A0A077ZCX0_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077ZCX0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 230 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
1M36.5Very low41.9Very low250 Ų250147.6 Ų147.6100%1.23275%0.748SS**  0101.40-85.4167.416400109.1
2R37.8Very low44Very low249 Ų249135.8 Ų135.894%0.9469%0.689SS**PPolyproline II helixtrans-90.4121.1167.4-72.7-171.1-173.2-176.33.5107
3R37.7Very low46.2Very low240 Ų240125.8 Ų125.891%0.90664%0.638SS**PPolyproline II helixtrans-65.2128.4170.5-74.7-166.1-84.9-156-2.5108.5F5R3-F5 PolarHBondContact O-N 2.97Å
4P45.1Very low48.2Very low113 Ų113120.4 Ų120.473%0.73461%0.611SS**PPolyproline II helixtrans-78.4120.9172.530.8-27.6000108.9D6P4-D6 PolarHBondContact O-N 3.15Å
5F42.4Very low50Low149 Ų149113.1 Ų113.165%0.65458%0.576SS**  trans14.7100.3154.9-55.5-83.8000116.8R3 V7 Y18R3-F5 PolarHBondContact O-N 2.97Å; F5-V7 VanDerWaalsContact C-N 3.26Å; F5-V7 HydrophobicContact CB-CG2 4.17Å; F5-V7 PolarHBondContact O-N 3.48Å; F5-Y18 HydrophobicContact CD1-CE1 4.41Å; F5-Y18 HydrophobicContact CE1-CE1 4.3Å; F5-Y18 AromaticContact CE1-CZ 3.99Å; F5-Y18 WeakPolarHBondContact CE1-OH 3.3Å
6D34.7Very low51.4Low152 Ų152110.2 Ų110.281%0.81357%0.568SS**  trans-69.790.3156.5-160.6-10.3000107.2P4 T8P4-D6 PolarHBondContact O-N 3.15Å; D6-T8 PolarHBondContact O-N 3.08Å; D6-T8 VanDerWaalsContact O-N 3.08Å
7V43.2Very low52.5Low70 Ų70106 Ų10642%0.42455%0.551SS.*  trans-72.3100.6176.8-171.80000106.3F5 L9 I14F5-V7 VanDerWaalsContact C-N 3.26Å; F5-V7 HydrophobicContact CB-CG2 4.17Å; F5-V7 PolarHBondContact O-N 3.48Å; V7-L9 PolarHBondContact O-N 3.4Å; V7-L9 VanDerWaalsContact O-N 3.12Å; V7-I14 HydrophobicContact CG1-CD1 3.94Å; V7-I14 HydrophobicContact CG1-CG1 3.8Å; V7-I14 HydrophobicContact CG2-CD1 3.88Å
8T34.8Very low53.3Low120 Ų120109 Ų10974%0.73656%0.555SS**  trans-51.7119.3178.4-32.80000109.3D6 A10D6-T8 PolarHBondContact O-N 3.08Å; D6-T8 VanDerWaalsContact O-N 3.08Å; T8-A10 PolarHBondContact O-N 3.31Å
9L38.4Very low54.8Low175 Ų175109.2 Ų109.292%0.91655%0.554SS**THydrogen-bonded Turntrans-52.817.4-170.1-95.1142.6000118.6V7V7-L9 PolarHBondContact O-N 3.4Å; V7-L9 VanDerWaalsContact O-N 3.12Å
10A51.2Low56.5Low75 Ų75106.4 Ų106.462%0.6254%0.54SS*.THydrogen-bonded Turntrans-107.3-9-171.700000115.3T8 M119T8-A10 PolarHBondContact O-N 3.31Å; A10-M119 VanDerWaalsContact O-SD 3.33Å
11A59.3Low58.1Low31 Ų31101.6 Ų101.626%0.25652%0.516SS..  trans-129.1125.2-179.200000111.3V13A11-V13 PolarHBondContact O-N 3.04Å
12V66.9Low60.7Low6 Ų694.5 Ų94.54%0.03648%0.475CS..SBendtrans-69.3-14.1174.1-153.10000112.1P40 T41 V45 F98 M119V12-P40 WeakPolarHBondContact O-CD 3.37Å; V12-T41 HydrophobicContact CG1-CG2 3.44Å; V12-T41 VanDerWaalsContact CG1-CG2 3.44Å; V12-V45 HydrophobicContact CB-CG1 4.13Å; V12-V45 HydrophobicContact CB-CG2 4.17Å; V12-V45 HydrophobicContact CG1-CB 4.46Å; V12-V45 HydrophobicContact CG1-CG1 4.23Å; V12-V45 HydrophobicContact CG1-CG2 3.37Å; V12-F98 HydrophobicContact CB-CZ 4.38Å; V12-F98 HydrophobicContact CG1-CD1 4Å; V12-F98 HydrophobicContact CG1-CE1 3.29Å; V12-F98 HydrophobicContact CG1-CE2 4.11Å; V12-F98 HydrophobicContact CG1-CZ 3.36Å; V12-F98 HydrophobicContact CG2-CD2 4.4Å; V12-F98 HydrophobicContact CG2-CE1 4.48Å; V12-F98 HydrophobicContact CG2-CE2 3.93Å; V12-F98 HydrophobicContact CG2-CZ 3.99Å; V12-M119 HydrophobicContact CB-SD 4.39Å; V12-M119 HydrophobicContact CG2-CE 3.63Å; V12-M119 HydrophobicContact CG2-CG 4.21Å; V12-M119 HydrophobicContact CG2-SD 3.2Å; V12-M119 WeakPolarHBondContact CG2-SD 3.32Å
13V72.5Confident63.2Low5 Ų582.7 Ų82.73%0.0343%0.431CS..SBendtrans-120.6121.7-178.3-179.50000109.6A11 L37 T38 V45 I66A11-V13 PolarHBondContact O-N 3.04Å; V13-L37 HydrophobicContact CG1-CB 3.53Å; V13-L37 HydrophobicContact CG1-CD1 4.44Å; V13-L37 HydrophobicContact CG1-CD2 3.85Å; V13-L37 HydrophobicContact CG1-CG 4.12Å; V13-T38 CarbonylContact C-O 3.55Å; V13-T38 WeakPolarHBondContact CA-O 3.45Å; V13-V45 HydrophobicContact CG2-CG1 3.63Å; V13-I66 HydrophobicContact CG1-CD1 4.43Å
14I74.9Confident65.6Low50 Ų5074.2 Ų74.226%0.25641%0.406SS..EExtended strand (participates in β ladder)trans-82.2129.8171.7-59.1172.8000108.2V7 L37 T38 P40V7-I14 HydrophobicContact CG1-CD1 3.94Å; V7-I14 HydrophobicContact CG1-CG1 3.8Å; V7-I14 HydrophobicContact CG2-CD1 3.88Å; I14-L37 WeakPolarHBondContact O-CA 3.25Å; I14-T38 PolarHBondContact N-O 3.34Å; I14-T38 PolarHBondContact O-N 2.7Å; I14-P40 HydrophobicContact CD1-CB 4.01Å; I14-P40 HydrophobicContact CD1-CG 3.84Å; I14-P40 HydrophobicContact CG1-CG 4.08Å
15C74.5Confident67.4Low12 Ų1269.3 Ų69.38%0.08138%0.376CS..EExtended strand (participates in β ladder)trans-99.8133.5176.5-153.30000109.9S17 L35 T36C15-S17 PolarHBondContact O-N 3.48Å; C15-S17 VanDerWaalsContact O-N 3.14Å; C15-L35 WeakPolarHBondContact SG-CD1 3.28Å; C15-L35 WeakPolarHBondContact SG-CG 3.24Å; C15-T36 WeakPolarHBondContact CA-O 3.31Å
16S72.4Confident69.5Low66 Ų6664.8 Ų64.846%0.46236%0.361SS..SBendtrans-61.5-21.717954.30000113.9T36S16-T36 PolarHBondContact N-O 2.89Å; S16-T36 PolarHBondContact OG-N 3Å; S16-T36 VanDerWaalsContact OG-N 3.08Å
17S70.8Confident71.9Confident39 Ų3957.7 Ų57.727%0.27332%0.323SS..SBendtrans-114.7119170.4-171.60000109.7C15 E19 L20C15-S17 PolarHBondContact O-N 3.48Å; C15-S17 VanDerWaalsContact O-N 3.14Å; S17-E19 PolarHBondContact O-N 3.21Å; S17-L20 WeakPolarHBondContact CB-O 3.38Å; S17-L20 PolarHBondContact OG-N 3.07Å; S17-L20 PolarHBondContact OG-O 3.37Å
18Y66.6Low73.7Confident160 Ų16057.6 Ų57.663%0.62733%0.325SS*.SBendtrans-68-4.9-166.6-54.1-81.9000114.8F5F5-Y18 HydrophobicContact CD1-CE1 4.41Å; F5-Y18 HydrophobicContact CE1-CE1 4.3Å; F5-Y18 AromaticContact CE1-CZ 3.99Å; F5-Y18 WeakPolarHBondContact CE1-OH 3.3Å
19E80.6Confident76.1Confident113 Ų11359.8 Ų59.853%0.52833%0.325SS..SBendtrans-176.9-3179.7-111.1172.5-131.700114.3S17 L123 R124S17-E19 PolarHBondContact O-N 3.21Å; E19-L123 CarbonylContact O-C 3.47Å; E19-L123 WeakPolarHBondContact O-CA 3.42Å; E19-R124 PolarHBondContact O-N 3.12Å; E19-R124 IonicContact OE2-NH2 3.56Å; E19-R124 PolarHBondContact OE2-NH2 2.81Å; E19-R124 VanDerWaalsContact OE2-NH2 3.12Å
20L88.7Confident78.5Confident53 Ų5355.5 Ų55.528%0.27731%0.305SS..EExtended strand (participates in β ladder)trans-135.9127.9-163.9-16077000113.5S17 R124 L126S17-L20 WeakPolarHBondContact CB-O 3.38Å; S17-L20 PolarHBondContact OG-N 3.07Å; S17-L20 PolarHBondContact OG-O 3.37Å; L20-R124 CarbonylContact C-O 3.57Å; L20-R124 VanDerWaalsContact CA-O 3.31Å; L20-R124 WeakPolarHBondContact CA-O 3.43Å; L20-R124 HydrophobicContact CD1-CB 3.99Å; L20-R124 WeakPolarHBondContact CD1-O 3.49Å; L20-L126 HydrophobicContact CD1-CB 3.88Å; L20-L126 HydrophobicContact CD2-CB 3.74Å; L20-L126 HydrophobicContact CD2-CD2 3.69Å; L20-L126 HydrophobicContact CD2-CG 4.35Å; L20-L126 HydrophobicContact CG-CB 3.9Å
21V90.7Very high80.4Confident5 Ų552.6 Ų52.63%0.0328%0.28CS..EExtended strand (participates in β ladder)trans-97.9111166.5178.60000107.9F23 T33 I76 F92 L123 R124 V125 L126V21-F23 HydrophobicContact CG1-CD2 4.18Å; V21-F23 HydrophobicContact CG1-CE2 3.54Å; V21-F23 HydrophobicContact CG1-CZ 4.07Å; V21-T33 HydrophobicContact CG1-CG2 3.41Å; V21-T33 VanDerWaalsContact CG1-CG2 3.41Å; V21-I76 HydrophobicContact CG1-CD1 3.89Å; V21-I76 HydrophobicContact CG2-CD1 4.04Å; V21-F92 HydrophobicContact CG2-CD2 4.27Å; V21-L123 HydrophobicContact CG2-CB 3.93Å; V21-L123 HydrophobicContact CG2-CD1 3.86Å; V21-R124 PolarHBondContact N-O 2.85Å; V21-V125 HydrophobicContact CB-CG2 4.49Å; V21-V125 WeakPolarHBondContact O-CA 3.37Å; V21-L126 PolarHBondContact O-N 2.52Å
22R90.4Very high82Confident102 Ų10257.3 Ų57.339%0.38530%0.297SS..EExtended strand (participates in β ladder)trans-97.4122.4-177.4-164.4169.9-146.6-82-4.8110.1V24 T33 L126 D128R22-V24 HydrophobicContact CG-CG2 4.48Å; R22-T33 VanDerWaalsContact O-CB 3.31Å; R22-T33 WeakPolarHBondContact O-CB 3.41Å; R22-T33 PolarHBondContact O-OG1 3.23Å; R22-L126 WeakPolarHBondContact CA-O 3.4Å; R22-L126 HydrophobicContact CG-CD2 4.27Å; R22-D128 IonicContact CZ-OD2 3.83Å; R22-D128 VanDerWaalsContact NH1-CG 3.3Å; R22-D128 IonicContact NH1-OD2 2.67Å; R22-D128 PolarHBondContact NH1-OD2 3.11Å; R22-D128 VanDerWaalsContact NH2-CG 3.26Å; R22-D128 IonicContact NH2-OD2 3.5Å; R22-D128 PolarHBondContact NH2-OD2 3.41Å
23F90.6Very high83.3Confident0 Ų058.4 Ų58.40%030%0.304CS..EExtended strand (participates in β ladder)trans-103.5129.6167.2-67.9-93.7000108.5V21 F27 V31 T33 Y57 I76 L78 V125 L126 F127 D128V21-F23 HydrophobicContact CG1-CD2 4.18Å; V21-F23 HydrophobicContact CG1-CE2 3.54Å; V21-F23 HydrophobicContact CG1-CZ 4.07Å; F23-F27 HydrophobicContact CB-CE1 3.81Å; F23-F27 HydrophobicContact CB-CZ 4.4Å; F23-V31 HydrophobicContact CB-CG1 4.17Å; F23-V31 HydrophobicContact CD1-CB 4.18Å; F23-V31 HydrophobicContact CD1-CG1 3.89Å; F23-T33 HydrophobicContact CD1-CG2 4.04Å; F23-T33 HydrophobicContact CD2-CG2 4.4Å; F23-T33 HydrophobicContact CE1-CG2 3.66Å; F23-T33 HydrophobicContact CE2-CG2 4.06Å; F23-T33 HydrophobicContact CG-CG2 4.4Å; F23-T33 HydrophobicContact CZ-CG2 3.67Å; F23-Y57 HydrophobicContact CE1-CE1 4.37Å; F23-Y57 HydrophobicContact CE2-CD1 4.41Å; F23-Y57 AromaticContact CE2-CE1 3.67Å; F23-Y57 HydrophobicContact CE2-CE1 3.67Å; F23-Y57 AromaticContact CZ-CD1 3.89Å; F23-Y57 HydrophobicContact CZ-CD1 3.89Å; F23-Y57 AromaticContact CZ-CE1 3.56Å; F23-Y57 HydrophobicContact CZ-CE1 3.56Å; F23-I76 HydrophobicContact CE1-CG2 4.41Å; F23-I76 HydrophobicContact CZ-CB 4.2Å; F23-I76 HydrophobicContact CZ-CG2 3.65Å; F23-L78 HydrophobicContact CD1-CB 3.93Å; F23-L78 HydrophobicContact CE1-CB 3.71Å; F23-L78 HydrophobicContact CZ-CB 4.3Å; F23-V125 HydrophobicContact CD2-CG1 3.68Å; F23-V125 HydrophobicContact CE2-CG1 3.82Å; F23-L126 PolarHBondContact N-O 3.48Å; F23-F127 HydrophobicContact CB-CD1 4.15Å; F23-F127 HydrophobicContact CD2-CD1 4.46Å; F23-F127 HydrophobicContact CD2-CE1 4.36Å; F23-D128 PolarHBondContact O-N 2.91Å
24V88.7Confident84.2Confident63 Ų6362.6 Ų62.638%0.38233%0.326SS..EExtended strand (participates in β ladder)trans-105.1128.6177.8-1770000107.5R22 V31 D128 S131R22-V24 HydrophobicContact CG-CG2 4.48Å; V24-V31 WeakPolarHBondContact O-CG1 3.43Å; V24-D128 HydrophobicContact CG2-CB 4.5Å; V24-S131 WeakPolarHBondContact CG1-OG 3.27Å
25G83.7Confident85.1Confident10 Ų1060.4 Ų60.410%0.10332%0.315CS..SBendtrans-58.9174.1176.300000113.2D128G25-D128 PolarHBondContact N-O 2.97Å
26P86.1Confident85.9Confident53 Ų5362.1 Ų62.134%0.34433%0.325SS..  cis-78.4137.613.330.1-35.5000113.2S28 V31P26-S28 PolarHBondContact O-N 3.31Å; P26-V31 WeakPolarHBondContact O-CG2 3.24Å
27F85.1Confident86.9Confident4 Ų459 Ų592%0.01830%0.303CS..THydrogen-bonded Turntrans-86.917.7178.7-57-73.1000113.8F23 K29 V31 L78 I81 P82 F127 D128 W129F23-F27 HydrophobicContact CB-CE1 3.81Å; F23-F27 HydrophobicContact CB-CZ 4.4Å; F27-K29 VanDerWaalsContact C-N 3.26Å; F27-V31 HydrophobicContact CD1-CG2 3.9Å; F27-V31 HydrophobicContact CE1-CG2 4.36Å; F27-L78 HydrophobicContact CD1-CD2 3.93Å; F27-L78 HydrophobicContact CE1-CD2 4.3Å; F27-I81 WeakPolarHBondContact O-CG1 3.31Å; F27-P82 HydrophobicContact CB-CG 4.33Å; F27-P82 HydrophobicContact CD1-CG 4.05Å; F27-P82 HydrophobicContact CG-CG 4.12Å; F27-F127 HydrophobicContact CD1-CD1 4.46Å; F27-F127 HydrophobicContact CE1-CB 4.26Å; F27-F127 AromaticContact CE1-CD1 3.81Å; F27-F127 HydrophobicContact CE1-CD1 3.81Å; F27-F127 HydrophobicContact CE2-CB 4.21Å; F27-F127 HydrophobicContact CZ-CB 3.72Å; F27-F127 HydrophobicContact CZ-CD1 4.16Å; F27-F127 HydrophobicContact CZ-CG 4.43Å; F27-D128 VanDerWaalsContact CE2-O 3.25Å; F27-D128 WeakPolarHBondContact CE2-O 3.29Å; F27-D128 WeakPolarHBondContact CZ-O 3.39Å; F27-W129 HydrophobicContact CB-CH2 4.19Å; F27-W129 HydrophobicContact CB-CZ3 4.02Å; F27-W129 AromaticContact CD2-CD2 3.61Å; F27-W129 HydrophobicContact CD2-CD2 3.61Å; F27-W129 AromaticContact CD2-CE2 3.95Å; F27-W129 AromaticContact CD2-CE3 3.32Å; F27-W129 HydrophobicContact CD2-CE3 3.32Å; F27-W129 HydrophobicContact CD2-CG 4.37Å; F27-W129 AromaticContact CD2-CH2 3.78Å; F27-W129 HydrophobicContact CD2-CH2 3.78Å; F27-W129 HydrophobicContact CD2-CZ2 4.07Å; F27-W129 AromaticContact CD2-CZ3 3.4Å; F27-W129 HydrophobicContact CD2-CZ3 3.4Å; F27-W129 HydrophobicContact CE2-CB 4.41Å; F27-W129 AromaticContact CE2-CD2 3.55Å; F27-W129 HydrophobicContact CE2-CD2 3.55Å; F27-W129 AromaticContact CE2-CE2 3.85Å; F27-W129 AromaticContact CE2-CE3 3.77Å; F27-W129 HydrophobicContact CE2-CE3 3.77Å; F27-W129 AromaticContact CE2-CG 3.87Å; F27-W129 HydrophobicContact CE2-CG 3.87Å; F27-W129 HydrophobicContact CE2-CH2 4.48Å; F27-W129 HydrophobicContact CE2-CZ2 4.34Å; F27-W129 HydrophobicContact CE2-CZ3 4.22Å; F27-W129 HydrophobicContact CG-CE3 4.38Å; F27-W129 HydrophobicContact CG-CH2 4.16Å; F27-W129 HydrophobicContact CG-CZ3 4.05Å
28S81.3Confident88Confident67 Ų6759.1 Ų59.147%0.46930%0.302SS..THydrogen-bonded Turntrans-80.8-8.6173.356.30000113P26P26-S28 PolarHBondContact O-N 3.31Å
29K83.8Confident89.3Confident166 Ų16651.5 Ų51.572%0.72227%0.272SS*.SBendtrans-136.9172-180-63-178.3-176.3174.30109.7F27 V31F27-K29 VanDerWaalsContact C-N 3.26Å; K29-V31 PolarHBondContact O-N 2.86Å
30V89Confident89.8Confident85 Ų8548.5 Ų48.552%0.51526%0.263SS..  trans-58.5120171.1178.40000109.1M77 L78V30-M77 HydrophobicContact CG1-CB 4.14Å; V30-L78 VanDerWaalsContact CA-O 3.27Å; V30-L78 WeakPolarHBondContact CA-O 3.01Å; V30-L78 WeakPolarHBondContact CG1-O 3.42Å
31V91.7Very high90Very high15 Ų1547.5 Ų47.59%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-102.9138.9176.2-177.20000108.5F23 V24 P26 F27 K29 M77 L78F23-V31 HydrophobicContact CB-CG1 4.17Å; F23-V31 HydrophobicContact CD1-CB 4.18Å; F23-V31 HydrophobicContact CD1-CG1 3.89Å; V24-V31 WeakPolarHBondContact O-CG1 3.43Å; P26-V31 WeakPolarHBondContact O-CG2 3.24Å; F27-V31 HydrophobicContact CD1-CG2 3.9Å; F27-V31 HydrophobicContact CE1-CG2 4.36Å; K29-V31 PolarHBondContact O-N 2.86Å; V31-M77 CarbonylContact O-C 3.54Å; V31-M77 WeakPolarHBondContact O-CA 3.22Å; V31-L78 PolarHBondContact N-O 3.17Å; V31-L78 PolarHBondContact O-N 3.47Å
32Q93.6Very high90Very high129 Ų12952.6 Ų52.660%0.60329%0.29SS*.EExtended strand (participates in β ladder)trans-120.8150.5175.367.6-178.8-1800111.9T75 I76 M77Q32-T75 HydrophobicContact CB-CG2 4.15Å; Q32-I76 CarbonylContact C-O 3.56Å; Q32-I76 VanDerWaalsContact CA-O 3.27Å; Q32-I76 WeakPolarHBondContact CA-O 3.25Å; Q32-M77 HydrophobicContact CB-CG 3.95Å
33T93.3Very high90.1Very high30 Ų3052.1 Ų52.118%0.18429%0.294CS..EExtended strand (participates in β ladder)trans-140.3151.4173.2-1690000109.4V21 R22 F23 I76V21-T33 HydrophobicContact CG1-CG2 3.41Å; V21-T33 VanDerWaalsContact CG1-CG2 3.41Å; R22-T33 VanDerWaalsContact O-CB 3.31Å; R22-T33 WeakPolarHBondContact O-CB 3.41Å; R22-T33 PolarHBondContact O-OG1 3.23Å; F23-T33 HydrophobicContact CD1-CG2 4.04Å; F23-T33 HydrophobicContact CD2-CG2 4.4Å; F23-T33 HydrophobicContact CE1-CG2 3.66Å; F23-T33 HydrophobicContact CE2-CG2 4.06Å; F23-T33 HydrophobicContact CG-CG2 4.4Å; F23-T33 HydrophobicContact CZ-CG2 3.67Å; T33-I76 HydrophobicContact CG2-CB 4.1Å; T33-I76 PolarHBondContact N-O 2.67Å; T33-I76 PolarHBondContact O-N 3.43Å
34N92.5Very high90.3Very high92 Ų9253.4 Ų53.449%0.49230%0.303SS..EExtended strand (participates in β ladder)trans-110.4136.2-176.8-68.4-43.8000110.5T75N34-T75 WeakPolarHBondContact OD1-CB 3.38Å; N34-T75 PolarHBondContact OD1-OG1 3.08Å
35L92.2Very high90.5Very high5 Ų550.4 Ų50.43%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-115.9120.2176-16869.7000108.4C15 L37 V74 I76 V94 L123C15-L35 WeakPolarHBondContact SG-CD1 3.28Å; C15-L35 WeakPolarHBondContact SG-CG 3.24Å; L35-L37 HydrophobicContact CD2-CD2 3.92Å; L35-L37 HydrophobicContact CG-CD2 4.15Å; L35-V74 HydrophobicContact CB-CB 4.29Å; L35-V74 PolarHBondContact N-O 3.07Å; L35-V74 PolarHBondContact O-N 3.28Å; L35-I76 HydrophobicContact CB-CD1 4.49Å; L35-V94 HydrophobicContact CD2-CG2 4.05Å; L35-L123 HydrophobicContact CD1-CD1 4.05Å; L35-L123 HydrophobicContact CD2-CD1 3.65Å; L35-L123 HydrophobicContact CG-CD1 4.48Å
36T92.9Very high91.1Very high48 Ų4850 Ų5029%0.29428%0.28SS..EExtended strand (participates in β ladder)trans-94.5123.3175.4-52.20000109C15 S16C15-T36 WeakPolarHBondContact CA-O 3.31Å; S16-T36 PolarHBondContact N-O 2.89Å; S16-T36 PolarHBondContact OG-N 3Å; S16-T36 VanDerWaalsContact OG-N 3.08Å
37L93.5Very high91.5Very high1 Ų147.4 Ų47.41%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-103.7116.1174.8-61.4-170.9000108.5V13 I14 L35 F47 I66 S71 M72 V74 V94V13-L37 HydrophobicContact CG1-CB 3.53Å; V13-L37 HydrophobicContact CG1-CD1 4.44Å; V13-L37 HydrophobicContact CG1-CD2 3.85Å; V13-L37 HydrophobicContact CG1-CG 4.12Å; I14-L37 WeakPolarHBondContact O-CA 3.25Å; L35-L37 HydrophobicContact CD2-CD2 3.92Å; L35-L37 HydrophobicContact CG-CD2 4.15Å; L37-F47 HydrophobicContact CD1-CB 4.25Å; L37-F47 HydrophobicContact CD1-CD1 4.42Å; L37-F47 HydrophobicContact CD1-CD2 3.5Å; L37-F47 VanDerWaalsContact CD1-CD2 3.5Å; L37-F47 HydrophobicContact CD1-CE2 3.91Å; L37-F47 HydrophobicContact CD1-CG 3.79Å; L37-I66 HydrophobicContact CB-CD1 3.57Å; L37-I66 HydrophobicContact CD1-CD1 4.46Å; L37-S71 CarbonylContact O-C 3.48Å; L37-S71 VanDerWaalsContact O-CA 3.22Å; L37-S71 WeakPolarHBondContact O-CA 3.38Å; L37-M72 HydrophobicContact CB-CB 4.47Å; L37-M72 PolarHBondContact N-O 2.79Å; L37-M72 PolarHBondContact O-N 2.91Å; L37-V74 HydrophobicContact CD1-CG2 3.82Å; L37-V74 HydrophobicContact CG-CG2 4.14Å; L37-V94 HydrophobicContact CD1-CG1 3.96Å; L37-V94 HydrophobicContact CD2-CG1 4.11Å; L37-V94 HydrophobicContact CD2-CG2 4.18Å
38T93.5Very high92Very high41 Ų4150.4 Ų50.425%0.25228%0.277SS..EExtended strand (participates in β ladder)trans-112.1131.6-178.3-60.90000110.4V13 I14 P40 S71V13-T38 CarbonylContact C-O 3.55Å; V13-T38 WeakPolarHBondContact CA-O 3.45Å; I14-T38 PolarHBondContact N-O 3.34Å; I14-T38 PolarHBondContact O-N 2.7Å; T38-P40 WeakPolarHBondContact O-CD 3.03Å; T38-S71 WeakPolarHBondContact CB-OG 3.13Å; T38-S71 WeakPolarHBondContact CG2-OG 3.45Å; T38-S71 PolarHBondContact OG1-OG 3.5Å
39N94.3Very high92.6Very high0 Ų047.8 Ų47.80%026%0.258CS..  trans-96.198.4173177.55.3000110T41 L43 V45 I66 H67 K69 E70N39-T41 PolarHBondContact O-N 3.07Å; N39-T41 WeakPolarHBondContact OD1-CB 3.46Å; N39-T41 PolarHBondContact OD1-N 3.08Å; N39-T41 PolarHBondContact OD1-OG1 2.55Å; N39-L43 PolarHBondContact ND2-O 3.35Å; N39-V45 WeakPolarHBondContact ND2-CG2 3.37Å; N39-I66 HydrophobicContact CB-CB 4.05Å; N39-I66 HydrophobicContact CB-CG2 3.58Å; N39-I66 PolarHBondContact ND2-O 3.01Å; N39-H67 PolarHBondContact ND2-O 3.34Å; N39-K69 WeakPolarHBondContact O-CA 3.31Å; N39-K69 PolarHBondContact O-N 3Å; N39-E70 PolarHBondContact N-O 3.43Å
40P91.1Very high93.1Very high50 Ų5043.6 Ų43.633%0.32524%0.239SC..  trans-76.6-2.7177.535.3-39.6000113.2V12 I14 T38 K69V12-P40 WeakPolarHBondContact O-CD 3.37Å; I14-P40 HydrophobicContact CD1-CB 4.01Å; I14-P40 HydrophobicContact CD1-CG 3.84Å; I14-P40 HydrophobicContact CG1-CG 4.08Å; T38-P40 WeakPolarHBondContact O-CD 3.03Å; P40-K69 WeakPolarHBondContact O-CE 3.18Å; P40-K69 PolarHBondContact O-NZ 3.37Å
41T91.5Very high93.4Very high31 Ų3141.3 Ų41.319%0.1923%0.226CC..SBendtrans-87.9-178.7-172.678.70000112.7V12 N39 L43 K69 F98V12-T41 HydrophobicContact CG1-CG2 3.44Å; V12-T41 VanDerWaalsContact CG1-CG2 3.44Å; N39-T41 PolarHBondContact O-N 3.07Å; N39-T41 WeakPolarHBondContact OD1-CB 3.46Å; N39-T41 PolarHBondContact OD1-N 3.08Å; N39-T41 PolarHBondContact OD1-OG1 2.55Å; T41-L43 PolarHBondContact OG1-N 3.44Å; T41-L43 PolarHBondContact OG1-O 3.26Å; T41-L43 VanDerWaalsContact OG1-O 3.07Å; T41-K69 WeakPolarHBondContact O-CE 3.32Å; T41-F98 HydrophobicContact CG2-CE1 3.99Å; T41-F98 HydrophobicContact CG2-CZ 4.18Å
42T92Very high93.5Very high112 Ų11245 Ų4569%0.68725%0.249SC*.SBendtrans-98.2-0.6175.851.70000113.1P68T42-P68 VanDerWaalsContact O-CG 3.28Å; T42-P68 WeakPolarHBondContact O-CG 3.48Å
43L92.4Very high93.4Very high92 Ų9239.3 Ų39.348%0.48222%0.223SC..SBendtrans-117.3150.9-178-63.6176.5000110.6N39 T41 F98N39-L43 PolarHBondContact ND2-O 3.35Å; T41-L43 PolarHBondContact OG1-N 3.44Å; T41-L43 PolarHBondContact OG1-O 3.26Å; T41-L43 VanDerWaalsContact OG1-O 3.07Å; L43-F98 HydrophobicContact CB-CD1 3.76Å; L43-F98 HydrophobicContact CB-CE1 4.08Å; L43-F98 HydrophobicContact CD1-CD1 4.07Å; L43-F98 HydrophobicContact CD1-CE1 4.33Å
44P93.5Very high93.4Very high28 Ų2842 Ų4218%0.18224%0.242CC..  trans-61.9144171.8-19.632.1000111.4V65 M99 T102P44-V65 HydrophobicContact CB-CG1 4.09Å; P44-M99 HydrophobicContact CB-CB 4.49Å; P44-M99 PolarHBondContact O-N 3.28Å; P44-T102 HydrophobicContact CB-CG2 3.94Å; P44-T102 HydrophobicContact CG-CG2 4.02Å
45V94.4Very high93.3Very high0 Ų044.5 Ų44.50%026%0.255CS..EExtended strand (participates in β ladder)trans-126.9124.5-178.4178.60000109.5V12 V13 N39 V65 I66 A97 F98V12-V45 HydrophobicContact CB-CG1 4.13Å; V12-V45 HydrophobicContact CB-CG2 4.17Å; V12-V45 HydrophobicContact CG1-CB 4.46Å; V12-V45 HydrophobicContact CG1-CG1 4.23Å; V12-V45 HydrophobicContact CG1-CG2 3.37Å; V13-V45 HydrophobicContact CG2-CG1 3.63Å; N39-V45 WeakPolarHBondContact ND2-CG2 3.37Å; V45-V65 CarbonylContact O-C 3.6Å; V45-V65 WeakPolarHBondContact O-CA 3.23Å; V45-I66 PolarHBondContact N-O 3.4Å; V45-I66 PolarHBondContact O-N 2.72Å; V45-A97 WeakPolarHBondContact CA-O 3.45Å; V45-F98 HydrophobicContact CG2-CD1 4.02Å; V45-F98 HydrophobicContact CG2-CE1 4.19Å
46C94.9Very high93.2Very high0 Ų045.8 Ų45.80%026%0.261CS..EExtended strand (participates in β ladder)trans-78.1144.7167.7-77.90000110G64 S96 A97 M99 L106 F109 W110C46-G64 CarbonylContact C-O 3.48Å; C46-G64 WeakPolarHBondContact CA-O 3.44Å; C46-S96 WeakPolarHBondContact O-CA 3.36Å; C46-A97 PolarHBondContact N-O 3.5Å; C46-A97 PolarHBondContact O-N 2.9Å; C46-A97 VanDerWaalsContact O-N 3.12Å; C46-M99 PolarHBondContact SG-SD 3.42Å; C46-L106 HydrophobicContact CB-CD2 4.23Å; C46-L106 WeakPolarHBondContact SG-CD2 3.46Å; C46-F109 HydrophobicContact CB-CD1 4.02Å; C46-F109 HydrophobicContact CB-CE1 3.53Å; C46-F109 HydrophobicContact CB-CZ 4.1Å; C46-W110 HydrophobicContact CB-CH2 3.92Å; C46-W110 HydrophobicContact CB-CZ2 3.75Å
47F94.9Very high93.3Very high0 Ų044.1 Ų44.10%025%0.249CC..EExtended strand (participates in β ladder)trans-131.7153168.875.3-83.2000111.8L37 V49 P61 A63 G64 I66 M72 V74 V94 Q95L37-F47 HydrophobicContact CD1-CB 4.25Å; L37-F47 HydrophobicContact CD1-CD1 4.42Å; L37-F47 HydrophobicContact CD1-CD2 3.5Å; L37-F47 VanDerWaalsContact CD1-CD2 3.5Å; L37-F47 HydrophobicContact CD1-CE2 3.91Å; L37-F47 HydrophobicContact CD1-CG 3.79Å; F47-V49 HydrophobicContact CD2-CG2 4.11Å; F47-V49 HydrophobicContact CE2-CG2 4.3Å; F47-P61 HydrophobicContact CE2-CG 4.49Å; F47-P61 HydrophobicContact CZ-CB 4.49Å; F47-P61 HydrophobicContact CZ-CG 3.91Å; F47-A63 WeakPolarHBondContact O-CA 3.43Å; F47-A63 WeakPolarHBondContact O-CB 3.25Å; F47-G64 VanDerWaalsContact CD1-O 3.25Å; F47-G64 WeakPolarHBondContact CD1-O 3.35Å; F47-G64 VanDerWaalsContact CE1-C 3.47Å; F47-G64 VanDerWaalsContact CE1-CA 3.43Å; F47-G64 PolarHBondContact N-O 3.13Å; F47-G64 PolarHBondContact O-N 2.88Å; F47-G64 VanDerWaalsContact O-N 3.07Å; F47-I66 HydrophobicContact CD1-CD1 3.8Å; F47-I66 HydrophobicContact CD1-CG1 3.64Å; F47-I66 HydrophobicContact CE1-CD1 4.2Å; F47-I66 HydrophobicContact CE1-CG1 3.86Å; F47-I66 HydrophobicContact CG-CD1 4.47Å; F47-M72 HydrophobicContact CE1-CB 4.44Å; F47-M72 HydrophobicContact CE1-CE 4.22Å; F47-M72 HydrophobicContact CE1-CG 3.91Å; F47-M72 HydrophobicContact CZ-CG 3.8Å; F47-V74 HydrophobicContact CE2-CG2 3.84Å; F47-V74 HydrophobicContact CZ-CG2 4.21Å; F47-V94 HydrophobicContact CB-CG1 4.45Å; F47-Q95 CarbonylContact C-O 3.58Å; F47-Q95 VanDerWaalsContact CA-O 3.22Å; F47-Q95 WeakPolarHBondContact CA-O 3.44Å
48K94.8Very high93.4Very high67 Ų6745.3 Ų45.329%0.29126%0.257SS..EExtended strand (participates in β ladder)trans-142.7128.1171.3-176.9170.4-175.3169.50109.7N62 A63 Q95 W110K48-N62 CarbonylContact C-O 3.51Å; K48-N62 WeakPolarHBondContact CA-O 3.39Å; K48-A63 HydrophobicContact CB-CB 4.38Å; K48-A63 HydrophobicContact CG-CB 4.39Å; K48-Q95 PolarHBondContact N-O 2.59Å; K48-Q95 PolarHBondContact O-N 3.24Å; K48-W110 HydrophobicContact CB-CH2 4.12Å; K48-W110 HydrophobicContact CB-CZ2 3.64Å
49V94.9Very high93.5Very high11 Ų1144.6 Ų44.67%0.06725%0.253CS..EExtended strand (participates in β ladder)trans-96.8125.8178-173.30000109.4F47 V59 N62 V74 F92 M93 V94F47-V49 HydrophobicContact CD2-CG2 4.11Å; F47-V49 HydrophobicContact CE2-CG2 4.3Å; V49-V59 HydrophobicContact CB-CG1 3.98Å; V49-V59 HydrophobicContact CG1-CG1 3.97Å; V49-V59 HydrophobicContact CG1-CG2 4.26Å; V49-V59 HydrophobicContact CG2-CG1 4.25Å; V49-N62 PolarHBondContact N-O 3.03Å; V49-V74 HydrophobicContact CG2-CG1 4.31Å; V49-F92 HydrophobicContact CG1-CD1 3.9Å; V49-M93 CarbonylContact C-O 3.58Å; V49-M93 WeakPolarHBondContact CA-O 3.39Å; V49-V94 HydrophobicContact CG2-CG2 4.46Å
50K95Very high93.7Very high79 Ų7952.1 Ų52.134%0.34328%0.281SS..EExtended strand (participates in β ladder)trans-118151.7176.4-62.7175.7-174.2165.90109.3F92 M93K50-F92 CarbonylContact O-C 3.56Å; K50-F92 VanDerWaalsContact O-CA 3.31Å; K50-F92 WeakPolarHBondContact O-CA 3.33Å; K50-M93 HydrophobicContact CB-CB 4.47Å; K50-M93 HydrophobicContact CD-CE 3.7Å; K50-M93 PolarHBondContact N-O 2.96Å; K50-M93 PolarHBondContact O-N 3.41Å
51T94.4Very high93.9Very high37 Ų3752.1 Ų52.123%0.22728%0.281CS..EExtended strand (participates in β ladder)trans-135.5150.4178.6179.10000110.9A53 P54 K91 F92T51-A53 PolarHBondContact O-N 2.95Å; T51-A53 PolarHBondContact OG1-N 3.32Å; T51-P54 HydrophobicContact CG2-CB 4.09Å; T51-K91 WeakPolarHBondContact CA-O 3.43Å; T51-F92 HydrophobicContact CG2-CE1 4.34Å
52T93.7Very high94.1Very high93 Ų9355.2 Ų55.257%0.57130%0.297SS*.SBendtrans-76.5-9172.157.10000113.3K91T52-K91 HydrophobicContact CG2-CB 3.94Å; T52-K91 PolarHBondContact N-O 2.99Å; T52-K91 PolarHBondContact OG1-N 3.25Å; T52-K91 PolarHBondContact OG1-O 2.92Å
53A91.8Very high94.3Very high9 Ų951.1 Ų51.17%0.07427%0.274CS..  trans-135.760.8-173.200000111.3T51 N55 E56 Y57T51-A53 PolarHBondContact O-N 2.95Å; T51-A53 PolarHBondContact OG1-N 3.32Å; A53-N55 PolarHBondContact O-N 3.01Å; A53-N55 VanDerWaalsContact O-N 3.14Å; A53-E56 HydrophobicContact CB-CB 4.33Å; A53-E56 HydrophobicContact CB-CG 3.84Å; A53-E56 PolarHBondContact O-N 3.33Å; A53-Y57 HydrophobicContact CB-CD2 3.99Å; A53-Y57 HydrophobicContact CB-CE2 3.85Å; A53-Y57 WeakPolarHBondContact O-CD2 3.31Å; A53-Y57 PolarHBondContact O-N 3.32Å
54P93Very high94.4Very high87 Ų8747.3 Ų47.357%0.56526%0.257SS*.THydrogen-bonded Turntrans-63.8-21.4-170.826.8-36.2000114.5T51 E56T51-P54 HydrophobicContact CG2-CB 4.09Å; P54-E56 VanDerWaalsContact C-N 3.28Å
55N90.5Very high94.5Very high144 Ų14447.8 Ų47.877%0.7726%0.26SS*.THydrogen-bonded Turntrans-76.1-19.8176.5-63-22.9000112.4A53 M80A53-N55 PolarHBondContact O-N 3.01Å; A53-N55 VanDerWaalsContact O-N 3.14Å; N55-M80 HydrophobicContact CB-CE 4.47Å; N55-M80 VanDerWaalsContact O-CE 3.24Å; N55-M80 WeakPolarHBondContact O-CE 3.43Å
56E91.3Very high94.6Very high32 Ų3247.9 Ų47.915%0.1526%0.26CS..THydrogen-bonded Turntrans-97.2-26-174.4-42.6-157.8-170.400113A53 P54 L78 H79 M80 H90A53-E56 HydrophobicContact CB-CB 4.33Å; A53-E56 HydrophobicContact CB-CG 3.84Å; A53-E56 PolarHBondContact O-N 3.33Å; P54-E56 VanDerWaalsContact C-N 3.28Å; E56-L78 HydrophobicContact CB-CD1 4.48Å; E56-H79 PolarHBondContact O-N 2.94Å; E56-M80 HydrophobicContact CB-CE 3.89Å; E56-M80 HydrophobicContact CB-CG 3.66Å; E56-M80 HydrophobicContact CB-SD 3.71Å; E56-M80 HydrophobicContact CG-CE 3.62Å; E56-M80 HydrophobicContact CG-CG 3.87Å; E56-M80 HydrophobicContact CG-SD 3.24Å; E56-M80 WeakPolarHBondContact CG-SD 3.45Å; E56-H90 IonicContact OE1-CE1 3.6Å; E56-H90 PolarHBondContact OE1-CE1 2.94Å; E56-H90 IonicContact OE1-NE2 3.33Å; E56-H90 IonicContact OE2-CE1 3.83Å; E56-H90 PolarHBondContact OE2-CE1 2.79Å; E56-H90 IonicContact OE2-ND1 3.5Å; E56-H90 PolarHBondContact OE2-ND1 3.41Å; E56-H90 IonicContact OE2-NE2 3.87Å
57Y94.2Very high94.5Very high12 Ų1252.1 Ų52.15%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-120.8142.5-172.3-60.6-79.7000111.8F23 A53 I76 M77 L78 H90 F92 F127F23-Y57 HydrophobicContact CE1-CE1 4.37Å; F23-Y57 HydrophobicContact CE2-CD1 4.41Å; F23-Y57 AromaticContact CE2-CE1 3.67Å; F23-Y57 HydrophobicContact CE2-CE1 3.67Å; F23-Y57 AromaticContact CZ-CD1 3.89Å; F23-Y57 HydrophobicContact CZ-CD1 3.89Å; F23-Y57 AromaticContact CZ-CE1 3.56Å; F23-Y57 HydrophobicContact CZ-CE1 3.56Å; A53-Y57 HydrophobicContact CB-CD2 3.99Å; A53-Y57 HydrophobicContact CB-CE2 3.85Å; A53-Y57 WeakPolarHBondContact O-CD2 3.31Å; A53-Y57 PolarHBondContact O-N 3.32Å; Y57-I76 HydrophobicContact CD1-CG2 4.07Å; Y57-M77 CarbonylContact C-O 3.59Å; Y57-M77 WeakPolarHBondContact CA-O 3.39Å; Y57-L78 HydrophobicContact CD1-CB 4.16Å; Y57-L78 HydrophobicContact CD1-CD1 3.99Å; Y57-L78 HydrophobicContact CE1-CB 3.99Å; Y57-L78 HydrophobicContact CE1-CD1 3.43Å; Y57-L78 VanDerWaalsContact CE1-CD1 3.43Å; Y57-L78 HydrophobicContact CE1-CG 4.27Å; Y57-H90 HydrophobicContact CE2-CB 3.92Å; Y57-H90 AromaticContact CE2-CG 3.86Å; Y57-H90 AromaticContact CE2-ND1 3.46Å; Y57-H90 WeakPolarHBondContact CE2-ND1 3.31Å; Y57-H90 AromaticContact CZ-ND1 3.61Å; Y57-H90 PolarHBondContact OH-ND1 2.91Å; Y57-F92 HydrophobicContact CD1-CE2 4.19Å; Y57-F92 AromaticContact CD1-CZ 3.71Å; Y57-F92 HydrophobicContact CD1-CZ 3.71Å; Y57-F92 HydrophobicContact CD2-CE2 4.29Å; Y57-F92 AromaticContact CD2-CZ 3.82Å; Y57-F92 HydrophobicContact CD2-CZ 3.82Å; Y57-F92 HydrophobicContact CE1-CE2 4.17Å; Y57-F92 HydrophobicContact CE1-CZ 4.17Å; Y57-F92 HydrophobicContact CE2-CE2 4.3Å; Y57-F92 HydrophobicContact CE2-CZ 4.29Å; Y57-F92 HydrophobicContact CG-CE1 4.45Å; Y57-F92 HydrophobicContact CG-CE2 4.25Å; Y57-F92 AromaticContact CG-CZ 3.52Å; Y57-F92 HydrophobicContact CG-CZ 3.52Å; Y57-F127 WeakPolarHBondContact OH-CZ 3.27Å
58S95.1Very high94.5Very high26 Ų2654.4 Ų54.418%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-115143157.766.50000110.9M77 H79S58-M77 PolarHBondContact N-O 3.23Å; S58-M77 PolarHBondContact O-N 2.97Å; S58-M77 WeakPolarHBondContact OG-CE 3.17Å; S58-H79 WeakPolarHBondContact CB-NE2 3.27Å; S58-H79 PolarHBondContact OG-CE1 3.31Å; S58-H79 PolarHBondContact OG-NE2 3.31Å
59V96.8Very high94.4Very high26 Ų2658.1 Ų58.116%0.15831%0.31CS..EExtended strand (participates in β ladder)trans-122.8129.1-177.2-174.60000108.8V49 N62 V74 T75 I76 F92V49-V59 HydrophobicContact CB-CG1 3.98Å; V49-V59 HydrophobicContact CG1-CG1 3.97Å; V49-V59 HydrophobicContact CG1-CG2 4.26Å; V49-V59 HydrophobicContact CG2-CG1 4.25Å; V59-N62 HydrophobicContact CB-CB 4.28Å; V59-N62 HydrophobicContact CG1-CB 4.5Å; V59-V74 HydrophobicContact CG1-CG1 3.32Å; V59-T75 WeakPolarHBondContact CA-O 3.38Å; V59-I76 HydrophobicContact CG1-CG1 4.39Å; V59-I76 HydrophobicContact CG2-CG1 4.44Å; V59-I76 HydrophobicContact CG2-CG2 4.31Å; V59-F92 HydrophobicContact CG2-CD1 4.49Å; V59-F92 HydrophobicContact CG2-CE1 3.76Å
60R96.7Very high94.4Very high159 Ų15962.4 Ų62.460%0.633%0.33SS*.EExtended strand (participates in β ladder)trans-136.7122.2-179.2-65.8-173-176.3134.21.5111.4T75 M77R60-T75 PolarHBondContact N-O 2.89Å; R60-T75 PolarHBondContact O-N 3.44Å; R60-M77 HydrophobicContact CB-CE 4.42Å; R60-M77 HydrophobicContact CG-CE 3.82Å; R60-M77 VanDerWaalsContact NH1-CE 3.29Å
61P97Very high94.4Very high49 Ų4962 Ų6232%0.31834%0.337SS..SBendcis-65.4146.3-19.829.6-35.7000111.6F47 M72 V74F47-P61 HydrophobicContact CE2-CG 4.49Å; F47-P61 HydrophobicContact CZ-CB 4.49Å; F47-P61 HydrophobicContact CZ-CG 3.91Å; P61-M72 HydrophobicContact CG-CG 4.23Å; P61-M72 HydrophobicContact CG-SD 4.05Å; P61-V74 HydrophobicContact CG-CG2 4.42Å
62N95.6Very high94.4Very high97 Ų9763 Ų6352%0.51934%0.34SS..SBendtrans-84.4-19.7174.668-24.8000113.1K48 V49 V59K48-N62 CarbonylContact C-O 3.51Å; K48-N62 WeakPolarHBondContact CA-O 3.39Å; V49-N62 PolarHBondContact N-O 3.03Å; V59-N62 HydrophobicContact CB-CB 4.28Å; V59-N62 HydrophobicContact CG1-CB 4.5Å
63A95.7Very high94.4Very high26 Ų2661.6 Ų61.622%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-150.8156.3173.700000110F47 K48 L106F47-A63 WeakPolarHBondContact O-CA 3.43Å; F47-A63 WeakPolarHBondContact O-CB 3.25Å; K48-A63 HydrophobicContact CB-CB 4.38Å; K48-A63 HydrophobicContact CG-CB 4.39Å; A63-L106 HydrophobicContact CB-CD1 4.38Å
64G95.2Very high94.6Very high12 Ų1261.2 Ų61.212%0.12433%0.33CS..EExtended strand (participates in β ladder)trans177.9-175.518000000112.6C46 F47C46-G64 CarbonylContact C-O 3.48Å; C46-G64 WeakPolarHBondContact CA-O 3.44Å; F47-G64 VanDerWaalsContact CD1-O 3.25Å; F47-G64 WeakPolarHBondContact CD1-O 3.35Å; F47-G64 VanDerWaalsContact CE1-C 3.47Å; F47-G64 VanDerWaalsContact CE1-CA 3.43Å; F47-G64 PolarHBondContact N-O 3.13Å; F47-G64 PolarHBondContact O-N 2.88Å; F47-G64 VanDerWaalsContact O-N 3.07Å
65V95.1Very high94.7Very high38 Ų3858.6 Ų58.623%0.2331%0.313CS..EExtended strand (participates in β ladder)trans-116.4136.6174-174.50000108.2P44 V45 M99 T102 L106P44-V65 HydrophobicContact CB-CG1 4.09Å; V45-V65 CarbonylContact O-C 3.6Å; V45-V65 WeakPolarHBondContact O-CA 3.23Å; V65-M99 HydrophobicContact CG1-SD 4.26Å; V65-M99 HydrophobicContact CG2-SD 3.7Å; V65-T102 HydrophobicContact CG1-CG2 4.4Å; V65-L106 HydrophobicContact CG2-CD2 3.97Å
66I95.4Very high94.9Very high2 Ų251.7 Ų51.71%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-112.9118174-47.9178.9000107.1V13 L37 N39 V45 F47 E70 M72V13-I66 HydrophobicContact CG1-CD1 4.43Å; L37-I66 HydrophobicContact CB-CD1 3.57Å; L37-I66 HydrophobicContact CD1-CD1 4.46Å; N39-I66 HydrophobicContact CB-CB 4.05Å; N39-I66 HydrophobicContact CB-CG2 3.58Å; N39-I66 PolarHBondContact ND2-O 3.01Å; V45-I66 PolarHBondContact N-O 3.4Å; V45-I66 PolarHBondContact O-N 2.72Å; F47-I66 HydrophobicContact CD1-CD1 3.8Å; F47-I66 HydrophobicContact CD1-CG1 3.64Å; F47-I66 HydrophobicContact CE1-CD1 4.2Å; F47-I66 HydrophobicContact CE1-CG1 3.86Å; F47-I66 HydrophobicContact CG-CD1 4.47Å; I66-E70 HydrophobicContact CG2-CB 4.18Å; I66-E70 WeakPolarHBondContact CG2-O 3.46Å; I66-M72 HydrophobicContact CD1-CB 3.85Å; I66-M72 HydrophobicContact CG1-CB 3.9Å
67H94.6Very high95.1Very high88 Ų8851.1 Ų51.141%0.40727%0.274SS..  trans-70162.7178.8-67.5-34000111.9N39 K69 E70N39-H67 PolarHBondContact ND2-O 3.34Å; H67-K69 PolarHBondContact O-N 3.03Å; H67-E70 HydrophobicContact CB-CB 4.49Å; H67-E70 HydrophobicContact CB-CG 4.11Å; H67-E70 WeakPolarHBondContact CB-OE2 3.32Å; H67-E70 IonicContact CD2-OE2 2.61Å; H67-E70 WeakPolarHBondContact O-CB 3.41Å; H67-E70 PolarHBondContact O-N 2.96Å; H67-E70 VanDerWaalsContact O-N 3.14Å
68P93.6Very high95.1Very high48 Ų4850.7 Ų50.731%0.31227%0.272SS..THydrogen-bonded Turntrans-51.6132.6178.4-27.835.6000112.1T42 E70T42-P68 VanDerWaalsContact O-CG 3.28Å; T42-P68 WeakPolarHBondContact O-CG 3.48Å; P68-E70 PolarHBondContact O-N 3.14Å; P68-E70 VanDerWaalsContact O-N 3.16Å
69K93.3Very high94.8Very high145 Ų14553.8 Ų53.863%0.6328%0.284SS*.THydrogen-bonded Turntrans63.212.7178.2-47-59.3-178.7172.60115.3N39 P40 T41 H67N39-K69 WeakPolarHBondContact O-CA 3.31Å; N39-K69 PolarHBondContact O-N 3Å; P40-K69 WeakPolarHBondContact O-CE 3.18Å; P40-K69 PolarHBondContact O-NZ 3.37Å; T41-K69 WeakPolarHBondContact O-CE 3.32Å; H67-K69 PolarHBondContact O-N 3.03Å
70E95.1Very high94.1Very high102 Ų10256.2 Ų56.248%0.47729%0.294SS..  trans-99.4168.9176.3-66.1-168.8173.900112.8N39 I66 H67 P68N39-E70 PolarHBondContact N-O 3.43Å; I66-E70 HydrophobicContact CG2-CB 4.18Å; I66-E70 WeakPolarHBondContact CG2-O 3.46Å; H67-E70 HydrophobicContact CB-CB 4.49Å; H67-E70 HydrophobicContact CB-CG 4.11Å; H67-E70 WeakPolarHBondContact CB-OE2 3.32Å; H67-E70 IonicContact CD2-OE2 2.61Å; H67-E70 WeakPolarHBondContact O-CB 3.41Å; H67-E70 PolarHBondContact O-N 2.96Å; H67-E70 VanDerWaalsContact O-N 3.14Å; P68-E70 PolarHBondContact O-N 3.14Å; P68-E70 VanDerWaalsContact O-N 3.16Å
71S93.9Very high93.3Very high71 Ų7154.4 Ų54.450%0.49730%0.295SS..EExtended strand (participates in β ladder)trans-130.8144.4174.5-60.50000111.2L37 T38L37-S71 CarbonylContact O-C 3.48Å; L37-S71 VanDerWaalsContact O-CA 3.22Å; L37-S71 WeakPolarHBondContact O-CA 3.38Å; T38-S71 WeakPolarHBondContact CB-OG 3.13Å; T38-S71 WeakPolarHBondContact CG2-OG 3.45Å; T38-S71 PolarHBondContact OG1-OG 3.5Å
72M94.6Very high92.2Very high58 Ų5852.3 Ų52.329%0.28628%0.281SS..EExtended strand (participates in β ladder)trans-117129.6177.4-179.171.673.100109.4L37 F47 P61 I66 V74L37-M72 HydrophobicContact CB-CB 4.47Å; L37-M72 PolarHBondContact N-O 2.79Å; L37-M72 PolarHBondContact O-N 2.91Å; F47-M72 HydrophobicContact CE1-CB 4.44Å; F47-M72 HydrophobicContact CE1-CE 4.22Å; F47-M72 HydrophobicContact CE1-CG 3.91Å; F47-M72 HydrophobicContact CZ-CG 3.8Å; P61-M72 HydrophobicContact CG-CG 4.23Å; P61-M72 HydrophobicContact CG-SD 4.05Å; I66-M72 HydrophobicContact CD1-CB 3.85Å; I66-M72 HydrophobicContact CG1-CB 3.9Å; M72-V74 HydrophobicContact CG-CG2 4.36Å
73S94.8Very high91.1Very high63 Ų6350 Ų5044%0.44127%0.272SS..EExtended strand (participates in β ladder)trans-89.5121.8171.7-171.50000109.8
74V95.4Very high89.8Confident0 Ų054.4 Ų54.40%029%0.292CS..EExtended strand (participates in β ladder)trans-108.7116.8175.5175.90000108.9L35 L37 F47 V49 V59 P61 M72 I76L35-V74 HydrophobicContact CB-CB 4.29Å; L35-V74 PolarHBondContact N-O 3.07Å; L35-V74 PolarHBondContact O-N 3.28Å; L37-V74 HydrophobicContact CD1-CG2 3.82Å; L37-V74 HydrophobicContact CG-CG2 4.14Å; F47-V74 HydrophobicContact CE2-CG2 3.84Å; F47-V74 HydrophobicContact CZ-CG2 4.21Å; V49-V74 HydrophobicContact CG2-CG1 4.31Å; V59-V74 HydrophobicContact CG1-CG1 3.32Å; P61-V74 HydrophobicContact CG-CG2 4.42Å; M72-V74 HydrophobicContact CG-CG2 4.36Å; V74-I76 HydrophobicContact CG1-CG1 4.42Å
75T95.5Very high88.6Confident32 Ų3261.3 Ų61.320%0.19632%0.321CS..EExtended strand (participates in β ladder)trans-90.1125.6175.5-570000109.9Q32 N34 V59 R60 M77Q32-T75 HydrophobicContact CB-CG2 4.15Å; N34-T75 WeakPolarHBondContact OD1-CB 3.38Å; N34-T75 PolarHBondContact OD1-OG1 3.08Å; V59-T75 WeakPolarHBondContact CA-O 3.38Å; R60-T75 PolarHBondContact N-O 2.89Å; R60-T75 PolarHBondContact O-N 3.44Å; T75-M77 HydrophobicContact CG2-CG 4.21Å
76I95.2Very high87.3Confident0 Ų061.2 Ų61.20%032%0.319CS..EExtended strand (participates in β ladder)trans-109.2121.2174.9-51.4174.7000107.6V21 F23 Q32 T33 L35 Y57 V59 V74 F92V21-I76 HydrophobicContact CG1-CD1 3.89Å; V21-I76 HydrophobicContact CG2-CD1 4.04Å; F23-I76 HydrophobicContact CE1-CG2 4.41Å; F23-I76 HydrophobicContact CZ-CB 4.2Å; F23-I76 HydrophobicContact CZ-CG2 3.65Å; Q32-I76 CarbonylContact C-O 3.56Å; Q32-I76 VanDerWaalsContact CA-O 3.27Å; Q32-I76 WeakPolarHBondContact CA-O 3.25Å; T33-I76 HydrophobicContact CG2-CB 4.1Å; T33-I76 PolarHBondContact N-O 2.67Å; T33-I76 PolarHBondContact O-N 3.43Å; L35-I76 HydrophobicContact CB-CD1 4.49Å; Y57-I76 HydrophobicContact CD1-CG2 4.07Å; V59-I76 HydrophobicContact CG1-CG1 4.39Å; V59-I76 HydrophobicContact CG2-CG1 4.44Å; V59-I76 HydrophobicContact CG2-CG2 4.31Å; V74-I76 HydrophobicContact CG1-CG1 4.42Å; I76-F92 HydrophobicContact CD1-CD1 4.33Å; I76-F92 HydrophobicContact CD1-CE1 4.27Å; I76-F92 HydrophobicContact CD1-CG 4.47Å; I76-F92 HydrophobicContact CD1-CZ 4.38Å; I76-F92 HydrophobicContact CG2-CE1 3.82Å; I76-F92 HydrophobicContact CG2-CE2 4.06Å; I76-F92 HydrophobicContact CG2-CZ 3.37Å
77M94.7Very high85.7Confident20 Ų2064.8 Ų64.810%0.09934%0.335CS..EExtended strand (participates in β ladder)trans-109.5131.6178.1-65163-78.800109.5V30 V31 Q32 Y57 S58 R60 T75V30-M77 HydrophobicContact CG1-CB 4.14Å; V31-M77 CarbonylContact O-C 3.54Å; V31-M77 WeakPolarHBondContact O-CA 3.22Å; Q32-M77 HydrophobicContact CB-CG 3.95Å; Y57-M77 CarbonylContact C-O 3.59Å; Y57-M77 WeakPolarHBondContact CA-O 3.39Å; S58-M77 PolarHBondContact N-O 3.23Å; S58-M77 PolarHBondContact O-N 2.97Å; S58-M77 WeakPolarHBondContact OG-CE 3.17Å; R60-M77 HydrophobicContact CB-CE 4.42Å; R60-M77 HydrophobicContact CG-CE 3.82Å; R60-M77 VanDerWaalsContact NH1-CE 3.29Å; T75-M77 HydrophobicContact CG2-CG 4.21Å
78L93.5Very high84.4Confident2 Ų265.5 Ų65.51%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-95.9119.3172.2173.270.2000108.9F23 F27 V30 V31 E56 Y57 M80 P82 F127F23-L78 HydrophobicContact CD1-CB 3.93Å; F23-L78 HydrophobicContact CE1-CB 3.71Å; F23-L78 HydrophobicContact CZ-CB 4.3Å; F27-L78 HydrophobicContact CD1-CD2 3.93Å; F27-L78 HydrophobicContact CE1-CD2 4.3Å; V30-L78 VanDerWaalsContact CA-O 3.27Å; V30-L78 WeakPolarHBondContact CA-O 3.01Å; V30-L78 WeakPolarHBondContact CG1-O 3.42Å; V31-L78 PolarHBondContact N-O 3.17Å; V31-L78 PolarHBondContact O-N 3.47Å; E56-L78 HydrophobicContact CB-CD1 4.48Å; Y57-L78 HydrophobicContact CD1-CB 4.16Å; Y57-L78 HydrophobicContact CD1-CD1 3.99Å; Y57-L78 HydrophobicContact CE1-CB 3.99Å; Y57-L78 HydrophobicContact CE1-CD1 3.43Å; Y57-L78 VanDerWaalsContact CE1-CD1 3.43Å; Y57-L78 HydrophobicContact CE1-CG 4.27Å; L78-M80 WeakPolarHBondContact CG-O 3.14Å; L78-P82 HydrophobicContact CD2-CG 4.11Å; L78-F127 HydrophobicContact CD1-CE1 4.17Å; L78-F127 HydrophobicContact CD2-CD1 4.13Å; L78-F127 HydrophobicContact CD2-CE1 3.61Å
79H89.2Confident84Confident92 Ų9268.8 Ų68.843%0.42635%0.351SS..  trans-94.8-23.7-174.4-69.6-58.6000114.9E56 S58E56-H79 PolarHBondContact O-N 2.94Å; S58-H79 WeakPolarHBondContact CB-NE2 3.27Å; S58-H79 PolarHBondContact OG-CE1 3.31Å; S58-H79 PolarHBondContact OG-NE2 3.31Å
80M82.1Confident83.9Confident77 Ų7762.5 Ų62.538%0.37932%0.324SS..SBendtrans-115.3153.8-178.658.3-176.971.600112N55 E56 L78 P82N55-M80 HydrophobicContact CB-CE 4.47Å; N55-M80 VanDerWaalsContact O-CE 3.24Å; N55-M80 WeakPolarHBondContact O-CE 3.43Å; E56-M80 HydrophobicContact CB-CE 3.89Å; E56-M80 HydrophobicContact CB-CG 3.66Å; E56-M80 HydrophobicContact CB-SD 3.71Å; E56-M80 HydrophobicContact CG-CE 3.62Å; E56-M80 HydrophobicContact CG-CG 3.87Å; E56-M80 HydrophobicContact CG-SD 3.24Å; E56-M80 WeakPolarHBondContact CG-SD 3.45Å; L78-M80 WeakPolarHBondContact CG-O 3.14Å; M80-P82 VanDerWaalsContact O-CD 3.31Å; M80-P82 WeakPolarHBondContact O-CD 3.39Å
81I79.8Confident83.8Confident121 Ų12163 Ų6362%0.62132%0.324SS*.  trans-70.3113.6176.1-50.8-175.4000106.6F27 S83F27-I81 WeakPolarHBondContact O-CG1 3.31Å; I81-S83 PolarHBondContact O-N 3.01Å
82P73.3Confident83.8Confident4 Ų459.7 Ų59.73%0.02630%0.301CS..  trans-65.4134-178.723.1-24.3000108.8F27 L78 M80 F127 W129F27-P82 HydrophobicContact CB-CG 4.33Å; F27-P82 HydrophobicContact CD1-CG 4.05Å; F27-P82 HydrophobicContact CG-CG 4.12Å; L78-P82 HydrophobicContact CD2-CG 4.11Å; M80-P82 VanDerWaalsContact O-CD 3.31Å; M80-P82 WeakPolarHBondContact O-CD 3.39Å; P82-F127 HydrophobicContact CB-CD1 4.16Å; P82-F127 HydrophobicContact CB-CD2 4.18Å; P82-F127 HydrophobicContact CB-CE1 3.83Å; P82-F127 HydrophobicContact CB-CE2 3.83Å; P82-F127 HydrophobicContact CB-CG 4.3Å; P82-F127 HydrophobicContact CB-CZ 3.62Å; P82-F127 HydrophobicContact CG-CD1 3.77Å; P82-F127 HydrophobicContact CG-CD2 4.49Å; P82-F127 HydrophobicContact CG-CE1 3.79Å; P82-F127 HydrophobicContact CG-CE2 4.48Å; P82-F127 HydrophobicContact CG-CG 4.12Å; P82-F127 HydrophobicContact CG-CZ 4.12Å; P82-W129 HydrophobicContact CB-CZ2 4.2Å; P82-W129 HydrophobicContact CG-CH2 3.77Å; P82-W129 HydrophobicContact CG-CZ2 3.62Å; P82-W129 VanDerWaalsContact O-CH2 3.28Å; P82-W129 WeakPolarHBondContact O-CH2 3.32Å
83S72.8Confident83.7Confident48 Ų4858.6 Ų58.634%0.33630%0.296SS..  trans-69.1155.6174.582.90000109.8I81 E85 D86I81-S83 PolarHBondContact O-N 3.01Å; S83-E85 PolarHBondContact O-N 2.61Å; S83-E85 VanDerWaalsContact O-N 3.13Å; S83-E85 PolarHBondContact OG-N 3.45Å; S83-D86 VanDerWaalsContact CB-OD2 3.29Å; S83-D86 WeakPolarHBondContact CB-OD2 3.44Å; S83-D86 PolarHBondContact N-OD2 3.01Å; S83-D86 PolarHBondContact O-N 3.2Å; S83-D86 PolarHBondContact OG-N 2.87Å; S83-D86 PolarHBondContact OG-OD2 3.33Å
84L67.9Low83.7Confident120 Ų12055.7 Ų55.763%0.62828%0.275SS*.G310 helixtrans-59.5-25.3175.5-129.583.7000112K87L84-K87 HydrophobicContact CG-CD 4.14Å; L84-K87 WeakPolarHBondContact O-CB 3.48Å; L84-K87 VanDerWaalsContact O-CD 3.31Å; L84-K87 WeakPolarHBondContact O-CD 3.31Å; L84-K87 WeakPolarHBondContact O-CG 3.49Å
85E70.4Confident83.6Confident157 Ų15756.5 Ų56.573%0.73428%0.279SS*.G310 helixtrans-78.4-20.8178.2-60.2-175.8174.800112.7S83 K87 K89S83-E85 PolarHBondContact O-N 2.61Å; S83-E85 VanDerWaalsContact O-N 3.13Å; S83-E85 PolarHBondContact OG-N 3.45Å; E85-K87 PolarHBondContact O-N 3.5Å; E85-K89 WeakPolarHBondContact O-CE 3.39Å; E85-K89 PolarHBondContact O-NZ 2.91Å
86D68.2Low83.5Confident36 Ų3655 Ų5519%0.19327%0.27CS..G310 helixtrans-86.43.6-178.4-61.6-37.1000113.4S83 N88 K89S83-D86 VanDerWaalsContact CB-OD2 3.29Å; S83-D86 WeakPolarHBondContact CB-OD2 3.44Å; S83-D86 PolarHBondContact N-OD2 3.01Å; S83-D86 PolarHBondContact O-N 3.2Å; S83-D86 PolarHBondContact OG-N 2.87Å; S83-D86 PolarHBondContact OG-OD2 3.33Å; D86-N88 PolarHBondContact O-N 3.01Å; D86-K89 PolarHBondContact O-N 3.46Å; D86-K89 IonicContact OD1-NZ 3.08Å; D86-K89 PolarHBondContact OD1-NZ 2.79Å
87K61.9Low83.5Confident77 Ų7755.1 Ų55.134%0.33527%0.27SS..THydrogen-bonded Turntrans-49.4-16.6-162.4-95.2-179.6170.7177.80117.3L84 E85 W129L84-K87 HydrophobicContact CG-CD 4.14Å; L84-K87 WeakPolarHBondContact O-CB 3.48Å; L84-K87 VanDerWaalsContact O-CD 3.31Å; L84-K87 WeakPolarHBondContact O-CD 3.31Å; L84-K87 WeakPolarHBondContact O-CG 3.49Å; E85-K87 PolarHBondContact O-N 3.5Å; K87-W129 VanDerWaalsContact CE-NE1 3.33Å
88N67.3Low83.4Confident102 Ų10258.2 Ų58.255%0.54528%0.284SS..THydrogen-bonded Turntrans-153.625.2171.1-68.9-58.8000113.6D86 V125D86-N88 PolarHBondContact O-N 3.01Å; N88-V125 PolarHBondContact OD1-O 3.35Å
89K85.5Confident83.3Confident117 Ų11758.2 Ų58.251%0.50928%0.283SS..THydrogen-bonded Turntrans-81.2-31.7-173.6-68.3-179.9-171.2153.50112.9E85 D86E85-K89 WeakPolarHBondContact O-CE 3.39Å; E85-K89 PolarHBondContact O-NZ 2.91Å; D86-K89 PolarHBondContact O-N 3.46Å; D86-K89 IonicContact OD1-NZ 3.08Å; D86-K89 PolarHBondContact OD1-NZ 2.79Å
90H91.4Very high83.2Confident13 Ų1360 Ų606%0.0631%0.307CS..  trans-75.8141-170.6-55.2156.4000111.7E56 Y57 V125 F127E56-H90 IonicContact OE1-CE1 3.6Å; E56-H90 PolarHBondContact OE1-CE1 2.94Å; E56-H90 IonicContact OE1-NE2 3.33Å; E56-H90 IonicContact OE2-CE1 3.83Å; E56-H90 PolarHBondContact OE2-CE1 2.79Å; E56-H90 IonicContact OE2-ND1 3.5Å; E56-H90 PolarHBondContact OE2-ND1 3.41Å; E56-H90 IonicContact OE2-NE2 3.87Å; Y57-H90 HydrophobicContact CE2-CB 3.92Å; Y57-H90 AromaticContact CE2-CG 3.86Å; Y57-H90 AromaticContact CE2-ND1 3.46Å; Y57-H90 WeakPolarHBondContact CE2-ND1 3.31Å; Y57-H90 AromaticContact CZ-ND1 3.61Å; Y57-H90 PolarHBondContact OH-ND1 2.91Å; H90-V125 HydrophobicContact CB-CB 4.04Å; H90-V125 HydrophobicContact CB-CG2 3.81Å; H90-V125 WeakPolarHBondContact O-CB 3.31Å; H90-V125 WeakPolarHBondContact O-CG2 3.49Å; H90-V125 PolarHBondContact O-N 3.49Å; H90-F127 AromaticContact ND1-CZ 3.86Å
91K93.1Very high83.5Confident112 Ų11259.9 Ų59.949%0.48731%0.307SS..EExtended strand (participates in β ladder)trans-130.9140.5179.2-60.8177.1-176.8177.20109.6T51 T52 L123T51-K91 WeakPolarHBondContact CA-O 3.43Å; T52-K91 HydrophobicContact CG2-CB 3.94Å; T52-K91 PolarHBondContact N-O 2.99Å; T52-K91 PolarHBondContact OG1-N 3.25Å; T52-K91 PolarHBondContact OG1-O 2.92Å; K91-L123 CarbonylContact C-O 3.57Å; K91-L123 VanDerWaalsContact CA-O 3.32Å; K91-L123 WeakPolarHBondContact CA-O 3.22Å
92F93.8Very high84Confident2 Ų257.9 Ų57.91%0.00930%0.301CS..EExtended strand (participates in β ladder)trans-105.1154.4166.1-75-89.7000109.7V21 V49 K50 T51 Y57 V59 I76 K122 L123 V125V21-F92 HydrophobicContact CG2-CD2 4.27Å; V49-F92 HydrophobicContact CG1-CD1 3.9Å; K50-F92 CarbonylContact O-C 3.56Å; K50-F92 VanDerWaalsContact O-CA 3.31Å; K50-F92 WeakPolarHBondContact O-CA 3.33Å; T51-F92 HydrophobicContact CG2-CE1 4.34Å; Y57-F92 HydrophobicContact CD1-CE2 4.19Å; Y57-F92 AromaticContact CD1-CZ 3.71Å; Y57-F92 HydrophobicContact CD1-CZ 3.71Å; Y57-F92 HydrophobicContact CD2-CE2 4.29Å; Y57-F92 AromaticContact CD2-CZ 3.82Å; Y57-F92 HydrophobicContact CD2-CZ 3.82Å; Y57-F92 HydrophobicContact CE1-CE2 4.17Å; Y57-F92 HydrophobicContact CE1-CZ 4.17Å; Y57-F92 HydrophobicContact CE2-CE2 4.3Å; Y57-F92 HydrophobicContact CE2-CZ 4.29Å; Y57-F92 HydrophobicContact CG-CE1 4.45Å; Y57-F92 HydrophobicContact CG-CE2 4.25Å; Y57-F92 AromaticContact CG-CZ 3.52Å; Y57-F92 HydrophobicContact CG-CZ 3.52Å; V59-F92 HydrophobicContact CG2-CD1 4.49Å; V59-F92 HydrophobicContact CG2-CE1 3.76Å; I76-F92 HydrophobicContact CD1-CD1 4.33Å; I76-F92 HydrophobicContact CD1-CE1 4.27Å; I76-F92 HydrophobicContact CD1-CG 4.47Å; I76-F92 HydrophobicContact CD1-CZ 4.38Å; I76-F92 HydrophobicContact CG2-CE1 3.82Å; I76-F92 HydrophobicContact CG2-CE2 4.06Å; I76-F92 HydrophobicContact CG2-CZ 3.37Å; F92-K122 CarbonylContact O-C 3.52Å; F92-K122 WeakPolarHBondContact O-CA 3.19Å; F92-L123 HydrophobicContact CB-CB 4.23Å; F92-L123 PolarHBondContact N-O 2.83Å; F92-L123 PolarHBondContact O-N 2.8Å; F92-V125 HydrophobicContact CD2-CG2 3.52Å; F92-V125 HydrophobicContact CE2-CG2 3.51Å
93M92.8Very high84.8Confident36 Ų3662 Ų6218%0.17733%0.33CS..EExtended strand (participates in β ladder)trans-135.6124.5172.2-172.9174.176.900108.9V49 K50 D120 T121 K122V49-M93 CarbonylContact C-O 3.58Å; V49-M93 WeakPolarHBondContact CA-O 3.39Å; K50-M93 HydrophobicContact CB-CB 4.47Å; K50-M93 HydrophobicContact CD-CE 3.7Å; K50-M93 PolarHBondContact N-O 2.96Å; K50-M93 PolarHBondContact O-N 3.41Å; M93-D120 HydrophobicContact CG-CB 4.08Å; M93-D120 HydrophobicContact SD-CB 3.89Å; M93-T121 CarbonylContact C-O 3.6Å; M93-T121 VanDerWaalsContact CA-O 3.31Å; M93-T121 WeakPolarHBondContact CA-O 3.5Å; M93-K122 HydrophobicContact CG-CG 4.18Å; M93-K122 HydrophobicContact SD-CG 4.42Å
94V93.8Very high85.7Confident1 Ų162.7 Ų62.71%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-96.3105.8170.2-176.60000106.8L35 L37 F47 V49 T121 L123L35-V94 HydrophobicContact CD2-CG2 4.05Å; L37-V94 HydrophobicContact CD1-CG1 3.96Å; L37-V94 HydrophobicContact CD2-CG1 4.11Å; L37-V94 HydrophobicContact CD2-CG2 4.18Å; F47-V94 HydrophobicContact CB-CG1 4.45Å; V49-V94 HydrophobicContact CG2-CG2 4.46Å; V94-T121 PolarHBondContact N-O 3.01Å; V94-T121 PolarHBondContact O-N 3.09Å; V94-L123 HydrophobicContact CG2-CD1 4.14Å
95Q93.3Very high86.9Confident18 Ų1860.8 Ų60.88%0.08432%0.324CS..EExtended strand (participates in β ladder)trans-89.3136.1172.4-179.3159.183.900108.8F47 K48 W110 L118 M119 D120F47-Q95 CarbonylContact C-O 3.58Å; F47-Q95 VanDerWaalsContact CA-O 3.22Å; F47-Q95 WeakPolarHBondContact CA-O 3.44Å; K48-Q95 PolarHBondContact N-O 2.59Å; K48-Q95 PolarHBondContact O-N 3.24Å; Q95-W110 HydrophobicContact CG-CH2 4.45Å; Q95-W110 HydrophobicContact CG-CZ3 3.96Å; Q95-L118 HydrophobicContact CG-CB 4.38Å; Q95-M119 CarbonylContact C-O 3.57Å; Q95-M119 WeakPolarHBondContact CA-O 3.42Å; Q95-D120 WeakPolarHBondContact CB-OD1 3.39Å; Q95-D120 WeakPolarHBondContact CG-OD1 3.45Å; Q95-D120 PolarHBondContact NE2-OD1 3.14Å
96S94.1Very high88Confident0 Ų055.4 Ų55.40%030%0.3CS..EExtended strand (participates in β ladder)trans-141153.1-176.961.20000112C46 M119C46-S96 WeakPolarHBondContact O-CA 3.36Å; S96-M119 PolarHBondContact N-O 2.83Å; S96-M119 PolarHBondContact O-N 3.4Å; S96-M119 PolarHBondContact OG-O 2.91Å
97A94Very high89.1Confident2 Ų259.2 Ų59.22%0.01732%0.32CS..EExtended strand (participates in β ladder)trans-157.3153.5174.200000110.3V45 C46 F109 W110 T113 L118V45-A97 WeakPolarHBondContact CA-O 3.45Å; C46-A97 PolarHBondContact N-O 3.5Å; C46-A97 PolarHBondContact O-N 2.9Å; C46-A97 VanDerWaalsContact O-N 3.12Å; A97-F109 HydrophobicContact CB-CE1 3.97Å; A97-F109 HydrophobicContact CB-CZ 3.74Å; A97-W110 HydrophobicContact CB-CZ3 4.44Å; A97-T113 HydrophobicContact CB-CG2 4.21Å; A97-L118 HydrophobicContact CB-CD2 3.9Å
98F93.7Very high90.6Very high85 Ų8559.6 Ų59.637%0.37333%0.326SS..EExtended strand (participates in β ladder)trans-66.6138.8173.1-71-68.7000110.8V12 T41 L43 V45 F109 M119V12-F98 HydrophobicContact CB-CZ 4.38Å; V12-F98 HydrophobicContact CG1-CD1 4Å; V12-F98 HydrophobicContact CG1-CE1 3.29Å; V12-F98 HydrophobicContact CG1-CE2 4.11Å; V12-F98 HydrophobicContact CG1-CZ 3.36Å; V12-F98 HydrophobicContact CG2-CD2 4.4Å; V12-F98 HydrophobicContact CG2-CE1 4.48Å; V12-F98 HydrophobicContact CG2-CE2 3.93Å; V12-F98 HydrophobicContact CG2-CZ 3.99Å; T41-F98 HydrophobicContact CG2-CE1 3.99Å; T41-F98 HydrophobicContact CG2-CZ 4.18Å; L43-F98 HydrophobicContact CB-CD1 3.76Å; L43-F98 HydrophobicContact CB-CE1 4.08Å; L43-F98 HydrophobicContact CD1-CD1 4.07Å; L43-F98 HydrophobicContact CD1-CE1 4.33Å; V45-F98 HydrophobicContact CG2-CD1 4.02Å; V45-F98 HydrophobicContact CG2-CE1 4.19Å; F98-F109 WeakPolarHBondContact O-CE2 3.2Å; F98-F109 VanDerWaalsContact O-CZ 3.32Å; F98-F109 WeakPolarHBondContact O-CZ 3.46Å; F98-M119 HydrophobicContact CE2-CE 4.42Å
99M90.4Very high91.9Very high2 Ų255.4 Ų55.41%0.0130%0.303CS..  trans-115.7106.5176.8-169.6-177.6-153.500109.4P44 C46 V65 D101 T102 I104 F109P44-M99 HydrophobicContact CB-CB 4.49Å; P44-M99 PolarHBondContact O-N 3.28Å; C46-M99 PolarHBondContact SG-SD 3.42Å; V65-M99 HydrophobicContact CG1-SD 4.26Å; V65-M99 HydrophobicContact CG2-SD 3.7Å; M99-D101 VanDerWaalsContact CE-O 3.27Å; M99-D101 WeakPolarHBondContact CE-O 3.37Å; M99-D101 WeakPolarHBondContact CG-O 3.4Å; M99-T102 HydrophobicContact CG-CG2 4.5Å; M99-T102 HydrophobicContact SD-CG2 4.01Å; M99-I104 HydrophobicContact CE-CB 4.36Å; M99-I104 WeakPolarHBondContact CE-O 3.07Å; M99-F109 HydrophobicContact CB-CE2 4.16Å; M99-F109 HydrophobicContact CB-CZ 4.46Å; M99-F109 HydrophobicContact CE-CD2 4.5Å; M99-F109 HydrophobicContact CG-CD2 4.2Å; M99-F109 HydrophobicContact CG-CE2 4.11Å
100S86.9Confident92.3Very high130 Ų13051.6 Ų51.691%0.90929%0.286SS*.SBendtrans-72.9-34.1178.3-520000112.6
101D90Very high92.3Very high74 Ų7459.1 Ų59.140%0.39632%0.318SS..  trans-127.2107.3-178.9-178.50.2000110.1M99 S103 I104M99-D101 VanDerWaalsContact CE-O 3.27Å; M99-D101 WeakPolarHBondContact CE-O 3.37Å; M99-D101 WeakPolarHBondContact CG-O 3.4Å; D101-S103 PolarHBondContact O-N 2.9Å; D101-S103 WeakPolarHBondContact OD1-CB 3.31Å; D101-S103 PolarHBondContact OD1-N 3.36Å; D101-S103 PolarHBondContact OD1-OG 3.24Å; D101-S103 PolarHBondContact OD2-OG 3.04Å; D101-S103 VanDerWaalsContact OD2-OG 3.08Å; D101-I104 HydrophobicContact CB-CD1 3.91Å; D101-I104 HydrophobicContact CB-CG1 4.14Å
102T88.8Confident92.3Very high79 Ų7957.8 Ų57.849%0.48532%0.323SS..THydrogen-bonded Turntrans-76-4.8-179.855.70000113.8P44 V65 M99 I104P44-T102 HydrophobicContact CB-CG2 3.94Å; P44-T102 HydrophobicContact CG-CG2 4.02Å; V65-T102 HydrophobicContact CG1-CG2 4.4Å; M99-T102 HydrophobicContact CG-CG2 4.5Å; M99-T102 HydrophobicContact SD-CG2 4.01Å; T102-I104 VanDerWaalsContact C-N 3.34Å
103S90.6Very high92.2Very high91 Ų9158.6 Ų58.664%0.63633%0.328SS*.THydrogen-bonded Turntrans-78.9-17.9175.476.20000113.2D101D101-S103 PolarHBondContact O-N 2.9Å; D101-S103 WeakPolarHBondContact OD1-CB 3.31Å; D101-S103 PolarHBondContact OD1-N 3.36Å; D101-S103 PolarHBondContact OD1-OG 3.24Å; D101-S103 PolarHBondContact OD2-OG 3.04Å; D101-S103 VanDerWaalsContact OD2-OG 3.08Å
104I91Very high92.2Very high63 Ų6359.6 Ų59.632%0.32334%0.337SS..SBendtrans-74.3127.7179.7-57.4174000109.7M99 D101 T102 L106 N108 F109M99-I104 HydrophobicContact CE-CB 4.36Å; M99-I104 WeakPolarHBondContact CE-O 3.07Å; D101-I104 HydrophobicContact CB-CD1 3.91Å; D101-I104 HydrophobicContact CB-CG1 4.14Å; T102-I104 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 3.43Å; I104-N108 HydrophobicContact CG2-CB 4.04Å; I104-F109 HydrophobicContact CG2-CB 4.33Å
105P93.8Very high92.1Very high79 Ų7967.8 Ų67.851%0.51338%0.375SS..  trans-57.6136.7173.4-24.834.1000111.9D107 N108 F109P105-D107 PolarHBondContact O-N 3.49Å; P105-D107 VanDerWaalsContact O-N 3.11Å; P105-N108 WeakPolarHBondContact O-CB 3.46Å; P105-N108 PolarHBondContact O-N 2.89Å; P105-F109 PolarHBondContact O-N 2.98Å
106L92.8Very high91.9Very high45 Ų4575.2 Ų75.224%0.23641%0.407CS..Hα-helixtrans-51.8-39.9-177-73.7172000112.9C46 A63 V65 I104 N108 F109 W110C46-L106 HydrophobicContact CB-CD2 4.23Å; C46-L106 WeakPolarHBondContact SG-CD2 3.46Å; A63-L106 HydrophobicContact CB-CD1 4.38Å; V65-L106 HydrophobicContact CG2-CD2 3.97Å; I104-L106 PolarHBondContact O-N 3.43Å; L106-N108 PolarHBondContact O-N 2.84Å; L106-F109 WeakPolarHBondContact O-CB 3.47Å; L106-F109 PolarHBondContact O-N 3.1Å; L106-W110 PolarHBondContact O-N 2.87Å
107D92.3Very high91.7Very high116 Ų11680.1 Ų80.162%0.6243%0.43SS*.Hα-helixtrans-62.1-30.9179.3-70.6-27.2000113.7P105 K111P105-D107 PolarHBondContact O-N 3.49Å; P105-D107 VanDerWaalsContact O-N 3.11Å; D107-K111 WeakPolarHBondContact O-CD 3.36Å; D107-K111 WeakPolarHBondContact O-CG 3.14Å
108N94.1Very high91.6Very high85 Ų8581.7 Ų81.746%0.45544%0.438SS..Hα-helixtrans-81.3-41.8175.6-69.5-14.7000110.5I104 P105 L106 W110 K111 S112I104-N108 HydrophobicContact CG2-CB 4.04Å; P105-N108 WeakPolarHBondContact O-CB 3.46Å; P105-N108 PolarHBondContact O-N 2.89Å; L106-N108 PolarHBondContact O-N 2.84Å; N108-W110 VanDerWaalsContact C-N 3.35Å; N108-W110 PolarHBondContact O-N 2.82Å; N108-K111 PolarHBondContact O-N 2.89Å; N108-S112 PolarHBondContact O-N 2.78Å; N108-S112 PolarHBondContact O-OG 2.8Å
109F93.9Very high91.5Very high13 Ų1380.4 Ų80.46%0.05743%0.434CS..Hα-helixtrans-52.5-51176173.7-95.3000111.5C46 A97 F98 M99 I104 P105 L106 K111 S112 T113C46-F109 HydrophobicContact CB-CD1 4.02Å; C46-F109 HydrophobicContact CB-CE1 3.53Å; C46-F109 HydrophobicContact CB-CZ 4.1Å; A97-F109 HydrophobicContact CB-CE1 3.97Å; A97-F109 HydrophobicContact CB-CZ 3.74Å; F98-F109 WeakPolarHBondContact O-CE2 3.2Å; F98-F109 VanDerWaalsContact O-CZ 3.32Å; F98-F109 WeakPolarHBondContact O-CZ 3.46Å; M99-F109 HydrophobicContact CB-CE2 4.16Å; M99-F109 HydrophobicContact CB-CZ 4.46Å; M99-F109 HydrophobicContact CE-CD2 4.5Å; M99-F109 HydrophobicContact CG-CD2 4.2Å; M99-F109 HydrophobicContact CG-CE2 4.11Å; I104-F109 HydrophobicContact CG2-CB 4.33Å; P105-F109 PolarHBondContact O-N 2.98Å; L106-F109 WeakPolarHBondContact O-CB 3.47Å; L106-F109 PolarHBondContact O-N 3.1Å; F109-K111 PolarHBondContact O-N 2.76Å; F109-K111 VanDerWaalsContact O-N 3.12Å; F109-S112 PolarHBondContact O-N 2.9Å; F109-S112 VanDerWaalsContact O-N 3.17Å; F109-S112 PolarHBondContact O-OG 2.86Å; F109-S112 VanDerWaalsContact O-OG 3.09Å; F109-T113 WeakPolarHBondContact CE2-OG1 3.25Å; F109-T113 HydrophobicContact CZ-CG2 4.46Å; F109-T113 WeakPolarHBondContact CZ-OG1 3.46Å; F109-T113 WeakPolarHBondContact O-CB 3.45Å; F109-T113 PolarHBondContact O-N 2.84Å; F109-T113 PolarHBondContact O-OG1 2.82Å
110W93Very high91.6Very high38 Ų3884 Ų8414%0.14445%0.453CS..Hα-helixtrans-65-17.9-179.7-63.8116.8000114.6C46 K48 Q95 A97 L106 N108 L118C46-W110 HydrophobicContact CB-CH2 3.92Å; C46-W110 HydrophobicContact CB-CZ2 3.75Å; K48-W110 HydrophobicContact CB-CH2 4.12Å; K48-W110 HydrophobicContact CB-CZ2 3.64Å; Q95-W110 HydrophobicContact CG-CH2 4.45Å; Q95-W110 HydrophobicContact CG-CZ3 3.96Å; A97-W110 HydrophobicContact CB-CZ3 4.44Å; L106-W110 PolarHBondContact O-N 2.87Å; N108-W110 VanDerWaalsContact C-N 3.35Å; N108-W110 PolarHBondContact O-N 2.82Å; W110-L118 HydrophobicContact CE3-CD2 4.19Å; W110-L118 HydrophobicContact CZ3-CD2 3.97Å
111K93.2Very high91.7Very high171 Ų17179.3 Ų79.374%0.74342%0.419SS*.Hα-helixtrans-89.8-31.3176.1-67.9172.5-173.8171.70112.4D107 N108 F109D107-K111 WeakPolarHBondContact O-CD 3.36Å; D107-K111 WeakPolarHBondContact O-CG 3.14Å; N108-K111 PolarHBondContact O-N 2.89Å; F109-K111 PolarHBondContact O-N 2.76Å; F109-K111 VanDerWaalsContact O-N 3.12Å
112S92.5Very high91.8Very high84 Ų8482.8 Ų82.859%0.58743%0.431SS*.Hα-helixtrans-86.5-26.3-179.456.10000113.6N108 F109 P114N108-S112 PolarHBondContact O-N 2.78Å; N108-S112 PolarHBondContact O-OG 2.8Å; F109-S112 PolarHBondContact O-N 2.9Å; F109-S112 VanDerWaalsContact O-N 3.17Å; F109-S112 PolarHBondContact O-OG 2.86Å; F109-S112 VanDerWaalsContact O-OG 3.09Å; S112-P114 WeakPolarHBondContact O-CD 3.44Å
113T91.8Very high91.9Very high19 Ų1979.1 Ų79.112%0.11741%0.408CS..SBendtrans-75.1122.2-176.9-58.30000111A97 F109 E117 L118A97-T113 HydrophobicContact CB-CG2 4.21Å; F109-T113 WeakPolarHBondContact CE2-OG1 3.25Å; F109-T113 HydrophobicContact CZ-CG2 4.46Å; F109-T113 WeakPolarHBondContact CZ-OG1 3.46Å; F109-T113 WeakPolarHBondContact O-CB 3.45Å; F109-T113 PolarHBondContact O-N 2.84Å; F109-T113 PolarHBondContact O-OG1 2.82Å; T113-E117 HydrophobicContact CG2-CB 4.05Å; T113-L118 HydrophobicContact CG2-CD2 3.63Å
114P92.2Very high92Very high56 Ų5681.5 Ų81.536%0.36440%0.403SS..  trans-60.8142.9176.3-23.734.8000112.5S112 K116 E117S112-P114 WeakPolarHBondContact O-CD 3.44Å; P114-K116 HydrophobicContact CB-CD 4.46Å; P114-K116 HydrophobicContact CB-CG 3.82Å; P114-K116 PolarHBondContact O-N 2.92Å; P114-K116 VanDerWaalsContact O-N 3.08Å; P114-E117 PolarHBondContact O-N 3.46Å
115E90.7Very high92Very high173 Ų17378.5 Ų78.581%0.80839%0.388SS*.G310 helixtrans-56.2-31.3-180-67.8-17316800113.6E117 L118E115-E117 PolarHBondContact O-N 2.88Å; E115-L118 WeakPolarHBondContact O-CB 3.21Å; E115-L118 PolarHBondContact O-N 2.8Å; E115-L118 VanDerWaalsContact O-N 3.12Å
116K90.8Very high91.8Very high175 Ų17576.9 Ų76.976%0.76138%0.375SS*.G310 helixtrans-63.6-19.6176.563.4173.4-174.1177.70114.4P114P114-K116 HydrophobicContact CB-CD 4.46Å; P114-K116 HydrophobicContact CB-CG 3.82Å; P114-K116 PolarHBondContact O-N 2.92Å; P114-K116 VanDerWaalsContact O-N 3.08Å
117E90.1Very high91.6Very high103 Ų10375.1 Ų75.148%0.48137%0.365SS..G310 helixtrans-96.7-6.6178.4-71.1171.5-150.400112.1T113 P114 E115T113-E117 HydrophobicContact CG2-CB 4.05Å; P114-E117 PolarHBondContact O-N 3.46Å; E115-E117 PolarHBondContact O-N 2.88Å
118L91.4Very high91.4Very high34 Ų3470.6 Ų70.618%0.17834%0.341CS..  trans-81.7136.9176.1-53.1-178.4000109.7Q95 A97 W110 T113 E115Q95-L118 HydrophobicContact CG-CB 4.38Å; A97-L118 HydrophobicContact CB-CD2 3.9Å; W110-L118 HydrophobicContact CE3-CD2 4.19Å; W110-L118 HydrophobicContact CZ3-CD2 3.97Å; T113-L118 HydrophobicContact CG2-CD2 3.63Å; E115-L118 WeakPolarHBondContact O-CB 3.21Å; E115-L118 PolarHBondContact O-N 2.8Å; E115-L118 VanDerWaalsContact O-N 3.12Å
119M91.8Very high90.7Very high58 Ų5868.8 Ų68.829%0.28633%0.328SS..EExtended strand (participates in β ladder)trans-116.4128.6173.3-59.5-170.9-166.100109.4A10 V12 Q95 S96 F98A10-M119 VanDerWaalsContact O-SD 3.33Å; V12-M119 HydrophobicContact CB-SD 4.39Å; V12-M119 HydrophobicContact CG2-CE 3.63Å; V12-M119 HydrophobicContact CG2-CG 4.21Å; V12-M119 HydrophobicContact CG2-SD 3.2Å; V12-M119 WeakPolarHBondContact CG2-SD 3.32Å; Q95-M119 CarbonylContact C-O 3.57Å; Q95-M119 WeakPolarHBondContact CA-O 3.42Å; S96-M119 PolarHBondContact N-O 2.83Å; S96-M119 PolarHBondContact O-N 3.4Å; S96-M119 PolarHBondContact OG-O 2.91Å; F98-M119 HydrophobicContact CE2-CE 4.42Å
120D91.3Very high89.5Confident79 Ų7975 Ų7542%0.42236%0.36SS..EExtended strand (participates in β ladder)trans-116.2124.9-174.7-69.6-26.4000111.6M93 Q95M93-D120 HydrophobicContact CG-CB 4.08Å; M93-D120 HydrophobicContact SD-CB 3.89Å; Q95-D120 WeakPolarHBondContact CB-OD1 3.39Å; Q95-D120 WeakPolarHBondContact CG-OD1 3.45Å; Q95-D120 PolarHBondContact NE2-OD1 3.14Å
121T90.6Very high87.9Confident31 Ų3175.1 Ų75.119%0.1937%0.368CS..EExtended strand (participates in β ladder)trans-107.9115.6170.8-59.80000109.3M93 V94 L123M93-T121 CarbonylContact C-O 3.6Å; M93-T121 VanDerWaalsContact CA-O 3.31Å; M93-T121 WeakPolarHBondContact CA-O 3.5Å; V94-T121 PolarHBondContact N-O 3.01Å; V94-T121 PolarHBondContact O-N 3.09Å; T121-L123 HydrophobicContact CG2-CD2 4.18Å
122K90.8Very high86Confident146 Ų14670.7 Ų70.764%0.63535%0.35SS*.EExtended strand (participates in β ladder)trans-92.6136.2178.5-67.4175.2-176.6168.30110.5F92 M93F92-K122 CarbonylContact O-C 3.52Å; F92-K122 WeakPolarHBondContact O-CA 3.19Å; M93-K122 HydrophobicContact CG-CG 4.18Å; M93-K122 HydrophobicContact SD-CG 4.42Å
123L91.8Very high84.1Confident2 Ų273.3 Ų73.31%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-124.9133.1179.6-53.2168.2000109.1E19 V21 L35 K91 F92 V94 T121E19-L123 CarbonylContact O-C 3.47Å; E19-L123 WeakPolarHBondContact O-CA 3.42Å; V21-L123 HydrophobicContact CG2-CB 3.93Å; V21-L123 HydrophobicContact CG2-CD1 3.86Å; L35-L123 HydrophobicContact CD1-CD1 4.05Å; L35-L123 HydrophobicContact CD2-CD1 3.65Å; L35-L123 HydrophobicContact CG-CD1 4.48Å; K91-L123 CarbonylContact C-O 3.57Å; K91-L123 VanDerWaalsContact CA-O 3.32Å; K91-L123 WeakPolarHBondContact CA-O 3.22Å; F92-L123 HydrophobicContact CB-CB 4.23Å; F92-L123 PolarHBondContact N-O 2.83Å; F92-L123 PolarHBondContact O-N 2.8Å; V94-L123 HydrophobicContact CG2-CD1 4.14Å; T121-L123 HydrophobicContact CG2-CD2 4.18Å
124R91.4Very high82.2Confident141 Ų14180.8 Ų80.853%0.53239%0.39SS..EExtended strand (participates in β ladder)trans-86.5145.9173.3-69.5-178.3-75.1178.5-7.9109.9E19 L20 V21E19-R124 PolarHBondContact O-N 3.12Å; E19-R124 IonicContact OE2-NH2 3.56Å; E19-R124 PolarHBondContact OE2-NH2 2.81Å; E19-R124 VanDerWaalsContact OE2-NH2 3.12Å; L20-R124 CarbonylContact C-O 3.57Å; L20-R124 VanDerWaalsContact CA-O 3.31Å; L20-R124 WeakPolarHBondContact CA-O 3.43Å; L20-R124 HydrophobicContact CD1-CB 3.99Å; L20-R124 WeakPolarHBondContact CD1-O 3.49Å; V21-R124 PolarHBondContact N-O 2.85Å
125V91.3Very high80.1Confident0 Ų082.4 Ų82.40%040%0.403CS..EExtended strand (participates in β ladder)trans-90.5131.2172.71800000110V21 F23 N88 H90 F92 F127V21-V125 HydrophobicContact CB-CG2 4.49Å; V21-V125 WeakPolarHBondContact O-CA 3.37Å; F23-V125 HydrophobicContact CD2-CG1 3.68Å; F23-V125 HydrophobicContact CE2-CG1 3.82Å; N88-V125 PolarHBondContact OD1-O 3.35Å; H90-V125 HydrophobicContact CB-CB 4.04Å; H90-V125 HydrophobicContact CB-CG2 3.81Å; H90-V125 WeakPolarHBondContact O-CB 3.31Å; H90-V125 WeakPolarHBondContact O-CG2 3.49Å; H90-V125 PolarHBondContact O-N 3.49Å; F92-V125 HydrophobicContact CD2-CG2 3.52Å; F92-V125 HydrophobicContact CE2-CG2 3.51Å; V125-F127 HydrophobicContact CG1-CD1 4.32Å; V125-F127 HydrophobicContact CG1-CD2 4.45Å; V125-F127 HydrophobicContact CG1-CE1 3.94Å; V125-F127 HydrophobicContact CG1-CE2 4.11Å; V125-F127 HydrophobicContact CG1-CZ 3.86Å
126L89.3Confident78Confident46 Ų4682.5 Ų82.524%0.24140%0.404CS..EExtended strand (participates in β ladder)trans-114.9124.4168177.569.5000109.3L20 V21 R22 F23L20-L126 HydrophobicContact CD1-CB 3.88Å; L20-L126 HydrophobicContact CD2-CB 3.74Å; L20-L126 HydrophobicContact CD2-CD2 3.69Å; L20-L126 HydrophobicContact CD2-CG 4.35Å; L20-L126 HydrophobicContact CG-CB 3.9Å; V21-L126 PolarHBondContact O-N 2.52Å; R22-L126 WeakPolarHBondContact CA-O 3.4Å; R22-L126 HydrophobicContact CG-CD2 4.27Å; F23-L126 PolarHBondContact N-O 3.48Å
127F89Confident75.5Confident8 Ų880.1 Ų80.14%0.03540%0.404CS..EExtended strand (participates in β ladder)trans-93113.3168.1-57.5-72.5000109.1F23 F27 Y57 L78 P82 H90 V125 W129F23-F127 HydrophobicContact CB-CD1 4.15Å; F23-F127 HydrophobicContact CD2-CD1 4.46Å; F23-F127 HydrophobicContact CD2-CE1 4.36Å; F27-F127 HydrophobicContact CD1-CD1 4.46Å; F27-F127 HydrophobicContact CE1-CB 4.26Å; F27-F127 AromaticContact CE1-CD1 3.81Å; F27-F127 HydrophobicContact CE1-CD1 3.81Å; F27-F127 HydrophobicContact CE2-CB 4.21Å; F27-F127 HydrophobicContact CZ-CB 3.72Å; F27-F127 HydrophobicContact CZ-CD1 4.16Å; F27-F127 HydrophobicContact CZ-CG 4.43Å; Y57-F127 WeakPolarHBondContact OH-CZ 3.27Å; L78-F127 HydrophobicContact CD1-CE1 4.17Å; L78-F127 HydrophobicContact CD2-CD1 4.13Å; L78-F127 HydrophobicContact CD2-CE1 3.61Å; P82-F127 HydrophobicContact CB-CD1 4.16Å; P82-F127 HydrophobicContact CB-CD2 4.18Å; P82-F127 HydrophobicContact CB-CE1 3.83Å; P82-F127 HydrophobicContact CB-CE2 3.83Å; P82-F127 HydrophobicContact CB-CG 4.3Å; P82-F127 HydrophobicContact CB-CZ 3.62Å; P82-F127 HydrophobicContact CG-CD1 3.77Å; P82-F127 HydrophobicContact CG-CD2 4.49Å; P82-F127 HydrophobicContact CG-CE1 3.79Å; P82-F127 HydrophobicContact CG-CE2 4.48Å; P82-F127 HydrophobicContact CG-CG 4.12Å; P82-F127 HydrophobicContact CG-CZ 4.12Å; H90-F127 AromaticContact ND1-CZ 3.86Å; V125-F127 HydrophobicContact CG1-CD1 4.32Å; V125-F127 HydrophobicContact CG1-CD2 4.45Å; V125-F127 HydrophobicContact CG1-CE1 3.94Å; V125-F127 HydrophobicContact CG1-CE2 4.11Å; V125-F127 HydrophobicContact CG1-CZ 3.86Å; F127-W129 PolarHBondContact O-N 3.29Å
128D87.5Confident72.9Confident21 Ų2181.6 Ų81.611%0.11242%0.42CS..EExtended strand (participates in β ladder)trans-88.9104.2171-169.31.9000111.3R22 F23 V24 G25 F27 L130R22-D128 IonicContact CZ-OD2 3.83Å; R22-D128 VanDerWaalsContact NH1-CG 3.3Å; R22-D128 IonicContact NH1-OD2 2.67Å; R22-D128 PolarHBondContact NH1-OD2 3.11Å; R22-D128 VanDerWaalsContact NH2-CG 3.26Å; R22-D128 IonicContact NH2-OD2 3.5Å; R22-D128 PolarHBondContact NH2-OD2 3.41Å; F23-D128 PolarHBondContact O-N 2.91Å; V24-D128 HydrophobicContact CG2-CB 4.5Å; G25-D128 PolarHBondContact N-O 2.97Å; F27-D128 VanDerWaalsContact CE2-O 3.25Å; F27-D128 WeakPolarHBondContact CE2-O 3.29Å; F27-D128 WeakPolarHBondContact CZ-O 3.39Å; D128-L130 VanDerWaalsContact OD1-CB 3.25Å; D128-L130 WeakPolarHBondContact OD1-CB 3.45Å; D128-L130 WeakPolarHBondContact OD1-CG 3.13Å; D128-L130 PolarHBondContact OD1-N 3.03Å
129W80.2Confident70.3Confident47 Ų4786.5 Ų86.518%0.17845%0.452CS..  trans-83-13.9178.3-61.286000113.1F27 P82 K87 F127 S131 Q132F27-W129 HydrophobicContact CB-CH2 4.19Å; F27-W129 HydrophobicContact CB-CZ3 4.02Å; F27-W129 AromaticContact CD2-CD2 3.61Å; F27-W129 HydrophobicContact CD2-CD2 3.61Å; F27-W129 AromaticContact CD2-CE2 3.95Å; F27-W129 AromaticContact CD2-CE3 3.32Å; F27-W129 HydrophobicContact CD2-CE3 3.32Å; F27-W129 HydrophobicContact CD2-CG 4.37Å; F27-W129 AromaticContact CD2-CH2 3.78Å; F27-W129 HydrophobicContact CD2-CH2 3.78Å; F27-W129 HydrophobicContact CD2-CZ2 4.07Å; F27-W129 AromaticContact CD2-CZ3 3.4Å; F27-W129 HydrophobicContact CD2-CZ3 3.4Å; F27-W129 HydrophobicContact CE2-CB 4.41Å; F27-W129 AromaticContact CE2-CD2 3.55Å; F27-W129 HydrophobicContact CE2-CD2 3.55Å; F27-W129 AromaticContact CE2-CE2 3.85Å; F27-W129 AromaticContact CE2-CE3 3.77Å; F27-W129 HydrophobicContact CE2-CE3 3.77Å; F27-W129 AromaticContact CE2-CG 3.87Å; F27-W129 HydrophobicContact CE2-CG 3.87Å; F27-W129 HydrophobicContact CE2-CH2 4.48Å; F27-W129 HydrophobicContact CE2-CZ2 4.34Å; F27-W129 HydrophobicContact CE2-CZ3 4.22Å; F27-W129 HydrophobicContact CG-CE3 4.38Å; F27-W129 HydrophobicContact CG-CH2 4.16Å; F27-W129 HydrophobicContact CG-CZ3 4.05Å; P82-W129 HydrophobicContact CB-CZ2 4.2Å; P82-W129 HydrophobicContact CG-CH2 3.77Å; P82-W129 HydrophobicContact CG-CZ2 3.62Å; P82-W129 VanDerWaalsContact O-CH2 3.28Å; P82-W129 WeakPolarHBondContact O-CH2 3.32Å; K87-W129 VanDerWaalsContact CE-NE1 3.33Å; F127-W129 PolarHBondContact O-N 3.29Å; W129-S131 PolarHBondContact O-N 3.23Å; W129-S131 VanDerWaalsContact O-N 3.08Å; W129-Q132 WeakPolarHBondContact O-CB 3.43Å; W129-Q132 PolarHBondContact O-N 2.78Å
130L68.3Low67.8Low142 Ų14288.7 Ų88.774%0.74348%0.479SS*.THydrogen-bonded Turntrans-68.1-12.9-171.8-61.7171.7000113.6D128D128-L130 VanDerWaalsContact OD1-CB 3.25Å; D128-L130 WeakPolarHBondContact OD1-CB 3.45Å; D128-L130 WeakPolarHBondContact OD1-CG 3.13Å; D128-L130 PolarHBondContact OD1-N 3.03Å
131S59.5Low65.3Low42 Ų4288.7 Ų88.729%0.29450%0.498SS..THydrogen-bonded Turntrans-88.2-4.2175.8-51.30000114V24 W129 D133V24-S131 WeakPolarHBondContact CG1-OG 3.27Å; W129-S131 PolarHBondContact O-N 3.23Å; W129-S131 VanDerWaalsContact O-N 3.08Å; S131-D133 VanDerWaalsContact C-N 3.32Å; S131-D133 PolarHBondContact O-N 2.79Å
132Q54Low62.8Low78 Ų7892.7 Ų92.736%0.36453%0.527SS..G310 helixtrans-69.3-29.1-176.2-166164.89.500112.8W129 Q134W129-Q132 WeakPolarHBondContact O-CB 3.43Å; W129-Q132 PolarHBondContact O-N 2.78Å; Q132-Q134 VanDerWaalsContact C-N 3.35Å; Q132-Q134 PolarHBondContact O-N 3.07Å
133D52.9Low60.3Low139 Ų13995.2 Ų95.274%0.74354%0.538SS*.G310 helixtrans-82.9-0.6-170.2-65.1-31.8000115.3S131S131-D133 VanDerWaalsContact C-N 3.32Å; S131-D133 PolarHBondContact O-N 2.79Å
134Q50.5Low58.1Low175 Ų175103.3 Ų103.382%0.81858%0.576SS**G310 helixtrans-103.2-6.7-175.8-66.6-16828.900115.5Q132Q132-Q134 VanDerWaalsContact C-N 3.35Å; Q132-Q134 PolarHBondContact O-N 3.07Å
135S48.4Very low55.8Low91 Ų9199.4 Ų99.464%0.63657%0.571SS**SBendtrans-112.11.5-168.6-63.70000116.7
136E47.8Very low53.9Low174 Ų174106.2 Ų106.281%0.81361%0.612SS**SBendtrans-115.48-176.6-73.9-17317600116.1
137T37.2Very low52.3Low125 Ų125109.3 Ų109.377%0.76764%0.638SS**SBendtrans-109.156.1-178.5-27.80000113.4
138T34.9Very low50.6Low135 Ų135115.5 Ų115.583%0.82866%0.664SS**  trans-168.6104.3156.6-0.40000109.8
139T37.1Very low49Very low137 Ų137117.4 Ų117.484%0.8468%0.683SS**SBendtrans157.1113.1134.7-60.60000110.9
140A39.7Very low48.1Very low103 Ų103117.5 Ų117.585%0.85170%0.699SS**  trans70120.2152.400000120.6
141G38.6Very low48.1Very low80 Ų80113.7 Ų113.783%0.82569%0.688SS**  trans159.365.315900000117.4
142S39.4Very low48.8Very low115 Ų115117 Ų11780%0.80470%0.701SS**  trans0.6123.3151.5-1590000119.4
143F37.9Very low49.7Very low198 Ų198120.3 Ų120.387%0.86872%0.717SS**  trans63.893.5135.2-131.6-95.7000118.7
144E44.7Very low50.8Low172 Ų172117.3 Ų117.380%0.80471%0.707SS**  trans-166.2124.9146.6-112.8170-157.400113.8
145S44.1Very low52.1Low60 Ų60114.6 Ų114.642%0.4269%0.694SS.*  trans78.499.815375.60000119.4S147 K148S145-S147 PolarHBondContact O-N 3.08Å; S145-K148 PolarHBondContact O-N 2.79Å; S145-K148 VanDerWaalsContact O-N 3.15Å
146V52Low53.5Low143 Ų143113.8 Ų113.887%0.86769%0.688SS**THydrogen-bonded Turntrans-54.3-12.4167.4173.80000113.3
147S55Low55.2Low111 Ų111113.8 Ų113.878%0.77668%0.68SS**THydrogen-bonded Turntrans-80.6-18.3177.7-45.20000114.7S145S145-S147 PolarHBondContact O-N 3.08Å
148K54Low57.5Low138 Ų138114 Ų11460%0.667%0.67SS**Hα-helixtrans-80.9-19.7177.7-74.9179.1-179.3173.30113.6S145 G150 A151 L152S145-K148 PolarHBondContact O-N 2.79Å; S145-K148 VanDerWaalsContact O-N 3.15Å; K148-G150 PolarHBondContact O-N 2.86Å; K148-A151 PolarHBondContact O-N 3.36Å; K148-L152 WeakPolarHBondContact O-CB 3.25Å; K148-L152 PolarHBondContact O-N 3.42Å; K148-L152 VanDerWaalsContact O-N 3.08Å
149A52.4Low59.8Low61 Ų61111.6 Ų111.650%0.50465%0.652SS.*Hα-helixtrans-63.2-39.5-175.200000113Q153A149-Q153 VanDerWaalsContact O-CB 3.25Å; A149-Q153 WeakPolarHBondContact O-CB 3.22Å; A149-Q153 PolarHBondContact O-N 3.39Å
150G60.9Low62Low49 Ų49107.9 Ų107.951%0.50564%0.635SS.*Hα-helixtrans-69.8-42.5-179.700000113.5K148 Q153 S154K148-G150 PolarHBondContact O-N 2.86Å; G150-Q153 PolarHBondContact O-N 2.93Å; G150-S154 PolarHBondContact O-N 2.85Å; G150-S154 VanDerWaalsContact O-N 3.07Å
151A70.2Confident64.2Low62 Ų62108 Ų10851%0.51262%0.618SS.*Hα-helixtrans-63.6-47.8176.300000110.8K148 Q153 S154 E155K148-A151 PolarHBondContact O-N 3.36Å; A151-Q153 VanDerWaalsContact C-N 3.32Å; A151-Q153 PolarHBondContact O-N 3.41Å; A151-S154 PolarHBondContact O-N 2.85Å; A151-S154 PolarHBondContact O-OG 3.2Å; A151-E155 PolarHBondContact O-N 3.17Å
152L73.1Confident66.4Low111 Ų111108.5 Ų108.558%0.58160%0.599SS**Hα-helixtrans-59.8-41.5177.2-163.380.8000111.9K148 S154 E155 C156K148-L152 WeakPolarHBondContact O-CB 3.25Å; K148-L152 PolarHBondContact O-N 3.42Å; K148-L152 VanDerWaalsContact O-N 3.08Å; L152-S154 PolarHBondContact O-N 2.99Å; L152-E155 PolarHBondContact O-N 3.05Å; L152-C156 WeakPolarHBondContact O-CB 3.47Å; L152-C156 PolarHBondContact O-N 3.19Å; L152-C156 PolarHBondContact O-SG 3.02Å
153Q73Confident68.4Low148 Ų148107.6 Ų107.669%0.69259%0.585SS**Hα-helixtrans-67.1-36.5179.5-166.9173.54500112.5A149 G150 A151 R157A149-Q153 VanDerWaalsContact O-CB 3.25Å; A149-Q153 WeakPolarHBondContact O-CB 3.22Å; A149-Q153 PolarHBondContact O-N 3.39Å; G150-Q153 PolarHBondContact O-N 2.93Å; A151-Q153 VanDerWaalsContact C-N 3.32Å; A151-Q153 PolarHBondContact O-N 3.41Å; Q153-R157 PolarHBondContact O-N 2.9Å; Q153-R157 VanDerWaalsContact O-N 3.07Å
154S75.5Confident70.9Confident76 Ų76104.9 Ų104.953%0.53157%0.573SS.*Hα-helixtrans-66.8-39.2174.372.10000112.2G150 A151 L152 R157 K158G150-S154 PolarHBondContact O-N 2.85Å; G150-S154 VanDerWaalsContact O-N 3.07Å; A151-S154 PolarHBondContact O-N 2.85Å; A151-S154 PolarHBondContact O-OG 3.2Å; L152-S154 PolarHBondContact O-N 2.99Å; S154-R157 PolarHBondContact O-N 3.09Å; S154-K158 PolarHBondContact O-N 2.77Å
155E79.3Confident73Confident118 Ų118102.3 Ų102.355%0.55156%0.563SS**Hα-helixtrans-69.3-43.1177.4-166162.6-160.700111.3A151 L152 R157 K158 L159A151-E155 PolarHBondContact O-N 3.17Å; L152-E155 PolarHBondContact O-N 3.05Å; E155-R157 VanDerWaalsContact C-N 3.29Å; E155-R157 PolarHBondContact O-N 3.12Å; E155-K158 PolarHBondContact O-N 2.82Å; E155-L159 HydrophobicContact CG-CD1 4.24Å; E155-L159 WeakPolarHBondContact O-CB 3.3Å; E155-L159 WeakPolarHBondContact O-CG 3.42Å; E155-L159 PolarHBondContact O-N 3.03Å
156C76.4Confident75.2Confident74 Ų74104 Ų10450%0.557%0.566SS.*Hα-helixtrans-57.8-40.3172.3-74.40000112.4L152 A160L152-C156 WeakPolarHBondContact O-CB 3.47Å; L152-C156 PolarHBondContact O-N 3.19Å; L152-C156 PolarHBondContact O-SG 3.02Å; C156-A160 VanDerWaalsContact O-CB 3.31Å; C156-A160 WeakPolarHBondContact O-CB 3.49Å; C156-A160 PolarHBondContact O-N 3.38Å
157R83.5Confident77Confident173 Ų173102.2 Ų102.265%0.65355%0.551SS**Hα-helixtrans-67.8-44.4177.6-176.2177.8171173.21.2111.7Q153 S154 E155 A160 E161Q153-R157 PolarHBondContact O-N 2.9Å; Q153-R157 VanDerWaalsContact O-N 3.07Å; S154-R157 PolarHBondContact O-N 3.09Å; E155-R157 VanDerWaalsContact C-N 3.29Å; E155-R157 PolarHBondContact O-N 3.12Å; R157-A160 PolarHBondContact O-N 3.06Å; R157-E161 IonicContact CZ-OE1 2.59Å; R157-E161 IonicContact NE-OE1 3.1Å; R157-E161 PolarHBondContact NE-OE1 3.14Å; R157-E161 VanDerWaalsContact NE-OE1 3.08Å; R157-E161 IonicContact NH2-OE1 3.77Å; R157-E161 WeakPolarHBondContact O-CG 3.42Å; R157-E161 PolarHBondContact O-N 2.88Å
158K86.7Confident78.7Confident130 Ų130100.1 Ų100.157%0.56553%0.532SS*.Hα-helixtrans-62.2-45.4177.8-167.3-175.2175.9-160.30111.4S154 E155 A160 E161 E162S154-K158 PolarHBondContact O-N 2.77Å; E155-K158 PolarHBondContact O-N 2.82Å; K158-A160 VanDerWaalsContact C-N 3.31Å; K158-A160 PolarHBondContact O-N 3.24Å; K158-E161 PolarHBondContact O-N 2.99Å; K158-E162 VanDerWaalsContact CE-OE1 3.3Å; K158-E162 WeakPolarHBondContact CE-OE1 3.43Å; K158-E162 IonicContact NZ-OE1 3.88Å; K158-E162 WeakPolarHBondContact O-CG 3.4Å; K158-E162 PolarHBondContact O-N 3.44Å
159L82.7Confident80.5Confident85 Ų8598 Ų9845%0.44552%0.523SS..Hα-helixtrans-63.4-34.8175.6-73.6169.1000112.7E155 N163E155-L159 HydrophobicContact CG-CD1 4.24Å; E155-L159 WeakPolarHBondContact O-CB 3.3Å; E155-L159 WeakPolarHBondContact O-CG 3.42Å; E155-L159 PolarHBondContact O-N 3.03Å; L159-N163 WeakPolarHBondContact O-CB 3.2Å; L159-N163 PolarHBondContact O-N 3.18Å; L159-N163 PolarHBondContact O-ND2 2.99Å
160A84Confident82.2Confident59 Ų5999.7 Ų99.749%0.48852%0.524SS..Hα-helixtrans-68.9-4017500000112C156 R157 K158 K164C156-A160 VanDerWaalsContact O-CB 3.31Å; C156-A160 WeakPolarHBondContact O-CB 3.49Å; C156-A160 PolarHBondContact O-N 3.38Å; R157-A160 PolarHBondContact O-N 3.06Å; K158-A160 VanDerWaalsContact C-N 3.31Å; K158-A160 PolarHBondContact O-N 3.24Å; A160-K164 WeakPolarHBondContact O-CB 3.32Å; A160-K164 PolarHBondContact O-N 2.78Å
161E85.9Confident83.7Confident106 Ų106105.1 Ų105.150%0.49553%0.529SS..Hα-helixtrans-65.3-42.8174.1-72.3173.2-16900111.3R157 K158 K164 M165R157-E161 IonicContact CZ-OE1 2.59Å; R157-E161 IonicContact NE-OE1 3.1Å; R157-E161 PolarHBondContact NE-OE1 3.14Å; R157-E161 VanDerWaalsContact NE-OE1 3.08Å; R157-E161 IonicContact NH2-OE1 3.77Å; R157-E161 WeakPolarHBondContact O-CG 3.42Å; R157-E161 PolarHBondContact O-N 2.88Å; K158-E161 PolarHBondContact O-N 2.99Å; E161-K164 PolarHBondContact O-N 3.24Å; E161-M165 PolarHBondContact O-N 3.39Å
162E84.1Confident84.8Confident89 Ų89107.5 Ų107.542%0.41653%0.529SS..Hα-helixtrans-62.7-45.9174.8-74.3176.3-173.300112K158 K164 M165 L166K158-E162 VanDerWaalsContact CE-OE1 3.3Å; K158-E162 WeakPolarHBondContact CE-OE1 3.43Å; K158-E162 IonicContact NZ-OE1 3.88Å; K158-E162 WeakPolarHBondContact O-CG 3.4Å; K158-E162 PolarHBondContact O-N 3.44Å; E162-K164 VanDerWaalsContact C-N 3.32Å; E162-K164 PolarHBondContact O-N 2.97Å; E162-M165 PolarHBondContact O-N 3.38Å; E162-L166 WeakPolarHBondContact O-CB 3.46Å; E162-L166 VanDerWaalsContact O-CG 3.32Å; E162-L166 WeakPolarHBondContact O-CG 3.48Å; E162-L166 PolarHBondContact O-N 2.97Å
163N80.8Confident85.6Confident96 Ų96106.3 Ų106.351%0.51352%0.523SS..Hα-helixtrans-61-40175.4-88.4-63.4000112.5L159 L166 L167L159-N163 WeakPolarHBondContact O-CB 3.2Å; L159-N163 PolarHBondContact O-N 3.18Å; L159-N163 PolarHBondContact O-ND2 2.99Å; N163-L166 PolarHBondContact O-N 3.42Å; N163-L167 WeakPolarHBondContact O-CB 3.38Å; N163-L167 WeakPolarHBondContact O-CG 3.35Å; N163-L167 PolarHBondContact O-N 2.84Å
164K90.5Very high86.5Confident142 Ų142105.3 Ų105.362%0.61752%0.518SS*.Hα-helixtrans-62.5-46.1175.5-175.9-176174.9-173.50111.1A160 E161 E162 L167 D168A160-K164 WeakPolarHBondContact O-CB 3.32Å; A160-K164 PolarHBondContact O-N 2.78Å; E161-K164 PolarHBondContact O-N 3.24Å; E162-K164 VanDerWaalsContact C-N 3.32Å; E162-K164 PolarHBondContact O-N 2.97Å; K164-L167 PolarHBondContact O-N 3.03Å; K164-D168 PolarHBondContact O-N 3.05Å
165M89.6Confident87.4Confident118 Ų118105.5 Ų105.558%0.58152%0.519SS*.Hα-helixtrans-64.2-40.6178.3-177.4167.6172.100112E161 E162 D168 Q169E161-M165 PolarHBondContact O-N 3.39Å; E162-M165 PolarHBondContact O-N 3.38Å; M165-D168 PolarHBondContact O-N 3.22Å; M165-Q169 WeakPolarHBondContact O-CG 3.21Å; M165-Q169 PolarHBondContact O-N 3.23Å
166L89.2Confident87.8Confident94 Ų94104.2 Ų104.249%0.49251%0.514SS..Hα-helixtrans-64.8-40.3175.9-73.1170.7000112.2E162 N163 D168 Q169 L170E162-L166 WeakPolarHBondContact O-CB 3.46Å; E162-L166 VanDerWaalsContact O-CG 3.32Å; E162-L166 WeakPolarHBondContact O-CG 3.48Å; E162-L166 PolarHBondContact O-N 2.97Å; N163-L166 PolarHBondContact O-N 3.42Å; L166-D168 VanDerWaalsContact C-N 3.34Å; L166-Q169 PolarHBondContact O-N 2.94Å; L166-L170 WeakPolarHBondContact O-CG 3.14Å; L166-L170 PolarHBondContact O-N 3.08Å
167L90.7Very high88.4Confident106 Ų106104.9 Ų104.956%0.55551%0.512SS*.Hα-helixtrans-63.9-38.5173.9-79.3164.9000112.3N163 K164 L170 R171N163-L167 WeakPolarHBondContact O-CB 3.38Å; N163-L167 WeakPolarHBondContact O-CG 3.35Å; N163-L167 PolarHBondContact O-N 2.84Å; K164-L167 PolarHBondContact O-N 3.03Å; L167-L170 PolarHBondContact O-N 3.12Å; L167-R171 WeakPolarHBondContact O-CG 3.43Å; L167-R171 PolarHBondContact O-N 3.12Å; L167-R171 VanDerWaalsContact O-N 3.1Å
168D91.3Very high88.7Confident68 Ų68102.7 Ų102.736%0.36451%0.511SS..Hα-helixtrans-65.2-42174.3-72.9-12.3000111.4K164 M165 L166 R171 H172K164-D168 PolarHBondContact O-N 3.05Å; M165-D168 PolarHBondContact O-N 3.22Å; L166-D168 VanDerWaalsContact C-N 3.34Å; D168-R171 PolarHBondContact O-N 3.26Å; D168-R171 IonicContact OD1-CZ 3.79Å; D168-R171 IonicContact OD1-NE 3.12Å; D168-R171 IonicContact OD1-NH2 2.78Å; D168-R171 PolarHBondContact OD1-NH2 2.99Å; D168-H172 PolarHBondContact O-N 2.91Å
169Q89.9Confident89Confident92 Ų9299.7 Ų99.743%0.4351%0.506SS..Hα-helixtrans-64.7-41.2175-74.1-177.66.700112.8M165 L166 H172 L173M165-Q169 WeakPolarHBondContact O-CG 3.21Å; M165-Q169 PolarHBondContact O-N 3.23Å; L166-Q169 PolarHBondContact O-N 2.94Å; Q169-H172 PolarHBondContact O-N 2.88Å; Q169-L173 WeakPolarHBondContact O-CG 3.39Å; Q169-L173 PolarHBondContact O-N 3.08Å
170L89.6Confident89.3Confident98 Ų9899.9 Ų99.951%0.51351%0.507SS..Hα-helixtrans-60.2-46.8175.6-80.9166.8000111.3L166 L167 H172 L173 E174L166-L170 WeakPolarHBondContact O-CG 3.14Å; L166-L170 PolarHBondContact O-N 3.08Å; L167-L170 PolarHBondContact O-N 3.12Å; L170-H172 VanDerWaalsContact C-N 3.28Å; L170-H172 PolarHBondContact O-N 2.86Å; L170-L173 PolarHBondContact O-N 2.63Å; L170-E174 WeakPolarHBondContact O-CB 3.22Å; L170-E174 VanDerWaalsContact O-CG 3.31Å; L170-E174 WeakPolarHBondContact O-CG 3.46Å; L170-E174 PolarHBondContact O-N 2.82Å
171R91.9Very high89.6Confident163 Ų163105.7 Ų105.762%0.61552%0.517SS*.Hα-helixtrans-59.9-39.3175.9-75.8-169.7-72.2166.5-8112.4L167 D168 S175L167-R171 WeakPolarHBondContact O-CG 3.43Å; L167-R171 PolarHBondContact O-N 3.12Å; L167-R171 VanDerWaalsContact O-N 3.1Å; D168-R171 PolarHBondContact O-N 3.26Å; D168-R171 IonicContact OD1-CZ 3.79Å; D168-R171 IonicContact OD1-NE 3.12Å; D168-R171 IonicContact OD1-NH2 2.78Å; D168-R171 PolarHBondContact OD1-NH2 2.99Å; R171-S175 PolarHBondContact O-N 2.98Å; R171-S175 VanDerWaalsContact O-N 3.09Å
172H92.2Very high89.9Confident111 Ų111105.6 Ų105.651%0.51452%0.519SS..Hα-helixtrans-64.6-49.2176.4-176.851.8000111.8D168 Q169 L170 E174 S175 E176D168-H172 PolarHBondContact O-N 2.91Å; Q169-H172 PolarHBondContact O-N 2.88Å; L170-H172 VanDerWaalsContact C-N 3.28Å; L170-H172 PolarHBondContact O-N 2.86Å; H172-E174 VanDerWaalsContact C-N 3.32Å; H172-E174 PolarHBondContact O-N 3.36Å; H172-S175 WeakPolarHBondContact O-CB 3.42Å; H172-S175 PolarHBondContact O-N 3.02Å; H172-S175 VanDerWaalsContact O-N 3.14Å; H172-E176 IonicContact CE1-OE1 3.44Å; H172-E176 IonicContact NE2-OE1 2.89Å; H172-E176 PolarHBondContact NE2-OE1 2.85Å; H172-E176 PolarHBondContact O-N 2.91Å
173L91.1Very high90.2Very high86 Ų86108.6 Ų108.645%0.4553%0.527SS..Hα-helixtrans-63.1-35.4178-75.2169.7000112.8Q169 L170 E176 N177Q169-L173 WeakPolarHBondContact O-CG 3.39Å; Q169-L173 PolarHBondContact O-N 3.08Å; L170-L173 PolarHBondContact O-N 2.63Å; L173-E176 PolarHBondContact O-N 3.34Å; L173-N177 WeakPolarHBondContact O-CB 3.48Å; L173-N177 PolarHBondContact O-N 2.89Å; L173-N177 PolarHBondContact O-ND2 3.16Å
174E92Very high90.5Very high128 Ų128108.6 Ų108.660%0.59853%0.526SS*.Hα-helixtrans-64.8-42.3173.5-76.1177.4161.700111.4L170 H172 N177 M178L170-E174 WeakPolarHBondContact O-CB 3.22Å; L170-E174 VanDerWaalsContact O-CG 3.31Å; L170-E174 WeakPolarHBondContact O-CG 3.46Å; L170-E174 PolarHBondContact O-N 2.82Å; H172-E174 VanDerWaalsContact C-N 3.32Å; H172-E174 PolarHBondContact O-N 3.36Å; E174-N177 PolarHBondContact O-N 2.76Å; E174-M178 WeakPolarHBondContact O-CB 3.39Å; E174-M178 PolarHBondContact O-N 2.93Å
175S93Very high90.5Very high79 Ų79105.5 Ų105.555%0.55252%0.516SS*.Hα-helixtrans-64.5-40.2174.7-172.90000112.3R171 H172 M178 S179R171-S175 PolarHBondContact O-N 2.98Å; R171-S175 VanDerWaalsContact O-N 3.09Å; H172-S175 WeakPolarHBondContact O-CB 3.42Å; H172-S175 PolarHBondContact O-N 3.02Å; H172-S175 VanDerWaalsContact O-N 3.14Å; S175-M178 PolarHBondContact O-N 2.8Å; S175-S179 PolarHBondContact O-N 3.29Å
176E89.4Confident90.4Very high92 Ų92106 Ų10643%0.4352%0.517SS..Hα-helixtrans-65.3-44.8175.3-72.1-167.3147.400111.4H172 L173 M178 S179 L180H172-E176 IonicContact CE1-OE1 3.44Å; H172-E176 IonicContact NE2-OE1 2.89Å; H172-E176 PolarHBondContact NE2-OE1 2.85Å; H172-E176 PolarHBondContact O-N 2.91Å; L173-E176 PolarHBondContact O-N 3.34Å; E176-M178 VanDerWaalsContact C-N 3.27Å; E176-M178 PolarHBondContact O-N 3.18Å; E176-S179 PolarHBondContact O-N 3.14Å; E176-L180 WeakPolarHBondContact O-CG 3.42Å; E176-L180 PolarHBondContact O-N 2.87Å
177N87.1Confident90.1Very high87 Ų87107 Ų10747%0.46552%0.522SS..Hα-helixtrans-60.8-37.4175.4-86.3-67.6000112.2L173 E174 R181L173-N177 WeakPolarHBondContact O-CB 3.48Å; L173-N177 PolarHBondContact O-N 2.89Å; L173-N177 PolarHBondContact O-ND2 3.16Å; E174-N177 PolarHBondContact O-N 2.76Å; N177-R181 WeakPolarHBondContact O-CB 3.5Å; N177-R181 VanDerWaalsContact O-CG 3.25Å; N177-R181 WeakPolarHBondContact O-CG 3.27Å; N177-R181 PolarHBondContact O-N 2.9Å
178M90Very high89.6Confident128 Ų128107.2 Ų107.263%0.63152%0.52SS*.Hα-helixtrans-63.6-47.2174.2-177.4172-84.700111.1E174 S175 E176 L180 R181 D182E174-M178 WeakPolarHBondContact O-CB 3.39Å; E174-M178 PolarHBondContact O-N 2.93Å; S175-M178 PolarHBondContact O-N 2.8Å; E176-M178 VanDerWaalsContact C-N 3.27Å; E176-M178 PolarHBondContact O-N 3.18Å; M178-L180 VanDerWaalsContact C-N 3.34Å; M178-L180 PolarHBondContact O-N 3.47Å; M178-R181 PolarHBondContact O-N 3.19Å; M178-D182 PolarHBondContact O-N 3.12Å
179S93.3Very high89.3Confident66 Ų66109.6 Ų109.646%0.46253%0.528SS..Hα-helixtrans-62.9-38.7176.9-179.90000113S175 E176 D182 R183S175-S179 PolarHBondContact O-N 3.29Å; E176-S179 PolarHBondContact O-N 3.14Å; S179-D182 PolarHBondContact O-N 3.08Å; S179-R183 WeakPolarHBondContact O-CG 3.48Å; S179-R183 PolarHBondContact O-N 3Å
180L89.7Confident88.5Confident89 Ų89108.7 Ų108.747%0.46653%0.528SS..Hα-helixtrans-65.4-39.7175.7-73172.7000111.8E176 M178 R183 I184E176-L180 WeakPolarHBondContact O-CG 3.42Å; E176-L180 PolarHBondContact O-N 2.87Å; M178-L180 VanDerWaalsContact C-N 3.34Å; M178-L180 PolarHBondContact O-N 3.47Å; L180-R183 PolarHBondContact O-N 3.5Å; L180-I184 VanDerWaalsContact O-CG1 3.3Å; L180-I184 WeakPolarHBondContact O-CG1 3.28Å; L180-I184 PolarHBondContact O-N 2.67Å
181R90.4Very high87.4Confident182 Ų182107.5 Ų107.569%0.68753%0.528SS*.Hα-helixtrans-63.2-43.5175.2-76.2173.4179.5-80.6-1.4111.9N177 M178 I184 D185N177-R181 WeakPolarHBondContact O-CB 3.5Å; N177-R181 VanDerWaalsContact O-CG 3.25Å; N177-R181 WeakPolarHBondContact O-CG 3.27Å; N177-R181 PolarHBondContact O-N 2.9Å; M178-R181 PolarHBondContact O-N 3.19Å; R181-I184 PolarHBondContact O-N 3.07Å; R181-D185 PolarHBondContact O-N 2.76Å
182D92.3Very high85.8Confident103 Ų103109.4 Ų109.455%0.55154%0.535SS*.Hα-helixtrans-63-42.6175.8-79.77.5000111.4M178 S179 I184 D185 E186M178-D182 PolarHBondContact O-N 3.12Å; S179-D182 PolarHBondContact O-N 3.08Å; D182-I184 VanDerWaalsContact C-N 3.31Å; D182-I184 PolarHBondContact O-N 3.33Å; D182-D185 PolarHBondContact O-N 3.46Å; D182-E186 WeakPolarHBondContact O-CG 3.49Å; D182-E186 PolarHBondContact O-N 2.81Å
183R90.9Very high84.2Confident152 Ų152109.7 Ų109.757%0.57455%0.545SS*.Hα-helixtrans-61.5-37174.4-79.2172.764.11630.3113S179 L180 L187S179-R183 WeakPolarHBondContact O-CG 3.48Å; S179-R183 PolarHBondContact O-N 3Å; L180-R183 PolarHBondContact O-N 3.5Å; R183-L187 WeakPolarHBondContact O-CB 3.18Å; R183-L187 VanDerWaalsContact O-CG 3.27Å; R183-L187 WeakPolarHBondContact O-CG 3.47Å; R183-L187 PolarHBondContact O-N 2.86Å
184I86.5Confident82.4Confident97 Ų97113.1 Ų113.150%0.49756%0.558SS.*Hα-helixtrans-64.8-44.9175.2-70.6165.1000110L180 R181 D182 E186 L187 E188L180-I184 VanDerWaalsContact O-CG1 3.3Å; L180-I184 WeakPolarHBondContact O-CG1 3.28Å; L180-I184 PolarHBondContact O-N 2.67Å; R181-I184 PolarHBondContact O-N 3.07Å; D182-I184 VanDerWaalsContact C-N 3.31Å; D182-I184 PolarHBondContact O-N 3.33Å; I184-E186 VanDerWaalsContact C-N 3.35Å; I184-E186 PolarHBondContact O-N 2.93Å; I184-L187 PolarHBondContact O-N 3.49Å; I184-E188 HydrophobicContact CG2-CG 4.49Å; I184-E188 WeakPolarHBondContact O-CB 3.36Å; I184-E188 WeakPolarHBondContact O-CG 3.45Å; I184-E188 PolarHBondContact O-N 3.32Å
185D89.6Confident80.3Confident77 Ų77112.3 Ų112.341%0.41256%0.562SS.*Hα-helixtrans-63.2-39.2177.2-173.667.8000112.2R181 D182 E188 K189R181-D185 PolarHBondContact O-N 2.76Å; D182-D185 PolarHBondContact O-N 3.46Å; D185-E188 PolarHBondContact O-N 3.18Å; D185-K189 WeakPolarHBondContact O-CG 3.42Å; D185-K189 PolarHBondContact O-N 3.47Å; D185-K189 VanDerWaalsContact OD2-CE 3.3Å; D185-K189 WeakPolarHBondContact OD2-CE 3.5Å; D185-K189 IonicContact OD2-NZ 3.84Å; D185-K189 PolarHBondContact OD2-NZ 3.49Å
186E89.3Confident78.2Confident127 Ų127112 Ų11259%0.59356%0.564SS**Hα-helixtrans-63.6-46.3173-74.1-174.4163.900112.3D182 I184 E188 K189 V190D182-E186 WeakPolarHBondContact O-CG 3.49Å; D182-E186 PolarHBondContact O-N 2.81Å; I184-E186 VanDerWaalsContact C-N 3.35Å; I184-E186 PolarHBondContact O-N 2.93Å; E186-E188 VanDerWaalsContact C-N 3.34Å; E186-E188 PolarHBondContact O-N 2.96Å; E186-K189 WeakPolarHBondContact O-CB 3.4Å; E186-K189 PolarHBondContact O-N 2.7Å; E186-V190 WeakPolarHBondContact O-CG2 3.36Å; E186-V190 PolarHBondContact O-N 3.05Å
187L81.5Confident76.1Confident116 Ų116111.9 Ų111.961%0.60757%0.571SS**Hα-helixtrans-64.9-37.1177.6-74.2174.6000112.2R183 I184 K189 V190 S191R183-L187 WeakPolarHBondContact O-CB 3.18Å; R183-L187 VanDerWaalsContact O-CG 3.27Å; R183-L187 WeakPolarHBondContact O-CG 3.47Å; R183-L187 PolarHBondContact O-N 2.86Å; I184-L187 PolarHBondContact O-N 3.49Å; L187-K189 VanDerWaalsContact C-N 3.31Å; L187-K189 PolarHBondContact O-N 3.33Å; L187-V190 PolarHBondContact O-N 2.94Å; L187-S191 WeakPolarHBondContact O-CB 3.41Å; L187-S191 PolarHBondContact O-N 2.67Å
188E81.8Confident74.2Confident110 Ų110113 Ų11351%0.51458%0.578SS.*Hα-helixtrans-64.3-36.3173.5-77.4-170.6179.600112I184 D185 E186 R192I184-E188 HydrophobicContact CG2-CG 4.49Å; I184-E188 WeakPolarHBondContact O-CB 3.36Å; I184-E188 WeakPolarHBondContact O-CG 3.45Å; I184-E188 PolarHBondContact O-N 3.32Å; D185-E188 PolarHBondContact O-N 3.18Å; E186-E188 VanDerWaalsContact C-N 3.34Å; E186-E188 PolarHBondContact O-N 2.96Å; E188-R192 WeakPolarHBondContact O-CG 3.38Å; E188-R192 PolarHBondContact O-N 3.06Å
189K83Confident72.5Confident119 Ų119111.4 Ų111.452%0.51758%0.575SS.*Hα-helixtrans-66.1-45.4172.7-74.7164.9176.7157.70111.7D185 E186 L187 R192 T193D185-K189 WeakPolarHBondContact O-CG 3.42Å; D185-K189 PolarHBondContact O-N 3.47Å; D185-K189 VanDerWaalsContact OD2-CE 3.3Å; D185-K189 WeakPolarHBondContact OD2-CE 3.5Å; D185-K189 IonicContact OD2-NZ 3.84Å; D185-K189 PolarHBondContact OD2-NZ 3.49Å; E186-K189 WeakPolarHBondContact O-CB 3.4Å; E186-K189 PolarHBondContact O-N 2.7Å; L187-K189 VanDerWaalsContact C-N 3.31Å; L187-K189 PolarHBondContact O-N 3.33Å; K189-R192 PolarHBondContact O-N 3.45Å; K189-T193 PolarHBondContact O-N 3.44Å; K189-T193 PolarHBondContact O-OG1 3.33Å
190V74.5Confident70.7Confident72 Ų72111.2 Ų111.244%0.43657%0.573SS.*Hα-helixtrans-61.5-46.2176.8175.10000110.5E186 L187 R192 T193 E194E186-V190 WeakPolarHBondContact O-CG2 3.36Å; E186-V190 PolarHBondContact O-N 3.05Å; L187-V190 PolarHBondContact O-N 2.94Å; V190-R192 VanDerWaalsContact C-N 3.31Å; V190-R192 PolarHBondContact O-N 2.87Å; V190-T193 CarbonylContact O-C 3.56Å; V190-T193 WeakPolarHBondContact O-CA 3.3Å; V190-T193 PolarHBondContact O-N 2.93Å; V190-E194 HydrophobicContact CG1-CG 4.21Å; V190-E194 PolarHBondContact O-N 3.03Å
191S65.7Low69Low73 Ų73111.2 Ų111.251%0.5158%0.577SS.*Hα-helixtrans-60.4-37.7177.1177.30000112.5L187 T193 V195L187-S191 WeakPolarHBondContact O-CB 3.41Å; L187-S191 PolarHBondContact O-N 2.67Å; S191-T193 VanDerWaalsContact C-N 3.28Å; S191-T193 PolarHBondContact O-N 3.06Å; S191-V195 WeakPolarHBondContact O-CG2 3.49Å; S191-V195 PolarHBondContact O-N 2.65Å
192R58.6Low67Low204 Ų204110.2 Ų110.277%0.7757%0.573SS**Hα-helixtrans-68.8-25.5172.6-78.4-174.4-160.5-133.22.6113.8E188 K189 V190E188-R192 WeakPolarHBondContact O-CG 3.38Å; E188-R192 PolarHBondContact O-N 3.06Å; K189-R192 PolarHBondContact O-N 3.45Å; V190-R192 VanDerWaalsContact C-N 3.31Å; V190-R192 PolarHBondContact O-N 2.87Å
193T58.2Low65.4Low116 Ų116111.4 Ų111.471%0.71258%0.575SS**Hα-helixtrans-90.3-24-177.2-38.40000111.8K189 V190 S191K189-T193 PolarHBondContact O-N 3.44Å; K189-T193 PolarHBondContact O-OG1 3.33Å; V190-T193 CarbonylContact O-C 3.56Å; V190-T193 WeakPolarHBondContact O-CA 3.3Å; V190-T193 PolarHBondContact O-N 2.93Å; S191-T193 VanDerWaalsContact C-N 3.28Å; S191-T193 PolarHBondContact O-N 3.06Å
194E54.2Low63.9Low158 Ų158111.3 Ų111.374%0.73858%0.58SS**Hα-helixtrans-87.4-8.5175.8-72.9-170.7145.800114.4V190 A196V190-E194 HydrophobicContact CG1-CG 4.21Å; V190-E194 PolarHBondContact O-N 3.03Å; E194-A196 PolarHBondContact O-N 3.27Å
195V48.4Very low63Low112 Ų112112.7 Ų112.768%0.67958%0.582SS**  trans-84.963.7164.9-170.30000109.3S191S191-V195 WeakPolarHBondContact O-CG2 3.49Å; S191-V195 PolarHBondContact O-N 2.65Å
196A47.4Very low62.2Low72 Ų72113.4 Ų113.460%0.59559%0.586SS**  trans-62.9135.1146.800000106.1E194 D198E194-A196 PolarHBondContact O-N 3.27Å; A196-D198 PolarHBondContact O-N 3.36Å
197P46.8Very low61.7Low90 Ų90112.3 Ų112.358%0.58458%0.584SS**  trans-59.1124-177.126.6-31.5000106.8T199P197-T199 HydrophobicContact CG-CG2 4.46Å; P197-T199 PolarHBondContact O-N 3.05Å
198D47Very low61.7Low111 Ų111113.4 Ų113.459%0.59458%0.581SS**  trans-5788.2168.5-123.1-25.4000107.1A196 S200 V201A196-D198 PolarHBondContact O-N 3.36Å; D198-S200 PolarHBondContact O-N 3.23Å; D198-S200 VanDerWaalsContact O-N 3.16Å; D198-S200 PolarHBondContact OD1-OG 3.38Å; D198-V201 HydrophobicContact CB-CG2 4.14Å; D198-V201 PolarHBondContact O-N 3.05Å
199T54.6Low61.5Low94 Ų94113.6 Ų113.658%0.57758%0.583SS**Hα-helixtrans-64.7-16.8-178.342.60000111P197 E203P197-T199 HydrophobicContact CG-CG2 4.46Å; P197-T199 PolarHBondContact O-N 3.05Å; T199-E203 WeakPolarHBondContact O-CG 3.49Å; T199-E203 PolarHBondContact O-N 3.22Å
200S54.7Low61.5Low61 Ų61115.1 Ų115.143%0.42759%0.59SS.*Hα-helixtrans-69.9-34177.666.10000114D198 F204D198-S200 PolarHBondContact O-N 3.23Å; D198-S200 VanDerWaalsContact O-N 3.16Å; D198-S200 PolarHBondContact OD1-OG 3.38Å; S200-F204 PolarHBondContact O-N 3.31Å
201V54.8Low62Low89 Ų89116.6 Ų116.654%0.53959%0.594SS.*Hα-helixtrans-73.6-32.9-177.91800000111.1D198 K205D198-V201 HydrophobicContact CB-CG2 4.14Å; D198-V201 PolarHBondContact O-N 3.05Å; V201-K205 PolarHBondContact O-N 3.23Å
202W48.4Very low63.1Low161 Ų161117 Ų11761%0.6159%0.59SS**Hα-helixtrans-73.8-41.8175-51.895.7000111.2F204 K205 D206W202-F204 VanDerWaalsContact C-N 3.32Å; W202-F204 PolarHBondContact O-N 3.16Å; W202-K205 PolarHBondContact O-N 2.7Å; W202-D206 WeakPolarHBondContact O-CB 3.34Å; W202-D206 PolarHBondContact O-N 3.43Å
203E57.4Low64.4Low128 Ų128109.8 Ų109.860%0.59857%0.574SS**Hα-helixtrans-60.8-38.6174.2-78.5-176151.800112.6T199 N207T199-E203 WeakPolarHBondContact O-CG 3.49Å; T199-E203 PolarHBondContact O-N 3.22Å; E203-N207 VanDerWaalsContact O-CB 3.32Å; E203-N207 WeakPolarHBondContact O-CB 3.32Å; E203-N207 VanDerWaalsContact O-CG 3.3Å; E203-N207 PolarHBondContact O-N 2.9Å; E203-N207 PolarHBondContact O-ND2 2.97Å
204F59.5Low65.9Low151 Ų151110.9 Ų110.966%0.66257%0.57SS**Hα-helixtrans-69-38.4177.6-154.9-91.4000112S200 W202 Y208S200-F204 PolarHBondContact O-N 3.31Å; W202-F204 VanDerWaalsContact C-N 3.32Å; W202-F204 PolarHBondContact O-N 3.16Å; F204-Y208 WeakPolarHBondContact O-CB 3.33Å; F204-Y208 PolarHBondContact O-N 3.42Å
205K67.4Low67.7Low125 Ų125107.6 Ų107.654%0.54356%0.56SS.*Hα-helixtrans-70.5-39178.4-166.2176.8173.8-177.90111.9V201 W202 Y208 M209V201-K205 PolarHBondContact O-N 3.23Å; W202-K205 PolarHBondContact O-N 2.7Å; K205-Y208 PolarHBondContact O-N 3.35Å; K205-M209 WeakPolarHBondContact O-CB 3.46Å; K205-M209 WeakPolarHBondContact O-CG 3.32Å; K205-M209 PolarHBondContact O-N 2.98Å
206D73.3Confident69.7Low93 Ų93106.7 Ų106.750%0.49755%0.554SS.*Hα-helixtrans-66.3-47.3176-72-17.2000110.5W202 Y208 M209 F210W202-D206 WeakPolarHBondContact O-CB 3.34Å; W202-D206 PolarHBondContact O-N 3.43Å; D206-Y208 VanDerWaalsContact C-N 3.32Å; D206-Y208 PolarHBondContact O-N 2.97Å; D206-M209 PolarHBondContact O-N 2.9Å; D206-F210 WeakPolarHBondContact O-CD2 3.38Å; D206-F210 PolarHBondContact O-N 3.01Å
207N79.2Confident71.7Confident103 Ų103107.4 Ų107.455%0.55155%0.551SS**Hα-helixtrans-57.9-43174.3-78.4-18.2000112.3E203 F210 I211E203-N207 VanDerWaalsContact O-CB 3.32Å; E203-N207 WeakPolarHBondContact O-CB 3.32Å; E203-N207 VanDerWaalsContact O-CG 3.3Å; E203-N207 PolarHBondContact O-N 2.9Å; E203-N207 PolarHBondContact O-ND2 2.97Å; N207-F210 PolarHBondContact O-N 3.22Å; N207-I211 WeakPolarHBondContact O-CD1 3.35Å; N207-I211 WeakPolarHBondContact O-CG1 3.47Å; N207-I211 PolarHBondContact O-N 3.35Å
208Y80.7Confident73.8Confident139 Ų139107.1 Ų107.155%0.54554%0.543SS..Hα-helixtrans-67.6-39.5178.7-152.5-95.8000112.2F204 K205 D206 I211 I212F204-Y208 WeakPolarHBondContact O-CB 3.33Å; F204-Y208 PolarHBondContact O-N 3.42Å; K205-Y208 PolarHBondContact O-N 3.35Å; D206-Y208 VanDerWaalsContact C-N 3.32Å; D206-Y208 PolarHBondContact O-N 2.97Å; Y208-I211 PolarHBondContact O-N 2.95Å; Y208-I212 HydrophobicContact CD1-CD1 3.6Å; Y208-I212 HydrophobicContact CD1-CG1 4.18Å; Y208-I212 HydrophobicContact CE1-CD1 3.72Å; Y208-I212 HydrophobicContact CE1-CG1 4.23Å; Y208-I212 WeakPolarHBondContact O-CG1 3.21Å; Y208-I212 PolarHBondContact O-N 3.39Å
209M78.8Confident75.8Confident115 Ų115104.5 Ų104.557%0.56754%0.537SS*.Hα-helixtrans-64.3-40.8174.1-79.3-67.1-163.600112.1K205 D206 I212 A213K205-M209 WeakPolarHBondContact O-CB 3.46Å; K205-M209 WeakPolarHBondContact O-CG 3.32Å; K205-M209 PolarHBondContact O-N 2.98Å; D206-M209 PolarHBondContact O-N 2.9Å; M209-I212 PolarHBondContact O-N 3.36Å; M209-A213 WeakPolarHBondContact O-CB 3.36Å; M209-A213 PolarHBondContact O-N 3.38Å
210F82.9Confident77.5Confident150 Ų150103 Ų10366%0.65853%0.534SS*.Hα-helixtrans-62.8-42.2173.7-88.2-72.2000112.1D206 N207 A213 F214D206-F210 WeakPolarHBondContact O-CD2 3.38Å; D206-F210 PolarHBondContact O-N 3.01Å; N207-F210 PolarHBondContact O-N 3.22Å; F210-A213 PolarHBondContact O-N 2.94Å; F210-F214 WeakPolarHBondContact O-CB 3.4Å; F210-F214 PolarHBondContact O-N 3.3Å
211I85Confident79.2Confident103 Ų103103.7 Ų103.753%0.52854%0.535SS..Hα-helixtrans-62.2-46.6176.2-69163.6000110.6N207 Y208 A213 F214 V215N207-I211 WeakPolarHBondContact O-CD1 3.35Å; N207-I211 WeakPolarHBondContact O-CG1 3.47Å; N207-I211 PolarHBondContact O-N 3.35Å; Y208-I211 PolarHBondContact O-N 2.95Å; I211-A213 PolarHBondContact O-N 3.32Å; I211-F214 PolarHBondContact O-N 3.48Å; I211-V215 WeakPolarHBondContact O-CG2 3.19Å; I211-V215 PolarHBondContact O-N 2.91Å
212I87.1Confident80.8Confident82 Ų82104.4 Ų104.442%0.42154%0.536SS..Hα-helixtrans-60.1-47.4177.1-68.5168.7000110.6Y208 M209 F214 V215 V216Y208-I212 HydrophobicContact CD1-CD1 3.6Å; Y208-I212 HydrophobicContact CD1-CG1 4.18Å; Y208-I212 HydrophobicContact CE1-CD1 3.72Å; Y208-I212 HydrophobicContact CE1-CG1 4.23Å; Y208-I212 WeakPolarHBondContact O-CG1 3.21Å; Y208-I212 PolarHBondContact O-N 3.39Å; M209-I212 PolarHBondContact O-N 3.36Å; I212-F214 VanDerWaalsContact C-N 3.33Å; I212-F214 PolarHBondContact O-N 3.07Å; I212-V215 PolarHBondContact O-N 2.87Å; I212-V216 WeakPolarHBondContact O-CG2 3.29Å; I212-V216 PolarHBondContact O-N 2.9Å; I212-V216 VanDerWaalsContact O-N 3.07Å
213A86.1Confident82.6Confident53 Ų53103.5 Ų103.544%0.43854%0.536SS..Hα-helixtrans-60.5-42.217900000111.9M209 F210 I211 V216 V217M209-A213 WeakPolarHBondContact O-CB 3.36Å; M209-A213 PolarHBondContact O-N 3.38Å; F210-A213 PolarHBondContact O-N 2.94Å; I211-A213 PolarHBondContact O-N 3.32Å; A213-V216 PolarHBondContact O-N 3.44Å; A213-V217 WeakPolarHBondContact O-CG2 3.46Å; A213-V217 PolarHBondContact O-N 2.93Å
214F90.7Very high84Confident139 Ų13999.3 Ų99.361%0.6153%0.528SS*.Hα-helixtrans-62.7-44.1177.4-174-98.2000112.2F210 I211 I212 V216 V217 M218F210-F214 WeakPolarHBondContact O-CB 3.4Å; F210-F214 PolarHBondContact O-N 3.3Å; I211-F214 PolarHBondContact O-N 3.48Å; I212-F214 VanDerWaalsContact C-N 3.33Å; I212-F214 PolarHBondContact O-N 3.07Å; F214-V216 VanDerWaalsContact C-N 3.34Å; F214-V216 PolarHBondContact O-N 3.42Å; F214-V217 PolarHBondContact O-N 3.4Å; F214-M218 HydrophobicContact CD1-CG 4.1Å; F214-M218 HydrophobicContact CE1-CG 3.71Å; F214-M218 HydrophobicContact CE2-CG 4.41Å; F214-M218 HydrophobicContact CZ-CG 3.89Å; F214-M218 HydrophobicContact CZ-SD 4.15Å; F214-M218 WeakPolarHBondContact O-CG 3.36Å; F214-M218 PolarHBondContact O-N 3.4Å
215V91.3Very high85.3Confident88 Ų8896.7 Ų96.753%0.53352%0.52SS..Hα-helixtrans-61.9-41.6177.4171.70000111.4I211 I212 M218 A219I211-V215 WeakPolarHBondContact O-CG2 3.19Å; I211-V215 PolarHBondContact O-N 2.91Å; I212-V215 PolarHBondContact O-N 2.87Å; V215-M218 PolarHBondContact O-N 3.38Å; V215-A219 WeakPolarHBondContact O-CB 3.37Å; V215-A219 PolarHBondContact O-N 2.97Å
216V89.9Confident86.1Confident93 Ų9396.3 Ų96.356%0.56452%0.521SS*.Hα-helixtrans-64.4-43.3178173.30000111.5I212 A213 F214 A219 A220I212-V216 WeakPolarHBondContact O-CG2 3.29Å; I212-V216 PolarHBondContact O-N 2.9Å; I212-V216 VanDerWaalsContact O-N 3.07Å; A213-V216 PolarHBondContact O-N 3.44Å; F214-V216 VanDerWaalsContact C-N 3.34Å; F214-V216 PolarHBondContact O-N 3.42Å; V216-A219 PolarHBondContact O-N 3.33Å; V216-A220 PolarHBondContact O-N 3.04Å
217V90.2Very high86.3Confident88 Ų8898.7 Ų98.753%0.53353%0.53SS..Hα-helixtrans-63.6-45.7177.1172.20000111A213 F214 A219 A220 V221A213-V217 WeakPolarHBondContact O-CG2 3.46Å; A213-V217 PolarHBondContact O-N 2.93Å; F214-V217 PolarHBondContact O-N 3.4Å; V217-A219 VanDerWaalsContact C-N 3.34Å; V217-A219 PolarHBondContact O-N 3.45Å; V217-A220 PolarHBondContact O-N 3.45Å; V217-V221 HydrophobicContact CG1-CG2 4.5Å; V217-V221 WeakPolarHBondContact O-CG2 3.16Å; V217-V221 PolarHBondContact O-N 3.49Å
218M90.5Very high86.1Confident84 Ų84101.4 Ų101.441%0.41454%0.538SS..Hα-helixtrans-62.7-40.8177.8-71.5-58.5-64.100112F214 V215 A220 V221 L222F214-M218 HydrophobicContact CD1-CG 4.1Å; F214-M218 HydrophobicContact CE1-CG 3.71Å; F214-M218 HydrophobicContact CE2-CG 4.41Å; F214-M218 HydrophobicContact CZ-CG 3.89Å; F214-M218 HydrophobicContact CZ-SD 4.15Å; F214-M218 WeakPolarHBondContact O-CG 3.36Å; F214-M218 PolarHBondContact O-N 3.4Å; V215-M218 PolarHBondContact O-N 3.38Å; M218-A220 PolarHBondContact O-N 2.94Å; M218-V221 PolarHBondContact O-N 3.5Å; M218-L222 WeakPolarHBondContact O-CB 3.43Å; M218-L222 VanDerWaalsContact O-CG 3.29Å; M218-L222 WeakPolarHBondContact O-CG 3.34Å; M218-L222 PolarHBondContact O-N 3.44Å
219A89.9Confident85.7Confident55 Ų55103.1 Ų103.146%0.45555%0.549SS..Hα-helixtrans-62.5-41.317500000112V215 V216 V217 L222 F223V215-A219 WeakPolarHBondContact O-CB 3.37Å; V215-A219 PolarHBondContact O-N 2.97Å; V216-A219 PolarHBondContact O-N 3.33Å; V217-A219 VanDerWaalsContact C-N 3.34Å; V217-A219 PolarHBondContact O-N 3.45Å; A219-L222 PolarHBondContact O-N 3Å; A219-F223 WeakPolarHBondContact O-CB 3.36Å; A219-F223 PolarHBondContact O-N 3.06Å
220A89.9Confident84.7Confident63 Ų63108.5 Ų108.552%0.52157%0.57SS.*Hα-helixtrans-65.4-41.1176.800000112.4V216 V217 M218 F223 G224V216-A220 PolarHBondContact O-N 3.04Å; V217-A220 PolarHBondContact O-N 3.45Å; M218-A220 PolarHBondContact O-N 2.94Å; A220-F223 PolarHBondContact O-N 3.37Å; A220-G224 PolarHBondContact O-N 3.33Å
221V89.6Confident84.8Confident75 Ų75106.4 Ų106.446%0.45557%0.565SS.*Hα-helixtrans-64.2-45.1175.6172.90000110.9V217 M218 F223 G224 L225V217-V221 HydrophobicContact CG1-CG2 4.5Å; V217-V221 WeakPolarHBondContact O-CG2 3.16Å; V217-V221 PolarHBondContact O-N 3.49Å; M218-V221 PolarHBondContact O-N 3.5Å; V221-F223 PolarHBondContact O-N 2.92Å; V221-G224 PolarHBondContact O-N 2.91Å; V221-L225 HydrophobicContact CG1-CD1 3.98Å; V221-L225 HydrophobicContact CG1-CG 4.47Å; V221-L225 WeakPolarHBondContact O-CB 3.36Å; V221-L225 WeakPolarHBondContact O-CG 3.38Å; V221-L225 PolarHBondContact O-N 3.4Å
222L88.8Confident84.8Confident104 Ų104106.6 Ų106.655%0.54557%0.567SS.*Hα-helixtrans-62.5-42.3176.5-72171.7000111.7M218 A219 L225 M226M218-L222 WeakPolarHBondContact O-CB 3.43Å; M218-L222 VanDerWaalsContact O-CG 3.29Å; M218-L222 WeakPolarHBondContact O-CG 3.34Å; M218-L222 PolarHBondContact O-N 3.44Å; A219-L222 PolarHBondContact O-N 3Å; L222-L225 PolarHBondContact O-N 3.43Å; L222-M226 WeakPolarHBondContact O-CB 3.49Å; L222-M226 WeakPolarHBondContact O-CG 3.37Å; L222-M226 PolarHBondContact O-N 3.49Å
223F86.6Confident84.7Confident143 Ų143107.9 Ų107.963%0.62758%0.575SS**Hα-helixtrans-64.6-41177.2-156.7-91.8000111.8A219 A220 V221 M226 Q227A219-F223 WeakPolarHBondContact O-CB 3.36Å; A219-F223 PolarHBondContact O-N 3.06Å; A220-F223 PolarHBondContact O-N 3.37Å; V221-F223 PolarHBondContact O-N 2.92Å; F223-M226 PolarHBondContact O-N 3.41Å; F223-Q227 HydrophobicContact CD1-CG 4.4Å; F223-Q227 HydrophobicContact CE1-CG 4.3Å; F223-Q227 PolarHBondContact O-N 2.91Å
224G87.4Confident84.6Confident40 Ų40111.2 Ų111.241%0.41258%0.583SS.*Hα-helixtrans-64.2-41174.900000113.1A220 V221 Q227 H228A220-G224 PolarHBondContact O-N 3.33Å; V221-G224 PolarHBondContact O-N 2.91Å; G224-Q227 PolarHBondContact O-N 2.97Å; G224-H228 PolarHBondContact O-N 3.3Å
225L86.4Confident84.2Confident95 Ų95109.4 Ų109.450%0.49758%0.582SS.*Hα-helixtrans-67.3-38.2175.5-72.6171.1000112.1V221 L222 Q227 H228 F229V221-L225 HydrophobicContact CG1-CD1 3.98Å; V221-L225 HydrophobicContact CG1-CG 4.47Å; V221-L225 WeakPolarHBondContact O-CB 3.36Å; V221-L225 WeakPolarHBondContact O-CG 3.38Å; V221-L225 PolarHBondContact O-N 3.4Å; L222-L225 PolarHBondContact O-N 3.43Å; L225-Q227 VanDerWaalsContact C-N 3.33Å; L225-Q227 PolarHBondContact O-N 3.23Å; L225-H228 PolarHBondContact O-N 3.22Å; L225-H228 VanDerWaalsContact O-N 3.14Å; L225-F229 PolarHBondContact O-N 3.45Å
226M83.7Confident83.8Confident118 Ų118110.9 Ų110.958%0.58159%0.585SS**Hα-helixtrans-65.4-35.8176.1-70.7-74.1-97.200111.9L222 F223 H228 F229 F230L222-M226 WeakPolarHBondContact O-CB 3.49Å; L222-M226 WeakPolarHBondContact O-CG 3.37Å; L222-M226 PolarHBondContact O-N 3.49Å; F223-M226 PolarHBondContact O-N 3.41Å; M226-H228 VanDerWaalsContact C-N 3.27Å; M226-H228 PolarHBondContact O-N 3.37Å; M226-F229 PolarHBondContact O-N 3.14Å; M226-F230 PolarHBondContact O-N 3.28Å
227Q78.6Confident83.3Confident143 Ų143112.1 Ų112.167%0.66859%0.587SS**Hα-helixtrans-71.5-16.8173.1-74-150.7-47.200114.3F223 G224 L225F223-Q227 HydrophobicContact CD1-CG 4.4Å; F223-Q227 HydrophobicContact CE1-CG 4.3Å; F223-Q227 PolarHBondContact O-N 2.91Å; G224-Q227 PolarHBondContact O-N 2.97Å; L225-Q227 VanDerWaalsContact C-N 3.33Å; L225-Q227 PolarHBondContact O-N 3.23Å
228H74.8Confident82.8Confident159 Ų159114 Ų11474%0.73659%0.591SS**Hα-helixtrans-92.3-16.8176.7-165.3-71.1000112.7G224 L225 M226G224-H228 PolarHBondContact O-N 3.3Å; L225-H228 PolarHBondContact O-N 3.22Å; L225-H228 VanDerWaalsContact O-N 3.14Å; M226-H228 VanDerWaalsContact C-N 3.27Å; M226-H228 PolarHBondContact O-N 3.37Å
229F72.5Confident82.2Confident176 Ų176116.5 Ų116.577%0.77261%0.605SS**Hα-helixtrans-104.4-8.6-179-93.1-85.9000114.6L225 M226L225-F229 PolarHBondContact O-N 3.45Å; M226-F229 PolarHBondContact O-N 3.14Å
230F57.7Low81.5Confident227 Ų227122.1 Ų122.1100%0.99662%0.619SS**  trans-112.40171.2-88.8-85.9000110.8M226M226-F230 PolarHBondContact O-N 3.28Å

Retrieved 230 of 230 residues in 40.6 ms (Link to these results)

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