A0A077ZFS2_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 A0A077ZFS2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 126 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
1M58.1Low90.2Very high243 Ų24382 Ų82100%1.19744%0.437SS*.  0135.90-118.9167.9177.100108
2A75.2Confident90.9Very high103 Ų10383.8 Ų83.885%0.85144%0.441SS*.PPolyproline II helixtrans-66.9133.9175.300000109.5Q4A2-Q4 PolarHBondContact O-N 3.11Å
3K85.1Confident91.5Very high99 Ų9979.4 Ų79.443%0.4342%0.42SS..PPolyproline II helixtrans-66.2128174.7-66.2175.1-169.41640108.6D112 I114K3-D112 VanDerWaalsContact CE-CG 3.43Å; K3-D112 WeakPolarHBondContact CE-O 3.15Å; K3-D112 WeakPolarHBondContact CE-OD2 3.28Å; K3-D112 IonicContact NZ-OD1 3.67Å; K3-D112 PolarHBondContact NZ-OD1 3.22Å; K3-D112 IonicContact NZ-OD2 3.97Å; K3-D112 PolarHBondContact NZ-OD2 3.19Å; K3-I114 HydrophobicContact CB-CD1 3.69Å; K3-I114 HydrophobicContact CB-CG1 3.9Å; K3-I114 HydrophobicContact CD-CG1 4.26Å
4Q91.3Very high91.9Very high104 Ų10481.4 Ų81.449%0.48643%0.43SS..PPolyproline II helixtrans-75.7133.4176.3-175.8178.115.300109.9A2 K39 L95A2-Q4 PolarHBondContact O-N 3.11Å; Q4-K39 VanDerWaalsContact OE1-CE 3.29Å; Q4-L95 HydrophobicContact CB-CD1 3.6Å; Q4-L95 HydrophobicContact CG-CD1 3.7Å; Q4-L95 WeakPolarHBondContact O-CD1 3.36Å
5M95Very high92.3Very high121 Ų12181.2 Ų81.260%0.59643%0.429SS*.PPolyproline II helixtrans-73.1129.7175.6-173.5172.8-73.700109.8I114 R116M5-I114 HydrophobicContact CB-CD1 4.45Å; M5-R116 PolarHBondContact SD-NH1 3.44Å
6P97.4Very high92.6Very high2 Ų282.3 Ų82.31%0.01343%0.429CS..PPolyproline II helixtrans-60.2146.8170.7-17.828.5000110.7L41 L95 I114 R116P6-L41 HydrophobicContact CB-CD2 3.91Å; P6-L95 HydrophobicContact CB-CD2 4.48Å; P6-L95 HydrophobicContact CB-CG 4.18Å; P6-L95 HydrophobicContact CG-CG 4.15Å; P6-I114 WeakPolarHBondContact CG-O 3.32Å; P6-R116 HydrophobicContact CB-CG 4.33Å; P6-R116 HydrophobicContact CG-CG 4.23Å; P6-R116 WeakPolarHBondContact O-CD 3.5Å; P6-R116 PolarHBondContact O-NH1 3.1Å; P6-R116 VanDerWaalsContact O-NH1 3.08Å
7A97.8Very high92.9Very high34 Ų3477.5 Ų77.528%0.28140%0.404SS..PPolyproline II helixtrans-62.3162.617000000110.7G37 W93A7-G37 VanDerWaalsContact CB-CA 3.41Å; A7-W93 PolarHBondContact O-NE1 3.49Å
8D97.7Very high93.2Very high83 Ų8379.4 Ų79.444%0.44441%0.406SS..PPolyproline II helixtrans-69160.1170.5-81.5-55.7000112.1T36 R116D8-T36 PolarHBondContact O-N 3.01Å; D8-T36 PolarHBondContact O-OG1 3.07Å; D8-R116 IonicContact OD1-CZ 2.75Å; D8-R116 IonicContact OD1-NE 3.65Å; D8-R116 PolarHBondContact OD1-NE 3.21Å; D8-R116 IonicContact OD1-NH2 2.56Å; D8-R116 PolarHBondContact OD1-NH2 2.93Å; D8-R116 IonicContact OD2-CZ 2.78Å; D8-R116 IonicContact OD2-NH2 2.66Å; D8-R116 PolarHBondContact OD2-NH2 2.94Å; D8-R116 VanDerWaalsContact OD2-NH2 3.11Å
9I98.3Very high93.4Very high11 Ų1175.4 Ų75.46%0.05639%0.386CS..EExtended strand (participates in β ladder)trans-111.5143.4167.363.9172000109.9T11 V33 T34 L41 I91 W93 K118I9-T11 HydrophobicContact CD1-CG2 4.12Å; I9-T11 HydrophobicContact CG1-CG2 4.47Å; I9-V33 HydrophobicContact CB-CG2 4.07Å; I9-V33 HydrophobicContact CD1-CG2 3.69Å; I9-V33 HydrophobicContact CG1-CG2 4.38Å; I9-V33 HydrophobicContact CG2-CG2 4.33Å; I9-T34 CarbonylContact C-O 3.55Å; I9-T34 WeakPolarHBondContact CA-O 3.4Å; I9-T34 WeakPolarHBondContact CB-O 3.36Å; I9-L41 HydrophobicContact CG2-CD1 3.75Å; I9-I91 HydrophobicContact CD1-CB 4.18Å; I9-I91 HydrophobicContact CD1-CD1 4.42Å; I9-I91 HydrophobicContact CD1-CG2 3.65Å; I9-W93 HydrophobicContact CB-CZ2 4.47Å; I9-W93 HydrophobicContact CD1-CD2 4.08Å; I9-W93 HydrophobicContact CD1-CE3 3.51Å; I9-W93 HydrophobicContact CD1-CH2 3.96Å; I9-W93 HydrophobicContact CD1-CZ2 4.44Å; I9-W93 HydrophobicContact CD1-CZ3 3.43Å; I9-W93 VanDerWaalsContact CD1-CZ3 3.43Å; I9-W93 HydrophobicContact CG1-CD2 4.21Å; I9-W93 HydrophobicContact CG1-CE3 3.97Å; I9-W93 HydrophobicContact CG1-CH2 3.6Å; I9-W93 HydrophobicContact CG1-CZ2 3.81Å; I9-W93 HydrophobicContact CG1-CZ3 3.65Å; I9-W93 HydrophobicContact CG2-CD2 4Å; I9-W93 HydrophobicContact CG2-CG 4.25Å; I9-W93 HydrophobicContact CG2-CZ2 4.31Å; I9-K118 HydrophobicContact CD1-CB 4.4Å; I9-K118 HydrophobicContact CG1-CD 4.25Å
10K98.4Very high93.5Very high99 Ų9975.8 Ų75.843%0.4339%0.389SS..EExtended strand (participates in β ladder)trans-89.6146.4162.3-171.1-171.7-179.2-160.30108.4E12 V33 T34 T36K10-E12 VanDerWaalsContact CE-OE1 3.31Å; K10-E12 WeakPolarHBondContact CE-OE1 3.4Å; K10-E12 IonicContact NZ-OE1 2.62Å; K10-E12 PolarHBondContact NZ-OE1 2.64Å; K10-V33 WeakPolarHBondContact O-CA 2.86Å; K10-T34 PolarHBondContact N-O 2.88Å; K10-T34 PolarHBondContact O-N 2.81Å; K10-T36 HydrophobicContact CB-CG2 4.18Å
11T98.6Very high93.5Very high3 Ų373.7 Ų73.72%0.01838%0.382CS..EExtended strand (participates in β ladder)trans-129.4146.7171.954.40000109.9I9 P13 L14 A32 I91 K118 I120I9-T11 HydrophobicContact CD1-CG2 4.12Å; I9-T11 HydrophobicContact CG1-CG2 4.47Å; T11-P13 CarbonylContact C-O 3.47Å; T11-P13 VanDerWaalsContact CB-O 3.29Å; T11-P13 WeakPolarHBondContact CB-O 3.43Å; T11-P13 CarbonylContact O-C 3.54Å; T11-P13 PolarHBondContact OG1-O 2.75Å; T11-L14 WeakPolarHBondContact O-CA 3.5Å; T11-L14 PolarHBondContact OG1-O 2.94Å; T11-A32 CarbonylContact C-O 3.58Å; T11-A32 WeakPolarHBondContact CA-O 3.5Å; T11-I91 HydrophobicContact CG2-CD1 3.68Å; T11-K118 HydrophobicContact CG2-CD 3.84Å; T11-K118 WeakPolarHBondContact OG1-CE 3.48Å; T11-K118 PolarHBondContact OG1-NZ 2.85Å; T11-I120 HydrophobicContact CG2-CD1 4.47Å
12E98.3Very high95.3Very high104 Ų10465.7 Ų65.749%0.48635%0.349SS..EExtended strand (participates in β ladder)trans-127.8112.1168.1-63.9178.7-174.800107.8K10 I31 A32K10-E12 VanDerWaalsContact CE-OE1 3.31Å; K10-E12 WeakPolarHBondContact CE-OE1 3.4Å; K10-E12 IonicContact NZ-OE1 2.62Å; K10-E12 PolarHBondContact NZ-OE1 2.64Å; E12-I31 CarbonylContact O-C 3.56Å; E12-I31 WeakPolarHBondContact O-CA 3.36Å; E12-A32 HydrophobicContact CB-CB 4.14Å; E12-A32 PolarHBondContact N-O 2.76Å; E12-A32 PolarHBondContact O-N 3.18Å
13P98Very high96.2Very high26 Ų2661.2 Ų61.217%0.16931%0.31CS..SBendcis-69.91633.832.4-37.3000113.1T11 K16 L17 Y29 I120T11-P13 CarbonylContact C-O 3.47Å; T11-P13 VanDerWaalsContact CB-O 3.29Å; T11-P13 WeakPolarHBondContact CB-O 3.43Å; T11-P13 CarbonylContact O-C 3.54Å; T11-P13 PolarHBondContact OG1-O 2.75Å; P13-K16 WeakPolarHBondContact CB-O 3.13Å; P13-K16 VanDerWaalsContact CG-O 3.24Å; P13-K16 WeakPolarHBondContact CG-O 3.31Å; P13-L17 HydrophobicContact CG-CB 4.19Å; P13-Y29 HydrophobicContact CG-CE1 4.12Å; P13-I120 HydrophobicContact CG-CG2 4.43Å
14L97.8Very high96.8Very high107 Ų10765.1 Ų65.156%0.5633%0.327SS*.SBendtrans-69.5-54.4-173-176.466.5000112.4T11 K118T11-L14 WeakPolarHBondContact O-CA 3.5Å; T11-L14 PolarHBondContact OG1-O 2.94Å; L14-K118 WeakPolarHBondContact O-CE 3.47Å; L14-K118 PolarHBondContact O-NZ 3.45Å
15D97.2Very high97Very high79 Ų7966 Ų6642%0.42233%0.331SS..SBendtrans-147.5-9.4-170.464.8-19.1000113.8I120 T121D15-I120 CarbonylContact O-C 3.55Å; D15-I120 WeakPolarHBondContact O-CA 3.44Å; D15-T121 PolarHBondContact O-N 3.24Å
16K98.1Very high97.1Very high99 Ų9965.7 Ų65.743%0.4333%0.327SS..EExtended strand (participates in β ladder)trans-134.1137.9-178.5-60.9-179.8-173.2173.90111.8P13 Y18 T121 F123P13-K16 WeakPolarHBondContact CB-O 3.13Å; P13-K16 VanDerWaalsContact CG-O 3.24Å; P13-K16 WeakPolarHBondContact CG-O 3.31Å; K16-Y18 HydrophobicContact CB-CE2 4.02Å; K16-T121 CarbonylContact C-O 3.57Å; K16-T121 WeakPolarHBondContact CA-O 3.14Å; K16-F123 HydrophobicContact CB-CD2 4.46Å; K16-F123 HydrophobicContact CB-CE2 4.17Å; K16-F123 HydrophobicContact CD-CE2 4.1Å; K16-F123 HydrophobicContact CG-CE2 3.89Å
17L97.7Very high97.1Very high0 Ų067.4 Ų67.40%033%0.334CS..EExtended strand (participates in β ladder)trans-131.3141.2175.2-177.3154.3000109P13 F19 Y29 I31 I89 I120 T121 V122 F123P13-L17 HydrophobicContact CG-CB 4.19Å; L17-F19 HydrophobicContact CD2-CD1 4.41Å; L17-F19 HydrophobicContact CD2-CD2 3.59Å; L17-F19 HydrophobicContact CD2-CE1 4.25Å; L17-F19 HydrophobicContact CD2-CE2 3.37Å; L17-F19 HydrophobicContact CD2-CG 4.11Å; L17-F19 HydrophobicContact CD2-CZ 3.74Å; L17-Y29 HydrophobicContact CD1-CD1 3.43Å; L17-Y29 VanDerWaalsContact CD1-CD1 3.43Å; L17-Y29 HydrophobicContact CD1-CD2 4.03Å; L17-Y29 HydrophobicContact CD1-CE1 3.97Å; L17-Y29 HydrophobicContact CD1-CE2 4.44Å; L17-Y29 HydrophobicContact CD1-CG 3.5Å; L17-Y29 VanDerWaalsContact CD1-CG 3.5Å; L17-Y29 HydrophobicContact CD2-CD2 4.04Å; L17-Y29 HydrophobicContact CD2-CG 4.19Å; L17-Y29 HydrophobicContact CG-CD1 4.02Å; L17-Y29 HydrophobicContact CG-CD2 3.77Å; L17-Y29 HydrophobicContact CG-CE1 4.26Å; L17-Y29 HydrophobicContact CG-CE2 3.96Å; L17-Y29 HydrophobicContact CG-CG 3.8Å; L17-I31 HydrophobicContact CD1-CD1 3.7Å; L17-I31 HydrophobicContact CD1-CG1 3.97Å; L17-I89 HydrophobicContact CD1-CD1 4.24Å; L17-I120 HydrophobicContact CB-CG2 3.86Å; L17-T121 PolarHBondContact N-O 3.39Å; L17-V122 HydrophobicContact CD2-CG1 4.07Å; L17-V122 HydrophobicContact CD2-CG2 4.42Å; L17-V122 CarbonylContact O-C 3.57Å; L17-V122 WeakPolarHBondContact O-CA 3.02Å; L17-F123 PolarHBondContact O-N 3.15Å
18Y97Very high97Very high112 Ų11271.1 Ų71.144%0.43935%0.349SS..EExtended strand (participates in β ladder)trans-121.1123.7-179.7-64.8-96.1000110.6K16 F123K16-Y18 HydrophobicContact CB-CE2 4.02Å; Y18-F123 WeakPolarHBondContact CA-O 3.38Å; Y18-F123 HydrophobicContact CD1-CB 3.45Å; Y18-F123 VanDerWaalsContact CD1-CB 3.45Å; Y18-F123 HydrophobicContact CD1-CG 4.15Å; Y18-F123 HydrophobicContact CE1-CB 3.54Å; Y18-F123 HydrophobicContact CE1-CD1 4.31Å; Y18-F123 HydrophobicContact CE1-CD2 4.04Å; Y18-F123 AromaticContact CE1-CG 3.72Å; Y18-F123 HydrophobicContact CE1-CG 3.72Å; Y18-F123 HydrophobicContact CG-CB 4.22Å
19F96.7Very high97Very high4 Ų471 Ų712%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-98.3116.1163-71.3-67.1000108.6L17 F23 K27 A72 T74 V122 F123 Y124 N125L17-F19 HydrophobicContact CD2-CD1 4.41Å; L17-F19 HydrophobicContact CD2-CD2 3.59Å; L17-F19 HydrophobicContact CD2-CE1 4.25Å; L17-F19 HydrophobicContact CD2-CE2 3.37Å; L17-F19 HydrophobicContact CD2-CG 4.11Å; L17-F19 HydrophobicContact CD2-CZ 3.74Å; F19-F23 HydrophobicContact CB-CE1 4.18Å; F19-F23 WeakPolarHBondContact O-CE1 3.3Å; F19-K27 HydrophobicContact CD1-CB 3.72Å; F19-K27 HydrophobicContact CD1-CD 4.42Å; F19-K27 HydrophobicContact CE1-CB 3.97Å; F19-A72 HydrophobicContact CZ-CB 4.47Å; F19-T74 HydrophobicContact CB-CG2 4.49Å; F19-T74 HydrophobicContact CD1-CG2 3.83Å; F19-T74 HydrophobicContact CD2-CG2 4.33Å; F19-T74 HydrophobicContact CE1-CG2 4.04Å; F19-T74 HydrophobicContact CG-CG2 3.98Å; F19-T74 HydrophobicContact CZ-CG2 4.39Å; F19-V122 HydrophobicContact CD2-CG1 3.58Å; F19-V122 HydrophobicContact CE2-CG1 3.84Å; F19-F123 PolarHBondContact N-O 3.16Å; F19-Y124 HydrophobicContact CB-CD1 3.92Å; F19-Y124 HydrophobicContact CB-CE1 4.16Å; F19-Y124 HydrophobicContact CD2-CD1 4.45Å; F19-Y124 AromaticContact CD2-CE1 3.88Å; F19-Y124 HydrophobicContact CD2-CE1 3.88Å; F19-Y124 HydrophobicContact CG-CE1 4.44Å; F19-Y124 WeakPolarHBondContact O-CA 3.35Å; F19-N125 PolarHBondContact O-N 3.41Å
20N95.5Very high97Very high83 Ų8377.3 Ų77.344%0.44437%0.37SS..EExtended strand (participates in β ladder)trans-85.9154.2178.3-60.9-63.5000110.9K27 N125N20-K27 VanDerWaalsContact O-CD 3.28Å; N20-K27 WeakPolarHBondContact O-CD 3.39Å; N20-K27 WeakPolarHBondContact O-CE 3.36Å; N20-K27 PolarHBondContact O-NZ 3.36Å; N20-N125 CarbonylContact C-O 3.45Å; N20-N125 VanDerWaalsContact OD1-CB 3.31Å; N20-N125 WeakPolarHBondContact OD1-CB 3.31Å; N20-N125 PolarHBondContact OD1-ND2 3.41Å
21A94.4Very high97Very high31 Ų3172.6 Ų72.626%0.25635%0.349SS..SBendtrans-62.1166.1166.900000112.1F23 K27 N125 P126A21-F23 HydrophobicContact CB-CD2 4.28Å; A21-F23 HydrophobicContact CB-CE2 3.92Å; A21-F23 HydrophobicContact CB-CZ 4.32Å; A21-K27 PolarHBondContact O-NZ 2.84Å; A21-N125 WeakPolarHBondContact CB-O 3.24Å; A21-N125 PolarHBondContact N-O 2.63Å; A21-P126 VanDerWaalsContact CB-C 3.42Å; A21-P126 WeakPolarHBondContact CB-OXT 3.45Å
22P95.3Very high97Very high76 Ų7672.8 Ų72.849%0.49435%0.351SS..PPolyproline II helixcis-72.2144.7-8.331-34.9000111.9K24 K27P22-K24 HydrophobicContact CB-CG 4.31Å; P22-K24 PolarHBondContact O-N 2.79Å; P22-K27 WeakPolarHBondContact O-CE 3.23Å; P22-K27 PolarHBondContact O-NZ 2.8Å
23F95.3Very high97Very high8 Ų867.9 Ų67.94%0.03533%0.328CS..THydrogen-bonded Turntrans-90.734176.2-53.1-73000112.7F19 A21 V76 F77 P79 L84 Y124 N125F19-F23 HydrophobicContact CB-CE1 4.18Å; F19-F23 WeakPolarHBondContact O-CE1 3.3Å; A21-F23 HydrophobicContact CB-CD2 4.28Å; A21-F23 HydrophobicContact CB-CE2 3.92Å; A21-F23 HydrophobicContact CB-CZ 4.32Å; F23-V76 WeakPolarHBondContact O-CG1 3.45Å; F23-F77 HydrophobicContact CB-CD1 4.13Å; F23-F77 HydrophobicContact CB-CE1 3.97Å; F23-F77 HydrophobicContact CB-CE2 4.37Å; F23-F77 HydrophobicContact CB-CG 4.4Å; F23-F77 HydrophobicContact CB-CZ 4.1Å; F23-F77 WeakPolarHBondContact CB-O 3.39Å; F23-F77 HydrophobicContact CD1-CD1 4.39Å; F23-F77 AromaticContact CD1-CE1 3.45Å; F23-F77 HydrophobicContact CD1-CE1 3.45Å; F23-F77 VanDerWaalsContact CD1-CE1 3.45Å; F23-F77 HydrophobicContact CD1-CE2 4.36Å; F23-F77 AromaticContact CD1-CZ 3.43Å; F23-F77 HydrophobicContact CD1-CZ 3.43Å; F23-F77 VanDerWaalsContact CD1-CZ 3.43Å; F23-F77 HydrophobicContact CD2-CE2 4.05Å; F23-F77 AromaticContact CD2-CZ 3.88Å; F23-F77 HydrophobicContact CD2-CZ 3.88Å; F23-F77 HydrophobicContact CE1-CE1 4.06Å; F23-F77 AromaticContact CE1-CZ 3.73Å; F23-F77 HydrophobicContact CE1-CZ 3.73Å; F23-F77 HydrophobicContact CE2-CE2 4.43Å; F23-F77 HydrophobicContact CE2-CZ 4.13Å; F23-F77 HydrophobicContact CG-CD1 4.37Å; F23-F77 AromaticContact CG-CE1 3.73Å; F23-F77 HydrophobicContact CG-CE1 3.73Å; F23-F77 AromaticContact CG-CE2 4Å; F23-F77 HydrophobicContact CG-CE2 4Å; F23-F77 AromaticContact CG-CZ 3.51Å; F23-F77 HydrophobicContact CG-CZ 3.51Å; F23-F77 HydrophobicContact CZ-CZ 4.07Å; F23-F77 PolarHBondContact O-N 2.81Å; F23-P79 HydrophobicContact CD2-CB 3.74Å; F23-P79 HydrophobicContact CD2-CG 4.21Å; F23-P79 HydrophobicContact CE2-CB 3.95Å; F23-L84 HydrophobicContact CE2-CD2 3.86Å; F23-L84 HydrophobicContact CZ-CD2 4.22Å; F23-Y124 AromaticContact CE1-CD1 3.94Å; F23-Y124 HydrophobicContact CE1-CD1 3.94Å; F23-Y124 HydrophobicContact CZ-CD1 4.33Å; F23-N125 WeakPolarHBondContact CZ-O 3.44Å
24K95.9Very high97Very high182 Ų18267.9 Ų67.979%0.79133%0.328SS*.THydrogen-bonded Turntrans-91.9-7.3-178.2-65.3-175.9178.6-177.90113.5P22P22-K24 HydrophobicContact CB-CG 4.31Å; P22-K24 PolarHBondContact O-N 2.79Å
25E96.2Very high97.1Very high122 Ų12262.8 Ų62.857%0.5730%0.301SS*.SBendtrans-138.5158178.562.5-174.4-178.300109.4
26K97.3Very high97.1Very high115 Ų11562.8 Ų62.850%0.530%0.304SS..  trans-64.3141.4174.2-60.2-164.9-172.1-150.90109.7V73 T74 E75K26-V73 HydrophobicContact CB-CG1 4.19Å; K26-V73 HydrophobicContact CD-CG1 4.08Å; K26-T74 VanDerWaalsContact CA-O 3.23Å; K26-T74 WeakPolarHBondContact CA-O 2.95Å; K26-E75 WeakPolarHBondContact CE-OE1 3.48Å; K26-E75 WeakPolarHBondContact CE-OE2 3.31Å; K26-E75 IonicContact NZ-OE1 2.71Å; K26-E75 PolarHBondContact NZ-OE1 2.93Å; K26-E75 IonicContact NZ-OE2 3.69Å; K26-E75 PolarHBondContact NZ-OE2 2.83Å
27K96.7Very high97.1Very high37 Ų3758.5 Ų58.516%0.16129%0.288CS..EExtended strand (participates in β ladder)trans-116.8135.6174.5-51.6-171-179.6-124.90110.5F19 N20 A21 P22 V73 T74F19-K27 HydrophobicContact CD1-CB 3.72Å; F19-K27 HydrophobicContact CD1-CD 4.42Å; F19-K27 HydrophobicContact CE1-CB 3.97Å; N20-K27 VanDerWaalsContact O-CD 3.28Å; N20-K27 WeakPolarHBondContact O-CD 3.39Å; N20-K27 WeakPolarHBondContact O-CE 3.36Å; N20-K27 PolarHBondContact O-NZ 3.36Å; A21-K27 PolarHBondContact O-NZ 2.84Å; P22-K27 WeakPolarHBondContact O-CE 3.23Å; P22-K27 PolarHBondContact O-NZ 2.8Å; K27-V73 CarbonylContact O-C 3.55Å; K27-V73 VanDerWaalsContact O-CA 3.31Å; K27-V73 WeakPolarHBondContact O-CA 3.44Å; K27-T74 HydrophobicContact CB-CG2 3.72Å; K27-T74 HydrophobicContact CG-CG2 4.05Å; K27-T74 PolarHBondContact N-O 3.29Å; K27-T74 VanDerWaalsContact N-O 3.09Å; K27-T74 PolarHBondContact O-N 2.94Å
28N96.7Very high97Very high112 Ų11262.9 Ų62.960%0.59933%0.325SS*.EExtended strand (participates in β ladder)trans-105.8131.8178.6-59.9-60.9000108.7T71 A72 V73N28-T71 HydrophobicContact CB-CG2 3.78Å; N28-A72 CarbonylContact C-O 3.54Å; N28-A72 WeakPolarHBondContact CA-O 3.36Å; N28-V73 WeakPolarHBondContact OD1-CG2 3.37Å
29Y97.6Very high96.9Very high82 Ų8261.5 Ų61.532%0.32232%0.321SS..EExtended strand (participates in β ladder)trans-127.6120.9173-161-66.4000108.7P13 L17 I31 T71 A72P13-Y29 HydrophobicContact CG-CE1 4.12Å; L17-Y29 HydrophobicContact CD1-CD1 3.43Å; L17-Y29 VanDerWaalsContact CD1-CD1 3.43Å; L17-Y29 HydrophobicContact CD1-CD2 4.03Å; L17-Y29 HydrophobicContact CD1-CE1 3.97Å; L17-Y29 HydrophobicContact CD1-CE2 4.44Å; L17-Y29 HydrophobicContact CD1-CG 3.5Å; L17-Y29 VanDerWaalsContact CD1-CG 3.5Å; L17-Y29 HydrophobicContact CD2-CD2 4.04Å; L17-Y29 HydrophobicContact CD2-CG 4.19Å; L17-Y29 HydrophobicContact CG-CD1 4.02Å; L17-Y29 HydrophobicContact CG-CD2 3.77Å; L17-Y29 HydrophobicContact CG-CE1 4.26Å; L17-Y29 HydrophobicContact CG-CE2 3.96Å; L17-Y29 HydrophobicContact CG-CG 3.8Å; Y29-I31 HydrophobicContact CD1-CG1 4.05Å; Y29-T71 WeakPolarHBondContact O-CA 2.88Å; Y29-A72 PolarHBondContact N-O 2.85Å; Y29-A72 PolarHBondContact O-N 2.83Å
30K97.9Very high96.9Very high143 Ų14363.4 Ų63.462%0.62233%0.333SS*.EExtended strand (participates in β ladder)trans-81.9126.5176.3-68-174177.8-176.30109.9M69K30-M69 HydrophobicContact CD-SD 4.36Å
31I98.6Very high97Very high0 Ų059.5 Ų59.50%031%0.312CS..EExtended strand (participates in β ladder)trans-113.6119.7176.9-57.5174.2000107.1E12 L17 Y29 M69 F70 A72 I89 I120E12-I31 CarbonylContact O-C 3.56Å; E12-I31 WeakPolarHBondContact O-CA 3.36Å; L17-I31 HydrophobicContact CD1-CD1 3.7Å; L17-I31 HydrophobicContact CD1-CG1 3.97Å; Y29-I31 HydrophobicContact CD1-CG1 4.05Å; I31-M69 WeakPolarHBondContact O-CA 3.18Å; I31-F70 HydrophobicContact CB-CD1 4.38Å; I31-F70 HydrophobicContact CB-CE1 3.86Å; I31-F70 HydrophobicContact CB-CE2 4.05Å; I31-F70 HydrophobicContact CB-CZ 3.68Å; I31-F70 HydrophobicContact CD1-CE2 3.73Å; I31-F70 HydrophobicContact CD1-CZ 3.76Å; I31-F70 HydrophobicContact CG1-CE2 4.33Å; I31-F70 HydrophobicContact CG1-CZ 4.28Å; I31-F70 HydrophobicContact CG2-CE1 3.77Å; I31-F70 HydrophobicContact CG2-CZ 3.72Å; I31-F70 PolarHBondContact N-O 3.3Å; I31-F70 PolarHBondContact O-N 3.31Å; I31-A72 HydrophobicContact CD1-CB 3.96Å; I31-I89 HydrophobicContact CD1-CD1 3.81Å; I31-I120 HydrophobicContact CD1-CD1 4.43Å; I31-I120 HydrophobicContact CG2-CD1 3.92Å
32A98.5Very high97.2Very high7 Ų758 Ų586%0.05830%0.3CS..EExtended strand (participates in β ladder)trans-82.2137.3171.300000109.5T11 E12 T67 F68 M69T11-A32 CarbonylContact C-O 3.58Å; T11-A32 WeakPolarHBondContact CA-O 3.5Å; E12-A32 HydrophobicContact CB-CB 4.14Å; E12-A32 PolarHBondContact N-O 2.76Å; E12-A32 PolarHBondContact O-N 3.18Å; A32-T67 HydrophobicContact CB-CG2 4.09Å; A32-F68 CarbonylContact C-O 3.58Å; A32-F68 WeakPolarHBondContact CA-O 3.29Å; A32-M69 HydrophobicContact CB-CE 4.41Å; A32-M69 HydrophobicContact CB-CG 4.17Å
33V98.6Very high97.3Very high0 Ų054.5 Ų54.50%028%0.277CS..EExtended strand (participates in β ladder)trans-125.7126.1170.557.30000108.9I9 K10 L62 T67 F68 F70I9-V33 HydrophobicContact CB-CG2 4.07Å; I9-V33 HydrophobicContact CD1-CG2 3.69Å; I9-V33 HydrophobicContact CG1-CG2 4.38Å; I9-V33 HydrophobicContact CG2-CG2 4.33Å; K10-V33 WeakPolarHBondContact O-CA 2.86Å; V33-L62 HydrophobicContact CB-CD1 4.4Å; V33-L62 HydrophobicContact CG1-CD1 3.96Å; V33-L62 HydrophobicContact CG1-CD2 4.47Å; V33-L62 HydrophobicContact CG2-CD1 3.7Å; V33-T67 CarbonylContact O-C 3.58Å; V33-T67 WeakPolarHBondContact O-CA 3.39Å; V33-F68 HydrophobicContact CG1-CB 4.27Å; V33-F68 WeakPolarHBondContact CG1-O 3.06Å; V33-F68 PolarHBondContact N-O 2.63Å; V33-F68 PolarHBondContact O-N 2.94Å; V33-F70 HydrophobicContact CG1-CD1 4.26Å; V33-F70 HydrophobicContact CG1-CE1 4.44Å
34T98.6Very high97.5Very high26 Ų2655.3 Ų55.316%0.1628%0.284CS..EExtended strand (participates in β ladder)trans-119.3125.4-178.3-51.80000109.7I9 K10 T36 E66 T67I9-T34 CarbonylContact C-O 3.55Å; I9-T34 WeakPolarHBondContact CA-O 3.4Å; I9-T34 WeakPolarHBondContact CB-O 3.36Å; K10-T34 PolarHBondContact N-O 2.88Å; K10-T34 PolarHBondContact O-N 2.81Å; T34-T36 PolarHBondContact O-N 2.88Å; T34-E66 VanDerWaalsContact CA-O 3.3Å; T34-E66 WeakPolarHBondContact CA-O 3.28Å; T34-T67 WeakPolarHBondContact CB-OG1 3.31Å; T34-T67 VanDerWaalsContact CG2-OG1 3.23Å; T34-T67 WeakPolarHBondContact CG2-OG1 3.36Å; T34-T67 WeakPolarHBondContact OG1-CG2 3.31Å; T34-T67 PolarHBondContact OG1-OG1 2.98Å
35N98.5Very high97.6Very high0 Ų047.2 Ų47.20%025%0.25CC..EExtended strand (participates in β ladder)trans-76.1114.6168.2175.210.3000109.3G37 K39 L41 L62 D63 N65 E66N35-G37 VanDerWaalsContact C-N 3.28Å; N35-G37 WeakPolarHBondContact OD1-CA 3.34Å; N35-G37 PolarHBondContact OD1-N 2.99Å; N35-K39 PolarHBondContact ND2-O 2.92Å; N35-L41 HydrophobicContact CB-CD1 3.98Å; N35-L41 HydrophobicContact CB-CG 4.47Å; N35-L41 VanDerWaalsContact CG-CD1 3.49Å; N35-L41 VanDerWaalsContact OD1-CD1 3.26Å; N35-L41 WeakPolarHBondContact OD1-CD1 3.47Å; N35-L62 HydrophobicContact CB-CB 3.85Å; N35-L62 HydrophobicContact CB-CD1 4.4Å; N35-L62 PolarHBondContact ND2-O 2.78Å; N35-D63 WeakPolarHBondContact CB-O 3.42Å; N35-D63 PolarHBondContact ND2-O 3.12Å; N35-N65 WeakPolarHBondContact O-CA 3.26Å; N35-N65 PolarHBondContact O-N 3.22Å; N35-E66 PolarHBondContact N-O 2.8Å
36T98.1Very high97.6Very high79 Ų7946 Ų4649%0.48524%0.242SC..  trans-91.18.5179.367.80000113D8 K10 T34D8-T36 PolarHBondContact O-N 3.01Å; D8-T36 PolarHBondContact O-OG1 3.07Å; K10-T36 HydrophobicContact CB-CG2 4.18Å; T34-T36 PolarHBondContact O-N 2.88Å
37G97.6Very high97.7Very high10 Ų1041 Ų4110%0.10322%0.222CC..SBendtrans-100.8171.8-177.900000114.1A7 N35 A64 N65A7-G37 VanDerWaalsContact CB-CA 3.41Å; N35-G37 VanDerWaalsContact C-N 3.28Å; N35-G37 WeakPolarHBondContact OD1-CA 3.34Å; N35-G37 PolarHBondContact OD1-N 2.99Å; G37-A64 WeakPolarHBondContact O-CA 3.33Å; G37-A64 WeakPolarHBondContact O-CB 3.47Å; G37-N65 PolarHBondContact O-N 3.47Å
38A95.8Very high97.7Very high92 Ų9243.6 Ų43.676%0.7624%0.241SC*.SBendtrans-89.4-4.1176.100000114
39K95.8Very high97.7Very high82 Ų8239.8 Ų39.836%0.35722%0.221SC..SBendtrans-117.7148.2-179.2-71.6-164170.3-163.30110.9Q4 N35 L95Q4-K39 VanDerWaalsContact OE1-CE 3.29Å; N35-K39 PolarHBondContact ND2-O 2.92Å; K39-L95 HydrophobicContact CB-CD2 3.76Å; K39-L95 HydrophobicContact CD-CD2 4.1Å
40P96.6Very high97.6Very high44 Ų4441.5 Ų41.529%0.28624%0.239SC..  trans-64.7144.5176.427.1-34.1000111.4V61 L62 A96P40-V61 HydrophobicContact CB-CG1 4.36Å; P40-L62 CarbonylContact C-O 3.54Å; P40-L62 VanDerWaalsContact CA-O 3.24Å; P40-L62 WeakPolarHBondContact CA-O 3.39Å; P40-A96 HydrophobicContact CB-CB 3.95Å; P40-A96 HydrophobicContact CG-CB 4.09Å; P40-A96 PolarHBondContact O-N 2.92Å
41L97.9Very high97.4Very high1 Ų139.4 Ų39.41%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-117.2135.2178.7-59.5179.4000109.9P6 I9 N35 V61 L62 W93 I94 L95P6-L41 HydrophobicContact CB-CD2 3.91Å; I9-L41 HydrophobicContact CG2-CD1 3.75Å; N35-L41 HydrophobicContact CB-CD1 3.98Å; N35-L41 HydrophobicContact CB-CG 4.47Å; N35-L41 VanDerWaalsContact CG-CD1 3.49Å; N35-L41 VanDerWaalsContact OD1-CD1 3.26Å; N35-L41 WeakPolarHBondContact OD1-CD1 3.47Å; L41-V61 CarbonylContact O-C 3.52Å; L41-V61 VanDerWaalsContact O-CA 3.28Å; L41-V61 WeakPolarHBondContact O-CA 3.34Å; L41-L62 HydrophobicContact CB-CB 4.48Å; L41-L62 PolarHBondContact N-O 3.47Å; L41-L62 PolarHBondContact O-N 3.07Å; L41-W93 HydrophobicContact CD1-CG 4.44Å; L41-I94 CarbonylContact C-O 3.54Å; L41-I94 VanDerWaalsContact CA-O 3.25Å; L41-I94 WeakPolarHBondContact CA-O 3.11Å; L41-I94 WeakPolarHBondContact CD2-O 3.36Å; L41-L95 HydrophobicContact CD2-CD2 3.98Å
42A97.7Very high97.3Very high0 Ų040.7 Ų40.70%025%0.247CC..EExtended strand (participates in β ladder)trans-93.6130.616500000108.2W93 I94 A96 F104 W108 M109A42-W93 WeakPolarHBondContact O-CA 3.23Å; A42-W93 WeakPolarHBondContact O-CB 3.45Å; A42-I94 HydrophobicContact CB-CD1 4.36Å; A42-I94 HydrophobicContact CB-CG1 3.91Å; A42-I94 PolarHBondContact N-O 2.82Å; A42-I94 PolarHBondContact O-N 3.41Å; A42-A96 HydrophobicContact CB-CB 4.38Å; A42-F104 HydrophobicContact CB-CD2 4.05Å; A42-F104 HydrophobicContact CB-CE2 4.15Å; A42-W108 HydrophobicContact CB-CE3 3.71Å; A42-W108 HydrophobicContact CB-CZ3 4.03Å; A42-M109 HydrophobicContact CB-CE 4.49Å; A42-M109 WeakPolarHBondContact O-CE 3.39Å
43W98.1Very high97.3Very high2 Ų240.5 Ų40.51%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-128.9152.3-175.768.2-88.4000111.8V45 P57 A59 G60 L62 F68 F70 E92 W93 F104W43-V45 HydrophobicContact CZ3-CB 4.2Å; W43-V45 HydrophobicContact CZ3-CG1 3.92Å; W43-P57 HydrophobicContact CH2-CG 4.33Å; W43-P57 HydrophobicContact CZ2-CG 4.46Å; W43-A59 CarbonylContact O-C 3.51Å; W43-A59 VanDerWaalsContact O-CA 3.22Å; W43-A59 WeakPolarHBondContact O-CA 3.44Å; W43-A59 VanDerWaalsContact O-CB 3.32Å; W43-A59 WeakPolarHBondContact O-CB 3.24Å; W43-G60 VanDerWaalsContact CD1-C 3.44Å; W43-G60 VanDerWaalsContact CD1-O 3.25Å; W43-G60 PolarHBondContact N-O 3.32Å; W43-G60 PolarHBondContact O-N 2.99Å; W43-L62 HydrophobicContact CG-CD1 4.32Å; W43-F68 HydrophobicContact CH2-CD1 4.3Å; W43-F68 HydrophobicContact CH2-CE1 4.21Å; W43-F68 AromaticContact CZ2-CD1 3.61Å; W43-F68 HydrophobicContact CZ2-CD1 3.61Å; W43-F68 AromaticContact CZ2-CE1 3.74Å; W43-F68 HydrophobicContact CZ2-CE1 3.74Å; W43-F70 HydrophobicContact CH2-CB 3.9Å; W43-F70 AromaticContact CH2-CD1 3.97Å; W43-F70 HydrophobicContact CH2-CD1 3.97Å; W43-F70 HydrophobicContact CH2-CG 4.09Å; W43-F70 HydrophobicContact CZ3-CD1 4.02Å; W43-F70 HydrophobicContact CZ3-CE1 4.47Å; W43-F70 HydrophobicContact CZ3-CG 4.3Å; W43-E92 CarbonylContact C-O 3.17Å; W43-E92 VanDerWaalsContact CA-O 3.25Å; W43-E92 WeakPolarHBondContact CA-O 3.45Å; W43-W93 HydrophobicContact CB-CB 4.03Å; W43-F104 WeakPolarHBondContact O-CE2 3.23Å
44C97.9Very high97.2Very high25 Ų2542.8 Ų42.817%0.16926%0.262CS..EExtended strand (participates in β ladder)trans-141.2157167.663.90000110.5S58 A59 I91 E92 F104 M109C44-S58 CarbonylContact C-O 3.58Å; C44-S58 WeakPolarHBondContact CA-O 3.22Å; C44-A59 HydrophobicContact CB-CB 3.93Å; C44-I91 WeakPolarHBondContact O-CA 3.35Å; C44-E92 PolarHBondContact N-O 2.8Å; C44-E92 PolarHBondContact O-N 2.93Å; C44-F104 HydrophobicContact CB-CZ 4.18Å; C44-M109 HydrophobicContact CB-CE 4.4Å
45V98.3Very high97.2Very high13 Ų1343 Ų438%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-126.5142.6-179.663.70000111W43 F55 S58 F70 I89 T90 I91W43-V45 HydrophobicContact CZ3-CB 4.2Å; W43-V45 HydrophobicContact CZ3-CG1 3.92Å; V45-F55 HydrophobicContact CB-CG 4.43Å; V45-F55 HydrophobicContact CG1-CB 3.57Å; V45-F55 HydrophobicContact CG1-CD1 3.91Å; V45-F55 HydrophobicContact CG1-CD2 3.8Å; V45-F55 HydrophobicContact CG1-CE2 4.48Å; V45-F55 HydrophobicContact CG1-CG 3.47Å; V45-F55 VanDerWaalsContact CG1-CG 3.47Å; V45-F55 HydrophobicContact CG2-CD1 3.91Å; V45-F55 HydrophobicContact CG2-CD2 4.2Å; V45-F55 HydrophobicContact CG2-CE1 3.75Å; V45-F55 HydrophobicContact CG2-CE2 4.08Å; V45-F55 HydrophobicContact CG2-CG 4.12Å; V45-F55 HydrophobicContact CG2-CZ 3.83Å; V45-S58 WeakPolarHBondContact CG1-O 3.11Å; V45-S58 PolarHBondContact N-O 3Å; V45-F70 HydrophobicContact CB-CE2 4.37Å; V45-F70 HydrophobicContact CB-CZ 4.39Å; V45-F70 HydrophobicContact CG1-CD2 4.23Å; V45-F70 HydrophobicContact CG1-CE2 4.1Å; V45-F70 HydrophobicContact CG2-CE2 3.9Å; V45-F70 HydrophobicContact CG2-CZ 3.95Å; V45-I89 HydrophobicContact CG2-CG2 3.39Å; V45-T90 WeakPolarHBondContact CA-O 3.42Å; V45-I91 HydrophobicContact CB-CG1 4.42Å; V45-I91 HydrophobicContact CG2-CG1 4.06Å
46K97.5Very high97.2Very high95 Ų9548.6 Ų48.641%0.41329%0.29SS..EExtended strand (participates in β ladder)trans-142.1163.6176.564.4-171.7177.6-161.30111.2I89 T90 E92K46-I89 CarbonylContact O-C 3.57Å; K46-I89 WeakPolarHBondContact O-CA 3.38Å; K46-T90 PolarHBondContact N-O 2.84Å; K46-T90 PolarHBondContact O-N 3.07Å; K46-E92 WeakPolarHBondContact CE-OE2 3.03Å; K46-E92 IonicContact NZ-OE1 2.85Å; K46-E92 PolarHBondContact NZ-OE1 2.89Å; K46-E92 IonicContact NZ-OE2 3.66Å; K46-E92 PolarHBondContact NZ-OE2 2.86Å
47S98.1Very high97.2Very high12 Ų1246.9 Ų46.98%0.08428%0.28CS..EExtended strand (participates in β ladder)trans-121.5154.4175.9-177.90000110.4N49 Q88S47-N49 PolarHBondContact O-N 3.45Å; S47-N49 PolarHBondContact OG-N 3.09Å; S47-N49 PolarHBondContact OG-O 2.93Å; S47-Q88 CarbonylContact C-O 3.39Å; S47-Q88 VanDerWaalsContact CA-O 3.31Å; S47-Q88 WeakPolarHBondContact CA-O 3.25Å
48T97.6Very high97.2Very high90 Ų9049.6 Ų49.655%0.55230%0.298SS*.SBendtrans-61-31163.746.80000112.2D87 Q88T48-D87 WeakPolarHBondContact OG1-CA 3.18Å; T48-D87 PolarHBondContact OG1-OD1 2.96Å; T48-Q88 HydrophobicContact CG2-CB 3.83Å; T48-Q88 PolarHBondContact N-O 2.85Å; T48-Q88 PolarHBondContact OG1-N 3.44Å
49N96.4Very high97.3Very high33 Ų3346.3 Ų46.318%0.17627%0.271CS..  trans-119.885.5-178.6-165.6-19000111.2S47 S51 R52 I53 D87S47-N49 PolarHBondContact O-N 3.45Å; S47-N49 PolarHBondContact OG-N 3.09Å; S47-N49 PolarHBondContact OG-O 2.93Å; N49-S51 VanDerWaalsContact C-N 3.3Å; N49-S51 PolarHBondContact O-N 2.77Å; N49-S51 PolarHBondContact OD1-OG 2.86Å; N49-R52 HydrophobicContact CB-CB 4.19Å; N49-R52 VanDerWaalsContact CG-CB 3.48Å; N49-R52 PolarHBondContact ND2-NE 2.86Å; N49-R52 PolarHBondContact O-N 3.45Å; N49-R52 WeakPolarHBondContact OD1-CB 3.44Å; N49-R52 PolarHBondContact OD1-N 2.85Å; N49-I53 PolarHBondContact O-N 2.8Å; N49-D87 VanDerWaalsContact CB-CG 3.46Å; N49-D87 VanDerWaalsContact CB-OD1 3.23Å; N49-D87 WeakPolarHBondContact CB-OD1 3.36Å; N49-D87 WeakPolarHBondContact CB-OD2 3.19Å; N49-D87 PolarHBondContact ND2-OD2 2.9Å
50V94.9Very high97.4Very high117 Ų11743.1 Ų43.171%0.70926%0.261SS*.THydrogen-bonded Turntrans-71.4-20.5-175.6-62.20000114
51S94.8Very high97.4Very high99 Ų9941.6 Ų41.669%0.69225%0.251SS*.THydrogen-bonded Turntrans-80.8-20.8174.858.40000112.3N49N49-S51 VanDerWaalsContact C-N 3.3Å; N49-S51 PolarHBondContact O-N 2.77Å; N49-S51 PolarHBondContact OD1-OG 2.86Å
52R96.1Very high97.4Very high27 Ų2741.5 Ų41.510%0.10225%0.251CS..THydrogen-bonded Turntrans-101.1-39.8-179.2-171.5-178-52.7-127.11.6113.3N49 T74 E75 F77 N83 Y124N49-R52 HydrophobicContact CB-CB 4.19Å; N49-R52 VanDerWaalsContact CG-CB 3.48Å; N49-R52 PolarHBondContact ND2-NE 2.86Å; N49-R52 PolarHBondContact O-N 3.45Å; N49-R52 WeakPolarHBondContact OD1-CB 3.44Å; N49-R52 PolarHBondContact OD1-N 2.85Å; R52-T74 CarbonylContact O-C 3.59Å; R52-T74 VanDerWaalsContact O-CA 3.26Å; R52-T74 WeakPolarHBondContact O-CA 3.47Å; R52-E75 PolarHBondContact O-N 3.02Å; R52-F77 HydrophobicContact CG-CD1 4.26Å; R52-N83 PolarHBondContact NH1-O 2.86Å; R52-N83 PolarHBondContact NH2-OD1 2.89Å; R52-Y124 WeakPolarHBondContact CD-OH 3.48Å
53I97.9Very high97.3Very high3 Ų344.2 Ų44.22%0.01527%0.265CS..EExtended strand (participates in β ladder)trans-116.7116.9-176.2-49.6-178.9000109.1N49 F55 A72 V73 D87 V122 Y124N49-I53 PolarHBondContact O-N 2.8Å; I53-F55 HydrophobicContact CG2-CE1 3.81Å; I53-F55 HydrophobicContact CG2-CE2 4.37Å; I53-F55 HydrophobicContact CG2-CZ 3.7Å; I53-A72 HydrophobicContact CG2-CB 4.36Å; I53-V73 WeakPolarHBondContact CA-O 3.1Å; I53-D87 HydrophobicContact CD1-CB 3.99Å; I53-V122 HydrophobicContact CD1-CB 4.3Å; I53-V122 HydrophobicContact CD1-CG1 4.09Å; I53-V122 HydrophobicContact CD1-CG2 4Å; I53-Y124 WeakPolarHBondContact CD1-OH 3.35Å
54S98Very high97.2Very high49 Ų4946.1 Ų46.134%0.34328%0.281SS..EExtended strand (participates in β ladder)trans-110.7166.5170.563.40000111A72 V73S54-A72 WeakPolarHBondContact O-CA 3.31Å; S54-V73 PolarHBondContact N-O 2.62Å; S54-V73 PolarHBondContact O-N 3.11Å
55F98.5Very high97.2Very high31 Ų3150.6 Ų50.614%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-134.8138.6-175.4-53-79000111.7V45 I53 F70 T71 A72 I89V45-F55 HydrophobicContact CB-CG 4.43Å; V45-F55 HydrophobicContact CG1-CB 3.57Å; V45-F55 HydrophobicContact CG1-CD1 3.91Å; V45-F55 HydrophobicContact CG1-CD2 3.8Å; V45-F55 HydrophobicContact CG1-CE2 4.48Å; V45-F55 HydrophobicContact CG1-CG 3.47Å; V45-F55 VanDerWaalsContact CG1-CG 3.47Å; V45-F55 HydrophobicContact CG2-CD1 3.91Å; V45-F55 HydrophobicContact CG2-CD2 4.2Å; V45-F55 HydrophobicContact CG2-CE1 3.75Å; V45-F55 HydrophobicContact CG2-CE2 4.08Å; V45-F55 HydrophobicContact CG2-CG 4.12Å; V45-F55 HydrophobicContact CG2-CZ 3.83Å; I53-F55 HydrophobicContact CG2-CE1 3.81Å; I53-F55 HydrophobicContact CG2-CE2 4.37Å; I53-F55 HydrophobicContact CG2-CZ 3.7Å; F55-F70 HydrophobicContact CB-CD2 4.43Å; F55-F70 AromaticContact CD1-CD2 3.96Å; F55-F70 HydrophobicContact CD1-CD2 3.96Å; F55-F70 AromaticContact CD1-CE2 3.65Å; F55-F70 HydrophobicContact CD1-CE2 3.65Å; F55-F70 HydrophobicContact CE1-CE2 4.13Å; F55-T71 CarbonylContact C-O 3.59Å; F55-T71 VanDerWaalsContact CA-O 3.27Å; F55-T71 WeakPolarHBondContact CA-O 3.49Å; F55-A72 HydrophobicContact CD1-CB 3.95Å; F55-A72 HydrophobicContact CE1-CB 3.91Å; F55-I89 HydrophobicContact CE1-CB 4.48Å; F55-I89 HydrophobicContact CE1-CD1 3.94Å; F55-I89 HydrophobicContact CE1-CG1 3.91Å; F55-I89 HydrophobicContact CE1-CG2 3.8Å; F55-I89 HydrophobicContact CZ-CB 4.38Å; F55-I89 HydrophobicContact CZ-CD1 4.4Å; F55-I89 HydrophobicContact CZ-CG1 3.88Å; F55-I89 HydrophobicContact CZ-CG2 3.88Å
56D97.9Very high97.2Very high116 Ų11652.3 Ų52.362%0.6231%0.31SS*.EExtended strand (participates in β ladder)trans-136.1115.6175.5-174.126.9000112.5T71D56-T71 PolarHBondContact N-O 2.86Å; D56-T71 PolarHBondContact O-N 2.82Å
57P97.6Very high97.3Very high43 Ų4351.4 Ų51.428%0.27931%0.313SS..SBendcis-69.1160.9-16.831.9-36000111.4W43 F68 F70W43-P57 HydrophobicContact CH2-CG 4.33Å; W43-P57 HydrophobicContact CZ2-CG 4.46Å; P57-F68 HydrophobicContact CG-CE1 3.45Å; P57-F68 VanDerWaalsContact CG-CE1 3.45Å; P57-F68 HydrophobicContact CG-CZ 3.47Å; P57-F68 VanDerWaalsContact CG-CZ 3.47Å; P57-F70 WeakPolarHBondContact O-CB 3.48Å
58S97.5Very high97.3Very high67 Ų6754.2 Ų54.247%0.46932%0.324SS..SBendtrans-91.9-5.7178.160.60000114.6C44 V45C44-S58 CarbonylContact C-O 3.58Å; C44-S58 WeakPolarHBondContact CA-O 3.22Å; V45-S58 WeakPolarHBondContact CG1-O 3.11Å; V45-S58 PolarHBondContact N-O 3Å
59A97.9Very high97.3Very high24 Ų2455.4 Ų55.420%0.19833%0.325CS..EExtended strand (participates in β ladder)trans-160.1162.4177.600000111W43 C44 F104W43-A59 CarbonylContact O-C 3.51Å; W43-A59 VanDerWaalsContact O-CA 3.22Å; W43-A59 WeakPolarHBondContact O-CA 3.44Å; W43-A59 VanDerWaalsContact O-CB 3.32Å; W43-A59 WeakPolarHBondContact O-CB 3.24Å; C44-A59 HydrophobicContact CB-CB 3.93Å; A59-F104 HydrophobicContact CB-CD1 3.54Å; A59-F104 HydrophobicContact CB-CD2 4.2Å; A59-F104 HydrophobicContact CB-CE1 3.6Å; A59-F104 HydrophobicContact CB-CE2 4.26Å; A59-F104 HydrophobicContact CB-CG 3.85Å; A59-F104 HydrophobicContact CB-CZ 3.98Å
60G97.4Very high97.4Very high14 Ų1453.9 Ų53.914%0.14432%0.316CS..EExtended strand (participates in β ladder)trans-176.3-170.9178.200000113.5W43W43-G60 VanDerWaalsContact CD1-C 3.44Å; W43-G60 VanDerWaalsContact CD1-O 3.25Å; W43-G60 PolarHBondContact N-O 3.32Å; W43-G60 PolarHBondContact O-N 2.99Å
61V97.8Very high97.5Very high12 Ų1249.7 Ų49.77%0.07329%0.291CS..EExtended strand (participates in β ladder)trans-122.6130.7171.8178.70000108.2P40 L41 A96 R102 W108P40-V61 HydrophobicContact CB-CG1 4.36Å; L41-V61 CarbonylContact O-C 3.52Å; L41-V61 VanDerWaalsContact O-CA 3.28Å; L41-V61 WeakPolarHBondContact O-CA 3.34Å; V61-A96 HydrophobicContact CG1-CB 4.34Å; V61-R102 WeakPolarHBondContact CG2-O 3.23Å; V61-W108 HydrophobicContact CG2-CZ3 4.04Å
62L97.1Very high97.7Very high0 Ų045 Ų450%026%0.258CS..EExtended strand (participates in β ladder)trans-106.4116.4174.4-76164.8000109.1V33 N35 P40 L41 W43 E66 F68V33-L62 HydrophobicContact CB-CD1 4.4Å; V33-L62 HydrophobicContact CG1-CD1 3.96Å; V33-L62 HydrophobicContact CG1-CD2 4.47Å; V33-L62 HydrophobicContact CG2-CD1 3.7Å; N35-L62 HydrophobicContact CB-CB 3.85Å; N35-L62 HydrophobicContact CB-CD1 4.4Å; N35-L62 PolarHBondContact ND2-O 2.78Å; P40-L62 CarbonylContact C-O 3.54Å; P40-L62 VanDerWaalsContact CA-O 3.24Å; P40-L62 WeakPolarHBondContact CA-O 3.39Å; L41-L62 HydrophobicContact CB-CB 4.48Å; L41-L62 PolarHBondContact N-O 3.47Å; L41-L62 PolarHBondContact O-N 3.07Å; W43-L62 HydrophobicContact CG-CD1 4.32Å; L62-E66 WeakPolarHBondContact CA-OE2 3.33Å; L62-E66 HydrophobicContact CD2-CB 4.29Å; L62-E66 HydrophobicContact CD2-CG 4.15Å; L62-F68 HydrophobicContact CD2-CB 3.48Å; L62-F68 VanDerWaalsContact CD2-CB 3.48Å
63D96.5Very high97.8Very high57 Ų5744.7 Ų44.731%0.30526%0.259SS..  trans-67.1169.6170.9-72.4-21.1000110.9N35 N65 E66 R102N35-D63 WeakPolarHBondContact CB-O 3.42Å; N35-D63 PolarHBondContact ND2-O 3.12Å; D63-N65 PolarHBondContact O-N 2.91Å; D63-E66 HydrophobicContact CB-CB 4.22Å; D63-E66 PolarHBondContact N-OE2 2.85Å; D63-E66 VanDerWaalsContact O-CB 3.31Å; D63-E66 WeakPolarHBondContact O-CB 3.35Å; D63-E66 PolarHBondContact O-N 3.26Å; D63-E66 VanDerWaalsContact O-N 3.11Å; D63-R102 IonicContact OD2-CZ 3.12Å; D63-R102 IonicContact OD2-NE 2.76Å; D63-R102 IonicContact OD2-NH1 2.71Å; D63-R102 PolarHBondContact OD2-NH1 3.32Å
64A96.5Very high97.7Very high42 Ų4244.6 Ų44.635%0.34726%0.259SS..THydrogen-bonded Turntrans-56.3129.517800000111G37 E66G37-A64 WeakPolarHBondContact O-CA 3.33Å; G37-A64 WeakPolarHBondContact O-CB 3.47Å; A64-E66 PolarHBondContact O-N 3.42Å; A64-E66 VanDerWaalsContact O-N 3.1Å
65N97.6Very high97.7Very high119 Ų11945 Ų4564%0.63626%0.255SS*.THydrogen-bonded Turntrans61.29.6-178.2-51-66.9000115.4N35 G37 D63N35-N65 WeakPolarHBondContact O-CA 3.26Å; N35-N65 PolarHBondContact O-N 3.22Å; G37-N65 PolarHBondContact O-N 3.47Å; D63-N65 PolarHBondContact O-N 2.91Å
66E98Very high97.6Very high48 Ų4847.3 Ų47.322%0.22427%0.272CS..  trans-74.7141.6178.6-175.1173.1-147.400111.1T34 N35 L62 D63 A64 R102T34-E66 VanDerWaalsContact CA-O 3.3Å; T34-E66 WeakPolarHBondContact CA-O 3.28Å; N35-E66 PolarHBondContact N-O 2.8Å; L62-E66 WeakPolarHBondContact CA-OE2 3.33Å; L62-E66 HydrophobicContact CD2-CB 4.29Å; L62-E66 HydrophobicContact CD2-CG 4.15Å; D63-E66 HydrophobicContact CB-CB 4.22Å; D63-E66 PolarHBondContact N-OE2 2.85Å; D63-E66 VanDerWaalsContact O-CB 3.31Å; D63-E66 WeakPolarHBondContact O-CB 3.35Å; D63-E66 PolarHBondContact O-N 3.26Å; D63-E66 VanDerWaalsContact O-N 3.11Å; A64-E66 PolarHBondContact O-N 3.42Å; A64-E66 VanDerWaalsContact O-N 3.1Å; E66-R102 IonicContact OE1-CZ 3.15Å; E66-R102 IonicContact OE1-NH1 3.16Å; E66-R102 IonicContact OE1-NH2 3.22Å; E66-R102 PolarHBondContact OE1-NH2 2.88Å; E66-R102 IonicContact OE2-CZ 2.63Å; E66-R102 IonicContact OE2-NH1 3.63Å; E66-R102 IonicContact OE2-NH2 3.29Å; E66-R102 PolarHBondContact OE2-NH2 3.19Å
67T98.3Very high97.5Very high76 Ų7643 Ų4347%0.46625%0.248SC..EExtended strand (participates in β ladder)trans-111128.7165.8-59.90000109.5A32 V33 T34A32-T67 HydrophobicContact CB-CG2 4.09Å; V33-T67 CarbonylContact O-C 3.58Å; V33-T67 WeakPolarHBondContact O-CA 3.39Å; T34-T67 WeakPolarHBondContact CB-OG1 3.31Å; T34-T67 VanDerWaalsContact CG2-OG1 3.23Å; T34-T67 WeakPolarHBondContact CG2-OG1 3.36Å; T34-T67 WeakPolarHBondContact OG1-CG2 3.31Å; T34-T67 PolarHBondContact OG1-OG1 2.98Å
68F98.1Very high97.4Very high72 Ų7248 Ų4832%0.31627%0.267SS..EExtended strand (participates in β ladder)trans-121.7147.4175-176.1-95.8000110.1A32 V33 W43 P57 L62 F70A32-F68 CarbonylContact C-O 3.58Å; A32-F68 WeakPolarHBondContact CA-O 3.29Å; V33-F68 HydrophobicContact CG1-CB 4.27Å; V33-F68 WeakPolarHBondContact CG1-O 3.06Å; V33-F68 PolarHBondContact N-O 2.63Å; V33-F68 PolarHBondContact O-N 2.94Å; W43-F68 HydrophobicContact CH2-CD1 4.3Å; W43-F68 HydrophobicContact CH2-CE1 4.21Å; W43-F68 AromaticContact CZ2-CD1 3.61Å; W43-F68 HydrophobicContact CZ2-CD1 3.61Å; W43-F68 AromaticContact CZ2-CE1 3.74Å; W43-F68 HydrophobicContact CZ2-CE1 3.74Å; P57-F68 HydrophobicContact CG-CE1 3.45Å; P57-F68 VanDerWaalsContact CG-CE1 3.45Å; P57-F68 HydrophobicContact CG-CZ 3.47Å; P57-F68 VanDerWaalsContact CG-CZ 3.47Å; L62-F68 HydrophobicContact CD2-CB 3.48Å; L62-F68 VanDerWaalsContact CD2-CB 3.48Å; F68-F70 HydrophobicContact CE1-CB 4.11Å
69M97.9Very high97.3Very high115 Ų11548 Ų4857%0.56727%0.266SS*.EExtended strand (participates in β ladder)trans-111.4123.4173.7-68.6-175-178.800110.1K30 I31 A32K30-M69 HydrophobicContact CD-SD 4.36Å; I31-M69 WeakPolarHBondContact O-CA 3.18Å; A32-M69 HydrophobicContact CB-CE 4.41Å; A32-M69 HydrophobicContact CB-CG 4.17Å
70F98.3Very high97.2Very high0 Ų049.5 Ų49.50%027%0.272CS..EExtended strand (participates in β ladder)trans-107.2157.2164.670.1-88.4000109.9I31 V33 W43 V45 F55 P57 F68 I91I31-F70 HydrophobicContact CB-CD1 4.38Å; I31-F70 HydrophobicContact CB-CE1 3.86Å; I31-F70 HydrophobicContact CB-CE2 4.05Å; I31-F70 HydrophobicContact CB-CZ 3.68Å; I31-F70 HydrophobicContact CD1-CE2 3.73Å; I31-F70 HydrophobicContact CD1-CZ 3.76Å; I31-F70 HydrophobicContact CG1-CE2 4.33Å; I31-F70 HydrophobicContact CG1-CZ 4.28Å; I31-F70 HydrophobicContact CG2-CE1 3.77Å; I31-F70 HydrophobicContact CG2-CZ 3.72Å; I31-F70 PolarHBondContact N-O 3.3Å; I31-F70 PolarHBondContact O-N 3.31Å; V33-F70 HydrophobicContact CG1-CD1 4.26Å; V33-F70 HydrophobicContact CG1-CE1 4.44Å; W43-F70 HydrophobicContact CH2-CB 3.9Å; W43-F70 AromaticContact CH2-CD1 3.97Å; W43-F70 HydrophobicContact CH2-CD1 3.97Å; W43-F70 HydrophobicContact CH2-CG 4.09Å; W43-F70 HydrophobicContact CZ3-CD1 4.02Å; W43-F70 HydrophobicContact CZ3-CE1 4.47Å; W43-F70 HydrophobicContact CZ3-CG 4.3Å; V45-F70 HydrophobicContact CB-CE2 4.37Å; V45-F70 HydrophobicContact CB-CZ 4.39Å; V45-F70 HydrophobicContact CG1-CD2 4.23Å; V45-F70 HydrophobicContact CG1-CE2 4.1Å; V45-F70 HydrophobicContact CG2-CE2 3.9Å; V45-F70 HydrophobicContact CG2-CZ 3.95Å; F55-F70 HydrophobicContact CB-CD2 4.43Å; F55-F70 AromaticContact CD1-CD2 3.96Å; F55-F70 HydrophobicContact CD1-CD2 3.96Å; F55-F70 AromaticContact CD1-CE2 3.65Å; F55-F70 HydrophobicContact CD1-CE2 3.65Å; F55-F70 HydrophobicContact CE1-CE2 4.13Å; P57-F70 WeakPolarHBondContact O-CB 3.48Å; F68-F70 HydrophobicContact CE1-CB 4.11Å; F70-I91 HydrophobicContact CE1-CD1 4.04Å; F70-I91 HydrophobicContact CE1-CG1 4.45Å; F70-I91 HydrophobicContact CZ-CD1 4.04Å; F70-I91 HydrophobicContact CZ-CG1 4.24Å
71T98.3Very high97Very high30 Ų3054.4 Ų54.418%0.18430%0.302CS..EExtended strand (participates in β ladder)trans-104.2123.3-179.8-560000109.5N28 Y29 F55 D56 V73N28-T71 HydrophobicContact CB-CG2 3.78Å; Y29-T71 WeakPolarHBondContact O-CA 2.88Å; F55-T71 CarbonylContact C-O 3.59Å; F55-T71 VanDerWaalsContact CA-O 3.27Å; F55-T71 WeakPolarHBondContact CA-O 3.49Å; D56-T71 PolarHBondContact N-O 2.86Å; D56-T71 PolarHBondContact O-N 2.82Å; T71-V73 HydrophobicContact CG2-CG2 4.01Å
72A98.3Very high96.9Very high0 Ų059.5 Ų59.50%033%0.325CS..EExtended strand (participates in β ladder)trans-86.5123.9163.900000108.8F19 N28 Y29 I31 I53 S54 F55 I89F19-A72 HydrophobicContact CZ-CB 4.47Å; N28-A72 CarbonylContact C-O 3.54Å; N28-A72 WeakPolarHBondContact CA-O 3.36Å; Y29-A72 PolarHBondContact N-O 2.85Å; Y29-A72 PolarHBondContact O-N 2.83Å; I31-A72 HydrophobicContact CD1-CB 3.96Å; I53-A72 HydrophobicContact CG2-CB 4.36Å; S54-A72 WeakPolarHBondContact O-CA 3.31Å; F55-A72 HydrophobicContact CD1-CB 3.95Å; F55-A72 HydrophobicContact CE1-CB 3.91Å; A72-I89 HydrophobicContact CB-CD1 4.2Å
73V97.7Very high96.8Very high20 Ų2061.6 Ų61.612%0.12134%0.336CS..EExtended strand (participates in β ladder)trans-111.1117.2-179.7-171.90000108.4K26 K27 N28 I53 S54 T71K26-V73 HydrophobicContact CB-CG1 4.19Å; K26-V73 HydrophobicContact CD-CG1 4.08Å; K27-V73 CarbonylContact O-C 3.55Å; K27-V73 VanDerWaalsContact O-CA 3.31Å; K27-V73 WeakPolarHBondContact O-CA 3.44Å; N28-V73 WeakPolarHBondContact OD1-CG2 3.37Å; I53-V73 WeakPolarHBondContact CA-O 3.1Å; S54-V73 PolarHBondContact N-O 2.62Å; S54-V73 PolarHBondContact O-N 3.11Å; T71-V73 HydrophobicContact CG2-CG2 4.01Å
74T97.4Very high96.7Very high1 Ų161 Ų611%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-88.3131.9169.2-153.50000109.6F19 K26 K27 R52F19-T74 HydrophobicContact CB-CG2 4.49Å; F19-T74 HydrophobicContact CD1-CG2 3.83Å; F19-T74 HydrophobicContact CD2-CG2 4.33Å; F19-T74 HydrophobicContact CE1-CG2 4.04Å; F19-T74 HydrophobicContact CG-CG2 3.98Å; F19-T74 HydrophobicContact CZ-CG2 4.39Å; K26-T74 VanDerWaalsContact CA-O 3.23Å; K26-T74 WeakPolarHBondContact CA-O 2.95Å; K27-T74 HydrophobicContact CB-CG2 3.72Å; K27-T74 HydrophobicContact CG-CG2 4.05Å; K27-T74 PolarHBondContact N-O 3.29Å; K27-T74 VanDerWaalsContact N-O 3.09Å; K27-T74 PolarHBondContact O-N 2.94Å; R52-T74 CarbonylContact O-C 3.59Å; R52-T74 VanDerWaalsContact O-CA 3.26Å; R52-T74 WeakPolarHBondContact O-CA 3.47Å
75E97.2Very high96.7Very high57 Ų5764.5 Ų64.527%0.26634%0.34SS..PPolyproline II helixtrans-71.9164.8171.7-66.9-59.4146.700111.6K26 R52 F77K26-E75 WeakPolarHBondContact CE-OE1 3.48Å; K26-E75 WeakPolarHBondContact CE-OE2 3.31Å; K26-E75 IonicContact NZ-OE1 2.71Å; K26-E75 PolarHBondContact NZ-OE1 2.93Å; K26-E75 IonicContact NZ-OE2 3.69Å; K26-E75 PolarHBondContact NZ-OE2 2.83Å; R52-E75 PolarHBondContact O-N 3.02Å; E75-F77 WeakPolarHBondContact O-CD1 3.35Å
76V96.9Very high96.7Very high81 Ų8164.7 Ų64.749%0.49134%0.337SS..PPolyproline II helixtrans-67.1136.2172.7176.20000109.6F23F23-V76 WeakPolarHBondContact O-CG1 3.45Å
77F96Very high96.7Very high26 Ų2663.4 Ų63.411%0.11433%0.332CS..  trans-156160.8176.569.8-91.8000112.1F23 R52 E75 N83 L84 Y124F23-F77 HydrophobicContact CB-CD1 4.13Å; F23-F77 HydrophobicContact CB-CE1 3.97Å; F23-F77 HydrophobicContact CB-CE2 4.37Å; F23-F77 HydrophobicContact CB-CG 4.4Å; F23-F77 HydrophobicContact CB-CZ 4.1Å; F23-F77 WeakPolarHBondContact CB-O 3.39Å; F23-F77 HydrophobicContact CD1-CD1 4.39Å; F23-F77 AromaticContact CD1-CE1 3.45Å; F23-F77 HydrophobicContact CD1-CE1 3.45Å; F23-F77 VanDerWaalsContact CD1-CE1 3.45Å; F23-F77 HydrophobicContact CD1-CE2 4.36Å; F23-F77 AromaticContact CD1-CZ 3.43Å; F23-F77 HydrophobicContact CD1-CZ 3.43Å; F23-F77 VanDerWaalsContact CD1-CZ 3.43Å; F23-F77 HydrophobicContact CD2-CE2 4.05Å; F23-F77 AromaticContact CD2-CZ 3.88Å; F23-F77 HydrophobicContact CD2-CZ 3.88Å; F23-F77 HydrophobicContact CE1-CE1 4.06Å; F23-F77 AromaticContact CE1-CZ 3.73Å; F23-F77 HydrophobicContact CE1-CZ 3.73Å; F23-F77 HydrophobicContact CE2-CE2 4.43Å; F23-F77 HydrophobicContact CE2-CZ 4.13Å; F23-F77 HydrophobicContact CG-CD1 4.37Å; F23-F77 AromaticContact CG-CE1 3.73Å; F23-F77 HydrophobicContact CG-CE1 3.73Å; F23-F77 AromaticContact CG-CE2 4Å; F23-F77 HydrophobicContact CG-CE2 4Å; F23-F77 AromaticContact CG-CZ 3.51Å; F23-F77 HydrophobicContact CG-CZ 3.51Å; F23-F77 HydrophobicContact CZ-CZ 4.07Å; F23-F77 PolarHBondContact O-N 2.81Å; R52-F77 HydrophobicContact CG-CD1 4.26Å; E75-F77 WeakPolarHBondContact O-CD1 3.35Å; F77-N83 HydrophobicContact CD2-CB 3.83Å; F77-N83 HydrophobicContact CE2-CB 4.06Å; F77-L84 HydrophobicContact CE2-CD2 4.3Å; F77-Y124 AromaticContact CE1-CD1 3.98Å; F77-Y124 HydrophobicContact CE1-CD1 3.98Å; F77-Y124 AromaticContact CE1-CE1 3.95Å; F77-Y124 HydrophobicContact CE1-CE1 3.95Å; F77-Y124 AromaticContact CZ-CD1 3.59Å; F77-Y124 HydrophobicContact CZ-CD1 3.59Å; F77-Y124 AromaticContact CZ-CE1 3.97Å; F77-Y124 HydrophobicContact CZ-CE1 3.97Å; F77-Y124 HydrophobicContact CZ-CG 4.08Å
78E95.5Very high96.7Very high146 Ų14662.9 Ų62.968%0.68232%0.324SS*.  trans-82.7127.6173.3-67.8-175165.200111.4T80 N83E78-T80 HydrophobicContact CB-CG2 4.37Å; E78-T80 PolarHBondContact O-N 2.94Å; E78-N83 VanDerWaalsContact O-CB 3.23Å; E78-N83 WeakPolarHBondContact O-CB 3.49Å; E78-N83 PolarHBondContact O-ND2 2.95Å
79P94.1Very high96.7Very high69 Ų6959.5 Ų59.545%0.44831%0.309SS..  trans-77.362-175.932.1-35.7000113.1F23 L84F23-P79 HydrophobicContact CD2-CB 3.74Å; F23-P79 HydrophobicContact CD2-CG 4.21Å; F23-P79 HydrophobicContact CE2-CB 3.95Å; P79-L84 HydrophobicContact CB-CD1 4.16Å; P79-L84 HydrophobicContact CB-CD2 3.85Å; P79-L84 HydrophobicContact CB-CG 4.12Å
80T95.7Very high96.7Very high54 Ų5454.5 Ų54.533%0.33129%0.285SS..  trans-73.3156.8169.670.20000110.2E78 E82 N83 L84E78-T80 HydrophobicContact CB-CG2 4.37Å; E78-T80 PolarHBondContact O-N 2.94Å; T80-E82 PolarHBondContact O-N 2.91Å; T80-E82 VanDerWaalsContact O-N 3.11Å; T80-N83 CarbonylContact O-C 3.56Å; T80-N83 WeakPolarHBondContact O-CA 3.44Å; T80-N83 PolarHBondContact O-N 2.72Å; T80-N83 WeakPolarHBondContact OG1-CB 3.39Å; T80-N83 PolarHBondContact OG1-N 3.08Å; T80-N83 PolarHBondContact OG1-ND2 3.02Å; T80-L84 WeakPolarHBondContact O-CG 3.47Å; T80-L84 PolarHBondContact O-N 3.32Å
81P94.6Very high96.7Very high117 Ų11754.5 Ų54.576%0.7629%0.285SS*.THydrogen-bonded Turntrans-53-33.4175.8-28.835.9000114
82E94.9Very high96.7Very high119 Ų11954.1 Ų54.156%0.55628%0.281SS*.THydrogen-bonded Turntrans-67.4-46.5173.8-17361-144.800111.6T80 L84 K85T80-E82 PolarHBondContact O-N 2.91Å; T80-E82 VanDerWaalsContact O-N 3.11Å; E82-L84 VanDerWaalsContact C-N 3.26Å; E82-L84 PolarHBondContact O-N 3.12Å; E82-K85 WeakPolarHBondContact O-CB 3.2Å; E82-K85 WeakPolarHBondContact O-CG 3.36Å; E82-K85 PolarHBondContact O-N 2.71Å; E82-K85 WeakPolarHBondContact OE1-CD 3.42Å; E82-K85 WeakPolarHBondContact OE1-CE 3.46Å; E82-K85 IonicContact OE1-NZ 2.76Å; E82-K85 PolarHBondContact OE1-NZ 2.78Å; E82-K85 WeakPolarHBondContact OE2-CE 3.27Å; E82-K85 IonicContact OE2-NZ 2.64Å; E82-K85 PolarHBondContact OE2-NZ 2.66Å
83N94.8Very high96.7Very high45 Ų4554.3 Ų54.324%0.24128%0.282CS..THydrogen-bonded Turntrans-72.2-17.1-178.8-78.6-19.3000114R52 F77 E78 T80R52-N83 PolarHBondContact NH1-O 2.86Å; R52-N83 PolarHBondContact NH2-OD1 2.89Å; F77-N83 HydrophobicContact CD2-CB 3.83Å; F77-N83 HydrophobicContact CE2-CB 4.06Å; E78-N83 VanDerWaalsContact O-CB 3.23Å; E78-N83 WeakPolarHBondContact O-CB 3.49Å; E78-N83 PolarHBondContact O-ND2 2.95Å; T80-N83 CarbonylContact O-C 3.56Å; T80-N83 WeakPolarHBondContact O-CA 3.44Å; T80-N83 PolarHBondContact O-N 2.72Å; T80-N83 WeakPolarHBondContact OG1-CB 3.39Å; T80-N83 PolarHBondContact OG1-N 3.08Å; T80-N83 PolarHBondContact OG1-ND2 3.02Å
84L95.5Very high96.7Very high43 Ų4353.4 Ų53.423%0.22528%0.277CS..THydrogen-bonded Turntrans-91.61.3175.5-65.5175.2000112.9F23 F77 P79 T80 E82 Y124 P126F23-L84 HydrophobicContact CE2-CD2 3.86Å; F23-L84 HydrophobicContact CZ-CD2 4.22Å; F77-L84 HydrophobicContact CE2-CD2 4.3Å; P79-L84 HydrophobicContact CB-CD1 4.16Å; P79-L84 HydrophobicContact CB-CD2 3.85Å; P79-L84 HydrophobicContact CB-CG 4.12Å; T80-L84 WeakPolarHBondContact O-CG 3.47Å; T80-L84 PolarHBondContact O-N 3.32Å; E82-L84 VanDerWaalsContact C-N 3.26Å; E82-L84 PolarHBondContact O-N 3.12Å; L84-Y124 VanDerWaalsContact CD2-CB 3.5Å; L84-Y124 HydrophobicContact CD2-CG 4.46Å; L84-P126 HydrophobicContact CD1-CB 4.03Å; L84-P126 HydrophobicContact CD1-CG 4.32Å
85K96.6Very high96.7Very high117 Ų11755.1 Ų55.151%0.50929%0.286SS..SBendtrans-59.5150.9170.2-72.4-178.2-176.51690110.6E82 D87 Y124E82-K85 WeakPolarHBondContact O-CB 3.2Å; E82-K85 WeakPolarHBondContact O-CG 3.36Å; E82-K85 PolarHBondContact O-N 2.71Å; E82-K85 WeakPolarHBondContact OE1-CD 3.42Å; E82-K85 WeakPolarHBondContact OE1-CE 3.46Å; E82-K85 IonicContact OE1-NZ 2.76Å; E82-K85 PolarHBondContact OE1-NZ 2.78Å; E82-K85 WeakPolarHBondContact OE2-CE 3.27Å; E82-K85 IonicContact OE2-NZ 2.64Å; E82-K85 PolarHBondContact OE2-NZ 2.66Å; K85-D87 PolarHBondContact O-N 2.76Å; K85-Y124 WeakPolarHBondContact O-CD2 3.3Å; K85-Y124 WeakPolarHBondContact O-CE2 3.42Å
86Q97Very high96.6Very high122 Ų12252.8 Ų52.857%0.5728%0.276SS*.PPolyproline II helixtrans-65.1134179.6-67.2167.520.400110.5T121 V122 F123Q86-T121 HydrophobicContact CB-CG2 3.98Å; Q86-T121 HydrophobicContact CG-CG2 4.11Å; Q86-V122 VanDerWaalsContact CA-O 3.3Å; Q86-V122 WeakPolarHBondContact CA-O 3.47Å; Q86-F123 VanDerWaalsContact CD-CE1 3.43Å; Q86-F123 HydrophobicContact CG-CD1 3.87Å; Q86-F123 HydrophobicContact CG-CE1 3.83Å; Q86-F123 HydrophobicContact CG-CG 4.48Å; Q86-F123 HydrophobicContact CG-CZ 4.37Å
87D97.5Very high96.4Very high21 Ų2150.5 Ų50.511%0.11226%0.263CS..EExtended strand (participates in β ladder)trans-100.6169.7166.3-86.3-41.2000110T48 N49 I53 K85 V122 Y124T48-D87 WeakPolarHBondContact OG1-CA 3.18Å; T48-D87 PolarHBondContact OG1-OD1 2.96Å; N49-D87 VanDerWaalsContact CB-CG 3.46Å; N49-D87 VanDerWaalsContact CB-OD1 3.23Å; N49-D87 WeakPolarHBondContact CB-OD1 3.36Å; N49-D87 WeakPolarHBondContact CB-OD2 3.19Å; N49-D87 PolarHBondContact ND2-OD2 2.9Å; I53-D87 HydrophobicContact CD1-CB 3.99Å; K85-D87 PolarHBondContact O-N 2.76Å; D87-V122 HydrophobicContact CB-CB 4.09Å; D87-V122 PolarHBondContact N-O 3.42Å; D87-V122 VanDerWaalsContact N-O 3.12Å; D87-V122 PolarHBondContact O-N 3.44Å; D87-Y124 HydrophobicContact CB-CE2 4.33Å; D87-Y124 PolarHBondContact OD2-OH 3.26Å
88Q98.2Very high96.1Very high66 Ų6656 Ų5631%0.30829%0.293SS..EExtended strand (participates in β ladder)trans-134126.5177.7-173.9-179.583.100111.2S47 T48 H119S47-Q88 CarbonylContact C-O 3.39Å; S47-Q88 VanDerWaalsContact CA-O 3.31Å; S47-Q88 WeakPolarHBondContact CA-O 3.25Å; T48-Q88 HydrophobicContact CG2-CB 3.83Å; T48-Q88 PolarHBondContact N-O 2.85Å; T48-Q88 PolarHBondContact OG1-N 3.44Å; Q88-H119 VanDerWaalsContact CD-ND1 3.33Å; Q88-H119 HydrophobicContact CG-CB 3.99Å; Q88-H119 PolarHBondContact OE1-ND1 2.81Å
89I98.5Very high95.7Very high0 Ų053.1 Ų53.10%030%0.303CS..EExtended strand (participates in β ladder)trans-88.5129.5166.7-60.5169.4000107.4L17 I31 V45 K46 F55 A72 H119 I120 V122L17-I89 HydrophobicContact CD1-CD1 4.24Å; I31-I89 HydrophobicContact CD1-CD1 3.81Å; V45-I89 HydrophobicContact CG2-CG2 3.39Å; K46-I89 CarbonylContact O-C 3.57Å; K46-I89 WeakPolarHBondContact O-CA 3.38Å; F55-I89 HydrophobicContact CE1-CB 4.48Å; F55-I89 HydrophobicContact CE1-CD1 3.94Å; F55-I89 HydrophobicContact CE1-CG1 3.91Å; F55-I89 HydrophobicContact CE1-CG2 3.8Å; F55-I89 HydrophobicContact CZ-CB 4.38Å; F55-I89 HydrophobicContact CZ-CD1 4.4Å; F55-I89 HydrophobicContact CZ-CG1 3.88Å; F55-I89 HydrophobicContact CZ-CG2 3.88Å; A72-I89 HydrophobicContact CB-CD1 4.2Å; I89-H119 CarbonylContact O-C 3.57Å; I89-H119 WeakPolarHBondContact O-CA 3.4Å; I89-I120 HydrophobicContact CB-CB 4.27Å; I89-I120 PolarHBondContact N-O 3.35Å; I89-I120 PolarHBondContact O-N 2.92Å; I89-V122 HydrophobicContact CD1-CG2 3.59Å; I89-V122 HydrophobicContact CG1-CG2 3.63Å
90T98.5Very high95.3Very high10 Ų1054 Ų546%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-117.1120.9174.4-57.70000109.3V45 K46 E92 R117 K118 H119V45-T90 WeakPolarHBondContact CA-O 3.42Å; K46-T90 PolarHBondContact N-O 2.84Å; K46-T90 PolarHBondContact O-N 3.07Å; T90-E92 HydrophobicContact CG2-CG 3.91Å; T90-R117 HydrophobicContact CG2-CB 4.44Å; T90-K118 WeakPolarHBondContact CA-O 3.31Å; T90-H119 PolarHBondContact OG1-CE1 2.83Å; T90-H119 PolarHBondContact OG1-ND1 2.8Å
91I98.6Very high94.9Very high0 Ų053.9 Ų53.90%031%0.311CS..EExtended strand (participates in β ladder)trans-97.4122.3169.7-56.5163.4000106.9I9 T11 C44 V45 F70 W93 R117 K118 I120I9-I91 HydrophobicContact CD1-CB 4.18Å; I9-I91 HydrophobicContact CD1-CD1 4.42Å; I9-I91 HydrophobicContact CD1-CG2 3.65Å; T11-I91 HydrophobicContact CG2-CD1 3.68Å; C44-I91 WeakPolarHBondContact O-CA 3.35Å; V45-I91 HydrophobicContact CB-CG1 4.42Å; V45-I91 HydrophobicContact CG2-CG1 4.06Å; F70-I91 HydrophobicContact CE1-CD1 4.04Å; F70-I91 HydrophobicContact CE1-CG1 4.45Å; F70-I91 HydrophobicContact CZ-CD1 4.04Å; F70-I91 HydrophobicContact CZ-CG1 4.24Å; I91-W93 HydrophobicContact CG2-CE3 4.26Å; I91-W93 WeakPolarHBondContact O-CZ3 3.42Å; I91-R117 CarbonylContact O-C 3.6Å; I91-R117 WeakPolarHBondContact O-CA 3.36Å; I91-K118 PolarHBondContact N-O 2.71Å; I91-K118 PolarHBondContact O-N 3.39Å; I91-I120 HydrophobicContact CD1-CD1 4.24Å
92E98.2Very high94.8Very high23 Ų2354.6 Ų54.611%0.10730%0.298CS..EExtended strand (participates in β ladder)trans-109.9139.5175.2-53.1-172.8126.500108.9W43 C44 K46 T90 V115 R116 R117W43-E92 CarbonylContact C-O 3.17Å; W43-E92 VanDerWaalsContact CA-O 3.25Å; W43-E92 WeakPolarHBondContact CA-O 3.45Å; C44-E92 PolarHBondContact N-O 2.8Å; C44-E92 PolarHBondContact O-N 2.93Å; K46-E92 WeakPolarHBondContact CE-OE2 3.03Å; K46-E92 IonicContact NZ-OE1 2.85Å; K46-E92 PolarHBondContact NZ-OE1 2.89Å; K46-E92 IonicContact NZ-OE2 3.66Å; K46-E92 PolarHBondContact NZ-OE2 2.86Å; T90-E92 HydrophobicContact CG2-CG 3.91Å; E92-V115 HydrophobicContact CB-CG1 4.08Å; E92-R116 VanDerWaalsContact CA-O 3.31Å; E92-R116 WeakPolarHBondContact CA-O 3.22Å; E92-R117 HydrophobicContact CG-CG 4.13Å; E92-R117 IonicContact OE1-CZ 3.73Å; E92-R117 IonicContact OE1-NE 3.1Å; E92-R117 PolarHBondContact OE1-NE 3.11Å; E92-R117 IonicContact OE1-NH2 3.11Å; E92-R117 PolarHBondContact OE1-NH2 3.31Å; E92-R117 VanDerWaalsContact OE1-NH2 3.12Å
93W98.2Very high94.7Very high4 Ų457.6 Ų57.62%0.01531%0.309CS..EExtended strand (participates in β ladder)trans-147.4155.8176.570.197.6000113.3A7 I9 L41 A42 W43 I91 R116 R117 K118A7-W93 PolarHBondContact O-NE1 3.49Å; I9-W93 HydrophobicContact CB-CZ2 4.47Å; I9-W93 HydrophobicContact CD1-CD2 4.08Å; I9-W93 HydrophobicContact CD1-CE3 3.51Å; I9-W93 HydrophobicContact CD1-CH2 3.96Å; I9-W93 HydrophobicContact CD1-CZ2 4.44Å; I9-W93 HydrophobicContact CD1-CZ3 3.43Å; I9-W93 VanDerWaalsContact CD1-CZ3 3.43Å; I9-W93 HydrophobicContact CG1-CD2 4.21Å; I9-W93 HydrophobicContact CG1-CE3 3.97Å; I9-W93 HydrophobicContact CG1-CH2 3.6Å; I9-W93 HydrophobicContact CG1-CZ2 3.81Å; I9-W93 HydrophobicContact CG1-CZ3 3.65Å; I9-W93 HydrophobicContact CG2-CD2 4Å; I9-W93 HydrophobicContact CG2-CG 4.25Å; I9-W93 HydrophobicContact CG2-CZ2 4.31Å; L41-W93 HydrophobicContact CD1-CG 4.44Å; A42-W93 WeakPolarHBondContact O-CA 3.23Å; A42-W93 WeakPolarHBondContact O-CB 3.45Å; W43-W93 HydrophobicContact CB-CB 4.03Å; I91-W93 HydrophobicContact CG2-CE3 4.26Å; I91-W93 WeakPolarHBondContact O-CZ3 3.42Å; W93-R116 HydrophobicContact CD2-CB 3.82Å; W93-R116 HydrophobicContact CE3-CB 4.27Å; W93-R116 HydrophobicContact CG-CB 4.4Å; W93-R116 HydrophobicContact CH2-CB 3.85Å; W93-R116 HydrophobicContact CZ2-CB 3.37Å; W93-R116 HydrophobicContact CZ2-CG 4.23Å; W93-R116 HydrophobicContact CZ3-CB 4.29Å; W93-R116 PolarHBondContact N-O 2.92Å; W93-R116 PolarHBondContact O-N 3.21Å; W93-R117 VanDerWaalsContact CZ3-C 3.41Å; W93-K118 HydrophobicContact CH2-CB 3.83Å; W93-K118 HydrophobicContact CZ3-CB 3.57Å
94I97.9Very high94.6Very high1 Ų157.8 Ų57.81%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-134.2168.3178.262.1169.4000108.7L41 A42 A96 W108 M109 V113 V115L41-I94 CarbonylContact C-O 3.54Å; L41-I94 VanDerWaalsContact CA-O 3.25Å; L41-I94 WeakPolarHBondContact CA-O 3.11Å; L41-I94 WeakPolarHBondContact CD2-O 3.36Å; A42-I94 HydrophobicContact CB-CD1 4.36Å; A42-I94 HydrophobicContact CB-CG1 3.91Å; A42-I94 PolarHBondContact N-O 2.82Å; A42-I94 PolarHBondContact O-N 3.41Å; I94-A96 PolarHBondContact O-N 3.41Å; I94-W108 VanDerWaalsContact CD1-C 3.45Å; I94-W108 HydrophobicContact CD1-CB 3.61Å; I94-W108 VanDerWaalsContact CD1-O 3.31Å; I94-W108 WeakPolarHBondContact CD1-O 3.42Å; I94-M109 HydrophobicContact CB-SD 4.32Å; I94-M109 HydrophobicContact CD1-CG 4.39Å; I94-M109 HydrophobicContact CD1-SD 4.06Å; I94-M109 HydrophobicContact CG1-CE 4.13Å; I94-M109 HydrophobicContact CG1-SD 3.87Å; I94-M109 HydrophobicContact CG2-SD 3.61Å; I94-V113 HydrophobicContact CB-CG2 4.2Å; I94-V113 HydrophobicContact CD1-CG2 4.19Å; I94-V113 HydrophobicContact CG2-CB 4.45Å; I94-V113 HydrophobicContact CG2-CG2 3.6Å; I94-V115 HydrophobicContact CG2-CB 4.25Å; I94-V115 HydrophobicContact CG2-CG1 4.48Å; I94-V115 HydrophobicContact CG2-CG2 3.74Å
95L96.6Very high94.6Very high37 Ų3758 Ų5819%0.19431%0.31CS..EExtended strand (participates in β ladder)trans-64.4130.3162.6-71.3168.9000108.8Q4 P6 K39 L41Q4-L95 HydrophobicContact CB-CD1 3.6Å; Q4-L95 HydrophobicContact CG-CD1 3.7Å; Q4-L95 WeakPolarHBondContact O-CD1 3.36Å; P6-L95 HydrophobicContact CB-CD2 4.48Å; P6-L95 HydrophobicContact CB-CG 4.18Å; P6-L95 HydrophobicContact CG-CG 4.15Å; K39-L95 HydrophobicContact CB-CD2 3.76Å; K39-L95 HydrophobicContact CD-CD2 4.1Å; L41-L95 HydrophobicContact CD2-CD2 3.98Å
96A95.5Very high94.4Very high8 Ų861.4 Ų61.47%0.06632%0.319CS..PPolyproline II helixtrans-65135.7172.100000109P40 A42 V61 I94P40-A96 HydrophobicContact CB-CB 3.95Å; P40-A96 HydrophobicContact CG-CB 4.09Å; P40-A96 PolarHBondContact O-N 2.92Å; A42-A96 HydrophobicContact CB-CB 4.38Å; V61-A96 HydrophobicContact CG1-CB 4.34Å; I94-A96 PolarHBondContact O-N 3.41Å
97P92.7Very high94.3Very high32 Ų3261.1 Ų61.121%0.20832%0.318CS..PPolyproline II helixtrans-59.3138.2175.9-2535.8000111.9G99 E100 W108P97-G99 PolarHBondContact O-N 2.95Å; P97-E100 HydrophobicContact CB-CB 4.46Å; P97-E100 HydrophobicContact CB-CG 4.12Å; P97-E100 PolarHBondContact O-N 2.75Å; P97-W108 VanDerWaalsContact CD-CD2 3.44Å; P97-W108 VanDerWaalsContact CD-CE3 3.43Å; P97-W108 HydrophobicContact CG-CB 4.16Å; P97-W108 HydrophobicContact CG-CD2 3.62Å; P97-W108 HydrophobicContact CG-CE3 4.16Å; P97-W108 HydrophobicContact CG-CG 3.62Å
98D89.3Confident94.1Very high141 Ų14160.2 Ų60.275%0.75431%0.313SS*.THydrogen-bonded Turntrans-61.2132179.5-66.6-38000110.6E100D98-E100 VanDerWaalsContact C-N 3.34Å; D98-E100 PolarHBondContact O-N 2.56Å
99G87.8Confident93.9Very high87 Ų8758.5 Ų58.590%0.89731%0.305SS*.THydrogen-bonded Turntrans81.9-3.517500000116.4P97P97-G99 PolarHBondContact O-N 2.95Å
100E85.2Confident93.6Very high87 Ų8765.3 Ų65.341%0.40734%0.337SS..  trans-90.90.7-177.9-62.3-146-138.300115P97 D98 W108 R111P97-E100 HydrophobicContact CB-CB 4.46Å; P97-E100 HydrophobicContact CB-CG 4.12Å; P97-E100 PolarHBondContact O-N 2.75Å; D98-E100 VanDerWaalsContact C-N 3.34Å; D98-E100 PolarHBondContact O-N 2.56Å; E100-W108 HydrophobicContact CB-CH2 3.96Å; E100-W108 HydrophobicContact CB-CZ2 3.39Å; E100-W108 HydrophobicContact CG-CZ2 4.26Å; E100-W108 PolarHBondContact OE2-NE1 2.99Å; E100-R111 IonicContact OE1-CZ 2.94Å; E100-R111 IonicContact OE1-NH1 3.34Å; E100-R111 PolarHBondContact OE1-NH1 3.24Å; E100-R111 VanDerWaalsContact OE1-NH1 3.16Å; E100-R111 IonicContact OE1-NH2 2.72Å; E100-R111 PolarHBondContact OE1-NH2 3.15Å; E100-R111 VanDerWaalsContact OE1-NH2 3.15Å
101G87.9Confident93.2Very high51 Ų5170.2 Ų70.253%0.52635%0.354SS..  trans74.1-15917100000114.9
102R91Very high92.9Very high133 Ų13376.3 Ų76.350%0.50239%0.387SS..SBendtrans-95.5-4.2-171.5-61.5-168.266151.9-4.5114.9V61 D63 E66 F104V61-R102 WeakPolarHBondContact CG2-O 3.23Å; D63-R102 IonicContact OD2-CZ 3.12Å; D63-R102 IonicContact OD2-NE 2.76Å; D63-R102 IonicContact OD2-NH1 2.71Å; D63-R102 PolarHBondContact OD2-NH1 3.32Å; E66-R102 IonicContact OE1-CZ 3.15Å; E66-R102 IonicContact OE1-NH1 3.16Å; E66-R102 IonicContact OE1-NH2 3.22Å; E66-R102 PolarHBondContact OE1-NH2 2.88Å; E66-R102 IonicContact OE2-CZ 2.63Å; E66-R102 IonicContact OE2-NH1 3.63Å; E66-R102 IonicContact OE2-NH2 3.29Å; E66-R102 PolarHBondContact OE2-NH2 3.19Å; R102-F104 PolarHBondContact O-N 2.77Å
103K92.4Very high92.7Very high181 Ų18177.7 Ų77.779%0.78740%0.397SS*.SBendtrans-82.3110.3178.2-174179.9179.6-177.70108.9N105 W108K103-N105 PolarHBondContact O-N 2.96Å; K103-W108 VanDerWaalsContact O-CH2 3.23Å; K103-W108 WeakPolarHBondContact O-CH2 3.48Å
104F94.6Very high92.6Very high49 Ų4980.1 Ų80.122%0.21541%0.41CS..  trans-56.6134.4177.2178.1-98.5000111.8A42 W43 C44 A59 R102 R106 M109A42-F104 HydrophobicContact CB-CD2 4.05Å; A42-F104 HydrophobicContact CB-CE2 4.15Å; W43-F104 WeakPolarHBondContact O-CE2 3.23Å; C44-F104 HydrophobicContact CB-CZ 4.18Å; A59-F104 HydrophobicContact CB-CD1 3.54Å; A59-F104 HydrophobicContact CB-CD2 4.2Å; A59-F104 HydrophobicContact CB-CE1 3.6Å; A59-F104 HydrophobicContact CB-CE2 4.26Å; A59-F104 HydrophobicContact CB-CG 3.85Å; A59-F104 HydrophobicContact CB-CZ 3.98Å; R102-F104 PolarHBondContact O-N 2.77Å; F104-R106 HydrophobicContact CE1-CB 3.92Å; F104-R106 HydrophobicContact CZ-CB 4.43Å; F104-M109 HydrophobicContact CE2-CE 3.81Å; F104-M109 HydrophobicContact CE2-CG 4.34Å; F104-M109 HydrophobicContact CZ-CE 4.27Å; F104-M109 HydrophobicContact CZ-CG 4.15Å
105N94.5Very high92.6Very high49 Ų4982 Ų8226%0.26242%0.421SS..  trans-121.3122.5167.1-178.4-9.3000109.7K103 E107 W108K103-N105 PolarHBondContact O-N 2.96Å; N105-E107 PolarHBondContact ND2-OE2 2.83Å; N105-E107 PolarHBondContact O-N 2.88Å; N105-E107 WeakPolarHBondContact OD1-CB 3.43Å; N105-E107 WeakPolarHBondContact OD1-CG 3.26Å; N105-E107 PolarHBondContact OD1-N 2.91Å; N105-W108 HydrophobicContact CB-CD2 3.92Å; N105-W108 HydrophobicContact CB-CG 4.14Å; N105-W108 HydrophobicContact CB-CZ2 3.9Å; N105-W108 WeakPolarHBondContact O-CB 3.45Å; N105-W108 PolarHBondContact O-N 2.88Å; N105-W108 VanDerWaalsContact O-N 3.15Å
106R93.1Very high92.7Very high188 Ų18883.2 Ų83.271%0.70942%0.423SS*.G310 helixtrans-61.3-28.6-179.4-171.2174.2-176.3-178.60.9113F104 W108 M109F104-R106 HydrophobicContact CE1-CB 3.92Å; F104-R106 HydrophobicContact CZ-CB 4.43Å; R106-W108 PolarHBondContact O-N 2.8Å; R106-M109 WeakPolarHBondContact O-CB 3.25Å; R106-M109 PolarHBondContact O-N 2.91Å
107E94.2Very high92.8Very high115 Ų11589.3 Ų89.354%0.53745%0.445SS..G310 helixtrans-62.5-27.9178.4-65.1175.3169.500112.2N105 M109 Q110 R111N105-E107 PolarHBondContact ND2-OE2 2.83Å; N105-E107 PolarHBondContact O-N 2.88Å; N105-E107 WeakPolarHBondContact OD1-CB 3.43Å; N105-E107 WeakPolarHBondContact OD1-CG 3.26Å; N105-E107 PolarHBondContact OD1-N 2.91Å; E107-M109 PolarHBondContact O-N 2.98Å; E107-Q110 WeakPolarHBondContact O-CB 3.4Å; E107-Q110 PolarHBondContact O-N 2.97Å; E107-R111 PolarHBondContact O-N 3.27Å
108W94.2Very high93Very high2 Ų289.6 Ų89.61%0.00844%0.442CS..G310 helixtrans-59.7-33.5177.5-57.9-16000112.1A42 V61 I94 P97 E100 K103 N105 R106 Q110 R111A42-W108 HydrophobicContact CB-CE3 3.71Å; A42-W108 HydrophobicContact CB-CZ3 4.03Å; V61-W108 HydrophobicContact CG2-CZ3 4.04Å; I94-W108 VanDerWaalsContact CD1-C 3.45Å; I94-W108 HydrophobicContact CD1-CB 3.61Å; I94-W108 VanDerWaalsContact CD1-O 3.31Å; I94-W108 WeakPolarHBondContact CD1-O 3.42Å; P97-W108 VanDerWaalsContact CD-CD2 3.44Å; P97-W108 VanDerWaalsContact CD-CE3 3.43Å; P97-W108 HydrophobicContact CG-CB 4.16Å; P97-W108 HydrophobicContact CG-CD2 3.62Å; P97-W108 HydrophobicContact CG-CE3 4.16Å; P97-W108 HydrophobicContact CG-CG 3.62Å; E100-W108 HydrophobicContact CB-CH2 3.96Å; E100-W108 HydrophobicContact CB-CZ2 3.39Å; E100-W108 HydrophobicContact CG-CZ2 4.26Å; E100-W108 PolarHBondContact OE2-NE1 2.99Å; K103-W108 VanDerWaalsContact O-CH2 3.23Å; K103-W108 WeakPolarHBondContact O-CH2 3.48Å; N105-W108 HydrophobicContact CB-CD2 3.92Å; N105-W108 HydrophobicContact CB-CG 4.14Å; N105-W108 HydrophobicContact CB-CZ2 3.9Å; N105-W108 WeakPolarHBondContact O-CB 3.45Å; N105-W108 PolarHBondContact O-N 2.88Å; N105-W108 VanDerWaalsContact O-N 3.15Å; R106-W108 PolarHBondContact O-N 2.8Å; W108-Q110 PolarHBondContact O-N 3.37Å; W108-R111 VanDerWaalsContact CD1-CZ 3.45Å; W108-R111 PolarHBondContact O-N 3.42Å
109M92.6Very high93.5Very high30 Ų3086.9 Ų86.915%0.14843%0.425CS..G310 helixtrans-73.3-16.3177.1-63.9-78-173.200113.2A42 C44 I94 F104 R106 E107A42-M109 HydrophobicContact CB-CE 4.49Å; A42-M109 WeakPolarHBondContact O-CE 3.39Å; C44-M109 HydrophobicContact CB-CE 4.4Å; I94-M109 HydrophobicContact CB-SD 4.32Å; I94-M109 HydrophobicContact CD1-CG 4.39Å; I94-M109 HydrophobicContact CD1-SD 4.06Å; I94-M109 HydrophobicContact CG1-CE 4.13Å; I94-M109 HydrophobicContact CG1-SD 3.87Å; I94-M109 HydrophobicContact CG2-SD 3.61Å; F104-M109 HydrophobicContact CE2-CE 3.81Å; F104-M109 HydrophobicContact CE2-CG 4.34Å; F104-M109 HydrophobicContact CZ-CE 4.27Å; F104-M109 HydrophobicContact CZ-CG 4.15Å; R106-M109 WeakPolarHBondContact O-CB 3.25Å; R106-M109 PolarHBondContact O-N 2.91Å; E107-M109 PolarHBondContact O-N 2.98Å
110Q91.8Very high94Very high144 Ų14482.8 Ų82.867%0.67338%0.382SS*.G310 helixtrans-98.3-10.9179.6-60.6176.2-8.700112.3E107 W108E107-Q110 WeakPolarHBondContact O-CB 3.4Å; E107-Q110 PolarHBondContact O-N 2.97Å; W108-Q110 PolarHBondContact O-N 3.37Å
111R91Very high94.6Very high112 Ų11280.3 Ų80.342%0.42337%0.373SS..SBendtrans-66168.6173-66.4179.1-175.5176.11.4110E100 E107 W108 V113E100-R111 IonicContact OE1-CZ 2.94Å; E100-R111 IonicContact OE1-NH1 3.34Å; E100-R111 PolarHBondContact OE1-NH1 3.24Å; E100-R111 VanDerWaalsContact OE1-NH1 3.16Å; E100-R111 IonicContact OE1-NH2 2.72Å; E100-R111 PolarHBondContact OE1-NH2 3.15Å; E100-R111 VanDerWaalsContact OE1-NH2 3.15Å; E107-R111 PolarHBondContact O-N 3.27Å; W108-R111 VanDerWaalsContact CD1-CZ 3.45Å; W108-R111 PolarHBondContact O-N 3.42Å; R111-V113 HydrophobicContact CB-CG1 4.01Å; R111-V113 PolarHBondContact O-N 3.43Å
112D92.8Very high95.1Very high129 Ų12977.9 Ų77.969%0.6935%0.348SS*.SBendtrans-74.671.3176.3-169.631000111.8K3K3-D112 VanDerWaalsContact CE-CG 3.43Å; K3-D112 WeakPolarHBondContact CE-O 3.15Å; K3-D112 WeakPolarHBondContact CE-OD2 3.28Å; K3-D112 IonicContact NZ-OD1 3.67Å; K3-D112 PolarHBondContact NZ-OD1 3.22Å; K3-D112 IonicContact NZ-OD2 3.97Å; K3-D112 PolarHBondContact NZ-OD2 3.19Å
113V93.6Very high95.4Very high52 Ų5273.7 Ų73.732%0.31533%0.334SS..  trans-122.3162.3-173.8-62.40000112.1I94 R111 V115I94-V113 HydrophobicContact CB-CG2 4.2Å; I94-V113 HydrophobicContact CD1-CG2 4.19Å; I94-V113 HydrophobicContact CG2-CB 4.45Å; I94-V113 HydrophobicContact CG2-CG2 3.6Å; R111-V113 HydrophobicContact CB-CG1 4.01Å; R111-V113 PolarHBondContact O-N 3.43Å; V113-V115 HydrophobicContact CG2-CG2 4.25Å; V113-V115 PolarHBondContact O-N 3.28Å
114I96.8Very high95.6Very high55 Ų5565.9 Ų65.928%0.28230%0.299SS..  trans-82.8115171.4-64.4171.5000108.4K3 M5 P6K3-I114 HydrophobicContact CB-CD1 3.69Å; K3-I114 HydrophobicContact CB-CG1 3.9Å; K3-I114 HydrophobicContact CD-CG1 4.26Å; M5-I114 HydrophobicContact CB-CD1 4.45Å; P6-I114 WeakPolarHBondContact CG-O 3.32Å
115V96.8Very high95.6Very high40 Ų4067.6 Ų67.624%0.24231%0.311CS..  trans-96120.8174.6-175.60000109.6E92 I94 V113E92-V115 HydrophobicContact CB-CG1 4.08Å; I94-V115 HydrophobicContact CG2-CB 4.25Å; I94-V115 HydrophobicContact CG2-CG1 4.48Å; I94-V115 HydrophobicContact CG2-CG2 3.74Å; V113-V115 HydrophobicContact CG2-CG2 4.25Å; V113-V115 PolarHBondContact O-N 3.28Å
116R98.2Very high95.2Very high62 Ų6271 Ų7123%0.23434%0.335CS..EExtended strand (participates in β ladder)trans-94.6156.5168.8-66.5-172.978.6120.76.4110.4M5 P6 D8 E92 W93M5-R116 PolarHBondContact SD-NH1 3.44Å; P6-R116 HydrophobicContact CB-CG 4.33Å; P6-R116 HydrophobicContact CG-CG 4.23Å; P6-R116 WeakPolarHBondContact O-CD 3.5Å; P6-R116 PolarHBondContact O-NH1 3.1Å; P6-R116 VanDerWaalsContact O-NH1 3.08Å; D8-R116 IonicContact OD1-CZ 2.75Å; D8-R116 IonicContact OD1-NE 3.65Å; D8-R116 PolarHBondContact OD1-NE 3.21Å; D8-R116 IonicContact OD1-NH2 2.56Å; D8-R116 PolarHBondContact OD1-NH2 2.93Å; D8-R116 IonicContact OD2-CZ 2.78Å; D8-R116 IonicContact OD2-NH2 2.66Å; D8-R116 PolarHBondContact OD2-NH2 2.94Å; D8-R116 VanDerWaalsContact OD2-NH2 3.11Å; E92-R116 VanDerWaalsContact CA-O 3.31Å; E92-R116 WeakPolarHBondContact CA-O 3.22Å; W93-R116 HydrophobicContact CD2-CB 3.82Å; W93-R116 HydrophobicContact CE3-CB 4.27Å; W93-R116 HydrophobicContact CG-CB 4.4Å; W93-R116 HydrophobicContact CH2-CB 3.85Å; W93-R116 HydrophobicContact CZ2-CB 3.37Å; W93-R116 HydrophobicContact CZ2-CG 4.23Å; W93-R116 HydrophobicContact CZ3-CB 4.29Å; W93-R116 PolarHBondContact N-O 2.92Å; W93-R116 PolarHBondContact O-N 3.21Å
117R98Very high95.4Very high137 Ų13765.1 Ų65.152%0.51732%0.317SS..EExtended strand (participates in β ladder)trans-137.3144.6-177.1-58.5-173.3168.4768.7110.5T90 I91 E92 W93T90-R117 HydrophobicContact CG2-CB 4.44Å; I91-R117 CarbonylContact O-C 3.6Å; I91-R117 WeakPolarHBondContact O-CA 3.36Å; E92-R117 HydrophobicContact CG-CG 4.13Å; E92-R117 IonicContact OE1-CZ 3.73Å; E92-R117 IonicContact OE1-NE 3.1Å; E92-R117 PolarHBondContact OE1-NE 3.11Å; E92-R117 IonicContact OE1-NH2 3.11Å; E92-R117 PolarHBondContact OE1-NH2 3.31Å; E92-R117 VanDerWaalsContact OE1-NH2 3.12Å; W93-R117 VanDerWaalsContact CZ3-C 3.41Å
118K98Very high95.4Very high38 Ų3862.5 Ų62.517%0.16531%0.305CS..EExtended strand (participates in β ladder)trans-136.6137.6170.5-177164.7-173.2174.40109.1I9 T11 L14 T90 I91 W93I9-K118 HydrophobicContact CD1-CB 4.4Å; I9-K118 HydrophobicContact CG1-CD 4.25Å; T11-K118 HydrophobicContact CG2-CD 3.84Å; T11-K118 WeakPolarHBondContact OG1-CE 3.48Å; T11-K118 PolarHBondContact OG1-NZ 2.85Å; L14-K118 WeakPolarHBondContact O-CE 3.47Å; L14-K118 PolarHBondContact O-NZ 3.45Å; T90-K118 WeakPolarHBondContact CA-O 3.31Å; I91-K118 PolarHBondContact N-O 2.71Å; I91-K118 PolarHBondContact O-N 3.39Å; W93-K118 HydrophobicContact CH2-CB 3.83Å; W93-K118 HydrophobicContact CZ3-CB 3.57Å
119H98.3Very high95.5Very high84 Ų8465.8 Ų65.839%0.38932%0.322SS..EExtended strand (participates in β ladder)trans-111137.7-177.8-57.7-73000110.3Q88 I89 T90Q88-H119 VanDerWaalsContact CD-ND1 3.33Å; Q88-H119 HydrophobicContact CG-CB 3.99Å; Q88-H119 PolarHBondContact OE1-ND1 2.81Å; I89-H119 CarbonylContact O-C 3.57Å; I89-H119 WeakPolarHBondContact O-CA 3.4Å; T90-H119 PolarHBondContact OG1-CE1 2.83Å; T90-H119 PolarHBondContact OG1-ND1 2.8Å
120I98.5Very high95.7Very high0 Ų067.9 Ų67.90%033%0.332CS..EExtended strand (participates in β ladder)trans-120.9116.5168.4-60.2171.8000106.4T11 P13 D15 L17 I31 I89 I91T11-I120 HydrophobicContact CG2-CD1 4.47Å; P13-I120 HydrophobicContact CG-CG2 4.43Å; D15-I120 CarbonylContact O-C 3.55Å; D15-I120 WeakPolarHBondContact O-CA 3.44Å; L17-I120 HydrophobicContact CB-CG2 3.86Å; I31-I120 HydrophobicContact CD1-CD1 4.43Å; I31-I120 HydrophobicContact CG2-CD1 3.92Å; I89-I120 HydrophobicContact CB-CB 4.27Å; I89-I120 PolarHBondContact N-O 3.35Å; I89-I120 PolarHBondContact O-N 2.92Å; I91-I120 HydrophobicContact CD1-CD1 4.24Å
121T98.5Very high95.9Very high35 Ų3563.2 Ų63.222%0.21531%0.311CS..EExtended strand (participates in β ladder)trans-76.3130.4176.3-56.10000109.4D15 K16 L17 Q86 F123D15-T121 PolarHBondContact O-N 3.24Å; K16-T121 CarbonylContact C-O 3.57Å; K16-T121 WeakPolarHBondContact CA-O 3.14Å; L17-T121 PolarHBondContact N-O 3.39Å; Q86-T121 HydrophobicContact CB-CG2 3.98Å; Q86-T121 HydrophobicContact CG-CG2 4.11Å; T121-F123 HydrophobicContact CG2-CD2 4.07Å; T121-F123 HydrophobicContact CG2-CE2 3.41Å; T121-F123 VanDerWaalsContact CG2-CE2 3.41Å; T121-F123 HydrophobicContact CG2-CZ 3.67Å
122V98.3Very high96.2Very high0 Ų059.9 Ų59.90%030%0.303CS..EExtended strand (participates in β ladder)trans-100.4125.8178.8-179.30000109L17 F19 I53 Q86 D87 I89 Y124L17-V122 HydrophobicContact CD2-CG1 4.07Å; L17-V122 HydrophobicContact CD2-CG2 4.42Å; L17-V122 CarbonylContact O-C 3.57Å; L17-V122 WeakPolarHBondContact O-CA 3.02Å; F19-V122 HydrophobicContact CD2-CG1 3.58Å; F19-V122 HydrophobicContact CE2-CG1 3.84Å; I53-V122 HydrophobicContact CD1-CB 4.3Å; I53-V122 HydrophobicContact CD1-CG1 4.09Å; I53-V122 HydrophobicContact CD1-CG2 4Å; Q86-V122 VanDerWaalsContact CA-O 3.3Å; Q86-V122 WeakPolarHBondContact CA-O 3.47Å; D87-V122 HydrophobicContact CB-CB 4.09Å; D87-V122 PolarHBondContact N-O 3.42Å; D87-V122 VanDerWaalsContact N-O 3.12Å; D87-V122 PolarHBondContact O-N 3.44Å; I89-V122 HydrophobicContact CD1-CG2 3.59Å; I89-V122 HydrophobicContact CG1-CG2 3.63Å; V122-Y124 HydrophobicContact CG1-CE1 4.11Å; V122-Y124 HydrophobicContact CG1-CE2 4.21Å
123F97.9Very high96.5Very high46 Ų4655 Ų5520%0.20228%0.276CS..EExtended strand (participates in β ladder)trans-112.1147.3176.8-65.2-98.8000109.8K16 L17 Y18 F19 Q86 T121K16-F123 HydrophobicContact CB-CD2 4.46Å; K16-F123 HydrophobicContact CB-CE2 4.17Å; K16-F123 HydrophobicContact CD-CE2 4.1Å; K16-F123 HydrophobicContact CG-CE2 3.89Å; L17-F123 PolarHBondContact O-N 3.15Å; Y18-F123 WeakPolarHBondContact CA-O 3.38Å; Y18-F123 HydrophobicContact CD1-CB 3.45Å; Y18-F123 VanDerWaalsContact CD1-CB 3.45Å; Y18-F123 HydrophobicContact CD1-CG 4.15Å; Y18-F123 HydrophobicContact CE1-CB 3.54Å; Y18-F123 HydrophobicContact CE1-CD1 4.31Å; Y18-F123 HydrophobicContact CE1-CD2 4.04Å; Y18-F123 AromaticContact CE1-CG 3.72Å; Y18-F123 HydrophobicContact CE1-CG 3.72Å; Y18-F123 HydrophobicContact CG-CB 4.22Å; F19-F123 PolarHBondContact N-O 3.16Å; Q86-F123 VanDerWaalsContact CD-CE1 3.43Å; Q86-F123 HydrophobicContact CG-CD1 3.87Å; Q86-F123 HydrophobicContact CG-CE1 3.83Å; Q86-F123 HydrophobicContact CG-CG 4.48Å; Q86-F123 HydrophobicContact CG-CZ 4.37Å; T121-F123 HydrophobicContact CG2-CD2 4.07Å; T121-F123 HydrophobicContact CG2-CE2 3.41Å; T121-F123 VanDerWaalsContact CG2-CE2 3.41Å; T121-F123 HydrophobicContact CG2-CZ 3.67Å
124Y96.5Very high96.7Very high16 Ų1655.2 Ų55.26%0.06327%0.273CS..EExtended strand (participates in β ladder)trans-115.1117.1176.2-58.1-77.4000108.7F19 F23 R52 I53 F77 L84 K85 D87 V122 P126F19-Y124 HydrophobicContact CB-CD1 3.92Å; F19-Y124 HydrophobicContact CB-CE1 4.16Å; F19-Y124 HydrophobicContact CD2-CD1 4.45Å; F19-Y124 AromaticContact CD2-CE1 3.88Å; F19-Y124 HydrophobicContact CD2-CE1 3.88Å; F19-Y124 HydrophobicContact CG-CE1 4.44Å; F19-Y124 WeakPolarHBondContact O-CA 3.35Å; F23-Y124 AromaticContact CE1-CD1 3.94Å; F23-Y124 HydrophobicContact CE1-CD1 3.94Å; F23-Y124 HydrophobicContact CZ-CD1 4.33Å; R52-Y124 WeakPolarHBondContact CD-OH 3.48Å; I53-Y124 WeakPolarHBondContact CD1-OH 3.35Å; F77-Y124 AromaticContact CE1-CD1 3.98Å; F77-Y124 HydrophobicContact CE1-CD1 3.98Å; F77-Y124 AromaticContact CE1-CE1 3.95Å; F77-Y124 HydrophobicContact CE1-CE1 3.95Å; F77-Y124 AromaticContact CZ-CD1 3.59Å; F77-Y124 HydrophobicContact CZ-CD1 3.59Å; F77-Y124 AromaticContact CZ-CE1 3.97Å; F77-Y124 HydrophobicContact CZ-CE1 3.97Å; F77-Y124 HydrophobicContact CZ-CG 4.08Å; L84-Y124 VanDerWaalsContact CD2-CB 3.5Å; L84-Y124 HydrophobicContact CD2-CG 4.46Å; K85-Y124 WeakPolarHBondContact O-CD2 3.3Å; K85-Y124 WeakPolarHBondContact O-CE2 3.42Å; D87-Y124 HydrophobicContact CB-CE2 4.33Å; D87-Y124 PolarHBondContact OD2-OH 3.26Å; V122-Y124 HydrophobicContact CG1-CE1 4.11Å; V122-Y124 HydrophobicContact CG1-CE2 4.21Å; Y124-P126 WeakPolarHBondContact O-CD 3.23Å
125N94.5Very high96.7Very high85 Ų8555.3 Ų55.346%0.45527%0.272SS..EExtended strand (participates in β ladder)trans-97.4112.4177.8-172.231.8000108.8F19 N20 A21 F23F19-N125 PolarHBondContact O-N 3.41Å; N20-N125 CarbonylContact C-O 3.45Å; N20-N125 VanDerWaalsContact OD1-CB 3.31Å; N20-N125 WeakPolarHBondContact OD1-CB 3.31Å; N20-N125 PolarHBondContact OD1-ND2 3.41Å; A21-N125 WeakPolarHBondContact CB-O 3.24Å; A21-N125 PolarHBondContact N-O 2.63Å; F23-N125 WeakPolarHBondContact CZ-O 3.44Å
126P86.7Confident96.7Very high120 Ų12056.6 Ų56.678%0.77927%0.274SS*.  trans-72.20-175.630.4-35.2000114.3A21 L84 Y124A21-P126 VanDerWaalsContact CB-C 3.42Å; A21-P126 WeakPolarHBondContact CB-OXT 3.45Å; L84-P126 HydrophobicContact CD1-CB 4.03Å; L84-P126 HydrophobicContact CD1-CG 4.32Å; Y124-P126 WeakPolarHBondContact O-CD 3.23Å

Retrieved 126 of 126 residues in 200.8 ms (Link to these results)

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