A0A077YZF7_TRITR Loading...

N-acetylglucosaminylphosphatidylinositol deacetylase

AlphaFold DB , UniProt , Accession A0A077YZF7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 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
1M38.5Very low64.8Low129 Ų12986.7 Ų86.764%0.63542%0.423SS*.  0115.30-90.5157.356.100109L3 F169 I185M1-L3 HydrophobicContact CE-CD1 3.7Å; M1-L3 PolarHBondContact O-N 3.4Å; M1-F169 HydrophobicContact CE-CE1 4.36Å; M1-I185 HydrophobicContact CE-CB 4.27Å; M1-I185 HydrophobicContact CE-CD1 3.22Å; M1-I185 HydrophobicContact CE-CG1 4.26Å; M1-I185 HydrophobicContact CE-CG2 4.14Å
2K37.6Very low67.1Low158 Ų15890.8 Ų90.869%0.68745%0.448SS*.  trans-72.962.2171.4-59.6171.3171.8172.90109.9T4 Y176K2-T4 PolarHBondContact O-N 2.97Å; K2-Y176 WeakPolarHBondContact CA-OH 3.39Å; K2-Y176 WeakPolarHBondContact CB-OH 3.32Å; K2-Y176 PolarHBondContact N-OH 3.22Å; K2-Y176 PolarHBondContact O-OH 3.29Å; K2-Y176 VanDerWaalsContact O-OH 3.09Å
3L48.1Very low69.3Low35 Ų3589.3 Ų89.318%0.18344%0.437CS..  trans-70.6-13168.9-134.387.4000111.3M1 V7 C183 I185M1-L3 HydrophobicContact CE-CD1 3.7Å; M1-L3 PolarHBondContact O-N 3.4Å; L3-V7 VanDerWaalsContact O-CG2 3.32Å; L3-V7 WeakPolarHBondContact O-CG2 3.4Å; L3-C183 WeakPolarHBondContact CD2-O 3.23Å; L3-C183 WeakPolarHBondContact CG-O 3.05Å; L3-I185 HydrophobicContact CD1-CB 4.26Å; L3-I185 HydrophobicContact CD1-CD1 3.69Å; L3-I185 HydrophobicContact CD1-CG1 4.06Å; L3-I185 HydrophobicContact CD2-CB 3.85Å; L3-I185 HydrophobicContact CD2-CG1 4.35Å
4T52.1Low71.3Confident86 Ų8684.7 Ų84.753%0.52842%0.417SS..Hα-helixtrans-81.6-35.9-162.735.20000115K2 L6 V7 Q8K2-T4 PolarHBondContact O-N 2.97Å; T4-L6 PolarHBondContact O-N 2.86Å; T4-V7 PolarHBondContact O-N 3.34Å; T4-Q8 WeakPolarHBondContact O-CG 3.16Å; T4-Q8 PolarHBondContact O-N 3.04Å
5R54.6Low73.1Confident196 Ų19679.1 Ų79.174%0.7439%0.389SS*.Hα-helixtrans-62.8-52.3-170.6-78-169.8179.6-174.3-2113.1V7 Q8 D9R5-V7 VanDerWaalsContact C-N 3.34Å; R5-V7 PolarHBondContact O-N 2.79Å; R5-Q8 PolarHBondContact O-N 3.09Å; R5-D9 PolarHBondContact O-N 3.19Å
6L65.4Low74.7Confident85 Ų8574.1 Ų74.145%0.44537%0.365SS..Hα-helixtrans-67-34-179.3-72.8163.6000112.9T4 Q8 D9 L182T4-L6 PolarHBondContact O-N 2.86Å; L6-Q8 VanDerWaalsContact C-N 3.33Å; L6-D9 WeakPolarHBondContact O-CB 3.14Å; L6-D9 PolarHBondContact O-N 3.35Å; L6-L182 HydrophobicContact CB-CD1 3.83Å
7V71.8Confident76.1Confident11 Ų1169.9 Ų69.97%0.06734%0.344CS..Hα-helixtrans-69.7-34.1177.9178.30000111L3 T4 R5 D9 F10 I39 L182 F184L3-V7 VanDerWaalsContact O-CG2 3.32Å; L3-V7 WeakPolarHBondContact O-CG2 3.4Å; T4-V7 PolarHBondContact O-N 3.34Å; R5-V7 VanDerWaalsContact C-N 3.34Å; R5-V7 PolarHBondContact O-N 2.79Å; V7-D9 PolarHBondContact O-N 3.12Å; V7-F10 PolarHBondContact O-N 2.95Å; V7-I39 HydrophobicContact CG1-CD1 3.97Å; V7-I39 HydrophobicContact CG1-CG2 4.09Å; V7-I39 WeakPolarHBondContact O-CD1 3.16Å; V7-L182 HydrophobicContact CG2-CD1 4.44Å; V7-F184 HydrophobicContact CB-CE1 4.34Å; V7-F184 HydrophobicContact CG1-CE1 3.96Å; V7-F184 HydrophobicContact CG2-CD1 3.91Å; V7-F184 HydrophobicContact CG2-CE1 3.5Å; V7-F184 VanDerWaalsContact CG2-CE1 3.5Å; V7-F184 HydrophobicContact CG2-CZ 4.31Å
8Q76.9Confident77.4Confident107 Ų10766.1 Ų66.150%0.533%0.325SS..Hα-helixtrans-65.6-23.4174.6-68.1-60-45.300112.8T4 R5 L6 F10 A11T4-Q8 WeakPolarHBondContact O-CG 3.16Å; T4-Q8 PolarHBondContact O-N 3.04Å; R5-Q8 PolarHBondContact O-N 3.09Å; L6-Q8 VanDerWaalsContact C-N 3.33Å; Q8-F10 PolarHBondContact O-N 3.39Å; Q8-F10 VanDerWaalsContact O-N 3.13Å; Q8-A11 VanDerWaalsContact O-CB 3.27Å; Q8-A11 WeakPolarHBondContact O-CB 3.35Å; Q8-A11 PolarHBondContact O-N 3.07Å
9D86.4Confident78.5Confident108 Ų10862.6 Ų62.658%0.57831%0.308SS*.THydrogen-bonded Turntrans-64.7-15.9176-60.5-24.7000112.5R5 L6 V7R5-D9 PolarHBondContact O-N 3.19Å; L6-D9 WeakPolarHBondContact O-CB 3.14Å; L6-D9 PolarHBondContact O-N 3.35Å; V7-D9 PolarHBondContact O-N 3.12Å
10F91.1Very high79.4Confident9 Ų959.5 Ų59.54%0.03929%0.293CS..THydrogen-bonded Turntrans-91.71.4174.9-52.1-47.2000113.8V7 Q8 N12 K13 L36 I39 C41 V114 F116 Y152 L182 F184V7-F10 PolarHBondContact O-N 2.95Å; Q8-F10 PolarHBondContact O-N 3.39Å; Q8-F10 VanDerWaalsContact O-N 3.13Å; F10-N12 PolarHBondContact O-N 3.21Å; F10-K13 VanDerWaalsContact O-CB 3.32Å; F10-K13 WeakPolarHBondContact O-CB 3.35Å; F10-K13 PolarHBondContact O-N 3.45Å; F10-K13 VanDerWaalsContact O-N 3.15Å; F10-L36 HydrophobicContact CB-CD2 4.3Å; F10-L36 HydrophobicContact CD2-CD2 3.96Å; F10-L36 HydrophobicContact CG-CD2 4.45Å; F10-I39 HydrophobicContact CB-CD1 3.65Å; F10-C41 VanDerWaalsContact O-CB 3.27Å; F10-C41 WeakPolarHBondContact O-CB 3.44Å; F10-V114 HydrophobicContact CD1-CG1 4.38Å; F10-V114 HydrophobicContact CD1-CG2 3.82Å; F10-V114 HydrophobicContact CE1-CG1 4.02Å; F10-V114 HydrophobicContact CE1-CG2 4.03Å; F10-F116 HydrophobicContact CE2-CZ 4.09Å; F10-F116 HydrophobicContact CZ-CZ 4.07Å; F10-Y152 HydrophobicContact CE1-CE2 4.01Å; F10-Y152 HydrophobicContact CZ-CE2 4.04Å; F10-L182 HydrophobicContact CE2-CD1 3.93Å; F10-L182 HydrophobicContact CE2-CD2 3.71Å; F10-L182 HydrophobicContact CE2-CG 4.47Å; F10-L182 HydrophobicContact CZ-CD1 4.33Å; F10-L182 HydrophobicContact CZ-CD2 3.71Å; F10-F184 HydrophobicContact CD2-CZ 4.36Å; F10-F184 HydrophobicContact CE2-CZ 4.06Å
11A90.9Very high80.3Confident30 Ų3057 Ų5725%0.24828%0.281CS..THydrogen-bonded Turntrans-60.4134.517600000110.8Q8 K13Q8-A11 VanDerWaalsContact O-CB 3.27Å; Q8-A11 WeakPolarHBondContact O-CB 3.35Å; Q8-A11 PolarHBondContact O-N 3.07Å; A11-K13 PolarHBondContact O-N 3.17Å
12N92.4Very high83Confident135 Ų13550.9 Ų50.972%0.72225%0.25SS*.THydrogen-bonded Turntrans61.914.9-176.8-45.9-64.8000115F10 S40F10-N12 PolarHBondContact O-N 3.21Å; N12-S40 WeakPolarHBondContact CA-O 3.22Å; N12-S40 PolarHBondContact N-O 3.2Å
13K95.5Very high85.8Confident72 Ų7243.5 Ų43.531%0.31322%0.219SC..  trans-92.6148.8174.5-62.6-56.1-158.11640111.3F10 A11 C41 H42 D113F10-K13 VanDerWaalsContact O-CB 3.32Å; F10-K13 WeakPolarHBondContact O-CB 3.35Å; F10-K13 PolarHBondContact O-N 3.45Å; F10-K13 VanDerWaalsContact O-N 3.15Å; A11-K13 PolarHBondContact O-N 3.17Å; K13-C41 WeakPolarHBondContact O-CA 3.44Å; K13-H42 PolarHBondContact O-N 2.78Å; K13-D113 HydrophobicContact CB-CB 3.99Å; K13-D113 HydrophobicContact CD-CB 3.82Å; K13-D113 HydrophobicContact CG-CB 4.33Å; K13-D113 IonicContact NZ-OD1 3.82Å; K13-D113 PolarHBondContact NZ-OD1 3.36Å
14T97.3Very high88.2Confident25 Ų2542 Ų4215%0.15321%0.211CC..EExtended strand (participates in β ladder)trans-90.8114.6168.1-51.50000109.3H42 I44 I112 D113 V114T14-H42 CarbonylContact C-O 3.56Å; T14-H42 WeakPolarHBondContact CA-O 3.26Å; T14-H42 HydrophobicContact CG2-CB 4.49Å; T14-I44 HydrophobicContact CG2-CD1 3.9Å; T14-I44 HydrophobicContact CG2-CG1 4.46Å; T14-I112 HydrophobicContact CG2-CD1 3.62Å; T14-D113 PolarHBondContact N-OD2 3.26Å; T14-D113 PolarHBondContact O-N 3.44Å; T14-V114 PolarHBondContact O-N 3.29Å
15V97.8Very high90.4Very high0 Ų037.9 Ų37.90%019%0.185CC..EExtended strand (participates in β ladder)trans-104.4131.1-175.9-179.90000109.6L36 C41 H42 V43 I44 V114 F116V15-L36 HydrophobicContact CG1-CD1 3.95Å; V15-C41 HydrophobicContact CG2-CB 4.33Å; V15-H42 PolarHBondContact N-O 3.42Å; V15-V43 HydrophobicContact CB-CG2 4.45Å; V15-V43 WeakPolarHBondContact O-CA 3.18Å; V15-I44 PolarHBondContact O-N 3.08Å; V15-V114 CarbonylContact C-O 3.55Å; V15-V114 WeakPolarHBondContact CA-O 3.33Å; V15-V114 HydrophobicContact CG2-CB 4.25Å; V15-F116 HydrophobicContact CG1-CD2 3.39Å; V15-F116 HydrophobicContact CG1-CE2 3.54Å
16L98.6Very high92.5Very high0 Ų028.6 Ų28.60%015%0.15CC..EExtended strand (participates in β ladder)trans-106.7119.7171.9-178.965.5000110.3V18 I44 V46 I106 M107 I112 V114 V115 F116L16-V18 HydrophobicContact CD1-CG2 4.45Å; L16-V18 HydrophobicContact CD2-CG2 3.63Å; L16-V18 HydrophobicContact CG-CG2 3.68Å; L16-I44 CarbonylContact C-O 3.59Å; L16-I44 WeakPolarHBondContact CA-O 3.46Å; L16-I44 HydrophobicContact CD1-CB 4.19Å; L16-I44 HydrophobicContact CD1-CG2 3.97Å; L16-V46 HydrophobicContact CD1-CB 4.09Å; L16-V46 HydrophobicContact CD1-CG2 3.54Å; L16-I106 HydrophobicContact CD1-CG2 4.34Å; L16-I106 HydrophobicContact CD2-CG2 4.17Å; L16-M107 HydrophobicContact CD2-CG 3.95Å; L16-I112 HydrophobicContact CB-CB 4.43Å; L16-I112 HydrophobicContact CB-CD1 3.85Å; L16-I112 HydrophobicContact CB-CG1 3.98Å; L16-I112 HydrophobicContact CB-CG2 3.57Å; L16-I112 HydrophobicContact CD2-CG1 4.29Å; L16-V114 PolarHBondContact N-O 3.27Å; L16-V115 HydrophobicContact CB-CG2 4.4Å; L16-V115 CarbonylContact O-C 3.57Å; L16-V115 VanDerWaalsContact O-CA 3.31Å; L16-V115 WeakPolarHBondContact O-CA 3.33Å; L16-F116 PolarHBondContact O-N 3.28Å
17L98.8Very high94Very high3 Ų324.6 Ų24.62%0.01613%0.129CC..EExtended strand (participates in β ladder)trans-94.4121.2164173.560.9000109I19 E25 F29 L33 I44 V45 V46 F116L17-I19 HydrophobicContact CD1-CG2 4.06Å; L17-I19 HydrophobicContact CD2-CG2 4.2Å; L17-I19 HydrophobicContact CG-CG2 3.93Å; L17-E25 HydrophobicContact CD2-CB 4.48Å; L17-F29 HydrophobicContact CD1-CB 4.18Å; L17-F29 HydrophobicContact CD1-CD1 3.48Å; L17-F29 VanDerWaalsContact CD1-CD1 3.48Å; L17-F29 HydrophobicContact CD1-CD2 3.91Å; L17-F29 HydrophobicContact CD1-CE1 3.7Å; L17-F29 HydrophobicContact CD1-CE2 4.12Å; L17-F29 HydrophobicContact CD1-CG 3.59Å; L17-F29 HydrophobicContact CD1-CZ 4.03Å; L17-F29 HydrophobicContact CD2-CB 3.73Å; L17-F29 HydrophobicContact CD2-CD2 4.39Å; L17-F29 HydrophobicContact CD2-CG 4.01Å; L17-F29 HydrophobicContact CG-CG 4.46Å; L17-L33 HydrophobicContact CD2-CD1 3.98Å; L17-L33 HydrophobicContact CD2-CD2 3.86Å; L17-L33 HydrophobicContact CD2-CG 4.05Å; L17-I44 PolarHBondContact N-O 3.12Å; L17-V45 HydrophobicContact CB-CG2 4.27Å; L17-V45 HydrophobicContact CD2-CG1 4.46Å; L17-V45 HydrophobicContact CD2-CG2 4.21Å; L17-V45 WeakPolarHBondContact O-CA 3.32Å; L17-V46 PolarHBondContact O-N 3.28Å; L17-F116 WeakPolarHBondContact CA-O 3.38Å; L17-F116 HydrophobicContact CD1-CB 3.98Å
18V98.8Very high95.2Very high0 Ų024.6 Ų24.60%013%0.128CC..EExtended strand (participates in β ladder)trans-108.2117.8176-1720000110.1L16 V46 L48 L103 V115 F116 T117 I132 F136L16-V18 HydrophobicContact CD1-CG2 4.45Å; L16-V18 HydrophobicContact CD2-CG2 3.63Å; L16-V18 HydrophobicContact CG-CG2 3.68Å; V18-V46 WeakPolarHBondContact CA-O 3.27Å; V18-L48 HydrophobicContact CG1-CD1 4.17Å; V18-L48 HydrophobicContact CG1-CD2 4.39Å; V18-L48 HydrophobicContact CG1-CG 4.15Å; V18-L103 HydrophobicContact CG1-CD2 3.73Å; V18-L103 HydrophobicContact CG2-CD2 4.04Å; V18-V115 HydrophobicContact CG2-CG1 4.31Å; V18-F116 PolarHBondContact N-O 3.11Å; V18-T117 PolarHBondContact O-OG1 3.4Å; V18-I132 HydrophobicContact CB-CG2 4.29Å; V18-I132 HydrophobicContact CG1-CD1 4.24Å; V18-I132 HydrophobicContact CG1-CG1 4.47Å; V18-I132 HydrophobicContact CG1-CG2 3.77Å; V18-F136 HydrophobicContact CB-CE2 4.27Å; V18-F136 HydrophobicContact CG2-CE2 4.09Å; V18-F136 HydrophobicContact CG2-CZ 3.91Å
19I98.7Very high96.2Very high0 Ų019.5 Ų19.50%011%0.105CC..EExtended strand (participates in β ladder)trans-122.3162.7177.965.2-176.1000111.2L17 D24 E25 F29 V45 V46 C47 L48 L64L17-I19 HydrophobicContact CD1-CG2 4.06Å; L17-I19 HydrophobicContact CD2-CG2 4.2Å; L17-I19 HydrophobicContact CG-CG2 3.93Å; I19-D24 HydrophobicContact CB-CB 3.7Å; I19-D24 HydrophobicContact CD1-CB 4.22Å; I19-D24 HydrophobicContact CG1-CB 4.4Å; I19-D24 HydrophobicContact CG2-CB 3.9Å; I19-E25 HydrophobicContact CD1-CB 3.85Å; I19-F29 HydrophobicContact CG2-CD2 3.91Å; I19-F29 HydrophobicContact CG2-CE2 3.9Å; I19-V45 HydrophobicContact CD1-CG1 3.91Å; I19-V45 HydrophobicContact CG1-CG1 4.43Å; I19-V46 WeakPolarHBondContact CG1-O 3.19Å; I19-V46 PolarHBondContact N-O 3.38Å; I19-C47 HydrophobicContact CD1-CB 4.01Å; I19-C47 HydrophobicContact CG1-CB 3.76Å; I19-C47 WeakPolarHBondContact O-CA 3.34Å; I19-L48 PolarHBondContact O-N 3.42Å; I19-L64 HydrophobicContact CD1-CD1 4.3Å
20A97.7Very high96.8Very high0 Ų014.3 Ų14.30%08%0.077CC..SBendtrans-92.8-41.8179.300000111.8D24 T49 W94 N128 H129 I132A20-D24 PolarHBondContact N-OD2 3.4Å; A20-T49 WeakPolarHBondContact O-CB 3.43Å; A20-T49 WeakPolarHBondContact O-CG2 3.24Å; A20-T49 PolarHBondContact O-N 3.01Å; A20-T49 VanDerWaalsContact O-N 3.11Å; A20-T49 PolarHBondContact O-OG1 3.2Å; A20-W94 HydrophobicContact CB-CH2 3.67Å; A20-W94 HydrophobicContact CB-CZ3 4.34Å; A20-N128 HydrophobicContact CB-CB 3.82Å; A20-H129 VanDerWaalsContact CB-CD2 3.47Å; A20-H129 WeakPolarHBondContact CB-CD2 3.48Å; A20-I132 HydrophobicContact CB-CD1 3.9Å
21H97.3Very high97Very high9 Ų913.9 Ų13.94%0.0428%0.075CC..SBendtrans-126.6151.3-168-38.999.8000112.7D23 D24 D88 H126 N128 H129H21-D23 PolarHBondContact O-N 3.15Å; H21-D24 IonicContact CG-OD2 3.22Å; H21-D24 PolarHBondContact N-OD2 3.45Å; H21-D24 IonicContact ND1-OD1 2.67Å; H21-D24 PolarHBondContact ND1-OD1 3.31Å; H21-D24 IonicContact ND1-OD2 3.66Å; H21-D24 PolarHBondContact ND1-OD2 3.39Å; H21-D24 WeakPolarHBondContact O-CB 3.34Å; H21-D24 PolarHBondContact O-N 3.16Å; H21-D24 VanDerWaalsContact O-N 3.08Å; H21-D88 IonicContact CD2-OD1 3.05Å; H21-D88 PolarHBondContact CD2-OD1 2.92Å; H21-D88 IonicContact NE2-OD1 3.01Å; H21-H126 AromaticContact CE1-CE1 3.4Å; H21-H126 PolarHBondContact CE1-CE1 2.88Å; H21-H126 VanDerWaalsContact CE1-CE1 3.4Å; H21-H126 AromaticContact CE1-ND1 3.55Å; H21-H126 AromaticContact CE1-NE2 3.89Å; H21-H126 AromaticContact NE2-CE1 3.36Å; H21-H126 PolarHBondContact NE2-CE1 3.03Å; H21-H126 AromaticContact NE2-ND1 3.87Å; H21-H126 AromaticContact NE2-NE2 3.99Å; H21-N128 PolarHBondContact NE2-ND2 2.92Å; H21-H129 AromaticContact CE1-CD2 3.6Å; H21-H129 AromaticContact CE1-NE2 3.14Å; H21-H129 PolarHBondContact CE1-NE2 3.48Å; H21-H129 AromaticContact ND1-CD2 3.88Å; H21-H129 AromaticContact ND1-NE2 3.1Å; H21-H129 PolarHBondContact ND1-NE2 3.39Å
22P95.5Very high97.2Very high0 Ų012.6 Ų12.60%06%0.064CC..THydrogen-bonded Turntrans-52.3-16.6-177.7-36.739.5000118.8R60 L64 H201P22-R60 HydrophobicContact CB-CB 3.9Å; P22-R60 WeakPolarHBondContact CB-O 3.17Å; P22-R60 HydrophobicContact CG-CB 3.87Å; P22-L64 HydrophobicContact CB-CB 3.98Å; P22-L64 HydrophobicContact CB-CD2 4.44Å; P22-L64 WeakPolarHBondContact O-CB 3.47Å; P22-L64 WeakPolarHBondContact O-CD1 3.45Å; P22-H201 PolarHBondContact O-CE1 3.37Å; P22-H201 PolarHBondContact O-NE2 3.19Å; P22-H201 VanDerWaalsContact O-NE2 3.11Å
23D97Very high97.5Very high3 Ų36.3 Ų6.32%0.0163%0.031CC..THydrogen-bonded Turntrans-108.9-4-179.953.4-46.1000114.5H21 E25 C26 M27 R60 Q204 R209H21-D23 PolarHBondContact O-N 3.15Å; D23-E25 VanDerWaalsContact C-N 3.31Å; D23-E25 VanDerWaalsContact CA-OE2 3.3Å; D23-E25 WeakPolarHBondContact CA-OE2 3.31Å; D23-E25 PolarHBondContact O-N 3.33Å; D23-C26 PolarHBondContact O-SG 3.26Å; D23-C26 VanDerWaalsContact O-SG 3.36Å; D23-M27 WeakPolarHBondContact O-CB 3.43Å; D23-M27 WeakPolarHBondContact O-CG 3.27Å; D23-M27 PolarHBondContact O-N 3.42Å; D23-R60 IonicContact OD1-NH2 4Å; D23-R60 PolarHBondContact OD1-NH2 3.26Å; D23-Q204 HydrophobicContact CB-CG 4.21Å; D23-R209 IonicContact OD2-CZ 3.89Å; D23-R209 IonicContact OD2-NE 2.68Å; D23-R209 IonicContact OD2-NH2 2.68Å; D23-R209 PolarHBondContact OD2-NH2 3.17Å
24D98.3Very high97.5Very high3 Ų33 Ų32%0.0162%0.016CC..Hα-helixtrans-65-33.6-176.2-73.7-17000112.7I19 A20 H21 C26 F28 F118 H129I19-D24 HydrophobicContact CB-CB 3.7Å; I19-D24 HydrophobicContact CD1-CB 4.22Å; I19-D24 HydrophobicContact CG1-CB 4.4Å; I19-D24 HydrophobicContact CG2-CB 3.9Å; A20-D24 PolarHBondContact N-OD2 3.4Å; H21-D24 IonicContact CG-OD2 3.22Å; H21-D24 PolarHBondContact N-OD2 3.45Å; H21-D24 IonicContact ND1-OD1 2.67Å; H21-D24 PolarHBondContact ND1-OD1 3.31Å; H21-D24 IonicContact ND1-OD2 3.66Å; H21-D24 PolarHBondContact ND1-OD2 3.39Å; H21-D24 WeakPolarHBondContact O-CB 3.34Å; H21-D24 PolarHBondContact O-N 3.16Å; H21-D24 VanDerWaalsContact O-N 3.08Å; D24-C26 PolarHBondContact O-N 3.49Å; D24-F28 HydrophobicContact CB-CD2 3.94Å; D24-F28 HydrophobicContact CB-CE2 4.39Å; D24-F28 WeakPolarHBondContact O-CB 3.5Å; D24-F28 PolarHBondContact O-N 3.19Å; D24-F28 WeakPolarHBondContact OD1-CE2 3.37Å; D24-F118 HydrophobicContact CB-CZ 4.06Å; D24-H129 IonicContact OD1-CE1 2.75Å; D24-H129 IonicContact OD1-NE2 3.27Å; D24-H129 PolarHBondContact OD1-NE2 2.85Å; D24-H129 IonicContact OD2-CD2 2.94Å; D24-H129 IonicContact OD2-NE2 3.52Å; D24-H129 PolarHBondContact OD2-NE2 2.74Å
25E98.3Very high97.4Very high0 Ų02.8 Ų2.80%01%0.014CC..Hα-helixtrans-61-45-177.183.9-59.8161.300111.8L17 I19 D23 F29 A30 L33 L64 S67 L71 H201L17-E25 HydrophobicContact CD2-CB 4.48Å; I19-E25 HydrophobicContact CD1-CB 3.85Å; D23-E25 VanDerWaalsContact C-N 3.31Å; D23-E25 VanDerWaalsContact CA-OE2 3.3Å; D23-E25 WeakPolarHBondContact CA-OE2 3.31Å; D23-E25 PolarHBondContact O-N 3.33Å; E25-F29 CarbonylContact O-C 3.47Å; E25-F29 VanDerWaalsContact O-CA 3.3Å; E25-F29 WeakPolarHBondContact O-CA 3.46Å; E25-F29 WeakPolarHBondContact O-CB 3.41Å; E25-F29 PolarHBondContact O-N 2.89Å; E25-F29 VanDerWaalsContact O-N 3.09Å; E25-A30 PolarHBondContact O-N 2.68Å; E25-L33 HydrophobicContact CB-CD1 4.09Å; E25-L33 HydrophobicContact CG-CD1 4.46Å; E25-L64 HydrophobicContact CB-CD1 4.4Å; E25-L64 VanDerWaalsContact CD-CD1 3.47Å; E25-L64 HydrophobicContact CG-CD1 3.79Å; E25-S67 WeakPolarHBondContact OE1-CB 3.44Å; E25-S67 PolarHBondContact OE1-OG 3.13Å; E25-L71 HydrophobicContact CG-CD1 4.02Å; E25-H201 IonicContact OE1-CD2 3.85Å; E25-H201 IonicContact OE1-CE1 2.7Å; E25-H201 IonicContact OE1-NE2 3.86Å; E25-H201 PolarHBondContact OE1-NE2 3Å; E25-H201 IonicContact OE2-NE2 3.18Å
26C97.6Very high97.2Very high0 Ų02.9 Ų2.90%01%0.014CC..Hα-helixtrans-85.1-34-178.5680000111.3D23 D24 A30 L71 A197 M198 H201D23-C26 PolarHBondContact O-SG 3.26Å; D23-C26 VanDerWaalsContact O-SG 3.36Å; D24-C26 PolarHBondContact O-N 3.49Å; C26-A30 WeakPolarHBondContact O-CB 3.36Å; C26-L71 HydrophobicContact CB-CD1 4.2Å; C26-A197 HydrophobicContact CB-CB 3.76Å; C26-M198 VanDerWaalsContact SG-SD 3.61Å; C26-H201 VanDerWaalsContact SG-CD2 3.56Å
27M96.7Very high96.9Very high2 Ų29.6 Ų9.61%0.014%0.04CC..Hα-helixtrans-71.4-37.8-179.1-80.4-164.940.500113.5D23 M198 R209 Y212D23-M27 WeakPolarHBondContact O-CB 3.43Å; D23-M27 WeakPolarHBondContact O-CG 3.27Å; D23-M27 PolarHBondContact O-N 3.42Å; M27-M198 HydrophobicContact CG-SD 3.79Å; M27-M198 HydrophobicContact SD-SD 4.4Å; M27-R209 PolarHBondContact SD-NE 2.57Å; M27-R209 PolarHBondContact SD-NH1 3.48Å; M27-R209 VanDerWaalsContact SD-NH1 3.44Å; M27-R209 PolarHBondContact SD-NH2 2.85Å; M27-Y212 HydrophobicContact CB-CE1 3.98Å; M27-Y212 HydrophobicContact CE-CD1 4.01Å; M27-Y212 HydrophobicContact CE-CD2 4.28Å; M27-Y212 HydrophobicContact CE-CE1 3.74Å; M27-Y212 HydrophobicContact CE-CE2 4.02Å; M27-Y212 HydrophobicContact CE-CG 4.28Å; M27-Y212 HydrophobicContact CG-CE1 4.14Å; M27-Y212 VanDerWaalsContact O-CE1 3.31Å; M27-Y212 WeakPolarHBondContact O-CE1 3.37Å; M27-Y212 PolarHBondContact O-OH 3.15Å
28F97.9Very high96.5Very high10 Ų1016 Ų164%0.0446%0.064CC..Hα-helixtrans-118-26.5-169.6-54.5-54.9000113.1D24 F118 I123 H129 L154 Y212 N222D24-F28 HydrophobicContact CB-CD2 3.94Å; D24-F28 HydrophobicContact CB-CE2 4.39Å; D24-F28 WeakPolarHBondContact O-CB 3.5Å; D24-F28 PolarHBondContact O-N 3.19Å; D24-F28 WeakPolarHBondContact OD1-CE2 3.37Å; F28-F118 HydrophobicContact CB-CE1 4.39Å; F28-F118 AromaticContact CD2-CE1 3.75Å; F28-F118 HydrophobicContact CD2-CE1 3.75Å; F28-F118 HydrophobicContact CD2-CZ 4.11Å; F28-F118 HydrophobicContact CE2-CE1 4.32Å; F28-F118 HydrophobicContact CG-CE1 4.26Å; F28-I123 HydrophobicContact CB-CD1 3.65Å; F28-I123 HydrophobicContact CD1-CD1 3.19Å; F28-I123 HydrophobicContact CD1-CG1 4.47Å; F28-I123 HydrophobicContact CD1-CG2 4.2Å; F28-I123 HydrophobicContact CD2-CD1 3.84Å; F28-I123 HydrophobicContact CE1-CB 4.38Å; F28-I123 HydrophobicContact CE1-CD1 3.68Å; F28-I123 HydrophobicContact CE1-CG2 3.8Å; F28-I123 HydrophobicContact CE2-CD1 4.25Å; F28-I123 HydrophobicContact CG-CD1 3.28Å; F28-I123 HydrophobicContact CZ-CD1 4.16Å; F28-I123 HydrophobicContact CZ-CG2 4.45Å; F28-H129 AromaticContact CE2-CE1 3.91Å; F28-L154 HydrophobicContact CB-CD2 4.01Å; F28-Y212 WeakPolarHBondContact CD1-OH 3.37Å; F28-Y212 HydrophobicContact CE1-CE2 4.12Å; F28-Y212 AromaticContact CE1-CZ 3.83Å; F28-Y212 WeakPolarHBondContact CE1-OH 3.17Å; F28-N222 VanDerWaalsContact O-CG 3.3Å; F28-N222 PolarHBondContact O-ND2 3.14Å; F28-N222 PolarHBondContact O-OD1 3.14Å
29F98.4Very high96.1Very high0 Ų016.8 Ų16.80%07%0.068CC..SBendtrans-121.76.9-170.2-63-84.8000114.4L17 I19 E25 T32 L33 F118 L154 N222 F224L17-F29 HydrophobicContact CD1-CB 4.18Å; L17-F29 HydrophobicContact CD1-CD1 3.48Å; L17-F29 VanDerWaalsContact CD1-CD1 3.48Å; L17-F29 HydrophobicContact CD1-CD2 3.91Å; L17-F29 HydrophobicContact CD1-CE1 3.7Å; L17-F29 HydrophobicContact CD1-CE2 4.12Å; L17-F29 HydrophobicContact CD1-CG 3.59Å; L17-F29 HydrophobicContact CD1-CZ 4.03Å; L17-F29 HydrophobicContact CD2-CB 3.73Å; L17-F29 HydrophobicContact CD2-CD2 4.39Å; L17-F29 HydrophobicContact CD2-CG 4.01Å; L17-F29 HydrophobicContact CG-CG 4.46Å; I19-F29 HydrophobicContact CG2-CD2 3.91Å; I19-F29 HydrophobicContact CG2-CE2 3.9Å; E25-F29 CarbonylContact O-C 3.47Å; E25-F29 VanDerWaalsContact O-CA 3.3Å; E25-F29 WeakPolarHBondContact O-CA 3.46Å; E25-F29 WeakPolarHBondContact O-CB 3.41Å; E25-F29 PolarHBondContact O-N 2.89Å; E25-F29 VanDerWaalsContact O-N 3.09Å; F29-T32 WeakPolarHBondContact O-CA 3.4Å; F29-T32 VanDerWaalsContact O-CB 3.29Å; F29-T32 WeakPolarHBondContact O-CB 3.3Å; F29-T32 PolarHBondContact O-N 2.97Å; F29-L33 PolarHBondContact O-N 3.37Å; F29-F118 HydrophobicContact CE2-CD1 4.15Å; F29-F118 AromaticContact CE2-CE1 3.59Å; F29-F118 HydrophobicContact CE2-CE1 3.59Å; F29-F118 HydrophobicContact CE2-CE2 4.33Å; F29-F118 AromaticContact CE2-CZ 3.71Å; F29-F118 HydrophobicContact CE2-CZ 3.71Å; F29-F118 HydrophobicContact CZ-CD1 4.06Å; F29-F118 AromaticContact CZ-CE1 3.99Å; F29-F118 HydrophobicContact CZ-CE1 3.99Å; F29-F118 HydrophobicContact CZ-CG 4.47Å; F29-F118 HydrophobicContact CZ-CZ 4.33Å; F29-L154 HydrophobicContact CD1-CD2 4.32Å; F29-L154 HydrophobicContact CE1-CB 3.93Å; F29-L154 HydrophobicContact CE1-CD2 3.81Å; F29-L154 HydrophobicContact CE1-CG 4.43Å; F29-L154 HydrophobicContact CE2-CD2 4.33Å; F29-L154 HydrophobicContact CZ-CB 4.15Å; F29-L154 HydrophobicContact CZ-CD2 3.81Å; F29-N222 WeakPolarHBondContact CA-OD1 3.39Å; F29-F224 HydrophobicContact CD1-CE1 4.36Å; F29-F224 AromaticContact CD1-CZ 3.93Å; F29-F224 HydrophobicContact CD1-CZ 3.93Å; F29-F224 AromaticContact CE1-CE1 3.89Å; F29-F224 HydrophobicContact CE1-CE1 3.89Å; F29-F224 AromaticContact CE1-CZ 3.9Å; F29-F224 HydrophobicContact CE1-CZ 3.9Å
30A97.7Very high95.5Very high0 Ų021.2 Ų21.20%010%0.099CC..Hα-helixtrans-57.1-43.7179.900000112.8E25 C26 T32 L33 L34 L71 S194E25-A30 PolarHBondContact O-N 2.68Å; C26-A30 WeakPolarHBondContact O-CB 3.36Å; A30-T32 VanDerWaalsContact C-N 3.27Å; A30-T32 PolarHBondContact O-N 3.26Å; A30-L33 PolarHBondContact O-N 2.81Å; A30-L34 WeakPolarHBondContact O-CB 3.09Å; A30-L34 VanDerWaalsContact O-CG 3.26Å; A30-L34 WeakPolarHBondContact O-CG 3.31Å; A30-L34 PolarHBondContact O-N 2.82Å; A30-L71 HydrophobicContact CB-CD2 4.21Å; A30-S194 VanDerWaalsContact CB-OG 3.22Å; A30-S194 WeakPolarHBondContact CB-OG 3.48Å
31P95.5Very high95.3Very high0 Ų022.2 Ų22.20%011%0.106CC..Hα-helixtrans-58.5-37.5172.8-19.526.2000114.5N35 F184 N186 Y218 N222P31-N35 WeakPolarHBondContact O-CB 3.2Å; P31-N35 PolarHBondContact O-N 3.29Å; P31-N35 PolarHBondContact O-ND2 3.29Å; P31-F184 HydrophobicContact CB-CB 4.25Å; P31-N186 VanDerWaalsContact CA-OD1 3.24Å; P31-N186 WeakPolarHBondContact CA-OD1 3.31Å; P31-N186 WeakPolarHBondContact CG-ND2 3.47Å; P31-Y218 WeakPolarHBondContact CD-O 3.47Å; P31-Y218 WeakPolarHBondContact CG-O 3.41Å; P31-N222 HydrophobicContact CB-CB 4.42Å; P31-N222 WeakPolarHBondContact CD-OD1 3.44Å
32T96.5Very high95.3Very high2 Ų225.7 Ų25.71%0.01212%0.122CC..Hα-helixtrans-63.7-54.6176.1-56.30000110.5F29 A30 L34 N35 L36 F116 F184 N222 F224F29-T32 WeakPolarHBondContact O-CA 3.4Å; F29-T32 VanDerWaalsContact O-CB 3.29Å; F29-T32 WeakPolarHBondContact O-CB 3.3Å; F29-T32 PolarHBondContact O-N 2.97Å; A30-T32 VanDerWaalsContact C-N 3.27Å; A30-T32 PolarHBondContact O-N 3.26Å; T32-L34 PolarHBondContact O-N 2.9Å; T32-N35 PolarHBondContact O-N 2.87Å; T32-L36 HydrophobicContact CG2-CD1 3.77Å; T32-L36 HydrophobicContact CG2-CG 4.38Å; T32-L36 WeakPolarHBondContact O-CB 3.49Å; T32-L36 VanDerWaalsContact O-CG 3.26Å; T32-L36 WeakPolarHBondContact O-CG 3.28Å; T32-L36 PolarHBondContact O-N 3.04Å; T32-F116 HydrophobicContact CG2-CD1 4.48Å; T32-F116 HydrophobicContact CG2-CD2 4.35Å; T32-F116 HydrophobicContact CG2-CG 4.29Å; T32-F184 HydrophobicContact CG2-CD2 4Å; T32-F184 HydrophobicContact CG2-CE2 3.8Å; T32-F184 HydrophobicContact CG2-CZ 4.36Å; T32-N222 PolarHBondContact N-OD1 3.25Å; T32-N222 WeakPolarHBondContact OG1-CB 3.29Å; T32-N222 PolarHBondContact OG1-OD1 3.38Å; T32-F224 HydrophobicContact CG2-CE2 4.4Å; T32-F224 HydrophobicContact CG2-CZ 4.3Å; T32-F224 WeakPolarHBondContact OG1-CE2 3.21Å; T32-F224 VanDerWaalsContact OG1-CZ 3.32Å; T32-F224 WeakPolarHBondContact OG1-CZ 3.37Å
33L97.4Very high95.4Very high4 Ų426.5 Ų26.52%0.02113%0.126CC..Hα-helixtrans-61.1-44.9-177.7-67.9174.3000112.3L17 E25 F29 A30 N35 L36 R37 V43 V45 L71 V73L17-L33 HydrophobicContact CD2-CD1 3.98Å; L17-L33 HydrophobicContact CD2-CD2 3.86Å; L17-L33 HydrophobicContact CD2-CG 4.05Å; E25-L33 HydrophobicContact CB-CD1 4.09Å; E25-L33 HydrophobicContact CG-CD1 4.46Å; F29-L33 PolarHBondContact O-N 3.37Å; A30-L33 PolarHBondContact O-N 2.81Å; L33-N35 PolarHBondContact O-N 2.99Å; L33-L36 PolarHBondContact O-N 3.21Å; L33-R37 WeakPolarHBondContact O-CB 3.46Å; L33-R37 PolarHBondContact O-N 2.73Å; L33-V43 HydrophobicContact CD2-CG1 3.69Å; L33-V45 HydrophobicContact CD2-CG2 4.2Å; L33-L71 HydrophobicContact CB-CB 4.31Å; L33-L71 HydrophobicContact CD1-CB 4.29Å; L33-L71 HydrophobicContact CD1-CD1 3.66Å; L33-V73 HydrophobicContact CD2-CG2 4.04Å
34L95.8Very high95.4Very high3 Ų326.4 Ų26.42%0.01613%0.126CC..Hα-helixtrans-68.4-32.6-178.4-68176.8000113.3A30 T32 L71 D190 L193A30-L34 WeakPolarHBondContact O-CB 3.09Å; A30-L34 VanDerWaalsContact O-CG 3.26Å; A30-L34 WeakPolarHBondContact O-CG 3.31Å; A30-L34 PolarHBondContact O-N 2.82Å; T32-L34 PolarHBondContact O-N 2.9Å; L34-L71 HydrophobicContact CD1-CD2 4.28Å; L34-L71 HydrophobicContact CD2-CD2 3.85Å; L34-L71 HydrophobicContact CG-CD2 3.98Å; L34-D190 HydrophobicContact CD1-CB 3.71Å; L34-D190 WeakPolarHBondContact CD1-O 3.47Å; L34-L193 HydrophobicContact CD1-CB 4.31Å; L34-L193 HydrophobicContact CD1-CD2 4.31Å; L34-L193 HydrophobicContact CD1-CG 4.45Å; L34-L193 HydrophobicContact CD2-CD2 3.45Å; L34-L193 VanDerWaalsContact CD2-CD2 3.45Å; L34-L193 HydrophobicContact CD2-CG 4.15Å
35N94.3Very high95.5Very high20 Ų2026.3 Ų26.311%0.10713%0.125CC..Hα-helixtrans-79.2-37.9175.3-79.9-77.4000112.4P31 T32 L33 R37 R38 F184 I185P31-N35 WeakPolarHBondContact O-CB 3.2Å; P31-N35 PolarHBondContact O-N 3.29Å; P31-N35 PolarHBondContact O-ND2 3.29Å; T32-N35 PolarHBondContact O-N 2.87Å; L33-N35 PolarHBondContact O-N 2.99Å; N35-R37 VanDerWaalsContact C-N 3.33Å; N35-R38 WeakPolarHBondContact O-CB 3.45Å; N35-R38 PolarHBondContact O-N 2.8Å; N35-R38 PolarHBondContact OD1-NH1 2.92Å; N35-F184 HydrophobicContact CB-CB 4.46Å; N35-F184 HydrophobicContact CB-CD1 3.41Å; N35-F184 VanDerWaalsContact CB-CD1 3.41Å; N35-F184 HydrophobicContact CB-CE1 4Å; N35-F184 HydrophobicContact CB-CG 4.31Å; N35-I185 PolarHBondContact ND2-O 3.33Å
36L94.6Very high95.5Very high1 Ų126.3 Ų26.31%0.00513%0.125CC..Hα-helixtrans-64-37.4173.7-73.5178.8000111.7F10 V15 T32 L33 R38 I39 C41 V43 F116 F184F10-L36 HydrophobicContact CB-CD2 4.3Å; F10-L36 HydrophobicContact CD2-CD2 3.96Å; F10-L36 HydrophobicContact CG-CD2 4.45Å; V15-L36 HydrophobicContact CG1-CD1 3.95Å; T32-L36 HydrophobicContact CG2-CD1 3.77Å; T32-L36 HydrophobicContact CG2-CG 4.38Å; T32-L36 WeakPolarHBondContact O-CB 3.49Å; T32-L36 VanDerWaalsContact O-CG 3.26Å; T32-L36 WeakPolarHBondContact O-CG 3.28Å; T32-L36 PolarHBondContact O-N 3.04Å; L33-L36 PolarHBondContact O-N 3.21Å; L36-R38 PolarHBondContact O-N 2.75Å; L36-I39 HydrophobicContact CD2-CD1 3.8Å; L36-I39 WeakPolarHBondContact O-CG1 3.46Å; L36-I39 PolarHBondContact O-N 2.94Å; L36-I39 VanDerWaalsContact O-O 3.11Å; L36-C41 PolarHBondContact O-SG 3.13Å; L36-V43 HydrophobicContact CB-CG2 3.96Å; L36-V43 HydrophobicContact CD1-CG2 4.22Å; L36-F116 HydrophobicContact CD1-CD2 4.37Å; L36-F116 HydrophobicContact CD1-CE2 4.06Å; L36-F184 HydrophobicContact CD2-CE1 4.15Å; L36-F184 HydrophobicContact CD2-CZ 3.95Å; L36-F184 HydrophobicContact CG-CE1 4.26Å; L36-F184 HydrophobicContact CG-CZ 4.14Å
37R92Very high95.5Very high141 Ų14126.3 Ų26.353%0.53213%0.125SC..THydrogen-bonded Turntrans-53.4-28173.9178.2-173.1172.1175-1.3114L33 N35 I39 L70L33-R37 WeakPolarHBondContact O-CB 3.46Å; L33-R37 PolarHBondContact O-N 2.73Å; N35-R37 VanDerWaalsContact C-N 3.33Å; R37-I39 VanDerWaalsContact C-N 3.33Å; R37-L70 PolarHBondContact NH1-O 3.14Å
38R90.8Very high95.6Very high138 Ų13826.2 Ų26.252%0.52113%0.125SC..THydrogen-bonded Turntrans-81.1-14-176.6-65.7171.3169.7123.19.9113.7N35 L36 D190N35-R38 WeakPolarHBondContact O-CB 3.45Å; N35-R38 PolarHBondContact O-N 2.8Å; N35-R38 PolarHBondContact OD1-NH1 2.92Å; L36-R38 PolarHBondContact O-N 2.75Å; R38-D190 IonicContact CZ-OD1 3.75Å; R38-D190 IonicContact CZ-OD2 2.9Å; R38-D190 VanDerWaalsContact CZ-OD2 3.27Å; R38-D190 IonicContact NH1-OD1 3.74Å; R38-D190 IonicContact NH1-OD2 3.41Å; R38-D190 PolarHBondContact NH1-OD2 3.26Å; R38-D190 IonicContact NH2-OD1 2.66Å; R38-D190 PolarHBondContact NH2-OD1 3.17Å; R38-D190 IonicContact NH2-OD2 3.89Å; R38-D190 PolarHBondContact NH2-OD2 2.75Å
39I89.9Confident95.5Very high17 Ų1725.9 Ų25.99%0.08712%0.124CC..THydrogen-bonded Turntrans-108.2157.7177.359169000108.6V7 F10 L36 R37 C41V7-I39 HydrophobicContact CG1-CD1 3.97Å; V7-I39 HydrophobicContact CG1-CG2 4.09Å; V7-I39 WeakPolarHBondContact O-CD1 3.16Å; F10-I39 HydrophobicContact CB-CD1 3.65Å; L36-I39 HydrophobicContact CD2-CD1 3.8Å; L36-I39 WeakPolarHBondContact O-CG1 3.46Å; L36-I39 PolarHBondContact O-N 2.94Å; L36-I39 VanDerWaalsContact O-O 3.11Å; R37-I39 VanDerWaalsContact C-N 3.33Å; I39-C41 HydrophobicContact CD1-CB 3.99Å; I39-C41 HydrophobicContact CG1-CB 4.02Å; I39-C41 PolarHBondContact O-N 2.67Å
40S87.3Confident95.2Very high93 Ų9326 Ų2665%0.6512%0.124SC*.THydrogen-bonded Turntrans-73.149.1178.1-55.70000112.2N12N12-S40 WeakPolarHBondContact CA-O 3.22Å; N12-S40 PolarHBondContact N-O 3.2Å
41C92.4Very high94.9Very high21 Ų2126 Ų2614%0.14213%0.125CC..  trans-98.7147.4174.171.80000110.8F10 K13 V15 L36 I39 V43F10-C41 VanDerWaalsContact O-CB 3.27Å; F10-C41 WeakPolarHBondContact O-CB 3.44Å; K13-C41 WeakPolarHBondContact O-CA 3.44Å; V15-C41 HydrophobicContact CG2-CB 4.33Å; L36-C41 PolarHBondContact O-SG 3.13Å; I39-C41 HydrophobicContact CD1-CB 3.99Å; I39-C41 HydrophobicContact CG1-CB 4.02Å; I39-C41 PolarHBondContact O-N 2.67Å; C41-V43 VanDerWaalsContact SG-CG2 3.58Å
42H96.5Very high94.5Very high82 Ų8227.3 Ų27.338%0.3814%0.139SC..EExtended strand (participates in β ladder)trans-94.9113.2174.6179-151.1000108.8K13 T14 V15 D77K13-H42 PolarHBondContact O-N 2.78Å; T14-H42 CarbonylContact C-O 3.56Å; T14-H42 WeakPolarHBondContact CA-O 3.26Å; T14-H42 HydrophobicContact CG2-CB 4.49Å; V15-H42 PolarHBondContact N-O 3.42Å; H42-D77 IonicContact CD2-OD2 3.65Å; H42-D77 PolarHBondContact CD2-OD2 3.01Å; H42-D77 IonicContact CE1-OD1 3.33Å; H42-D77 PolarHBondContact CE1-OD1 2.97Å; H42-D77 IonicContact CE1-OD2 2.91Å; H42-D77 IonicContact NE2-OD1 2.89Å; H42-D77 PolarHBondContact NE2-OD1 3.28Å; H42-D77 IonicContact NE2-OD2 3.38Å; H42-D77 PolarHBondContact NE2-OD2 2.73Å
43V98.1Very high94Very high16 Ų1631.1 Ų31.110%0.09715%0.153CC..EExtended strand (participates in β ladder)trans-103.8125.9-176.1-176.60000110.2V15 L33 L36 C41 V73V15-V43 HydrophobicContact CB-CG2 4.45Å; V15-V43 WeakPolarHBondContact O-CA 3.18Å; L33-V43 HydrophobicContact CD2-CG1 3.69Å; L36-V43 HydrophobicContact CB-CG2 3.96Å; L36-V43 HydrophobicContact CD1-CG2 4.22Å; C41-V43 VanDerWaalsContact SG-CG2 3.58Å; V43-V73 HydrophobicContact CB-CG2 4.41Å; V43-V73 HydrophobicContact CG1-CG2 4.1Å
44I98.5Very high93.5Very high2 Ų239 Ų391%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-113.2131.3173.8-57.8176.8000108.2T14 V15 L16 L17 D77 L79 R110 I112T14-I44 HydrophobicContact CG2-CD1 3.9Å; T14-I44 HydrophobicContact CG2-CG1 4.46Å; V15-I44 PolarHBondContact O-N 3.08Å; L16-I44 CarbonylContact C-O 3.59Å; L16-I44 WeakPolarHBondContact CA-O 3.46Å; L16-I44 HydrophobicContact CD1-CB 4.19Å; L16-I44 HydrophobicContact CD1-CG2 3.97Å; L17-I44 PolarHBondContact N-O 3.12Å; I44-D77 CarbonylContact C-O 3.59Å; I44-D77 WeakPolarHBondContact CA-O 3.38Å; I44-D77 HydrophobicContact CG1-CB 4.27Å; I44-D77 WeakPolarHBondContact CG2-O 3.47Å; I44-L79 HydrophobicContact CG2-CD1 4.21Å; I44-L79 HydrophobicContact CG2-CG 4.44Å; I44-R110 HydrophobicContact CD1-CB 3.88Å; I44-R110 HydrophobicContact CD1-CG 4.01Å; I44-I112 HydrophobicContact CD1-CD1 4.02Å
45V98.8Very high93.2Very high0 Ų042.2 Ų42.20%020%0.202CC..EExtended strand (participates in β ladder)trans-108.8121.9175.7179.60000108.7L17 I19 L33 V73 D77 V78 L79L17-V45 HydrophobicContact CB-CG2 4.27Å; L17-V45 HydrophobicContact CD2-CG1 4.46Å; L17-V45 HydrophobicContact CD2-CG2 4.21Å; L17-V45 WeakPolarHBondContact O-CA 3.32Å; I19-V45 HydrophobicContact CD1-CG1 3.91Å; I19-V45 HydrophobicContact CG1-CG1 4.43Å; L33-V45 HydrophobicContact CD2-CG2 4.2Å; V45-V73 HydrophobicContact CG2-CB 4.44Å; V45-V73 HydrophobicContact CG2-CG1 3.99Å; V45-V73 HydrophobicContact CG2-CG2 3.95Å; V45-D77 PolarHBondContact N-O 2.68Å; V45-V78 WeakPolarHBondContact O-CA 3.2Å; V45-L79 PolarHBondContact O-N 3.39Å
46V98.6Very high93Very high0 Ų043.6 Ų43.60%021%0.214CC..EExtended strand (participates in β ladder)trans-109.5118.5171.9168.40000109.2L16 L17 V18 I19 L48 L79 I106L16-V46 HydrophobicContact CD1-CB 4.09Å; L16-V46 HydrophobicContact CD1-CG2 3.54Å; L17-V46 PolarHBondContact O-N 3.28Å; V18-V46 WeakPolarHBondContact CA-O 3.27Å; I19-V46 WeakPolarHBondContact CG1-O 3.19Å; I19-V46 PolarHBondContact N-O 3.38Å; V46-L48 HydrophobicContact CG1-CD2 3.54Å; V46-L48 HydrophobicContact CG1-CG 4.48Å; V46-L79 CarbonylContact C-O 3.57Å; V46-L79 VanDerWaalsContact CA-O 3.32Å; V46-L79 WeakPolarHBondContact CA-O 3.26Å; V46-L79 HydrophobicContact CG2-CB 3.81Å; V46-L79 HydrophobicContact CG2-CD1 3.84Å; V46-L79 HydrophobicContact CG2-CG 4.3Å; V46-I106 HydrophobicContact CG1-CD1 3.96Å; V46-I106 HydrophobicContact CG2-CD1 4.06Å; V46-I106 HydrophobicContact CG2-CG2 4.09Å
47C98.5Very high93Very high0 Ų047.3 Ų47.30%023%0.228CC..EExtended strand (participates in β ladder)trans-102.9117.8170.3-171.80000109.4I19 T49 L64 L79 I80 L81I19-C47 HydrophobicContact CD1-CB 4.01Å; I19-C47 HydrophobicContact CG1-CB 3.76Å; I19-C47 WeakPolarHBondContact O-CA 3.34Å; C47-T49 PolarHBondContact O-N 2.97Å; C47-T49 PolarHBondContact SG-O 2.79Å; C47-L64 HydrophobicContact CB-CD2 3.51Å; C47-L79 PolarHBondContact N-O 3.21Å; C47-I80 HydrophobicContact CB-CG2 4.34Å; C47-L81 PolarHBondContact O-N 2.66Å
48L97.8Very high93.1Very high0 Ų046.5 Ų46.50%023%0.23CC..SBendtrans-75.5-9.5-173.2-61.5-170.2000114.3V18 I19 V46 L81 W94 V99 L102 L103 I132V18-L48 HydrophobicContact CG1-CD1 4.17Å; V18-L48 HydrophobicContact CG1-CD2 4.39Å; V18-L48 HydrophobicContact CG1-CG 4.15Å; I19-L48 PolarHBondContact O-N 3.42Å; V46-L48 HydrophobicContact CG1-CD2 3.54Å; V46-L48 HydrophobicContact CG1-CG 4.48Å; L48-L81 HydrophobicContact CD2-CD1 3.54Å; L48-L81 HydrophobicContact CD2-CG 4.48Å; L48-W94 HydrophobicContact CB-CH2 3.82Å; L48-W94 HydrophobicContact CB-CZ3 3.89Å; L48-W94 HydrophobicContact CD1-CE3 4.33Å; L48-W94 HydrophobicContact CD1-CH2 4.46Å; L48-W94 HydrophobicContact CD1-CZ3 3.71Å; L48-W94 HydrophobicContact CG-CZ3 4.41Å; L48-V99 HydrophobicContact CD1-CG1 3.99Å; L48-L102 HydrophobicContact CD2-CD2 4.01Å; L48-L103 HydrophobicContact CD2-CD2 4.38Å; L48-I132 HydrophobicContact CD1-CD1 4.01Å; L48-I132 HydrophobicContact CD1-CG1 3.64Å
49T96.5Very high93.4Very high3 Ų343.1 Ų43.12%0.01822%0.224CC..  trans-128.8152.7171.573.40000111.6A20 C47 G51 I80 L81 F86 D88 W94A20-T49 WeakPolarHBondContact O-CB 3.43Å; A20-T49 WeakPolarHBondContact O-CG2 3.24Å; A20-T49 PolarHBondContact O-N 3.01Å; A20-T49 VanDerWaalsContact O-N 3.11Å; A20-T49 PolarHBondContact O-OG1 3.2Å; C47-T49 PolarHBondContact O-N 2.97Å; C47-T49 PolarHBondContact SG-O 2.79Å; T49-G51 PolarHBondContact O-N 2.9Å; T49-G51 PolarHBondContact OG1-N 3.21Å; T49-I80 WeakPolarHBondContact O-CG2 3.26Å; T49-L81 CarbonylContact C-O 3.17Å; T49-L81 WeakPolarHBondContact CA-O 3.39Å; T49-F86 WeakPolarHBondContact CG2-O 3.19Å; T49-D88 HydrophobicContact CG2-CB 4.19Å; T49-W94 HydrophobicContact CG2-CH2 3.83Å; T49-W94 HydrophobicContact CG2-CZ2 3.32Å
50S92.9Very high93.7Very high2 Ų242.6 Ų42.61%0.01422%0.221CC..  trans-82.211.7167.156.50000111.9R57 L81 D82S50-R57 WeakPolarHBondContact O-CA 3.34Å; S50-R57 WeakPolarHBondContact OG-CD 3.45Å; S50-L81 PolarHBondContact N-O 3.11Å; S50-D82 PolarHBondContact OG-OD1 3.41Å
51G90.6Very high94.2Very high1 Ų139.8 Ų39.81%0.0120%0.198CC..  trans71.3-135.8-164.300000111.4T49 D88T49-G51 PolarHBondContact O-N 2.9Å; T49-G51 PolarHBondContact OG1-N 3.21Å; G51-D88 WeakPolarHBondContact CA-OD2 3.41Å; G51-D88 WeakPolarHBondContact O-CB 3.27Å
52G87.3Confident94.5Very high28 Ų2843.4 Ų43.429%0.28922%0.215SC..  trans102.6-14.5179.100000114.8K54 H55G52-K54 PolarHBondContact O-N 2.78Å; G52-H55 CarbonylContact C-O 3.45Å; G52-H55 WeakPolarHBondContact CA-O 3.2Å
53Y86.5Confident94.6Very high82 Ų8240.4 Ų40.432%0.32220%0.201SC..SBendtrans-72.9112.3170.8-168.3-111.2000110H55 D88 H89 P90Y53-H55 PolarHBondContact O-CD2 3.18Å; Y53-H55 VanDerWaalsContact O-CD2 3.28Å; Y53-H55 PolarHBondContact O-N 3.02Å; Y53-D88 WeakPolarHBondContact CB-O 3.41Å; Y53-D88 WeakPolarHBondContact CB-OD2 3.33Å; Y53-D88 PolarHBondContact N-OD2 2.82Å; Y53-H89 AromaticContact CD2-CD2 3.76Å; Y53-H89 AromaticContact CE2-CD2 3.51Å; Y53-H89 AromaticContact CE2-NE2 3.64Å; Y53-P90 HydrophobicContact CE1-CG 4.14Å; Y53-P90 HydrophobicContact CE2-CG 4.45Å
54K87Confident94.6Very high168 Ų16839.6 Ų39.673%0.7320%0.196SC*.SBendtrans64.1-8.9180-58.5175.5175.5173.60116.9G52G52-K54 PolarHBondContact O-N 2.78Å
55H87.9Confident94.6Very high71 Ų7142.9 Ų42.933%0.32921%0.208SC..SBendtrans-134.9158.6-175.9-57.1-78.3000110.8G52 Y53 R60 S203 Q204G52-H55 CarbonylContact C-O 3.45Å; G52-H55 WeakPolarHBondContact CA-O 3.2Å; Y53-H55 PolarHBondContact O-CD2 3.18Å; Y53-H55 VanDerWaalsContact O-CD2 3.28Å; Y53-H55 PolarHBondContact O-N 3.02Å; H55-R60 HydrophobicContact CB-CG 4.35Å; H55-S203 PolarHBondContact CE1-O 3.18Å; H55-S203 PolarHBondContact ND1-O 3.4Å; H55-Q204 PolarHBondContact CD2-NE2 3.35Å; H55-Q204 PolarHBondContact NE2-NE2 3.3Å
56S91.6Very high94.6Very high50 Ų5046.6 Ų46.635%0.3523%0.228SC..  trans-64.4136.2178.5152.20000111.6E58 V59 R60S56-E58 VanDerWaalsContact C-N 3.33Å; S56-E58 PolarHBondContact OG-N 3.31Å; S56-E58 PolarHBondContact OG-OE2 2.89Å; S56-V59 PolarHBondContact OG-N 3.34Å; S56-V59 VanDerWaalsContact OG-N 3.14Å; S56-R60 WeakPolarHBondContact O-CG 3.47Å; S56-R60 PolarHBondContact O-N 3.39Å; S56-R60 VanDerWaalsContact O-N 3.17Å
57R93.6Very high94.6Very high79 Ų7946.6 Ų46.630%0.29823%0.228SC..Hα-helixtrans-65.1-40.1175.5-69.1178-175.8-135.10.3111.1S50 Q61 D82S50-R57 WeakPolarHBondContact O-CA 3.34Å; S50-R57 WeakPolarHBondContact OG-CD 3.45Å; R57-Q61 WeakPolarHBondContact O-CB 3.44Å; R57-Q61 WeakPolarHBondContact O-CG 3.35Å; R57-Q61 PolarHBondContact O-N 2.8Å; R57-Q61 PolarHBondContact O-NE2 3.16Å; R57-Q61 VanDerWaalsContact O-NE2 3.14Å; R57-D82 IonicContact CZ-OD1 3.74Å; R57-D82 IonicContact NH1-OD1 3.5Å; R57-D82 PolarHBondContact NH1-OD1 3.15Å
58E95.2Very high94.6Very high124 Ų12446.6 Ų46.658%0.57923%0.228SC*.Hα-helixtrans-63.5-46.5-179.3-56.974.1-16100110.6S56 Q61 I62S56-E58 VanDerWaalsContact C-N 3.33Å; S56-E58 PolarHBondContact OG-N 3.31Å; S56-E58 PolarHBondContact OG-OE2 2.89Å; E58-Q61 PolarHBondContact O-N 3.1Å; E58-I62 WeakPolarHBondContact O-CG1 3.19Å; E58-I62 PolarHBondContact O-N 3.21Å
59V96.5Very high94.6Very high66 Ų6655 Ų5540%0.426%0.26SS..Hα-helixtrans-59.7-54.7176.7172.50000110S56 Q61 I62 E63S56-V59 PolarHBondContact OG-N 3.34Å; S56-V59 VanDerWaalsContact OG-N 3.14Å; V59-Q61 VanDerWaalsContact C-N 3.25Å; V59-Q61 PolarHBondContact O-N 3.45Å; V59-I62 WeakPolarHBondContact O-CB 3.24Å; V59-I62 PolarHBondContact O-N 3.31Å; V59-E63 HydrophobicContact CG1-CG 4.13Å; V59-E63 VanDerWaalsContact O-CG 3.32Å; V59-E63 WeakPolarHBondContact O-CG 3Å; V59-E63 PolarHBondContact O-N 3.27Å
60R96.9Very high94.6Very high7 Ų757 Ų573%0.02627%0.27CS..Hα-helixtrans-62-32.2-176.1-70.3-173.171.7-170.34.1113.4P22 D23 H55 S56 E63 L64 D88P22-R60 HydrophobicContact CB-CB 3.9Å; P22-R60 WeakPolarHBondContact CB-O 3.17Å; P22-R60 HydrophobicContact CG-CB 3.87Å; D23-R60 IonicContact OD1-NH2 4Å; D23-R60 PolarHBondContact OD1-NH2 3.26Å; H55-R60 HydrophobicContact CB-CG 4.35Å; S56-R60 WeakPolarHBondContact O-CG 3.47Å; S56-R60 PolarHBondContact O-N 3.39Å; S56-R60 VanDerWaalsContact O-N 3.17Å; R60-E63 PolarHBondContact O-N 2.98Å; R60-L64 PolarHBondContact O-N 3.29Å; R60-D88 IonicContact CZ-OD2 2.64Å; R60-D88 IonicContact NH1-OD2 2.68Å; R60-D88 PolarHBondContact NH1-OD2 3.26Å
61Q97.6Very high94.9Very high34 Ų3457 Ų5716%0.15927%0.27CS..Hα-helixtrans-64.6-41.8173.1-78.1177.580.300113R57 E58 V59 R65 I80R57-Q61 WeakPolarHBondContact O-CB 3.44Å; R57-Q61 WeakPolarHBondContact O-CG 3.35Å; R57-Q61 PolarHBondContact O-N 2.8Å; R57-Q61 PolarHBondContact O-NE2 3.16Å; R57-Q61 VanDerWaalsContact O-NE2 3.14Å; E58-Q61 PolarHBondContact O-N 3.1Å; V59-Q61 VanDerWaalsContact C-N 3.25Å; V59-Q61 PolarHBondContact O-N 3.45Å; Q61-R65 WeakPolarHBondContact O-CG 3.22Å; Q61-R65 PolarHBondContact O-N 3.32Å; Q61-R65 VanDerWaalsContact O-N 3.13Å; Q61-I80 HydrophobicContact CB-CD1 3.94Å; Q61-I80 HydrophobicContact CG-CB 4.47Å; Q61-I80 HydrophobicContact CG-CD1 3.91Å; Q61-I80 HydrophobicContact CG-CG2 3.93Å
62I97.7Very high95.2Very high97 Ų9758.7 Ų58.750%0.49729%0.287SS..Hα-helixtrans-66.1-43.5176.5-66.8165.2000110E58 V59 L64 R65 N66E58-I62 WeakPolarHBondContact O-CG1 3.19Å; E58-I62 PolarHBondContact O-N 3.21Å; V59-I62 WeakPolarHBondContact O-CB 3.24Å; V59-I62 PolarHBondContact O-N 3.31Å; I62-L64 PolarHBondContact O-N 3.04Å; I62-R65 PolarHBondContact O-N 2.84Å; I62-N66 WeakPolarHBondContact O-CB 3.35Å; I62-N66 VanDerWaalsContact O-CG 3.28Å; I62-N66 PolarHBondContact O-N 3.22Å; I62-N66 PolarHBondContact O-ND2 3.16Å
63E98.1Very high95.7Very high18 Ų1857.6 Ų57.68%0.08428%0.275CS..Hα-helixtrans-59.1-47.3178-63.6-178.7147.500111.7V59 R60 R65 N66 S67 M200 H201 G202 S203V59-E63 HydrophobicContact CG1-CG 4.13Å; V59-E63 VanDerWaalsContact O-CG 3.32Å; V59-E63 WeakPolarHBondContact O-CG 3Å; V59-E63 PolarHBondContact O-N 3.27Å; R60-E63 PolarHBondContact O-N 2.98Å; E63-R65 PolarHBondContact O-N 2.75Å; E63-N66 PolarHBondContact O-N 3.31Å; E63-S67 WeakPolarHBondContact O-CB 3.47Å; E63-S67 PolarHBondContact O-N 3.18Å; E63-M200 VanDerWaalsContact CB-O 3.23Å; E63-M200 WeakPolarHBondContact CB-O 3.35Å; E63-M200 WeakPolarHBondContact CG-O 3.4Å; E63-H201 VanDerWaalsContact C-CE1 3.46Å; E63-H201 VanDerWaalsContact CB-ND1 3.34Å; E63-H201 WeakPolarHBondContact CB-ND1 3.45Å; E63-H201 IonicContact OE2-ND1 3.38Å; E63-G202 PolarHBondContact OE1-N 2.99Å; E63-S203 WeakPolarHBondContact OE1-CB 3.26Å; E63-S203 PolarHBondContact OE1-N 3.36Å; E63-S203 PolarHBondContact OE1-OG 2.67Å; E63-S203 WeakPolarHBondContact OE2-CB 3.49Å; E63-S203 PolarHBondContact OE2-OG 3.3Å
64L98.5Very high96.2Very high0 Ų056 Ų560%028%0.275CS..Hα-helixtrans-60.2-47.3176.2172.458.7000111.9I19 P22 E25 C47 R60 I62 N66 S67 C68 V78 I80 H201I19-L64 HydrophobicContact CD1-CD1 4.3Å; P22-L64 HydrophobicContact CB-CB 3.98Å; P22-L64 HydrophobicContact CB-CD2 4.44Å; P22-L64 WeakPolarHBondContact O-CB 3.47Å; P22-L64 WeakPolarHBondContact O-CD1 3.45Å; E25-L64 HydrophobicContact CB-CD1 4.4Å; E25-L64 VanDerWaalsContact CD-CD1 3.47Å; E25-L64 HydrophobicContact CG-CD1 3.79Å; C47-L64 HydrophobicContact CB-CD2 3.51Å; R60-L64 PolarHBondContact O-N 3.29Å; I62-L64 PolarHBondContact O-N 3.04Å; L64-N66 VanDerWaalsContact C-N 3.33Å; L64-N66 PolarHBondContact O-N 3.38Å; L64-S67 PolarHBondContact O-N 2.73Å; L64-C68 VanDerWaalsContact CD1-SG 3.57Å; L64-C68 VanDerWaalsContact O-CB 3.32Å; L64-C68 WeakPolarHBondContact O-CB 3.26Å; L64-C68 PolarHBondContact O-N 2.99Å; L64-V78 HydrophobicContact CD2-CG1 4.24Å; L64-V78 HydrophobicContact CG-CG1 4.13Å; L64-I80 HydrophobicContact CB-CD1 4.31Å; L64-I80 HydrophobicContact CD2-CD1 3.68Å; L64-I80 HydrophobicContact CD2-CG1 3.69Å; L64-I80 HydrophobicContact CG-CD1 4.2Å; L64-H201 PolarHBondContact N-CE1 3.27Å
65R98.6Very high96.6Very high70 Ų7053.1 Ų53.126%0.26426%0.264SS..Hα-helixtrans-60-43.8178.8-73.7-178.2-179.9105.42.7111.8Q61 I62 E63 R69 E75 V78 I80Q61-R65 WeakPolarHBondContact O-CG 3.22Å; Q61-R65 PolarHBondContact O-N 3.32Å; Q61-R65 VanDerWaalsContact O-N 3.13Å; I62-R65 PolarHBondContact O-N 2.84Å; E63-R65 PolarHBondContact O-N 2.75Å; R65-R69 WeakPolarHBondContact O-CB 3.35Å; R65-R69 PolarHBondContact O-N 3.24Å; R65-E75 WeakPolarHBondContact CD-OE1 3.38Å; R65-E75 HydrophobicContact CG-CG 4.41Å; R65-E75 IonicContact NE-OE1 3.93Å; R65-V78 HydrophobicContact CG-CG1 4.33Å; R65-I80 HydrophobicContact CG-CD1 4.16Å
66N98.4Very high97.1Very high78 Ų7856.6 Ų56.642%0.41728%0.281SS..Hα-helixtrans-64.8-43178-71.3-23.8000112.1I62 E63 L64 R69 L70 M200I62-N66 WeakPolarHBondContact O-CB 3.35Å; I62-N66 VanDerWaalsContact O-CG 3.28Å; I62-N66 PolarHBondContact O-N 3.22Å; I62-N66 PolarHBondContact O-ND2 3.16Å; E63-N66 PolarHBondContact O-N 3.31Å; L64-N66 VanDerWaalsContact C-N 3.33Å; L64-N66 PolarHBondContact O-N 3.38Å; N66-R69 PolarHBondContact O-N 3.44Å; N66-L70 PolarHBondContact O-N 3.43Å; N66-L70 VanDerWaalsContact O-N 3.13Å; N66-M200 HydrophobicContact CB-CB 4.17Å; N66-M200 HydrophobicContact CB-CG 4.17Å; N66-M200 HydrophobicContact CB-SD 4.2Å
67S98.6Very high97.4Very high0 Ų055.3 Ų55.30%027%0.27CS..Hα-helixtrans-62.5-51.1176179.10000111.7E25 E63 L64 R69 L70 L71 A197 H201E25-S67 WeakPolarHBondContact OE1-CB 3.44Å; E25-S67 PolarHBondContact OE1-OG 3.13Å; E63-S67 WeakPolarHBondContact O-CB 3.47Å; E63-S67 PolarHBondContact O-N 3.18Å; L64-S67 PolarHBondContact O-N 2.73Å; S67-R69 VanDerWaalsContact C-N 3.32Å; S67-R69 PolarHBondContact O-N 3.34Å; S67-L70 WeakPolarHBondContact O-CB 3.29Å; S67-L70 PolarHBondContact O-N 3.11Å; S67-L70 VanDerWaalsContact O-N 3.09Å; S67-L71 WeakPolarHBondContact O-CG 3.43Å; S67-L71 PolarHBondContact O-N 2.78Å; S67-A197 PolarHBondContact OG-O 2.91Å; S67-H201 WeakPolarHBondContact CB-NE2 3.34Å
68C98.6Very high97.6Very high0 Ų051.9 Ų51.90%026%0.257CS..Hα-helixtrans-55.7-45.1175.7-84.20000112.3L64 L70 L71 G72 V73 V78L64-C68 VanDerWaalsContact CD1-SG 3.57Å; L64-C68 VanDerWaalsContact O-CB 3.32Å; L64-C68 WeakPolarHBondContact O-CB 3.26Å; L64-C68 PolarHBondContact O-N 2.99Å; C68-L70 VanDerWaalsContact C-N 3.29Å; C68-L70 PolarHBondContact O-N 2.9Å; C68-L71 CarbonylContact O-C 3.54Å; C68-L71 WeakPolarHBondContact O-CA 3.32Å; C68-L71 PolarHBondContact O-N 3.41Å; C68-L71 VanDerWaalsContact O-N 3.09Å; C68-G72 PolarHBondContact O-N 3.06Å; C68-V73 CarbonylContact C-O 3.4Å; C68-V73 HydrophobicContact CB-CB 4.1Å; C68-V73 PolarHBondContact O-N 2.92Å; C68-V78 HydrophobicContact CB-CG2 3.48Å; C68-V78 VanDerWaalsContact CB-CG2 3.48Å
69R98Very high97.8Very high177 Ų17748 Ų4867%0.66824%0.24SC*.Hα-helixtrans-58.1-42.2176.7-175.5177.9-175.6145.62.3111.9R65 N66 S67 L71 G72 V73R65-R69 WeakPolarHBondContact O-CB 3.35Å; R65-R69 PolarHBondContact O-N 3.24Å; N66-R69 PolarHBondContact O-N 3.44Å; S67-R69 VanDerWaalsContact C-N 3.32Å; S67-R69 PolarHBondContact O-N 3.34Å; R69-L71 VanDerWaalsContact C-N 3.34Å; R69-G72 PolarHBondContact O-N 3.01Å; R69-V73 VanDerWaalsContact CA-O 3.31Å; R69-V73 WeakPolarHBondContact CA-O 3.48Å; R69-V73 PolarHBondContact N-O 3.41Å
70L97.7Very high97.8Very high45 Ų4546 Ų4624%0.23623%0.227CC..Hα-helixtrans-66-37.8176.4-175.964.3000112.1R37 N66 S67 C68 G72 L193 Q196 A197 M200R37-L70 PolarHBondContact NH1-O 3.14Å; N66-L70 PolarHBondContact O-N 3.43Å; N66-L70 VanDerWaalsContact O-N 3.13Å; S67-L70 WeakPolarHBondContact O-CB 3.29Å; S67-L70 PolarHBondContact O-N 3.11Å; S67-L70 VanDerWaalsContact O-N 3.09Å; C68-L70 VanDerWaalsContact C-N 3.29Å; C68-L70 PolarHBondContact O-N 2.9Å; L70-G72 PolarHBondContact O-N 2.79Å; L70-L193 HydrophobicContact CD1-CD1 3.67Å; L70-L193 HydrophobicContact CD2-CD1 3.99Å; L70-L193 HydrophobicContact CG-CD1 3.64Å; L70-Q196 HydrophobicContact CD2-CB 3.88Å; L70-Q196 HydrophobicContact CD2-CG 3.69Å; L70-A197 HydrophobicContact CD2-CB 4.27Å; L70-M200 HydrophobicContact CD2-CE 4.49Å
71L97.7Very high97.8Very high1 Ų147.5 Ų47.51%0.00524%0.236CC..Hα-helixtrans-73.8-7.9175.8-63.7173.6000113.4E25 C26 A30 L33 L34 S67 C68 R69 A197E25-L71 HydrophobicContact CG-CD1 4.02Å; C26-L71 HydrophobicContact CB-CD1 4.2Å; A30-L71 HydrophobicContact CB-CD2 4.21Å; L33-L71 HydrophobicContact CB-CB 4.31Å; L33-L71 HydrophobicContact CD1-CB 4.29Å; L33-L71 HydrophobicContact CD1-CD1 3.66Å; L34-L71 HydrophobicContact CD1-CD2 4.28Å; L34-L71 HydrophobicContact CD2-CD2 3.85Å; L34-L71 HydrophobicContact CG-CD2 3.98Å; S67-L71 WeakPolarHBondContact O-CG 3.43Å; S67-L71 PolarHBondContact O-N 2.78Å; C68-L71 CarbonylContact O-C 3.54Å; C68-L71 WeakPolarHBondContact O-CA 3.32Å; C68-L71 PolarHBondContact O-N 3.41Å; C68-L71 VanDerWaalsContact O-N 3.09Å; R69-L71 VanDerWaalsContact C-N 3.34Å; L71-A197 HydrophobicContact CD1-CB 4.07Å; L71-A197 HydrophobicContact CD2-CB 3.75Å; L71-A197 HydrophobicContact CG-CB 3.83Å
72G96.6Very high97.5Very high37 Ų3750.6 Ų50.638%0.38125%0.253SS..THydrogen-bonded Turntrans98.114.6174.500000115.1C68 R69 L70C68-G72 PolarHBondContact O-N 3.06Å; R69-G72 PolarHBondContact O-N 3.01Å; L70-G72 PolarHBondContact O-N 2.79Å
73V98.1Very high97.2Very high5 Ų548.1 Ų48.13%0.0324%0.241CC..  trans-97120.4173.7-177.50000108.5L33 V43 V45 C68 R69 D77 V78L33-V73 HydrophobicContact CD2-CG2 4.04Å; V43-V73 HydrophobicContact CB-CG2 4.41Å; V43-V73 HydrophobicContact CG1-CG2 4.1Å; V45-V73 HydrophobicContact CG2-CB 4.44Å; V45-V73 HydrophobicContact CG2-CG1 3.99Å; V45-V73 HydrophobicContact CG2-CG2 3.95Å; C68-V73 CarbonylContact C-O 3.4Å; C68-V73 HydrophobicContact CB-CB 4.1Å; C68-V73 PolarHBondContact O-N 2.92Å; R69-V73 VanDerWaalsContact CA-O 3.31Å; R69-V73 WeakPolarHBondContact CA-O 3.48Å; R69-V73 PolarHBondContact N-O 3.41Å; V73-D77 HydrophobicContact CG1-CB 4.03Å; V73-V78 HydrophobicContact CB-CG2 4.49Å; V73-V78 HydrophobicContact CG1-CG2 3.79Å
74P96.6Very high96.9Very high49 Ų4953.8 Ų53.832%0.31827%0.272SS..  trans-71.5158.3-179.534.8-38000111E76 D77P74-E76 VanDerWaalsContact C-N 3.31Å; P74-E76 HydrophobicContact CB-CG 4.41Å; P74-E76 HydrophobicContact CG-CG 4.35Å; P74-E76 PolarHBondContact O-N 3Å; P74-D77 HydrophobicContact CG-CB 3.98Å; P74-D77 WeakPolarHBondContact CG-OD2 3.47Å; P74-D77 PolarHBondContact O-N 3.14Å
75E97.2Very high96.6Very high108 Ų10860.1 Ų60.151%0.50530%0.296SS..G310 helixtrans-64.3-35.2-169.2-175.1172.4171.100113R65 D77 V78R65-E75 WeakPolarHBondContact CD-OE1 3.38Å; R65-E75 HydrophobicContact CG-CG 4.41Å; R65-E75 IonicContact NE-OE1 3.93Å; E75-D77 PolarHBondContact O-N 2.92Å; E75-V78 PolarHBondContact O-N 2.92Å; E75-V78 VanDerWaalsContact O-N 3.1Å
76E97.3Very high96.4Very high144 Ų14457 Ų5767%0.67328%0.284SS*.G310 helixtrans-62.4-22.6175.658.6-93.3-143.400114P74P74-E76 VanDerWaalsContact C-N 3.31Å; P74-E76 HydrophobicContact CB-CG 4.41Å; P74-E76 HydrophobicContact CG-CG 4.35Å; P74-E76 PolarHBondContact O-N 3Å
77D98.2Very high96.1Very high22 Ų2255 Ų5512%0.11828%0.276CS..G310 helixtrans-98.64.6178.9-70.7-40.5000112.7H42 I44 V45 V73 P74 E75H42-D77 IonicContact CD2-OD2 3.65Å; H42-D77 PolarHBondContact CD2-OD2 3.01Å; H42-D77 IonicContact CE1-OD1 3.33Å; H42-D77 PolarHBondContact CE1-OD1 2.97Å; H42-D77 IonicContact CE1-OD2 2.91Å; H42-D77 IonicContact NE2-OD1 2.89Å; H42-D77 PolarHBondContact NE2-OD1 3.28Å; H42-D77 IonicContact NE2-OD2 3.38Å; H42-D77 PolarHBondContact NE2-OD2 2.73Å; I44-D77 CarbonylContact C-O 3.59Å; I44-D77 WeakPolarHBondContact CA-O 3.38Å; I44-D77 HydrophobicContact CG1-CB 4.27Å; I44-D77 WeakPolarHBondContact CG2-O 3.47Å; V45-D77 PolarHBondContact N-O 2.68Å; V73-D77 HydrophobicContact CG1-CB 4.03Å; P74-D77 HydrophobicContact CG-CB 3.98Å; P74-D77 WeakPolarHBondContact CG-OD2 3.47Å; P74-D77 PolarHBondContact O-N 3.14Å; E75-D77 PolarHBondContact O-N 2.92Å
78V98.6Very high95.7Very high7 Ų756 Ų564%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-101.7101.9172.4-174.70000109.4V45 L64 R65 C68 V73 E75 I80V45-V78 WeakPolarHBondContact O-CA 3.2Å; L64-V78 HydrophobicContact CD2-CG1 4.24Å; L64-V78 HydrophobicContact CG-CG1 4.13Å; R65-V78 HydrophobicContact CG-CG1 4.33Å; C68-V78 HydrophobicContact CB-CG2 3.48Å; C68-V78 VanDerWaalsContact CB-CG2 3.48Å; V73-V78 HydrophobicContact CB-CG2 4.49Å; V73-V78 HydrophobicContact CG1-CG2 3.79Å; E75-V78 PolarHBondContact O-N 2.92Å; E75-V78 VanDerWaalsContact O-N 3.1Å; V78-I80 HydrophobicContact CG1-CD1 4.31Å; V78-I80 HydrophobicContact CG1-CG1 4.02Å
79L98.2Very high95.4Very high42 Ų4258.5 Ų58.522%0.2229%0.293CS..EExtended strand (participates in β ladder)trans-98.6111.8179.1-58.5-179.3000109.7I44 V45 V46 C47I44-L79 HydrophobicContact CG2-CD1 4.21Å; I44-L79 HydrophobicContact CG2-CG 4.44Å; V45-L79 PolarHBondContact O-N 3.39Å; V46-L79 CarbonylContact C-O 3.57Å; V46-L79 VanDerWaalsContact CA-O 3.32Å; V46-L79 WeakPolarHBondContact CA-O 3.26Å; V46-L79 HydrophobicContact CG2-CB 3.81Å; V46-L79 HydrophobicContact CG2-CD1 3.84Å; V46-L79 HydrophobicContact CG2-CG 4.3Å; C47-L79 PolarHBondContact N-O 3.21Å
80I97.8Very high94.9Very high25 Ų2552.4 Ų52.413%0.12828%0.276CS..EExtended strand (participates in β ladder)trans-108.8124.2177.6-45.6175.2000108.6C47 T49 Q61 L64 R65 V78C47-I80 HydrophobicContact CB-CG2 4.34Å; T49-I80 WeakPolarHBondContact O-CG2 3.26Å; Q61-I80 HydrophobicContact CB-CD1 3.94Å; Q61-I80 HydrophobicContact CG-CB 4.47Å; Q61-I80 HydrophobicContact CG-CD1 3.91Å; Q61-I80 HydrophobicContact CG-CG2 3.93Å; L64-I80 HydrophobicContact CB-CD1 4.31Å; L64-I80 HydrophobicContact CD2-CD1 3.68Å; L64-I80 HydrophobicContact CD2-CG1 3.69Å; L64-I80 HydrophobicContact CG-CD1 4.2Å; R65-I80 HydrophobicContact CG-CD1 4.16Å; V78-I80 HydrophobicContact CG1-CD1 4.31Å; V78-I80 HydrophobicContact CG1-CG1 4.02Å
81L95.8Very high94.6Very high39 Ų3955.1 Ų55.120%0.20429%0.294CS..  trans-90.9134.8179.1-57.2-174.5000110.9C47 L48 T49 S50 L102C47-L81 PolarHBondContact O-N 2.66Å; L48-L81 HydrophobicContact CD2-CD1 3.54Å; L48-L81 HydrophobicContact CD2-CG 4.48Å; T49-L81 CarbonylContact C-O 3.17Å; T49-L81 WeakPolarHBondContact CA-O 3.39Å; S50-L81 PolarHBondContact N-O 3.11Å; L81-L102 HydrophobicContact CD1-CD1 4.06Å; L81-L102 HydrophobicContact CD1-CD2 3.21Å; L81-L102 HydrophobicContact CD1-CG 4.1Å
82D92.2Very high94.3Very high99 Ų9958.4 Ų58.453%0.52931%0.311SS..  trans-120.773.5172.1-164.232.5000108.6S50 R57S50-D82 PolarHBondContact OG-OD1 3.41Å; R57-D82 IonicContact CZ-OD1 3.74Å; R57-D82 IonicContact NH1-OD1 3.5Å; R57-D82 PolarHBondContact NH1-OD1 3.15Å
83D91.8Very high94.2Very high45 Ų4560.2 Ų60.224%0.24132%0.318CS..  trans-122.2123.6-173.6-170.3-31.9000110R85 F86D83-R85 PolarHBondContact O-N 2.86Å; D83-R85 VanDerWaalsContact OD1-CB 3.28Å; D83-R85 WeakPolarHBondContact OD1-CB 3.36Å; D83-R85 VanDerWaalsContact OD1-CG 3.3Å; D83-R85 WeakPolarHBondContact OD1-CG 3.25Å; D83-R85 IonicContact OD1-CZ 2.76Å; D83-R85 PolarHBondContact OD1-N 3.21Å; D83-R85 IonicContact OD1-NE 3.61Å; D83-R85 PolarHBondContact OD1-NE 3.42Å; D83-R85 IonicContact OD2-CZ 3.82Å; D83-R85 IonicContact OD2-NE 3.8Å; D83-R85 PolarHBondContact OD2-NE 3Å; D83-R85 IonicContact OD2-NH2 3.26Å; D83-R85 PolarHBondContact OD2-NH2 3.22Å; D83-F86 HydrophobicContact CB-CD2 3.72Å; D83-F86 HydrophobicContact CB-CE2 4.06Å; D83-F86 CarbonylContact O-C 3.58Å; D83-F86 PolarHBondContact O-N 2.82Å
84N90.8Very high94Very high136 Ų13660.5 Ų60.573%0.72732%0.319SS*.THydrogen-bonded Turntrans-63.2-14.9-178.6-69.7-30.1000113.7F86N84-F86 VanDerWaalsContact C-N 3.26Å
85R92.5Very high94Very high133 Ų13362.7 Ų62.750%0.50233%0.328SS..THydrogen-bonded Turntrans-73.1-18.6172.4-61.2176.4-67.2171.1-0.5112.9D83 P87D83-R85 PolarHBondContact O-N 2.86Å; D83-R85 VanDerWaalsContact OD1-CB 3.28Å; D83-R85 WeakPolarHBondContact OD1-CB 3.36Å; D83-R85 VanDerWaalsContact OD1-CG 3.3Å; D83-R85 WeakPolarHBondContact OD1-CG 3.25Å; D83-R85 IonicContact OD1-CZ 2.76Å; D83-R85 PolarHBondContact OD1-N 3.21Å; D83-R85 IonicContact OD1-NE 3.61Å; D83-R85 PolarHBondContact OD1-NE 3.42Å; D83-R85 IonicContact OD2-CZ 3.82Å; D83-R85 IonicContact OD2-NE 3.8Å; D83-R85 PolarHBondContact OD2-NE 3Å; D83-R85 IonicContact OD2-NH2 3.26Å; D83-R85 PolarHBondContact OD2-NH2 3.22Å; R85-P87 WeakPolarHBondContact O-CD 3.37Å
86F93.1Very high93.9Very high4 Ų461 Ų612%0.01832%0.32CS..SBendtrans-120.765.5-179.7-44.9-53.4000110.2T49 D83 N84 D88 W94 C98 V99 L102T49-F86 WeakPolarHBondContact CG2-O 3.19Å; D83-F86 HydrophobicContact CB-CD2 3.72Å; D83-F86 HydrophobicContact CB-CE2 4.06Å; D83-F86 CarbonylContact O-C 3.58Å; D83-F86 PolarHBondContact O-N 2.82Å; N84-F86 VanDerWaalsContact C-N 3.26Å; F86-D88 PolarHBondContact O-N 3.25Å; F86-W94 HydrophobicContact CB-CD2 4.15Å; F86-W94 HydrophobicContact CB-CG 4.36Å; F86-W94 HydrophobicContact CB-CZ2 4.33Å; F86-W94 HydrophobicContact CD1-CB 4.08Å; F86-W94 HydrophobicContact CD1-CD2 4.23Å; F86-W94 HydrophobicContact CD1-CG 4.01Å; F86-C98 HydrophobicContact CE1-CB 3.76Å; F86-C98 HydrophobicContact CZ-CB 3.89Å; F86-V99 HydrophobicContact CD1-CG2 3.68Å; F86-V99 HydrophobicContact CE1-CB 4.31Å; F86-V99 HydrophobicContact CE1-CG2 3.36Å; F86-V99 HydrophobicContact CZ-CG2 4.26Å; F86-L102 HydrophobicContact CD2-CD2 4.23Å; F86-L102 HydrophobicContact CE2-CD2 3.47Å; F86-L102 VanDerWaalsContact CE2-CD2 3.47Å; F86-L102 HydrophobicContact CZ-CD2 3.86Å
87P92.6Very high93.8Very high38 Ų3855.4 Ų55.425%0.24730%0.301CS..  trans-64.1136.6178.927.8-34.9000110.9R85 H89 I92 W94R85-P87 WeakPolarHBondContact O-CD 3.37Å; P87-H89 PolarHBondContact O-N 3.48Å; P87-I92 HydrophobicContact CG-CB 4.45Å; P87-I92 HydrophobicContact CG-CD1 4.26Å; P87-I92 HydrophobicContact CG-CG2 3.89Å; P87-W94 PolarHBondContact O-NE1 2.9Å
88D90.9Very high93.8Very high19 Ų1956 Ų5610%0.10231%0.307CS..  trans-7195.6165.5-177.416.9000108.9H21 T49 G51 Y53 R60 F86H21-D88 IonicContact CD2-OD1 3.05Å; H21-D88 PolarHBondContact CD2-OD1 2.92Å; H21-D88 IonicContact NE2-OD1 3.01Å; T49-D88 HydrophobicContact CG2-CB 4.19Å; G51-D88 WeakPolarHBondContact CA-OD2 3.41Å; G51-D88 WeakPolarHBondContact O-CB 3.27Å; Y53-D88 WeakPolarHBondContact CB-O 3.41Å; Y53-D88 WeakPolarHBondContact CB-OD2 3.33Å; Y53-D88 PolarHBondContact N-OD2 2.82Å; R60-D88 IonicContact CZ-OD2 2.64Å; R60-D88 IonicContact NH1-OD2 2.68Å; R60-D88 PolarHBondContact NH1-OD2 3.26Å; F86-D88 PolarHBondContact O-N 3.25Å
89H91.3Very high93.7Very high54 Ų5455.7 Ų55.725%0.2531%0.305CS..  trans-151.9133.4176.6-162.2-87.2000111.2Y53 P87 T91 I92Y53-H89 AromaticContact CD2-CD2 3.76Å; Y53-H89 AromaticContact CE2-CD2 3.51Å; Y53-H89 AromaticContact CE2-NE2 3.64Å; P87-H89 PolarHBondContact O-N 3.48Å; H89-T91 PolarHBondContact CE1-OG1 2.59Å; H89-T91 PolarHBondContact ND1-N 2.91Å; H89-T91 PolarHBondContact ND1-OG1 3.29Å; H89-T91 PolarHBondContact O-N 2.91Å; H89-I92 HydrophobicContact CB-CB 4.05Å; H89-I92 HydrophobicContact CB-CD1 3.72Å; H89-I92 HydrophobicContact CB-CG1 3.89Å; H89-I92 PolarHBondContact O-N 2.82Å
90P88.6Confident93.7Very high48 Ų4853.7 Ų53.731%0.31229%0.294SS..THydrogen-bonded Turntrans-68.4-20-174.425.7-34.9000114.3Y53Y53-P90 HydrophobicContact CE1-CG 4.14Å; Y53-P90 HydrophobicContact CE2-CG 4.45Å
91T91.4Very high93.7Very high102 Ų10255.3 Ų55.363%0.62631%0.308SS*.THydrogen-bonded Turntrans-109.22-176.375.20000114.3H89H89-T91 PolarHBondContact CE1-OG1 2.59Å; H89-T91 PolarHBondContact ND1-N 2.91Å; H89-T91 PolarHBondContact ND1-OG1 3.29Å; H89-T91 PolarHBondContact O-N 2.91Å
92I91.5Very high93.8Very high70 Ų7054.8 Ų54.836%0.35931%0.305SS..  trans-107.4123.6-179.2-60.9175.4000107.6P87 H89 N128P87-I92 HydrophobicContact CG-CB 4.45Å; P87-I92 HydrophobicContact CG-CD1 4.26Å; P87-I92 HydrophobicContact CG-CG2 3.89Å; H89-I92 HydrophobicContact CB-CB 4.05Å; H89-I92 HydrophobicContact CB-CD1 3.72Å; H89-I92 HydrophobicContact CB-CG1 3.89Å; H89-I92 PolarHBondContact O-N 2.82Å; I92-N128 PolarHBondContact O-OD1 2.9Å; I92-N128 VanDerWaalsContact O-OD1 3.11Å
93S92.9Very high94.1Very high76 Ų7650.1 Ų50.153%0.53128%0.28SS..  trans-83.3143.8166.8-170.40000109S131S93-S131 PolarHBondContact OG-OG 3.36Å
94W95.8Very high94.4Very high10 Ų1050 Ų504%0.03828%0.278CS..  trans-79.6156.8174.6-59.3-27000111.6A20 L48 T49 F86 P87 Q96 V99 N128 S131 I132A20-W94 HydrophobicContact CB-CH2 3.67Å; A20-W94 HydrophobicContact CB-CZ3 4.34Å; L48-W94 HydrophobicContact CB-CH2 3.82Å; L48-W94 HydrophobicContact CB-CZ3 3.89Å; L48-W94 HydrophobicContact CD1-CE3 4.33Å; L48-W94 HydrophobicContact CD1-CH2 4.46Å; L48-W94 HydrophobicContact CD1-CZ3 3.71Å; L48-W94 HydrophobicContact CG-CZ3 4.41Å; T49-W94 HydrophobicContact CG2-CH2 3.83Å; T49-W94 HydrophobicContact CG2-CZ2 3.32Å; F86-W94 HydrophobicContact CB-CD2 4.15Å; F86-W94 HydrophobicContact CB-CG 4.36Å; F86-W94 HydrophobicContact CB-CZ2 4.33Å; F86-W94 HydrophobicContact CD1-CB 4.08Å; F86-W94 HydrophobicContact CD1-CD2 4.23Å; F86-W94 HydrophobicContact CD1-CG 4.01Å; P87-W94 PolarHBondContact O-NE1 2.9Å; W94-Q96 PolarHBondContact O-N 2.78Å; W94-V99 HydrophobicContact CB-CG2 3.75Å; W94-V99 HydrophobicContact CD2-CG2 4.48Å; W94-V99 HydrophobicContact CE3-CG2 3.99Å; W94-V99 HydrophobicContact CG-CG2 4.46Å; W94-N128 HydrophobicContact CD2-CB 4.5Å; W94-N128 VanDerWaalsContact CE2-CG 3.45Å; W94-N128 HydrophobicContact CE3-CB 4.49Å; W94-N128 HydrophobicContact CH2-CB 3.56Å; W94-N128 HydrophobicContact CZ2-CB 3.5Å; W94-N128 WeakPolarHBondContact CZ2-ND2 3.42Å; W94-N128 HydrophobicContact CZ3-CB 4.04Å; W94-N128 PolarHBondContact NE1-OD1 2.81Å; W94-S131 PolarHBondContact N-OG 2.55Å; W94-I132 HydrophobicContact CZ3-CD1 4.17Å; W94-I132 HydrophobicContact CZ3-CG1 3.89Å
95D95.3Very high94.7Very high95 Ų9550.9 Ų50.951%0.50828%0.276SS..  trans-65.8114.5170.5179-98.7000110G97 C98 V99D95-G97 PolarHBondContact O-N 2.82Å; D95-G97 PolarHBondContact OD1-N 3.28Å; D95-C98 HydrophobicContact CB-CB 4.11Å; D95-C98 PolarHBondContact O-N 2.8Å; D95-C98 WeakPolarHBondContact OD1-CB 3.4Å; D95-C98 PolarHBondContact OD1-N 3.44Å; D95-C98 PolarHBondContact OD1-SG 3.33Å; D95-V99 WeakPolarHBondContact O-CG2 3.47Å; D95-V99 PolarHBondContact O-N 3.28Å; D95-V99 VanDerWaalsContact O-N 3.12Å
96Q95.5Very high95Very high72 Ų7245.3 Ų45.334%0.33626%0.256SS..Hα-helixtrans-59.1-36.6-174.9-169.3-173.824.500111.8W94 T100 S134 S135 Q138W94-Q96 PolarHBondContact O-N 2.78Å; Q96-T100 WeakPolarHBondContact O-CB 3.32Å; Q96-T100 PolarHBondContact O-N 2.76Å; Q96-T100 PolarHBondContact O-OG1 2.64Å; Q96-S134 VanDerWaalsContact NE2-C 3.31Å; Q96-S134 PolarHBondContact NE2-O 3.08Å; Q96-S135 PolarHBondContact O-OG 3.13Å; Q96-Q138 VanDerWaalsContact CG-OE1 3.25Å
97G95.6Very high95.2Very high28 Ų2845.2 Ų45.229%0.28926%0.255SS..Hα-helixtrans-67.2-41.9179.800000113D95 S101D95-G97 PolarHBondContact O-N 2.82Å; D95-G97 PolarHBondContact OD1-N 3.28Å; G97-S101 WeakPolarHBondContact O-CB 3.35Å; G97-S101 PolarHBondContact O-N 3.09Å; G97-S101 PolarHBondContact O-OG 2.86Å
98C96.9Very high95.5Very high34 Ų3448.3 Ų48.323%0.2327%0.269CS..Hα-helixtrans-63.2-48.1175.4-71.20000111.5F86 D95 S101 L102F86-C98 HydrophobicContact CE1-CB 3.76Å; F86-C98 HydrophobicContact CZ-CB 3.89Å; D95-C98 HydrophobicContact CB-CB 4.11Å; D95-C98 PolarHBondContact O-N 2.8Å; D95-C98 WeakPolarHBondContact OD1-CB 3.4Å; D95-C98 PolarHBondContact OD1-N 3.44Å; D95-C98 PolarHBondContact OD1-SG 3.33Å; C98-S101 PolarHBondContact O-N 2.91Å; C98-L102 VanDerWaalsContact O-CB 3.29Å; C98-L102 WeakPolarHBondContact O-CB 3.32Å; C98-L102 PolarHBondContact O-N 3.18Å
99V97.8Very high95.8Very high0 Ų050.5 Ų50.50%029%0.285CS..Hα-helixtrans-63.4-46.8177.5179.20000110.4L48 F86 W94 D95 S101 L102 L103 S135L48-V99 HydrophobicContact CD1-CG1 3.99Å; F86-V99 HydrophobicContact CD1-CG2 3.68Å; F86-V99 HydrophobicContact CE1-CB 4.31Å; F86-V99 HydrophobicContact CE1-CG2 3.36Å; F86-V99 HydrophobicContact CZ-CG2 4.26Å; W94-V99 HydrophobicContact CB-CG2 3.75Å; W94-V99 HydrophobicContact CD2-CG2 4.48Å; W94-V99 HydrophobicContact CE3-CG2 3.99Å; W94-V99 HydrophobicContact CG-CG2 4.46Å; D95-V99 WeakPolarHBondContact O-CG2 3.47Å; D95-V99 PolarHBondContact O-N 3.28Å; D95-V99 VanDerWaalsContact O-N 3.12Å; V99-S101 PolarHBondContact O-N 2.91Å; V99-L102 PolarHBondContact O-N 2.76Å; V99-L103 HydrophobicContact CG1-CD1 3.69Å; V99-L103 HydrophobicContact CG1-CG 4.14Å; V99-L103 WeakPolarHBondContact O-CB 3.48Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.44Å; V99-L103 PolarHBondContact O-N 2.69Å; V99-S135 WeakPolarHBondContact CB-OG 3.49Å; V99-S135 WeakPolarHBondContact CG1-OG 3.37Å
100T98Very high96Very high0 Ų053 Ų530%029%0.293CS..Hα-helixtrans-53.9-50.8177.3-64.10000111.8Q96 L102 L103 E104 S135 Q138 L139Q96-T100 WeakPolarHBondContact O-CB 3.32Å; Q96-T100 PolarHBondContact O-N 2.76Å; Q96-T100 PolarHBondContact O-OG1 2.64Å; T100-L102 VanDerWaalsContact C-N 3.35Å; T100-L102 PolarHBondContact O-N 2.95Å; T100-L103 PolarHBondContact O-N 3.08Å; T100-E104 WeakPolarHBondContact O-CB 3.19Å; T100-E104 PolarHBondContact O-N 3.31Å; T100-S135 WeakPolarHBondContact OG1-CA 3.28Å; T100-S135 WeakPolarHBondContact OG1-CB 3.48Å; T100-Q138 HydrophobicContact CG2-CG 4.27Å; T100-L139 HydrophobicContact CG2-CD2 3.52Å; T100-L139 HydrophobicContact CG2-CG 3.8Å
101S97.3Very high96.4Very high59 Ų5958.9 Ų58.941%0.41331%0.313SS..Hα-helixtrans-68.9-35.3-176.2-53.30000112.2G97 C98 V99 K105G97-S101 WeakPolarHBondContact O-CB 3.35Å; G97-S101 PolarHBondContact O-N 3.09Å; G97-S101 PolarHBondContact O-OG 2.86Å; C98-S101 PolarHBondContact O-N 2.91Å; V99-S101 PolarHBondContact O-N 2.91Å; S101-K105 WeakPolarHBondContact O-CB 3.4Å; S101-K105 PolarHBondContact O-N 3.35Å; S101-K105 VanDerWaalsContact O-N 3.13Å
102L97.8Very high96.7Very high29 Ų2954.3 Ų54.315%0.15229%0.285CS..Hα-helixtrans-64.8-49.5173.6169.567.4000111.6L48 L81 F86 C98 V99 T100 E104 K105 I106L48-L102 HydrophobicContact CD2-CD2 4.01Å; L81-L102 HydrophobicContact CD1-CD1 4.06Å; L81-L102 HydrophobicContact CD1-CD2 3.21Å; L81-L102 HydrophobicContact CD1-CG 4.1Å; F86-L102 HydrophobicContact CD2-CD2 4.23Å; F86-L102 HydrophobicContact CE2-CD2 3.47Å; F86-L102 VanDerWaalsContact CE2-CD2 3.47Å; F86-L102 HydrophobicContact CZ-CD2 3.86Å; C98-L102 VanDerWaalsContact O-CB 3.29Å; C98-L102 WeakPolarHBondContact O-CB 3.32Å; C98-L102 PolarHBondContact O-N 3.18Å; V99-L102 PolarHBondContact O-N 2.76Å; T100-L102 VanDerWaalsContact C-N 3.35Å; T100-L102 PolarHBondContact O-N 2.95Å; L102-E104 PolarHBondContact O-N 3.01Å; L102-K105 WeakPolarHBondContact O-CB 3.48Å; L102-K105 PolarHBondContact O-N 3.22Å; L102-I106 HydrophobicContact CD1-CD1 3.94Å; L102-I106 HydrophobicContact CD1-CG1 4.27Å; L102-I106 HydrophobicContact CG-CD1 4.11Å; L102-I106 WeakPolarHBondContact O-CG1 3.31Å; L102-I106 PolarHBondContact O-N 3.32Å
103L98.3Very high97Very high0 Ų052.9 Ų52.90%028%0.278CS..Hα-helixtrans-62-44.2-179.5-68.5173.6000111.5V18 L48 V99 T100 K105 I106 M107 F136 L139V18-L103 HydrophobicContact CG1-CD2 3.73Å; V18-L103 HydrophobicContact CG2-CD2 4.04Å; L48-L103 HydrophobicContact CD2-CD2 4.38Å; V99-L103 HydrophobicContact CG1-CD1 3.69Å; V99-L103 HydrophobicContact CG1-CG 4.14Å; V99-L103 WeakPolarHBondContact O-CB 3.48Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.44Å; V99-L103 PolarHBondContact O-N 2.69Å; T100-L103 PolarHBondContact O-N 3.08Å; L103-K105 PolarHBondContact O-N 3.46Å; L103-I106 PolarHBondContact O-N 2.96Å; L103-M107 VanDerWaalsContact O-CG 3.3Å; L103-M107 WeakPolarHBondContact O-CG 3.41Å; L103-M107 PolarHBondContact O-N 3.34Å; L103-F136 HydrophobicContact CB-CZ 4.41Å; L103-F136 HydrophobicContact CD1-CD2 4.09Å; L103-F136 HydrophobicContact CD1-CE1 4.3Å; L103-F136 HydrophobicContact CD1-CE2 3.68Å; L103-F136 HydrophobicContact CD1-CZ 3.77Å; L103-F136 HydrophobicContact CD2-CE2 4.44Å; L103-F136 HydrophobicContact CD2-CZ 4.13Å; L103-F136 HydrophobicContact CG-CZ 4.33Å; L103-L139 HydrophobicContact CB-CD1 4.19Å
104E98.1Very high97.2Very high43 Ų4349.5 Ų49.520%0.20125%0.254CS..Hα-helixtrans-55.8-49.1173.4-175.3-177.1-133.800111.6T100 L102 I106 M107 I108 L139 R144T100-E104 WeakPolarHBondContact O-CB 3.19Å; T100-E104 PolarHBondContact O-N 3.31Å; L102-E104 PolarHBondContact O-N 3.01Å; E104-I106 PolarHBondContact O-N 3.44Å; E104-M107 PolarHBondContact O-N 3.12Å; E104-I108 HydrophobicContact CG-CD1 3.86Å; E104-I108 WeakPolarHBondContact O-CG1 3.3Å; E104-I108 PolarHBondContact O-N 2.99Å; E104-L139 HydrophobicContact CB-CD2 3.9Å; E104-L139 HydrophobicContact CG-CD2 4.41Å; E104-R144 WeakPolarHBondContact OE1-CB 3.3Å; E104-R144 WeakPolarHBondContact OE1-CG 3.11Å; E104-R144 IonicContact OE1-CZ 2.74Å; E104-R144 IonicContact OE1-NE 3.49Å; E104-R144 PolarHBondContact OE1-NE 3.02Å; E104-R144 IonicContact OE1-NH2 3.35Å; E104-R144 IonicContact OE2-CZ 2.91Å; E104-R144 IonicContact OE2-NE 2.94Å; E104-R144 PolarHBondContact OE2-NE 3.2Å; E104-R144 IonicContact OE2-NH2 3.92Å; E104-R144 PolarHBondContact OE2-NH2 3.42Å
105K97.9Very high97.3Very high155 Ų15549 Ų4967%0.67425%0.252SS*.Hα-helixtrans-58.9-45.1178.2-178.6-178.7178.3-1780111.9S101 L102 L103 S109S101-K105 WeakPolarHBondContact O-CB 3.4Å; S101-K105 PolarHBondContact O-N 3.35Å; S101-K105 VanDerWaalsContact O-N 3.13Å; L102-K105 WeakPolarHBondContact O-CB 3.48Å; L102-K105 PolarHBondContact O-N 3.22Å; L103-K105 PolarHBondContact O-N 3.46Å; K105-S109 VanDerWaalsContact O-CB 3.25Å; K105-S109 WeakPolarHBondContact O-CB 3.21Å; K105-S109 PolarHBondContact O-N 3.38Å; K105-S109 PolarHBondContact O-OG 3.32Å
106I98Very high97.5Very high16 Ų1644.6 Ų44.68%0.08223%0.228CC..Hα-helixtrans-61.1-51.5178-68.4173.9000109.6L16 V46 L102 L103 E104 I108 S109 R110L16-I106 HydrophobicContact CD1-CG2 4.34Å; L16-I106 HydrophobicContact CD2-CG2 4.17Å; V46-I106 HydrophobicContact CG1-CD1 3.96Å; V46-I106 HydrophobicContact CG2-CD1 4.06Å; V46-I106 HydrophobicContact CG2-CG2 4.09Å; L102-I106 HydrophobicContact CD1-CD1 3.94Å; L102-I106 HydrophobicContact CD1-CG1 4.27Å; L102-I106 HydrophobicContact CG-CD1 4.11Å; L102-I106 WeakPolarHBondContact O-CG1 3.31Å; L102-I106 PolarHBondContact O-N 3.32Å; L103-I106 PolarHBondContact O-N 2.96Å; E104-I106 PolarHBondContact O-N 3.44Å; I106-I108 VanDerWaalsContact C-N 3.35Å; I106-I108 PolarHBondContact O-N 3.04Å; I106-S109 PolarHBondContact O-N 3.29Å; I106-S109 PolarHBondContact O-OG 2.84Å; I106-R110 HydrophobicContact CG2-CG 4.46Å; I106-R110 WeakPolarHBondContact O-CB 3.06Å; I106-R110 PolarHBondContact O-N 3.26Å
107M98.2Very high97.6Very high1 Ų141.1 Ų41.11%0.00521%0.212CC..Hα-helixtrans-59.5-43.6-176.4-70.2-173.7-63.500112.8L16 L103 E104 K111 I112 V115 F136 L139 M145 P146 T149L16-M107 HydrophobicContact CD2-CG 3.95Å; L103-M107 VanDerWaalsContact O-CG 3.3Å; L103-M107 WeakPolarHBondContact O-CG 3.41Å; L103-M107 PolarHBondContact O-N 3.34Å; E104-M107 PolarHBondContact O-N 3.12Å; M107-K111 WeakPolarHBondContact O-CA 3.29Å; M107-K111 PolarHBondContact O-N 3Å; M107-I112 HydrophobicContact CB-CB 4.16Å; M107-I112 HydrophobicContact CB-CG1 4.23Å; M107-I112 HydrophobicContact CG-CB 4.21Å; M107-I112 HydrophobicContact CG-CG1 4.27Å; M107-I112 HydrophobicContact CG-CG2 4.47Å; M107-I112 PolarHBondContact O-N 2.59Å; M107-V115 HydrophobicContact CG-CG2 4.41Å; M107-V115 HydrophobicContact SD-CG2 3.71Å; M107-F136 HydrophobicContact CE-CE1 4.21Å; M107-F136 HydrophobicContact SD-CE1 3.91Å; M107-L139 HydrophobicContact CE-CD1 3.66Å; M107-M145 HydrophobicContact CE-CE 4.4Å; M107-M145 HydrophobicContact CE-SD 3.86Å; M107-M145 HydrophobicContact SD-CE 4.03Å; M107-M145 HydrophobicContact SD-SD 4.26Å; M107-P146 HydrophobicContact CB-CG 3.79Å; M107-P146 HydrophobicContact CE-CG 4.47Å; M107-T149 HydrophobicContact SD-CG2 4.33Å
108I97.6Very high97.8Very high104 Ų10439.8 Ų39.853%0.53320%0.199SC..Hα-helixtrans-65.1-48.7176.2-66.4170.4000110.5E104 I106 R110 K111 P146E104-I108 HydrophobicContact CG-CD1 3.86Å; E104-I108 WeakPolarHBondContact O-CG1 3.3Å; E104-I108 PolarHBondContact O-N 2.99Å; I106-I108 VanDerWaalsContact C-N 3.35Å; I106-I108 PolarHBondContact O-N 3.04Å; I108-R110 VanDerWaalsContact C-N 3.28Å; I108-R110 PolarHBondContact O-N 2.84Å; I108-K111 PolarHBondContact O-N 2.97Å; I108-P146 HydrophobicContact CG1-CG 4.16Å
109S97.2Very high97.9Very high65 Ų6539 Ų3946%0.45519%0.192SC..Hα-helixtrans-65.5-31.3-175.274.10000113.5K105 I106K105-S109 VanDerWaalsContact O-CB 3.25Å; K105-S109 WeakPolarHBondContact O-CB 3.21Å; K105-S109 PolarHBondContact O-N 3.38Å; K105-S109 PolarHBondContact O-OG 3.32Å; I106-S109 PolarHBondContact O-N 3.29Å; I106-S109 PolarHBondContact O-OG 2.84Å
110R96.9Very high97.9Very high106 Ų10644.4 Ų44.440%0.422%0.217SC..Hα-helixtrans-1001-179.2-64.7-61.5-173.2-83.34.7113.5I44 I106 I108 I112I44-R110 HydrophobicContact CD1-CB 3.88Å; I44-R110 HydrophobicContact CD1-CG 4.01Å; I106-R110 HydrophobicContact CG2-CG 4.46Å; I106-R110 WeakPolarHBondContact O-CB 3.06Å; I106-R110 PolarHBondContact O-N 3.26Å; I108-R110 VanDerWaalsContact C-N 3.28Å; I108-R110 PolarHBondContact O-N 2.84Å; R110-I112 HydrophobicContact CB-CD1 3.61Å; R110-I112 HydrophobicContact CB-CG1 3.98Å; R110-I112 PolarHBondContact O-N 3.13Å
111K96.8Very high97.8Very high171 Ų17149.8 Ų49.874%0.74324%0.241SC*.THydrogen-bonded Turntrans51.955.1-179.4-56.5178.4-179.2177.80111.8M107 I108M107-K111 WeakPolarHBondContact O-CA 3.29Å; M107-K111 PolarHBondContact O-N 3Å; I108-K111 PolarHBondContact O-N 2.97Å
112I97.9Very high97.8Very high6 Ų647 Ų473%0.03122%0.221CC..  trans-74.4127.7-174.9-59.7-55.5000111.2T14 L16 I44 M107 R110 V114 V115 T149T14-I112 HydrophobicContact CG2-CD1 3.62Å; L16-I112 HydrophobicContact CB-CB 4.43Å; L16-I112 HydrophobicContact CB-CD1 3.85Å; L16-I112 HydrophobicContact CB-CG1 3.98Å; L16-I112 HydrophobicContact CB-CG2 3.57Å; L16-I112 HydrophobicContact CD2-CG1 4.29Å; I44-I112 HydrophobicContact CD1-CD1 4.02Å; M107-I112 HydrophobicContact CB-CB 4.16Å; M107-I112 HydrophobicContact CB-CG1 4.23Å; M107-I112 HydrophobicContact CG-CB 4.21Å; M107-I112 HydrophobicContact CG-CG1 4.27Å; M107-I112 HydrophobicContact CG-CG2 4.47Å; M107-I112 PolarHBondContact O-N 2.59Å; R110-I112 HydrophobicContact CB-CD1 3.61Å; R110-I112 HydrophobicContact CB-CG1 3.98Å; R110-I112 PolarHBondContact O-N 3.13Å; I112-V114 VanDerWaalsContact CG2-O 3.28Å; I112-V114 WeakPolarHBondContact CG2-O 3.47Å; I112-V115 HydrophobicContact CG2-CG2 3.85Å; I112-T149 HydrophobicContact CG2-CG2 4.32Å; I112-T149 PolarHBondContact O-OG1 3.15Å
113D97.2Very high97.6Very high40 Ų4045.9 Ų45.921%0.21422%0.216CC..SBendtrans-91-34.6174.6-66.4-87.4000112.6K13 T14 T149 S150K13-D113 HydrophobicContact CB-CB 3.99Å; K13-D113 HydrophobicContact CD-CB 3.82Å; K13-D113 HydrophobicContact CG-CB 4.33Å; K13-D113 IonicContact NZ-OD1 3.82Å; K13-D113 PolarHBondContact NZ-OD1 3.36Å; T14-D113 PolarHBondContact N-OD2 3.26Å; T14-D113 PolarHBondContact O-N 3.44Å; D113-T149 CarbonylContact O-C 3.14Å; D113-T149 VanDerWaalsContact O-CA 3.25Å; D113-T149 WeakPolarHBondContact O-CA 2.95Å; D113-S150 PolarHBondContact O-N 3.12Å
114V97.4Very high97.4Very high6 Ų649.8 Ų49.84%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-139.9136.7-172.6-173.50000110F10 T14 V15 L16 I112 F116 S150 Y152F10-V114 HydrophobicContact CD1-CG1 4.38Å; F10-V114 HydrophobicContact CD1-CG2 3.82Å; F10-V114 HydrophobicContact CE1-CG1 4.02Å; F10-V114 HydrophobicContact CE1-CG2 4.03Å; T14-V114 PolarHBondContact O-N 3.29Å; V15-V114 CarbonylContact C-O 3.55Å; V15-V114 WeakPolarHBondContact CA-O 3.33Å; V15-V114 HydrophobicContact CG2-CB 4.25Å; L16-V114 PolarHBondContact N-O 3.27Å; I112-V114 VanDerWaalsContact CG2-O 3.28Å; I112-V114 WeakPolarHBondContact CG2-O 3.47Å; V114-F116 HydrophobicContact CG1-CD2 4.32Å; V114-F116 HydrophobicContact CG1-CE2 3.71Å; V114-F116 HydrophobicContact CG1-CZ 3.98Å; V114-S150 CarbonylContact C-O 3.58Å; V114-S150 WeakPolarHBondContact CA-O 3.25Å; V114-Y152 HydrophobicContact CG1-CD2 3.65Å; V114-Y152 HydrophobicContact CG1-CE2 3.82Å
115V98.5Very high97.2Very high0 Ų049.8 Ų49.80%026%0.255CS..EExtended strand (participates in β ladder)trans-117133.5176.5178.90000110.1L16 V18 M107 I112 F136 T149 S150 L151 Y152L16-V115 HydrophobicContact CB-CG2 4.4Å; L16-V115 CarbonylContact O-C 3.57Å; L16-V115 VanDerWaalsContact O-CA 3.31Å; L16-V115 WeakPolarHBondContact O-CA 3.33Å; V18-V115 HydrophobicContact CG2-CG1 4.31Å; M107-V115 HydrophobicContact CG-CG2 4.41Å; M107-V115 HydrophobicContact SD-CG2 3.71Å; I112-V115 HydrophobicContact CG2-CG2 3.85Å; V115-F136 HydrophobicContact CB-CE1 4.48Å; V115-F136 HydrophobicContact CG1-CE1 3.78Å; V115-F136 HydrophobicContact CG1-CE2 3.93Å; V115-F136 HydrophobicContact CG1-CZ 3.42Å; V115-F136 VanDerWaalsContact CG1-CZ 3.42Å; V115-F136 HydrophobicContact CG2-CE1 4.25Å; V115-T149 HydrophobicContact CG2-CG2 3.89Å; V115-S150 PolarHBondContact N-O 2.8Å; V115-L151 HydrophobicContact CB-CD1 3.78Å; V115-L151 HydrophobicContact CG1-CD1 3.58Å; V115-Y152 PolarHBondContact O-N 3.36Å
116F98.6Very high97Very high1 Ų144.5 Ų44.50%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-114.2134.3166.7-68.8-76.2000110.4F10 V15 L16 L17 V18 T32 L36 V114 Y152 L182 F184 F224F10-F116 HydrophobicContact CE2-CZ 4.09Å; F10-F116 HydrophobicContact CZ-CZ 4.07Å; V15-F116 HydrophobicContact CG1-CD2 3.39Å; V15-F116 HydrophobicContact CG1-CE2 3.54Å; L16-F116 PolarHBondContact O-N 3.28Å; L17-F116 WeakPolarHBondContact CA-O 3.38Å; L17-F116 HydrophobicContact CD1-CB 3.98Å; V18-F116 PolarHBondContact N-O 3.11Å; T32-F116 HydrophobicContact CG2-CD1 4.48Å; T32-F116 HydrophobicContact CG2-CD2 4.35Å; T32-F116 HydrophobicContact CG2-CG 4.29Å; L36-F116 HydrophobicContact CD1-CD2 4.37Å; L36-F116 HydrophobicContact CD1-CE2 4.06Å; V114-F116 HydrophobicContact CG1-CD2 4.32Å; V114-F116 HydrophobicContact CG1-CE2 3.71Å; V114-F116 HydrophobicContact CG1-CZ 3.98Å; F116-Y152 WeakPolarHBondContact CA-O 3.27Å; F116-Y152 VanDerWaalsContact CD1-CB 3.49Å; F116-Y152 HydrophobicContact CD1-CG 4.31Å; F116-Y152 VanDerWaalsContact CE1-CB 3.43Å; F116-Y152 HydrophobicContact CE1-CD2 4.02Å; F116-Y152 AromaticContact CE1-CG 3.77Å; F116-Y152 HydrophobicContact CE1-CG 3.77Å; F116-Y152 HydrophobicContact CZ-CD2 4.21Å; F116-Y152 HydrophobicContact CZ-CG 4.38Å; F116-L182 HydrophobicContact CE1-CD2 3.59Å; F116-L182 HydrophobicContact CZ-CD2 3.82Å; F116-F184 HydrophobicContact CE1-CE2 4.05Å; F116-F184 HydrophobicContact CZ-CE2 4.04Å; F116-F184 HydrophobicContact CZ-CZ 4.25Å; F116-F224 HydrophobicContact CB-CE1 4.29Å; F116-F224 AromaticContact CD1-CD1 3.66Å; F116-F224 HydrophobicContact CD1-CD1 3.66Å; F116-F224 HydrophobicContact CD1-CD2 4.41Å; F116-F224 AromaticContact CD1-CE1 3.49Å; F116-F224 HydrophobicContact CD1-CE1 3.49Å; F116-F224 VanDerWaalsContact CD1-CE1 3.49Å; F116-F224 HydrophobicContact CD1-CE2 4.24Å; F116-F224 HydrophobicContact CD1-CG 4.14Å; F116-F224 AromaticContact CD1-CZ 3.81Å; F116-F224 HydrophobicContact CD1-CZ 3.81Å; F116-F224 HydrophobicContact CE1-CD1 4.17Å; F116-F224 HydrophobicContact CE1-CD2 4.34Å; F116-F224 HydrophobicContact CE1-CE1 4.31Å; F116-F224 HydrophobicContact CE1-CE2 4.44Å; F116-F224 HydrophobicContact CE1-CG 4.2Å; F116-F224 HydrophobicContact CE1-CZ 4.44Å; F116-F224 HydrophobicContact CG-CE1 4.32Å
117T98.7Very high97Very high0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-160.6-166.2173.8-164.70000111.4V18 I132 F136 L151 Y152 V153 L154V18-T117 PolarHBondContact O-OG1 3.4Å; T117-I132 HydrophobicContact CG2-CG2 4.18Å; T117-I132 WeakPolarHBondContact OG1-CG2 3.34Å; T117-F136 HydrophobicContact CG2-CD2 3.73Å; T117-F136 HydrophobicContact CG2-CE2 3.87Å; T117-L151 HydrophobicContact CG2-CD1 4.17Å; T117-Y152 PolarHBondContact N-O 3.36Å; T117-Y152 VanDerWaalsContact N-O 3.08Å; T117-V153 HydrophobicContact CG2-CG1 4.19Å; T117-V153 CarbonylContact O-C 3.59Å; T117-V153 WeakPolarHBondContact O-CA 3.47Å; T117-L154 WeakPolarHBondContact O-CB 3.49Å; T117-L154 PolarHBondContact O-N 3.41Å
118F98.5Very high96.9Very high0 Ų046.9 Ų46.90%025%0.245CC..EExtended strand (participates in β ladder)trans-79.4155178.1-54.9-79.1000112.9D24 F28 F29 I123 H129 I132 H133 V153D24-F118 HydrophobicContact CB-CZ 4.06Å; F28-F118 HydrophobicContact CB-CE1 4.39Å; F28-F118 AromaticContact CD2-CE1 3.75Å; F28-F118 HydrophobicContact CD2-CE1 3.75Å; F28-F118 HydrophobicContact CD2-CZ 4.11Å; F28-F118 HydrophobicContact CE2-CE1 4.32Å; F28-F118 HydrophobicContact CG-CE1 4.26Å; F29-F118 HydrophobicContact CE2-CD1 4.15Å; F29-F118 AromaticContact CE2-CE1 3.59Å; F29-F118 HydrophobicContact CE2-CE1 3.59Å; F29-F118 HydrophobicContact CE2-CE2 4.33Å; F29-F118 AromaticContact CE2-CZ 3.71Å; F29-F118 HydrophobicContact CE2-CZ 3.71Å; F29-F118 HydrophobicContact CZ-CD1 4.06Å; F29-F118 AromaticContact CZ-CE1 3.99Å; F29-F118 HydrophobicContact CZ-CE1 3.99Å; F29-F118 HydrophobicContact CZ-CG 4.47Å; F29-F118 HydrophobicContact CZ-CZ 4.33Å; F118-I123 HydrophobicContact CD1-CD1 3.71Å; F118-I123 HydrophobicContact CD1-CG1 4.01Å; F118-I123 HydrophobicContact CE1-CD1 3.62Å; F118-I123 HydrophobicContact CE1-CG1 4.36Å; F118-H129 HydrophobicContact CB-CB 4.04Å; F118-H129 HydrophobicContact CD1-CB 4.24Å; F118-H129 AromaticContact CD1-ND1 3.97Å; F118-H129 HydrophobicContact CD2-CB 3.69Å; F118-H129 AromaticContact CD2-CG 3.78Å; F118-H129 AromaticContact CE1-CE1 3.88Å; F118-H129 AromaticContact CE1-CG 4Å; F118-H129 AromaticContact CE1-ND1 3.72Å; F118-H129 HydrophobicContact CE2-CB 4.12Å; F118-H129 AromaticContact CE2-CD2 3.51Å; F118-H129 AromaticContact CE2-CG 3.7Å; F118-H129 HydrophobicContact CG-CB 3.73Å; F118-H129 AromaticContact CG-CG 3.95Å; F118-H129 AromaticContact CZ-CD2 3.68Å; F118-H129 AromaticContact CZ-CE1 3.75Å; F118-H129 AromaticContact CZ-CG 3.8Å; F118-H129 AromaticContact CZ-ND1 3.84Å; F118-H129 AromaticContact CZ-NE2 3.7Å; F118-I132 HydrophobicContact CD2-CD1 4.25Å; F118-I132 HydrophobicContact CE2-CD1 4.32Å; F118-H133 PolarHBondContact O-CD2 2.83Å; F118-V153 WeakPolarHBondContact O-CG1 3.41Å
119D98.3Very high97Very high16 Ų1642.1 Ų42.19%0.08622%0.22CC..  trans-79.4-176.4166.975.9-1000112.7F121 G122 H133 V153 L154 T156D119-F121 PolarHBondContact O-N 2.79Å; D119-F121 PolarHBondContact OD1-N 2.75Å; D119-G122 PolarHBondContact O-N 3.11Å; D119-G122 VanDerWaalsContact O-N 3.11Å; D119-G122 PolarHBondContact OD1-N 2.95Å; D119-G122 VanDerWaalsContact OD1-N 3.13Å; D119-H133 VanDerWaalsContact C-CG 3.44Å; D119-H133 WeakPolarHBondContact O-CB 3.31Å; D119-V153 HydrophobicContact CB-CB 4.06Å; D119-V153 HydrophobicContact CB-CG2 3.95Å; D119-L154 WeakPolarHBondContact CB-O 3.48Å; D119-L154 VanDerWaalsContact CG-O 3.28Å; D119-L154 PolarHBondContact N-O 3.37Å; D119-T156 VanDerWaalsContact CG-OG1 3.27Å; D119-T156 WeakPolarHBondContact OD1-CB 3.32Å; D119-T156 PolarHBondContact OD1-OG1 3.47Å; D119-T156 VanDerWaalsContact OD2-CB 3.27Å; D119-T156 WeakPolarHBondContact OD2-CB 3.32Å; D119-T156 PolarHBondContact OD2-N 3.1Å; D119-T156 PolarHBondContact OD2-OG1 3.22Å
120Q97.8Very high97Very high115 Ų11540.5 Ų40.554%0.53721%0.208SC..THydrogen-bonded Turntrans-59.6-16.6-179.669.3-170.37.400115.2C130 H133Q120-C130 PolarHBondContact O-SG 3.42Å; Q120-C130 VanDerWaalsContact O-SG 3.4Å; Q120-H133 WeakPolarHBondContact CA-ND1 3.49Å; Q120-H133 VanDerWaalsContact CB-CE1 3.42Å; Q120-H133 WeakPolarHBondContact CB-CE1 3.4Å; Q120-H133 PolarHBondContact N-CD2 3.47Å; Q120-H133 VanDerWaalsContact N-CD2 3.32Å; Q120-H133 PolarHBondContact N-NE2 3.32Å
121F97.7Very high97Very high113 Ų11335.6 Ų35.650%0.49619%0.19SC..THydrogen-bonded Turntrans-104.1-7.2-178.7-57.4-67000112.6D119 I123 G125 T156D119-F121 PolarHBondContact O-N 2.79Å; D119-F121 PolarHBondContact OD1-N 2.75Å; F121-I123 PolarHBondContact O-N 3.05Å; F121-G125 WeakPolarHBondContact O-CA 3.38Å; F121-G125 PolarHBondContact O-N 3.13Å; F121-T156 HydrophobicContact CB-CG2 3.67Å
122G96.5Very high97.1Very high0 Ų027.4 Ų27.40%016%0.155CC..Hα-helixtrans57.929.4169.500000114.8D119 S124 H129D119-G122 PolarHBondContact O-N 3.11Å; D119-G122 VanDerWaalsContact O-N 3.11Å; D119-G122 PolarHBondContact OD1-N 2.95Å; D119-G122 VanDerWaalsContact OD1-N 3.13Å; G122-S124 PolarHBondContact O-N 2.82Å; G122-H129 VanDerWaalsContact CA-CB 3.48Å; G122-H129 PolarHBondContact O-ND1 3.05Å
123I94.5Very high97.1Very high6 Ų628.1 Ų28.13%0.03116%0.158CC..Hα-helixtrans66.7-39.5-177.9-56.1173.5000115.3F28 F118 F121 L154 T156 Y218F28-I123 HydrophobicContact CB-CD1 3.65Å; F28-I123 HydrophobicContact CD1-CD1 3.19Å; F28-I123 HydrophobicContact CD1-CG1 4.47Å; F28-I123 HydrophobicContact CD1-CG2 4.2Å; F28-I123 HydrophobicContact CD2-CD1 3.84Å; F28-I123 HydrophobicContact CE1-CB 4.38Å; F28-I123 HydrophobicContact CE1-CD1 3.68Å; F28-I123 HydrophobicContact CE1-CG2 3.8Å; F28-I123 HydrophobicContact CE2-CD1 4.25Å; F28-I123 HydrophobicContact CG-CD1 3.28Å; F28-I123 HydrophobicContact CZ-CD1 4.16Å; F28-I123 HydrophobicContact CZ-CG2 4.45Å; F118-I123 HydrophobicContact CD1-CD1 3.71Å; F118-I123 HydrophobicContact CD1-CG1 4.01Å; F118-I123 HydrophobicContact CE1-CD1 3.62Å; F118-I123 HydrophobicContact CE1-CG1 4.36Å; F121-I123 PolarHBondContact O-N 3.05Å; I123-L154 HydrophobicContact CD1-CD2 3.72Å; I123-L154 HydrophobicContact CG1-CD2 4.43Å; I123-T156 WeakPolarHBondContact CA-OG1 3.48Å; I123-T156 PolarHBondContact N-OG1 3.22Å; I123-Y218 HydrophobicContact CG2-CD2 4.27Å; I123-Y218 HydrophobicContact CG2-CE2 3.61Å
124S92.3Very high97.1Very high81 Ų8128 Ų2857%0.56616%0.16SC*.Hα-helixtrans-135.514.817961.50000113.1G122 H126G122-S124 PolarHBondContact O-N 2.82Å; S124-H126 VanDerWaalsContact C-N 3.35Å
125G94.4Very high97.2Very high44 Ų4427.7 Ų27.745%0.45416%0.158SC..Hα-helixtrans76.319.1-174.500000113.9F121 L127F121-G125 WeakPolarHBondContact O-CA 3.38Å; F121-G125 PolarHBondContact O-N 3.13Å; G125-L127 PolarHBondContact O-N 2.81Å
126H95Very high97.2Very high43 Ų4327.7 Ų27.720%0.19916%0.158CC..  trans-67122.7-177.9-163.1-70.6000110.6H21 S124 N128 H129 C130H21-H126 AromaticContact CE1-CE1 3.4Å; H21-H126 PolarHBondContact CE1-CE1 2.88Å; H21-H126 VanDerWaalsContact CE1-CE1 3.4Å; H21-H126 AromaticContact CE1-ND1 3.55Å; H21-H126 AromaticContact CE1-NE2 3.89Å; H21-H126 AromaticContact NE2-CE1 3.36Å; H21-H126 PolarHBondContact NE2-CE1 3.03Å; H21-H126 AromaticContact NE2-ND1 3.87Å; H21-H126 AromaticContact NE2-NE2 3.99Å; S124-H126 VanDerWaalsContact C-N 3.35Å; H126-N128 VanDerWaalsContact C-N 3.27Å; H126-N128 PolarHBondContact ND1-N 2.81Å; H126-N128 PolarHBondContact O-N 2.79Å; H126-H129 HydrophobicContact CB-CB 4.44Å; H126-H129 WeakPolarHBondContact O-CB 3.36Å; H126-H129 PolarHBondContact O-N 2.81Å; H126-C130 PolarHBondContact O-N 3.35Å; H126-C130 VanDerWaalsContact O-N 3.1Å; H126-C130 PolarHBondContact O-SG 3.44Å; H126-C130 VanDerWaalsContact O-SG 3.41Å
127L96.6Very high97.2Very high68 Ų6829.1 Ų29.136%0.35617%0.168SC..Hα-helixtrans-57.5-38.2-171.1-64.2-179.2000113.3G125 H129 C130 S131G125-L127 PolarHBondContact O-N 2.81Å; L127-H129 PolarHBondContact O-N 3.49Å; L127-C130 PolarHBondContact O-N 2.94Å; L127-S131 WeakPolarHBondContact O-CB 3.47Å; L127-S131 PolarHBondContact O-N 3.47Å; L127-S131 PolarHBondContact O-OG 2.76Å
128N97.4Very high97.1Very high0 Ų030.6 Ų30.60%018%0.175CC..Hα-helixtrans-61.6-40.8176-65.7-7.8000112.9A20 H21 I92 W94 H126 S131 I132A20-N128 HydrophobicContact CB-CB 3.82Å; H21-N128 PolarHBondContact NE2-ND2 2.92Å; I92-N128 PolarHBondContact O-OD1 2.9Å; I92-N128 VanDerWaalsContact O-OD1 3.11Å; W94-N128 HydrophobicContact CD2-CB 4.5Å; W94-N128 VanDerWaalsContact CE2-CG 3.45Å; W94-N128 HydrophobicContact CE3-CB 4.49Å; W94-N128 HydrophobicContact CH2-CB 3.56Å; W94-N128 HydrophobicContact CZ2-CB 3.5Å; W94-N128 WeakPolarHBondContact CZ2-ND2 3.42Å; W94-N128 HydrophobicContact CZ3-CB 4.04Å; W94-N128 PolarHBondContact NE1-OD1 2.81Å; H126-N128 VanDerWaalsContact C-N 3.27Å; H126-N128 PolarHBondContact ND1-N 2.81Å; H126-N128 PolarHBondContact O-N 2.79Å; N128-S131 WeakPolarHBondContact O-CB 3.41Å; N128-S131 PolarHBondContact O-N 3.48Å; N128-I132 WeakPolarHBondContact O-CG1 3.12Å; N128-I132 PolarHBondContact O-N 3.36Å
129H98Very high97.1Very high4 Ų430.6 Ų30.62%0.01918%0.175CC..Hα-helixtrans-66.4-46.3176.7-59.7173.5000110.5A20 H21 D24 F28 F118 G122 H126 L127 S131 I132 H133A20-H129 VanDerWaalsContact CB-CD2 3.47Å; A20-H129 WeakPolarHBondContact CB-CD2 3.48Å; H21-H129 AromaticContact CE1-CD2 3.6Å; H21-H129 AromaticContact CE1-NE2 3.14Å; H21-H129 PolarHBondContact CE1-NE2 3.48Å; H21-H129 AromaticContact ND1-CD2 3.88Å; H21-H129 AromaticContact ND1-NE2 3.1Å; H21-H129 PolarHBondContact ND1-NE2 3.39Å; D24-H129 IonicContact OD1-CE1 2.75Å; D24-H129 IonicContact OD1-NE2 3.27Å; D24-H129 PolarHBondContact OD1-NE2 2.85Å; D24-H129 IonicContact OD2-CD2 2.94Å; D24-H129 IonicContact OD2-NE2 3.52Å; D24-H129 PolarHBondContact OD2-NE2 2.74Å; F28-H129 AromaticContact CE2-CE1 3.91Å; F118-H129 HydrophobicContact CB-CB 4.04Å; F118-H129 HydrophobicContact CD1-CB 4.24Å; F118-H129 AromaticContact CD1-ND1 3.97Å; F118-H129 HydrophobicContact CD2-CB 3.69Å; F118-H129 AromaticContact CD2-CG 3.78Å; F118-H129 AromaticContact CE1-CE1 3.88Å; F118-H129 AromaticContact CE1-CG 4Å; F118-H129 AromaticContact CE1-ND1 3.72Å; F118-H129 HydrophobicContact CE2-CB 4.12Å; F118-H129 AromaticContact CE2-CD2 3.51Å; F118-H129 AromaticContact CE2-CG 3.7Å; F118-H129 HydrophobicContact CG-CB 3.73Å; F118-H129 AromaticContact CG-CG 3.95Å; F118-H129 AromaticContact CZ-CD2 3.68Å; F118-H129 AromaticContact CZ-CE1 3.75Å; F118-H129 AromaticContact CZ-CG 3.8Å; F118-H129 AromaticContact CZ-ND1 3.84Å; F118-H129 AromaticContact CZ-NE2 3.7Å; G122-H129 VanDerWaalsContact CA-CB 3.48Å; G122-H129 PolarHBondContact O-ND1 3.05Å; H126-H129 HydrophobicContact CB-CB 4.44Å; H126-H129 WeakPolarHBondContact O-CB 3.36Å; H126-H129 PolarHBondContact O-N 2.81Å; L127-H129 PolarHBondContact O-N 3.49Å; H129-S131 PolarHBondContact O-N 3.17Å; H129-I132 WeakPolarHBondContact O-CB 3.13Å; H129-I132 PolarHBondContact O-N 3.09Å; H129-H133 PolarHBondContact O-N 2.9Å
130C97.6Very high97Very high30 Ų3031.4 Ų31.420%0.20318%0.179CC..Hα-helixtrans-62.6-34.3177.2-58.10000111.8Q120 H126 L127 H133 S134Q120-C130 PolarHBondContact O-SG 3.42Å; Q120-C130 VanDerWaalsContact O-SG 3.4Å; H126-C130 PolarHBondContact O-N 3.35Å; H126-C130 VanDerWaalsContact O-N 3.1Å; H126-C130 PolarHBondContact O-SG 3.44Å; H126-C130 VanDerWaalsContact O-SG 3.41Å; L127-C130 PolarHBondContact O-N 2.94Å; C130-H133 PolarHBondContact O-N 3.49Å; C130-S134 WeakPolarHBondContact O-CB 3.37Å; C130-S134 PolarHBondContact O-N 3.06Å
131S97.6Very high97Very high3 Ų334.1 Ų34.12%0.02118%0.184CC..Hα-helixtrans-61.2-46.2176.1-62.50000110.6S93 W94 L127 N128 H129 H133 S134 S135S93-S131 PolarHBondContact OG-OG 3.36Å; W94-S131 PolarHBondContact N-OG 2.55Å; L127-S131 WeakPolarHBondContact O-CB 3.47Å; L127-S131 PolarHBondContact O-N 3.47Å; L127-S131 PolarHBondContact O-OG 2.76Å; N128-S131 WeakPolarHBondContact O-CB 3.41Å; N128-S131 PolarHBondContact O-N 3.48Å; H129-S131 PolarHBondContact O-N 3.17Å; S131-H133 PolarHBondContact O-N 3.39Å; S131-S134 PolarHBondContact O-N 2.96Å; S131-S134 PolarHBondContact O-OG 3Å; S131-S135 PolarHBondContact O-N 3.22Å; S131-S135 PolarHBondContact O-OG 3.35Å
132I98.3Very high96.9Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-57.5-51.3175.7-62.6165.3000110.9V18 A20 L48 W94 T117 F118 N128 H129 S134 S135 F136V18-I132 HydrophobicContact CB-CG2 4.29Å; V18-I132 HydrophobicContact CG1-CD1 4.24Å; V18-I132 HydrophobicContact CG1-CG1 4.47Å; V18-I132 HydrophobicContact CG1-CG2 3.77Å; A20-I132 HydrophobicContact CB-CD1 3.9Å; L48-I132 HydrophobicContact CD1-CD1 4.01Å; L48-I132 HydrophobicContact CD1-CG1 3.64Å; W94-I132 HydrophobicContact CZ3-CD1 4.17Å; W94-I132 HydrophobicContact CZ3-CG1 3.89Å; T117-I132 HydrophobicContact CG2-CG2 4.18Å; T117-I132 WeakPolarHBondContact OG1-CG2 3.34Å; F118-I132 HydrophobicContact CD2-CD1 4.25Å; F118-I132 HydrophobicContact CE2-CD1 4.32Å; N128-I132 WeakPolarHBondContact O-CG1 3.12Å; N128-I132 PolarHBondContact O-N 3.36Å; H129-I132 WeakPolarHBondContact O-CB 3.13Å; H129-I132 PolarHBondContact O-N 3.09Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 3.23Å; I132-S135 PolarHBondContact O-N 2.9Å; I132-F136 HydrophobicContact CG2-CD2 3.83Å; I132-F136 HydrophobicContact CG2-CE2 3.68Å; I132-F136 WeakPolarHBondContact O-CD2 3.46Å; I132-F136 PolarHBondContact O-N 3.48Å; I132-F136 VanDerWaalsContact O-N 3.12Å
133H98.4Very high96.9Very high20 Ų2041.2 Ų41.29%0.09322%0.219CC..Hα-helixtrans-55.6-49.5178.1174.7-92.9000111.6F118 D119 Q120 H129 C130 S131 S135 F136 C137F118-H133 PolarHBondContact O-CD2 2.83Å; D119-H133 VanDerWaalsContact C-CG 3.44Å; D119-H133 WeakPolarHBondContact O-CB 3.31Å; Q120-H133 WeakPolarHBondContact CA-ND1 3.49Å; Q120-H133 VanDerWaalsContact CB-CE1 3.42Å; Q120-H133 WeakPolarHBondContact CB-CE1 3.4Å; Q120-H133 PolarHBondContact N-CD2 3.47Å; Q120-H133 VanDerWaalsContact N-CD2 3.32Å; Q120-H133 PolarHBondContact N-NE2 3.32Å; H129-H133 PolarHBondContact O-N 2.9Å; C130-H133 PolarHBondContact O-N 3.49Å; S131-H133 PolarHBondContact O-N 3.39Å; H133-S135 VanDerWaalsContact C-N 3.27Å; H133-S135 PolarHBondContact O-N 3.09Å; H133-F136 PolarHBondContact O-N 3.14Å; H133-F136 VanDerWaalsContact O-N 3.15Å; H133-C137 PolarHBondContact CE1-SG 3.18Å; H133-C137 PolarHBondContact O-N 3.41Å; H133-C137 PolarHBondContact O-SG 2.96Å
134S98Very high97Very high37 Ų3744.3 Ų44.326%0.25923%0.23SC..Hα-helixtrans-59.9-36.8-179.178.70000112.5Q96 C130 S131 I132 C137 Q138Q96-S134 VanDerWaalsContact NE2-C 3.31Å; Q96-S134 PolarHBondContact NE2-O 3.08Å; C130-S134 WeakPolarHBondContact O-CB 3.37Å; C130-S134 PolarHBondContact O-N 3.06Å; S131-S134 PolarHBondContact O-N 2.96Å; S131-S134 PolarHBondContact O-OG 3Å; I132-S134 VanDerWaalsContact C-N 3.33Å; I132-S134 PolarHBondContact O-N 3.23Å; S134-C137 PolarHBondContact O-N 3.47Å; S134-Q138 PolarHBondContact O-N 2.94Å
135S98.3Very high97.2Very high0 Ų041.7 Ų41.70%021%0.209CC..Hα-helixtrans-67.8-39.8176.9-66.10000112Q96 V99 T100 S131 I132 H133 Q138 L139Q96-S135 PolarHBondContact O-OG 3.13Å; V99-S135 WeakPolarHBondContact CB-OG 3.49Å; V99-S135 WeakPolarHBondContact CG1-OG 3.37Å; T100-S135 WeakPolarHBondContact OG1-CA 3.28Å; T100-S135 WeakPolarHBondContact OG1-CB 3.48Å; S131-S135 PolarHBondContact O-N 3.22Å; S131-S135 PolarHBondContact O-OG 3.35Å; I132-S135 PolarHBondContact O-N 2.9Å; H133-S135 VanDerWaalsContact C-N 3.27Å; H133-S135 PolarHBondContact O-N 3.09Å; S135-Q138 WeakPolarHBondContact O-CB 3.43Å; S135-Q138 PolarHBondContact O-N 3.45Å; S135-L139 WeakPolarHBondContact O-CG 3.41Å; S135-L139 PolarHBondContact O-N 3.4Å
136F98.5Very high97.2Very high0 Ų041.1 Ų41.10%020%0.197CC..Hα-helixtrans-65.8-40.4172.8-81.6-65.3000112.9V18 L103 M107 V115 T117 I132 H133 Q138 L139 L140 M145 L151V18-F136 HydrophobicContact CB-CE2 4.27Å; V18-F136 HydrophobicContact CG2-CE2 4.09Å; V18-F136 HydrophobicContact CG2-CZ 3.91Å; L103-F136 HydrophobicContact CB-CZ 4.41Å; L103-F136 HydrophobicContact CD1-CD2 4.09Å; L103-F136 HydrophobicContact CD1-CE1 4.3Å; L103-F136 HydrophobicContact CD1-CE2 3.68Å; L103-F136 HydrophobicContact CD1-CZ 3.77Å; L103-F136 HydrophobicContact CD2-CE2 4.44Å; L103-F136 HydrophobicContact CD2-CZ 4.13Å; L103-F136 HydrophobicContact CG-CZ 4.33Å; M107-F136 HydrophobicContact CE-CE1 4.21Å; M107-F136 HydrophobicContact SD-CE1 3.91Å; V115-F136 HydrophobicContact CB-CE1 4.48Å; V115-F136 HydrophobicContact CG1-CE1 3.78Å; V115-F136 HydrophobicContact CG1-CE2 3.93Å; V115-F136 HydrophobicContact CG1-CZ 3.42Å; V115-F136 VanDerWaalsContact CG1-CZ 3.42Å; V115-F136 HydrophobicContact CG2-CE1 4.25Å; T117-F136 HydrophobicContact CG2-CD2 3.73Å; T117-F136 HydrophobicContact CG2-CE2 3.87Å; I132-F136 HydrophobicContact CG2-CD2 3.83Å; I132-F136 HydrophobicContact CG2-CE2 3.68Å; I132-F136 WeakPolarHBondContact O-CD2 3.46Å; I132-F136 PolarHBondContact O-N 3.48Å; I132-F136 VanDerWaalsContact O-N 3.12Å; H133-F136 PolarHBondContact O-N 3.14Å; H133-F136 VanDerWaalsContact O-N 3.15Å; F136-Q138 PolarHBondContact O-N 3.33Å; F136-L139 HydrophobicContact CD1-CD1 3.87Å; F136-L139 HydrophobicContact CE1-CD1 4.15Å; F136-L139 WeakPolarHBondContact O-CB 3.37Å; F136-L139 PolarHBondContact O-N 3.01Å; F136-L139 VanDerWaalsContact O-N 3.13Å; F136-L140 PolarHBondContact O-N 2.95Å; F136-M145 HydrophobicContact CD1-CE 4.43Å; F136-M145 HydrophobicContact CD1-SD 4.08Å; F136-L151 HydrophobicContact CB-CD1 4.4Å; F136-L151 HydrophobicContact CB-CD2 3.57Å; F136-L151 HydrophobicContact CD1-CD1 4.07Å; F136-L151 HydrophobicContact CD1-CD2 4.27Å; F136-L151 HydrophobicContact CD2-CD1 4.31Å; F136-L151 HydrophobicContact CE1-CD1 4.47Å; F136-L151 HydrophobicContact CG-CD1 4.01Å; F136-L151 HydrophobicContact CG-CD2 4.05Å
137C98Very high96.8Very high32 Ų3248.7 Ų48.722%0.21623%0.23CC..Hα-helixtrans-59.7-35.3172-65.80000112.1H133 S134 R141H133-C137 PolarHBondContact CE1-SG 3.18Å; H133-C137 PolarHBondContact O-N 3.41Å; H133-C137 PolarHBondContact O-SG 2.96Å; S134-C137 PolarHBondContact O-N 3.47Å; C137-R141 WeakPolarHBondContact O-CB 3.12Å; C137-R141 PolarHBondContact O-N 3.47Å
138Q97.9Very high96.5Very high30 Ų3053.9 Ų53.914%0.1425%0.252CS..Hα-helixtrans-67-43.7173.9-179.2176.9-20.600111.7Q96 T100 S134 S135 F136 L140 R141 Q142Q96-Q138 VanDerWaalsContact CG-OE1 3.25Å; T100-Q138 HydrophobicContact CG2-CG 4.27Å; S134-Q138 PolarHBondContact O-N 2.94Å; S135-Q138 WeakPolarHBondContact O-CB 3.43Å; S135-Q138 PolarHBondContact O-N 3.45Å; F136-Q138 PolarHBondContact O-N 3.33Å; Q138-L140 VanDerWaalsContact C-N 3.35Å; Q138-L140 PolarHBondContact O-N 3.11Å; Q138-R141 PolarHBondContact O-N 2.95Å; Q138-Q142 HydrophobicContact CG-CG 4.27Å; Q138-Q142 VanDerWaalsContact O-CB 3.29Å; Q138-Q142 WeakPolarHBondContact O-CB 3.33Å; Q138-Q142 VanDerWaalsContact O-CG 3.28Å; Q138-Q142 WeakPolarHBondContact O-CG 3.32Å; Q138-Q142 PolarHBondContact O-N 2.95Å
139L98Very high96.4Very high0 Ų054.7 Ų54.70%026%0.257CS..Hα-helixtrans-58.6-44.9175.6-70.8168.2000112T100 L103 E104 M107 S135 F136 Q142 H143 R144 M145T100-L139 HydrophobicContact CG2-CD2 3.52Å; T100-L139 HydrophobicContact CG2-CG 3.8Å; L103-L139 HydrophobicContact CB-CD1 4.19Å; E104-L139 HydrophobicContact CB-CD2 3.9Å; E104-L139 HydrophobicContact CG-CD2 4.41Å; M107-L139 HydrophobicContact CE-CD1 3.66Å; S135-L139 WeakPolarHBondContact O-CG 3.41Å; S135-L139 PolarHBondContact O-N 3.4Å; F136-L139 HydrophobicContact CD1-CD1 3.87Å; F136-L139 HydrophobicContact CE1-CD1 4.15Å; F136-L139 WeakPolarHBondContact O-CB 3.37Å; F136-L139 PolarHBondContact O-N 3.01Å; F136-L139 VanDerWaalsContact O-N 3.13Å; L139-Q142 PolarHBondContact O-N 3.31Å; L139-H143 PolarHBondContact O-N 2.86Å; L139-H143 VanDerWaalsContact O-N 3.11Å; L139-R144 HydrophobicContact CD2-CB 3.7Å; L139-R144 PolarHBondContact O-N 3.29Å; L139-M145 HydrophobicContact CB-CG 4.09Å; L139-M145 HydrophobicContact CB-SD 3.7Å; L139-M145 HydrophobicContact CD1-SD 4.12Å
140L97.2Very high96.4Very high33 Ų3355.4 Ų55.417%0.17326%0.263CS..Hα-helixtrans-61.5-53.5175.9-74.2170.5000111.4F136 Q138 Q142 H143 M145 L151 L227F136-L140 PolarHBondContact O-N 2.95Å; Q138-L140 VanDerWaalsContact C-N 3.35Å; Q138-L140 PolarHBondContact O-N 3.11Å; L140-Q142 PolarHBondContact O-N 3.2Å; L140-H143 PolarHBondContact O-N 3.27Å; L140-M145 HydrophobicContact CD2-CG 3.62Å; L140-M145 HydrophobicContact CG-CG 4.02Å; L140-L151 HydrophobicContact CD1-CD2 3.78Å; L140-L227 HydrophobicContact CD1-CB 3.89Å
141R96.6Very high96.4Very high172 Ų17254.1 Ų54.165%0.64925%0.254SS*.Hα-helixtrans-57.5-35.8179.7-170.5-175.2-57.9111.22.9112.7C137 Q138 H143C137-R141 WeakPolarHBondContact O-CB 3.12Å; C137-R141 PolarHBondContact O-N 3.47Å; Q138-R141 PolarHBondContact O-N 2.95Å; R141-H143 VanDerWaalsContact C-N 3.34Å; R141-H143 PolarHBondContact O-ND1 3.13Å
142Q96.6Very high96.4Very high90 Ų9055.2 Ų55.242%0.42126%0.258SS..THydrogen-bonded Turntrans-87.72.1179.9-66.4-177.7-21.300113.4Q138 L139 L140 R144Q138-Q142 HydrophobicContact CG-CG 4.27Å; Q138-Q142 VanDerWaalsContact O-CB 3.29Å; Q138-Q142 WeakPolarHBondContact O-CB 3.33Å; Q138-Q142 VanDerWaalsContact O-CG 3.28Å; Q138-Q142 WeakPolarHBondContact O-CG 3.32Å; Q138-Q142 PolarHBondContact O-N 2.95Å; L139-Q142 PolarHBondContact O-N 3.31Å; L140-Q142 PolarHBondContact O-N 3.2Å; Q142-R144 HydrophobicContact CB-CB 4.42Å; Q142-R144 HydrophobicContact CB-CG 3.93Å; Q142-R144 PolarHBondContact O-N 3.02Å
143H95.2Very high96.4Very high173 Ų17355.4 Ų55.480%0.80126%0.259SS*.THydrogen-bonded Turntrans54.436.7-176.4-55.374.4000112.9L139 L140 R141L139-H143 PolarHBondContact O-N 2.86Å; L139-H143 VanDerWaalsContact O-N 3.11Å; L140-H143 PolarHBondContact O-N 3.27Å; R141-H143 VanDerWaalsContact C-N 3.34Å; R141-H143 PolarHBondContact O-ND1 3.13Å
144R96.5Very high96.4Very high70 Ų7054.5 Ų54.526%0.26426%0.255SS..  trans-102.7-1.9-177.8-76.8174.367.7-170.65.3113.6E104 L139 Q142E104-R144 WeakPolarHBondContact OE1-CB 3.3Å; E104-R144 WeakPolarHBondContact OE1-CG 3.11Å; E104-R144 IonicContact OE1-CZ 2.74Å; E104-R144 IonicContact OE1-NE 3.49Å; E104-R144 PolarHBondContact OE1-NE 3.02Å; E104-R144 IonicContact OE1-NH2 3.35Å; E104-R144 IonicContact OE2-CZ 2.91Å; E104-R144 IonicContact OE2-NE 2.94Å; E104-R144 PolarHBondContact OE2-NE 3.2Å; E104-R144 IonicContact OE2-NH2 3.92Å; E104-R144 PolarHBondContact OE2-NH2 3.42Å; L139-R144 HydrophobicContact CD2-CB 3.7Å; L139-R144 PolarHBondContact O-N 3.29Å; Q142-R144 HydrophobicContact CB-CB 4.42Å; Q142-R144 HydrophobicContact CB-CG 3.93Å; Q142-R144 PolarHBondContact O-N 3.02Å
145M97Very high96.3Very high27 Ų2753.6 Ų53.613%0.13325%0.247CC..SBendtrans-61.7137.2165.6-67.6-63.5-71.900108.9M107 F136 L139 L140 T149 L151M107-M145 HydrophobicContact CE-CE 4.4Å; M107-M145 HydrophobicContact CE-SD 3.86Å; M107-M145 HydrophobicContact SD-CE 4.03Å; M107-M145 HydrophobicContact SD-SD 4.26Å; F136-M145 HydrophobicContact CD1-CE 4.43Å; F136-M145 HydrophobicContact CD1-SD 4.08Å; L139-M145 HydrophobicContact CB-CG 4.09Å; L139-M145 HydrophobicContact CB-SD 3.7Å; L139-M145 HydrophobicContact CD1-SD 4.12Å; L140-M145 HydrophobicContact CD2-CG 3.62Å; L140-M145 HydrophobicContact CG-CG 4.02Å; M145-T149 HydrophobicContact CE-CG2 3.77Å; M145-L151 HydrophobicContact CE-CB 4.34Å
146P94.9Very high96.2Very high31 Ų3155.3 Ų55.320%0.20126%0.258CS..PPolyproline II helixtrans-56.4150.1171.2-1727.8000110.4M107 I108 E148 T149M107-P146 HydrophobicContact CB-CG 3.79Å; M107-P146 HydrophobicContact CE-CG 4.47Å; I108-P146 HydrophobicContact CG1-CG 4.16Å; P146-E148 PolarHBondContact O-N 2.98Å; P146-T149 WeakPolarHBondContact CB-OG1 3.31Å; P146-T149 WeakPolarHBondContact O-CB 3.32Å; P146-T149 PolarHBondContact O-N 3.28Å; P146-T149 VanDerWaalsContact O-N 3.11Å; P146-T149 PolarHBondContact O-OG1 3.4Å
147K87.3Confident96Very high203 Ų20356.2 Ų56.288%0.88326%0.263SS*.THydrogen-bonded Turntrans-56.1132.1-176.9-68.9-173.5178.2-176.60109.9T149K147-T149 PolarHBondContact O-N 2.89Å
148E88.9Confident95.8Very high176 Ų17658.1 Ų58.182%0.82228%0.277SS*.THydrogen-bonded Turntrans69.61.5179-53.1176-175.500116.1P146 S150P146-E148 PolarHBondContact O-N 2.98Å; E148-S150 PolarHBondContact O-N 3.29Å
149T96.6Very high95.6Very high17 Ų1762.6 Ų62.610%0.10430%0.301CS..  trans-68.4120.9176.1-55.90000110.9M107 I112 D113 V115 M145 P146 K147M107-T149 HydrophobicContact SD-CG2 4.33Å; I112-T149 HydrophobicContact CG2-CG2 4.32Å; I112-T149 PolarHBondContact O-OG1 3.15Å; D113-T149 CarbonylContact O-C 3.14Å; D113-T149 VanDerWaalsContact O-CA 3.25Å; D113-T149 WeakPolarHBondContact O-CA 2.95Å; V115-T149 HydrophobicContact CG2-CG2 3.89Å; M145-T149 HydrophobicContact CE-CG2 3.77Å; P146-T149 WeakPolarHBondContact CB-OG1 3.31Å; P146-T149 WeakPolarHBondContact O-CB 3.32Å; P146-T149 PolarHBondContact O-N 3.28Å; P146-T149 VanDerWaalsContact O-N 3.11Å; P146-T149 PolarHBondContact O-OG1 3.4Å; K147-T149 PolarHBondContact O-N 2.89Å
150S96.1Very high95.3Very high20 Ų2068.4 Ų68.414%0.1434%0.336CS..EExtended strand (participates in β ladder)trans-92.7136.6177.8-61.80000111.6D113 V114 V115 E148 R226D113-S150 PolarHBondContact O-N 3.12Å; V114-S150 CarbonylContact C-O 3.58Å; V114-S150 WeakPolarHBondContact CA-O 3.25Å; V115-S150 PolarHBondContact N-O 2.8Å; E148-S150 PolarHBondContact O-N 3.29Å; S150-R226 PolarHBondContact OG-NH2 2.68Å; S150-R226 VanDerWaalsContact OG-NH2 3.12Å
151L97.9Very high95Very high2 Ų269.5 Ų69.51%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-108.6127.9177.7176.464.2000111.4V115 T117 F136 L140 M145 V153 R226 L227V115-L151 HydrophobicContact CB-CD1 3.78Å; V115-L151 HydrophobicContact CG1-CD1 3.58Å; T117-L151 HydrophobicContact CG2-CD1 4.17Å; F136-L151 HydrophobicContact CB-CD1 4.4Å; F136-L151 HydrophobicContact CB-CD2 3.57Å; F136-L151 HydrophobicContact CD1-CD1 4.07Å; F136-L151 HydrophobicContact CD1-CD2 4.27Å; F136-L151 HydrophobicContact CD2-CD1 4.31Å; F136-L151 HydrophobicContact CE1-CD1 4.47Å; F136-L151 HydrophobicContact CG-CD1 4.01Å; F136-L151 HydrophobicContact CG-CD2 4.05Å; L140-L151 HydrophobicContact CD1-CD2 3.78Å; M145-L151 HydrophobicContact CE-CB 4.34Å; L151-V153 HydrophobicContact CD1-CG1 4.45Å; L151-V153 HydrophobicContact CG-CG1 4.29Å; L151-R226 WeakPolarHBondContact O-CA 3.28Å; L151-L227 HydrophobicContact CD2-CB 4.04Å; L151-L227 HydrophobicContact CD2-CD1 3.93Å; L151-L227 HydrophobicContact CD2-CG 4.42Å; L151-L227 HydrophobicContact CG-CB 4.33Å; L151-L227 PolarHBondContact O-N 2.65Å
152Y97.7Very high94.9Very high27 Ų2761.9 Ų61.911%0.10631%0.31CS..EExtended strand (participates in β ladder)trans-122.2127.4175.4-68.7-88.6000110.4F10 V114 V115 F116 T117 L182 F224 T225 R226F10-Y152 HydrophobicContact CE1-CE2 4.01Å; F10-Y152 HydrophobicContact CZ-CE2 4.04Å; V114-Y152 HydrophobicContact CG1-CD2 3.65Å; V114-Y152 HydrophobicContact CG1-CE2 3.82Å; V115-Y152 PolarHBondContact O-N 3.36Å; F116-Y152 WeakPolarHBondContact CA-O 3.27Å; F116-Y152 VanDerWaalsContact CD1-CB 3.49Å; F116-Y152 HydrophobicContact CD1-CG 4.31Å; F116-Y152 VanDerWaalsContact CE1-CB 3.43Å; F116-Y152 HydrophobicContact CE1-CD2 4.02Å; F116-Y152 AromaticContact CE1-CG 3.77Å; F116-Y152 HydrophobicContact CE1-CG 3.77Å; F116-Y152 HydrophobicContact CZ-CD2 4.21Å; F116-Y152 HydrophobicContact CZ-CG 4.38Å; T117-Y152 PolarHBondContact N-O 3.36Å; T117-Y152 VanDerWaalsContact N-O 3.08Å; Y152-L182 HydrophobicContact CD1-CB 4.31Å; Y152-L182 HydrophobicContact CD1-CD2 3.91Å; Y152-L182 HydrophobicContact CE1-CB 4.24Å; Y152-L182 HydrophobicContact CE1-CD2 4.06Å; Y152-L182 HydrophobicContact CG-CD2 4.31Å; Y152-F224 HydrophobicContact CD1-CB 4.24Å; Y152-T225 WeakPolarHBondContact CA-O 3.36Å; Y152-R226 HydrophobicContact CD1-CB 3.97Å; Y152-R226 HydrophobicContact CD1-CG 4.44Å; Y152-R226 HydrophobicContact CE1-CB 3.71Å; Y152-R226 HydrophobicContact CE1-CG 4.04Å
153V98.4Very high94.7Very high4 Ų462.7 Ų62.72%0.02431%0.309CS..EExtended strand (participates in β ladder)trans-112.3133.5-179.7-61.30000110.9T117 F118 D119 L151 D155 F224 T225 L227T117-V153 HydrophobicContact CG2-CG1 4.19Å; T117-V153 CarbonylContact O-C 3.59Å; T117-V153 WeakPolarHBondContact O-CA 3.47Å; F118-V153 WeakPolarHBondContact O-CG1 3.41Å; D119-V153 HydrophobicContact CB-CB 4.06Å; D119-V153 HydrophobicContact CB-CG2 3.95Å; L151-V153 HydrophobicContact CD1-CG1 4.45Å; L151-V153 HydrophobicContact CG-CG1 4.29Å; V153-D155 PolarHBondContact O-N 3.35Å; V153-F224 VanDerWaalsContact O-CA 3.26Å; V153-F224 WeakPolarHBondContact O-CA 3.16Å; V153-F224 WeakPolarHBondContact O-CD1 3.32Å; V153-T225 WeakPolarHBondContact CG2-O 3.39Å; V153-T225 PolarHBondContact N-O 2.91Å; V153-T225 PolarHBondContact O-N 2.64Å; V153-L227 HydrophobicContact CB-CD1 4.48Å; V153-L227 HydrophobicContact CG1-CD1 3.58Å; V153-L227 HydrophobicContact CG1-CG 4.03Å; V153-L227 HydrophobicContact CG2-CD1 4.05Å; V153-L227 HydrophobicContact CG2-CD2 4.09Å; V153-L227 HydrophobicContact CG2-CG 3.91Å
154L98.1Very high94.5Very high0 Ų055.8 Ų55.80%028%0.282CS..EExtended strand (participates in β ladder)trans-71.6122.5-178.4179.362.3000109.5F28 F29 T117 D119 I123 T156 Y218 N222 F224F28-L154 HydrophobicContact CB-CD2 4.01Å; F29-L154 HydrophobicContact CD1-CD2 4.32Å; F29-L154 HydrophobicContact CE1-CB 3.93Å; F29-L154 HydrophobicContact CE1-CD2 3.81Å; F29-L154 HydrophobicContact CE1-CG 4.43Å; F29-L154 HydrophobicContact CE2-CD2 4.33Å; F29-L154 HydrophobicContact CZ-CB 4.15Å; F29-L154 HydrophobicContact CZ-CD2 3.81Å; T117-L154 WeakPolarHBondContact O-CB 3.49Å; T117-L154 PolarHBondContact O-N 3.41Å; D119-L154 WeakPolarHBondContact CB-O 3.48Å; D119-L154 VanDerWaalsContact CG-O 3.28Å; D119-L154 PolarHBondContact N-O 3.37Å; I123-L154 HydrophobicContact CD1-CD2 3.72Å; I123-L154 HydrophobicContact CG1-CD2 4.43Å; L154-T156 PolarHBondContact O-N 3.19Å; L154-Y218 HydrophobicContact CD1-CD1 4.2Å; L154-Y218 HydrophobicContact CD1-CE1 4.07Å; L154-Y218 HydrophobicContact CD2-CD1 4.1Å; L154-Y218 HydrophobicContact CD2-CE1 4.12Å; L154-Y218 HydrophobicContact CG-CD1 4.4Å; L154-Y218 HydrophobicContact CG-CE1 4.05Å; L154-N222 HydrophobicContact CD1-CB 3.82Å; L154-F224 HydrophobicContact CB-CD1 4.11Å; L154-F224 HydrophobicContact CB-CE1 3.62Å; L154-F224 HydrophobicContact CB-CZ 4.17Å; L154-F224 HydrophobicContact CD1-CE1 4.13Å; L154-F224 HydrophobicContact CD1-CE2 4.16Å; L154-F224 HydrophobicContact CD1-CZ 3.89Å; L154-F224 HydrophobicContact CG-CE1 4.45Å
155D95.7Very high94Very high18 Ų1852.6 Ų52.610%0.09627%0.271CS..PPolyproline II helixtrans-65121.5-178-71.2-16.8000111.4V153 K181 Y218 Q223 T225V153-D155 PolarHBondContact O-N 3.35Å; D155-K181 VanDerWaalsContact CG-NZ 3.33Å; D155-K181 IonicContact OD1-NZ 3.77Å; D155-K181 PolarHBondContact OD1-NZ 3.34Å; D155-K181 WeakPolarHBondContact OD2-CD 3.34Å; D155-K181 IonicContact OD2-NZ 3.19Å; D155-K181 PolarHBondContact OD2-NZ 3.5Å; D155-Y218 WeakPolarHBondContact O-CE1 3.46Å; D155-Y218 PolarHBondContact O-OH 2.91Å; D155-Q223 WeakPolarHBondContact CB-O 3.3Å; D155-Q223 PolarHBondContact N-O 3.01Å; D155-Q223 WeakPolarHBondContact OD2-CG 3.36Å; D155-T225 PolarHBondContact OD1-OG1 3.06Å
156T97.3Very high93.3Very high37 Ų3755.9 Ų55.923%0.22729%0.289CS..PPolyproline II helixtrans-76.1123.6165.2-64.40000109.8D119 F121 I123 L154 Y218D119-T156 VanDerWaalsContact CG-OG1 3.27Å; D119-T156 WeakPolarHBondContact OD1-CB 3.32Å; D119-T156 PolarHBondContact OD1-OG1 3.47Å; D119-T156 VanDerWaalsContact OD2-CB 3.27Å; D119-T156 WeakPolarHBondContact OD2-CB 3.32Å; D119-T156 PolarHBondContact OD2-N 3.1Å; D119-T156 PolarHBondContact OD2-OG1 3.22Å; F121-T156 HydrophobicContact CB-CG2 3.67Å; I123-T156 WeakPolarHBondContact CA-OG1 3.48Å; I123-T156 PolarHBondContact N-OG1 3.22Å; L154-T156 PolarHBondContact O-N 3.19Å; T156-Y218 WeakPolarHBondContact CA-OH 3.46Å
157V94.1Very high92.7Very high19 Ų1962.2 Ų62.212%0.11531%0.313CS..  trans-106.5163.2177.6-58.80000111.8R161 K162 R217 Y218V157-R161 HydrophobicContact CB-CB 3.92Å; V157-R161 HydrophobicContact CG2-CB 3.81Å; V157-K162 HydrophobicContact CG2-CB 4.1Å; V157-R217 HydrophobicContact CG2-CG 4.3Å; V157-Y218 HydrophobicContact CG2-CE2 4.49Å; V157-Y218 PolarHBondContact N-OH 3.37Å
158S93.8Very high92.6Very high72 Ų7252.6 Ų52.650%0.50327%0.271SS..  trans-58.1154.517467.70000111.8V160 R161 K162S158-V160 PolarHBondContact O-N 2.92Å; S158-R161 CarbonylContact O-C 3.55Å; S158-R161 PolarHBondContact O-N 2.94Å; S158-K162 WeakPolarHBondContact O-CB 3.38Å; S158-K162 PolarHBondContact O-N 3.29Å
159L92.7Very high92.2Very high123 Ų12346.7 Ų46.764%0.64424%0.243SC*.Hα-helixtrans-55.3-37.5-179.2-71.9174.4000113.2K162 Y163L159-K162 HydrophobicContact CD2-CD 4.27Å; L159-K162 WeakPolarHBondContact O-CB 3.5Å; L159-K162 PolarHBondContact O-N 3.33Å; L159-Y163 HydrophobicContact CD2-CE2 4.45Å; L159-Y163 WeakPolarHBondContact O-CD2 3.46Å; L159-Y163 PolarHBondContact O-N 3.02Å; L159-Y163 VanDerWaalsContact O-N 3.16Å
160V91.9Very high91.5Very high122 Ų12250.8 Ų50.874%0.73927%0.268SS*.Hα-helixtrans-61.2-47.9176.6178.70000110.6S158 Y163 A164S158-V160 PolarHBondContact O-N 2.92Å; V160-Y163 PolarHBondContact O-N 2.93Å; V160-A164 PolarHBondContact O-N 3.2Å; V160-A164 VanDerWaalsContact O-N 3.1Å
161R92.1Very high90.8Very high56 Ų5653.8 Ų53.821%0.21128%0.282CS..Hα-helixtrans-69.6-34.7177.2-71.7-170.664.6-154.3-4.1112.4V157 S158 Y163 A164 D168 L171V157-R161 HydrophobicContact CB-CB 3.92Å; V157-R161 HydrophobicContact CG2-CB 3.81Å; S158-R161 CarbonylContact O-C 3.55Å; S158-R161 PolarHBondContact O-N 2.94Å; R161-Y163 PolarHBondContact O-N 3.1Å; R161-A164 PolarHBondContact O-N 3.26Å; R161-D168 IonicContact CZ-OD1 3.83Å; R161-D168 IonicContact CZ-OD2 3.47Å; R161-D168 IonicContact NE-OD1 3.89Å; R161-D168 PolarHBondContact NE-OD1 3.08Å; R161-D168 IonicContact NE-OD2 2.85Å; R161-D168 IonicContact NH2-OD1 3.23Å; R161-D168 PolarHBondContact NH2-OD1 2.95Å; R161-D168 IonicContact NH2-OD2 3.43Å; R161-D168 PolarHBondContact NH2-OD2 2.85Å; R161-L171 HydrophobicContact CG-CD1 4.26Å
162K93.1Very high89.9Confident13 Ų1354.4 Ų54.46%0.05729%0.285CS..Hα-helixtrans-55.2-42.7176.8-176.9173.2-177.4174.60110.6V157 S158 L159 S216 R217 Y218V157-K162 HydrophobicContact CG2-CB 4.1Å; S158-K162 WeakPolarHBondContact O-CB 3.38Å; S158-K162 PolarHBondContact O-N 3.29Å; L159-K162 HydrophobicContact CD2-CD 4.27Å; L159-K162 WeakPolarHBondContact O-CB 3.5Å; L159-K162 PolarHBondContact O-N 3.33Å; K162-S216 CarbonylContact O-C 3.59Å; K162-S216 VanDerWaalsContact O-CA 3.24Å; K162-S216 WeakPolarHBondContact O-CA 3.46Å; K162-R217 PolarHBondContact O-N 3.14Å; K162-Y218 HydrophobicContact CD-CE2 4.47Å; K162-Y218 HydrophobicContact CG-CD2 4.4Å; K162-Y218 HydrophobicContact CG-CE2 4.04Å
163Y93.6Very high89Confident106 Ų10660 Ų6042%0.41631%0.31SS..THydrogen-bonded Turntrans-10212.2-178.9-66.4-75.2000114.5L159 V160 R161 G165 Y212 Y215L159-Y163 HydrophobicContact CD2-CE2 4.45Å; L159-Y163 WeakPolarHBondContact O-CD2 3.46Å; L159-Y163 PolarHBondContact O-N 3.02Å; L159-Y163 VanDerWaalsContact O-N 3.16Å; V160-Y163 PolarHBondContact O-N 2.93Å; R161-Y163 PolarHBondContact O-N 3.1Å; Y163-G165 PolarHBondContact O-N 2.98Å; Y163-Y212 HydrophobicContact CE1-CD2 4.43Å; Y163-Y215 CarbonylContact C-O 3.54Å; Y163-Y215 VanDerWaalsContact CA-O 3.26Å; Y163-Y215 WeakPolarHBondContact CA-O 3.38Å
164A89.9Confident88Confident28 Ų2863.1 Ų63.123%0.23134%0.337CS..  trans-74.1-10.8173.700000112.7V160 R161 I166 F167 D168V160-A164 PolarHBondContact O-N 3.2Å; V160-A164 VanDerWaalsContact O-N 3.1Å; R161-A164 PolarHBondContact O-N 3.26Å; A164-I166 PolarHBondContact O-N 3.5Å; A164-F167 WeakPolarHBondContact O-CB 3.48Å; A164-F167 WeakPolarHBondContact O-CD2 3.49Å; A164-F167 PolarHBondContact O-N 2.88Å; A164-D168 HydrophobicContact CB-CB 4.26Å
165G86.6Confident86.9Confident3 Ų366.9 Ų66.93%0.03135%0.354CS..G310 helixtrans53.1-130.4178.400000112.5Y163 F167 D168 Y215Y163-G165 PolarHBondContact O-N 2.98Å; G165-F167 PolarHBondContact O-N 2.97Å; G165-D168 PolarHBondContact O-N 3.43Å; G165-Y215 WeakPolarHBondContact CA-O 3.3Å; G165-Y215 PolarHBondContact N-O 3.18Å
166I81.6Confident85.6Confident97 Ų9770.7 Ų70.750%0.49737%0.368SS..G310 helixtrans-66.1-16.5177.9-161.6165.9000113.4A164 D168 F169A164-I166 PolarHBondContact O-N 3.5Å; I166-D168 VanDerWaalsContact C-N 3.26Å; I166-D168 PolarHBondContact O-N 3.02Å; I166-F169 HydrophobicContact CB-CD2 4.43Å; I166-F169 HydrophobicContact CG1-CD2 3.66Å; I166-F169 HydrophobicContact CG1-CE2 3.76Å; I166-F169 WeakPolarHBondContact O-CB 3.47Å; I166-F169 WeakPolarHBondContact O-CD2 3.42Å; I166-F169 PolarHBondContact O-N 3.1Å
167F83.3Confident84.3Confident164 Ų16472.4 Ų72.472%0.71939%0.393SS*.G310 helixtrans-74-18177.7-60.7-72.9000112.8A164 G165 F169 V170A164-F167 WeakPolarHBondContact O-CB 3.48Å; A164-F167 WeakPolarHBondContact O-CD2 3.49Å; A164-F167 PolarHBondContact O-N 2.88Å; G165-F167 PolarHBondContact O-N 2.97Å; F167-F169 PolarHBondContact O-N 2.82Å; F167-F169 VanDerWaalsContact O-N 3.16Å; F167-V170 PolarHBondContact O-N 3.23Å; F167-V170 VanDerWaalsContact O-N 3.15Å
168D84.6Confident83.3Confident1 Ų178.9 Ų78.91%0.00543%0.426CS..Hα-helixtrans-65.4-16.1174-158.256000112.2R161 A164 G165 I166 V170 L171 I172 R217R161-D168 IonicContact CZ-OD1 3.83Å; R161-D168 IonicContact CZ-OD2 3.47Å; R161-D168 IonicContact NE-OD1 3.89Å; R161-D168 PolarHBondContact NE-OD1 3.08Å; R161-D168 IonicContact NE-OD2 2.85Å; R161-D168 IonicContact NH2-OD1 3.23Å; R161-D168 PolarHBondContact NH2-OD1 2.95Å; R161-D168 IonicContact NH2-OD2 3.43Å; R161-D168 PolarHBondContact NH2-OD2 2.85Å; A164-D168 HydrophobicContact CB-CB 4.26Å; G165-D168 PolarHBondContact O-N 3.43Å; I166-D168 VanDerWaalsContact C-N 3.26Å; I166-D168 PolarHBondContact O-N 3.02Å; D168-V170 PolarHBondContact O-N 2.81Å; D168-L171 PolarHBondContact O-N 2.72Å; D168-L171 WeakPolarHBondContact OD1-CD1 3.48Å; D168-I172 PolarHBondContact O-N 3.3Å; D168-I172 VanDerWaalsContact O-N 3.08Å; D168-R217 HydrophobicContact CB-CB 4.24Å; D168-R217 WeakPolarHBondContact OD2-CD 3.46Å; D168-R217 IonicContact OD2-CZ 3.8Å; D168-R217 IonicContact OD2-NE 2.72Å; D168-R217 IonicContact OD2-NH1 3.62Å; D168-R217 PolarHBondContact OD2-NH1 2.82Å
169F81.4Confident82.6Confident51 Ų5177.5 Ų77.522%0.22442%0.417CS..Hα-helixtrans-56.5-34.9171.1-87.3-94.3000112.9M1 I166 F167 L171 I172 F173 I185 F220 I221M1-F169 HydrophobicContact CE-CE1 4.36Å; I166-F169 HydrophobicContact CB-CD2 4.43Å; I166-F169 HydrophobicContact CG1-CD2 3.66Å; I166-F169 HydrophobicContact CG1-CE2 3.76Å; I166-F169 WeakPolarHBondContact O-CB 3.47Å; I166-F169 WeakPolarHBondContact O-CD2 3.42Å; I166-F169 PolarHBondContact O-N 3.1Å; F167-F169 PolarHBondContact O-N 2.82Å; F167-F169 VanDerWaalsContact O-N 3.16Å; F169-L171 VanDerWaalsContact C-N 3.3Å; F169-L171 PolarHBondContact O-N 2.9Å; F169-I172 PolarHBondContact O-N 3.41Å; F169-F173 WeakPolarHBondContact O-CB 3.49Å; F169-F173 PolarHBondContact O-N 3.11Å; F169-I185 HydrophobicContact CD1-CD1 4.34Å; F169-I185 HydrophobicContact CE1-CD1 3.81Å; F169-I185 HydrophobicContact CE1-CG1 4.3Å; F169-I185 HydrophobicContact CE1-CG2 3.46Å; F169-I185 VanDerWaalsContact CE1-CG2 3.46Å; F169-I185 HydrophobicContact CZ-CG2 3.37Å; F169-F220 HydrophobicContact CE2-CB 4.19Å; F169-I221 HydrophobicContact CD1-CD1 4.2Å; F169-I221 HydrophobicContact CD2-CD1 3.4Å; F169-I221 HydrophobicContact CD2-CG1 4.09Å; F169-I221 HydrophobicContact CE1-CD1 4.35Å; F169-I221 HydrophobicContact CE2-CD1 3.58Å; F169-I221 HydrophobicContact CE2-CG1 3.71Å; F169-I221 HydrophobicContact CG-CD1 3.77Å; F169-I221 HydrophobicContact CZ-CD1 4.09Å; F169-I221 HydrophobicContact CZ-CG1 4.02Å
170V81.7Confident82.1Confident104 Ų10479.5 Ų79.563%0.6343%0.428SS*.Hα-helixtrans-63.1-41.6179.7179.20000110.3F167 D168 A174F167-V170 PolarHBondContact O-N 3.23Å; F167-V170 VanDerWaalsContact O-N 3.15Å; D168-V170 PolarHBondContact O-N 2.81Å; V170-A174 WeakPolarHBondContact O-CB 3.49Å; V170-A174 PolarHBondContact O-N 3.05Å
171L80.4Confident82Confident82 Ų8277.5 Ų77.543%0.42941%0.409SS..Hα-helixtrans-69.3-41.8178-66.1177.9000111.8R161 D168 F169 A174 Q175R161-L171 HydrophobicContact CG-CD1 4.26Å; D168-L171 PolarHBondContact O-N 2.72Å; D168-L171 WeakPolarHBondContact OD1-CD1 3.48Å; F169-L171 VanDerWaalsContact C-N 3.3Å; F169-L171 PolarHBondContact O-N 2.9Å; L171-A174 PolarHBondContact O-N 3.31Å; L171-Q175 WeakPolarHBondContact O-CG 3.41Å; L171-Q175 PolarHBondContact O-N 2.83Å; L171-Q175 VanDerWaalsContact O-N 3.12Å
172I80.1Confident81.9Confident15 Ų1575.1 Ų75.18%0.07740%0.401CS..Hα-helixtrans-68.1-39177.8-65.4178.4000110.9D168 F169 Q175 Y176 I221D168-I172 PolarHBondContact O-N 3.3Å; D168-I172 VanDerWaalsContact O-N 3.08Å; F169-I172 PolarHBondContact O-N 3.41Å; I172-Q175 CarbonylContact O-C 3.22Å; I172-Q175 PolarHBondContact O-N 3.38Å; I172-Y176 PolarHBondContact O-N 2.85Å; I172-I221 HydrophobicContact CD1-CB 4.17Å; I172-I221 HydrophobicContact CD1-CD1 3.54Å; I172-I221 HydrophobicContact CD1-CG1 4.41Å; I172-I221 HydrophobicContact CD1-CG2 3.46Å; I172-I221 VanDerWaalsContact CD1-CG2 3.46Å
173F79Confident81.8Confident144 Ų14475.6 Ų75.663%0.63241%0.405SS*.Hα-helixtrans-65-40.2175.7-171.6-93.8000111.6F169 Q175 Y176F169-F173 WeakPolarHBondContact O-CB 3.49Å; F169-F173 PolarHBondContact O-N 3.11Å; F173-Q175 PolarHBondContact O-N 2.72Å; F173-Y176 WeakPolarHBondContact O-CB 3.49Å; F173-Y176 PolarHBondContact O-N 3.25Å
174A77Confident81.8Confident71 Ų7170.5 Ų70.559%0.58739%0.385SS*.Hα-helixtrans-63.4-29.8173.800000112.8V170 L171 Y176V170-A174 WeakPolarHBondContact O-CB 3.49Å; V170-A174 PolarHBondContact O-N 3.05Å; L171-A174 PolarHBondContact O-N 3.31Å; A174-Y176 VanDerWaalsContact C-N 3.34Å
175Q74.5Confident81.8Confident78 Ų7870.2 Ų70.236%0.36438%0.379SS..THydrogen-bonded Turntrans-88.1-3.2174.7-66.2174.210.400113L171 I172 F173 G177 L178 S179L171-Q175 WeakPolarHBondContact O-CG 3.41Å; L171-Q175 PolarHBondContact O-N 2.83Å; L171-Q175 VanDerWaalsContact O-N 3.12Å; I172-Q175 CarbonylContact O-C 3.22Å; I172-Q175 PolarHBondContact O-N 3.38Å; F173-Q175 PolarHBondContact O-N 2.72Å; Q175-G177 PolarHBondContact O-N 2.93Å; Q175-L178 PolarHBondContact O-N 3.36Å; Q175-S179 PolarHBondContact O-N 3.17Å
176Y69.5Low82.1Confident99 Ų9970.4 Ų70.439%0.38838%0.38SS..THydrogen-bonded Turntrans-68.6116.9-172.5-170.8-103.4000110.7K2 I172 F173 A174K2-Y176 WeakPolarHBondContact CA-OH 3.39Å; K2-Y176 WeakPolarHBondContact CB-OH 3.32Å; K2-Y176 PolarHBondContact N-OH 3.22Å; K2-Y176 PolarHBondContact O-OH 3.29Å; K2-Y176 VanDerWaalsContact O-OH 3.09Å; I172-Y176 PolarHBondContact O-N 2.85Å; F173-Y176 WeakPolarHBondContact O-CB 3.49Å; F173-Y176 PolarHBondContact O-N 3.25Å; A174-Y176 VanDerWaalsContact C-N 3.34Å
177G69.3Low82.6Confident73 Ų7367.9 Ų67.975%0.75337%0.371SS*.THydrogen-bonded Turntrans91.5-9-175.900000115.1Q175Q175-G177 PolarHBondContact O-N 2.93Å
178L73.4Confident82.9Confident155 Ų15565.1 Ų65.181%0.81237%0.37SS*.THydrogen-bonded Turntrans-96.5-14170.4-64.2176.6000112.8Q175Q175-L178 PolarHBondContact O-N 3.36Å
179S79Confident83.4Confident43 Ų4371.3 Ų71.330%0.30140%0.401SS..  trans-120129.6-172.3-176.80000110.3Q175 K181Q175-S179 PolarHBondContact O-N 3.17Å; S179-K181 PolarHBondContact O-N 3.49Å; S179-K181 WeakPolarHBondContact OG-CB 3.49Å; S179-K181 VanDerWaalsContact OG-CG 3.31Å; S179-K181 WeakPolarHBondContact OG-CG 3.46Å; S179-K181 PolarHBondContact OG-N 2.99Å
180D82.2Confident84Confident165 Ų16569.3 Ų69.388%0.88239%0.393SS*.  trans-81.78.7173-62.9-41.1000112.6
181K89.1Confident84.6Confident80 Ų8064.9 Ų64.935%0.34837%0.367SS..  trans-69.3135.4-179.5-69.9-175167.1-155.50111.3D155 S179 Q223 F224 T225D155-K181 VanDerWaalsContact CG-NZ 3.33Å; D155-K181 IonicContact OD1-NZ 3.77Å; D155-K181 PolarHBondContact OD1-NZ 3.34Å; D155-K181 WeakPolarHBondContact OD2-CD 3.34Å; D155-K181 IonicContact OD2-NZ 3.19Å; D155-K181 PolarHBondContact OD2-NZ 3.5Å; S179-K181 PolarHBondContact O-N 3.49Å; S179-K181 WeakPolarHBondContact OG-CB 3.49Å; S179-K181 VanDerWaalsContact OG-CG 3.31Å; S179-K181 WeakPolarHBondContact OG-CG 3.46Å; S179-K181 PolarHBondContact OG-N 2.99Å; K181-Q223 HydrophobicContact CB-CG 3.99Å; K181-Q223 HydrophobicContact CD-CG 4.06Å; K181-F224 WeakPolarHBondContact CB-O 3.36Å; K181-T225 WeakPolarHBondContact CE-OG1 3.3Å; K181-T225 PolarHBondContact NZ-OG1 3.46Å
182L91.5Very high85.3Confident6 Ų667 Ų673%0.03138%0.378CS..EExtended strand (participates in β ladder)trans-71.7134.5172.8174.172000109.4L6 V7 F10 F116 Y152 F184 Q223 F224L6-L182 HydrophobicContact CB-CD1 3.83Å; V7-L182 HydrophobicContact CG2-CD1 4.44Å; F10-L182 HydrophobicContact CE2-CD1 3.93Å; F10-L182 HydrophobicContact CE2-CD2 3.71Å; F10-L182 HydrophobicContact CE2-CG 4.47Å; F10-L182 HydrophobicContact CZ-CD1 4.33Å; F10-L182 HydrophobicContact CZ-CD2 3.71Å; F116-L182 HydrophobicContact CE1-CD2 3.59Å; F116-L182 HydrophobicContact CZ-CD2 3.82Å; Y152-L182 HydrophobicContact CD1-CB 4.31Å; Y152-L182 HydrophobicContact CD1-CD2 3.91Å; Y152-L182 HydrophobicContact CE1-CB 4.24Å; Y152-L182 HydrophobicContact CE1-CD2 4.06Å; Y152-L182 HydrophobicContact CG-CD2 4.31Å; L182-F184 HydrophobicContact CD1-CE2 4.45Å; L182-F184 HydrophobicContact CD1-CZ 4.41Å; L182-F184 HydrophobicContact CD2-CE2 3.67Å; L182-F184 HydrophobicContact CD2-CZ 4.09Å; L182-F184 HydrophobicContact CG-CE2 4Å; L182-F184 HydrophobicContact CG-CZ 4.42Å; L182-Q223 CarbonylContact O-C 3.55Å; L182-Q223 WeakPolarHBondContact O-CA 3.12Å; L182-F224 HydrophobicContact CB-CB 4.19Å; L182-F224 HydrophobicContact CD2-CB 4.4Å; L182-F224 HydrophobicContact CD2-CD2 4.5Å; L182-F224 PolarHBondContact N-O 2.97Å; L182-F224 PolarHBondContact O-N 3.05Å
183C90.8Very high86.1Confident22 Ų2267.8 Ų67.815%0.14938%0.382CS..EExtended strand (participates in β ladder)trans-135.8124.3-176-1680000111L3 I221 N222L3-C183 WeakPolarHBondContact CD2-O 3.23Å; L3-C183 WeakPolarHBondContact CG-O 3.05Å; C183-I221 WeakPolarHBondContact SG-CG2 3.33Å; C183-N222 CarbonylContact C-O 3.51Å; C183-N222 VanDerWaalsContact CA-O 3.31Å; C183-N222 WeakPolarHBondContact CA-O 3.32Å
184F92.3Very high87Confident0 Ų061 Ų610%035%0.352CS..EExtended strand (participates in β ladder)trans-106.9133.2170.9-65.7-75.5000109.8V7 F10 P31 T32 N35 L36 F116 L182 I221 N222 F224V7-F184 HydrophobicContact CB-CE1 4.34Å; V7-F184 HydrophobicContact CG1-CE1 3.96Å; V7-F184 HydrophobicContact CG2-CD1 3.91Å; V7-F184 HydrophobicContact CG2-CE1 3.5Å; V7-F184 VanDerWaalsContact CG2-CE1 3.5Å; V7-F184 HydrophobicContact CG2-CZ 4.31Å; F10-F184 HydrophobicContact CD2-CZ 4.36Å; F10-F184 HydrophobicContact CE2-CZ 4.06Å; P31-F184 HydrophobicContact CB-CB 4.25Å; T32-F184 HydrophobicContact CG2-CD2 4Å; T32-F184 HydrophobicContact CG2-CE2 3.8Å; T32-F184 HydrophobicContact CG2-CZ 4.36Å; N35-F184 HydrophobicContact CB-CB 4.46Å; N35-F184 HydrophobicContact CB-CD1 3.41Å; N35-F184 VanDerWaalsContact CB-CD1 3.41Å; N35-F184 HydrophobicContact CB-CE1 4Å; N35-F184 HydrophobicContact CB-CG 4.31Å; L36-F184 HydrophobicContact CD2-CE1 4.15Å; L36-F184 HydrophobicContact CD2-CZ 3.95Å; L36-F184 HydrophobicContact CG-CE1 4.26Å; L36-F184 HydrophobicContact CG-CZ 4.14Å; F116-F184 HydrophobicContact CE1-CE2 4.05Å; F116-F184 HydrophobicContact CZ-CE2 4.04Å; F116-F184 HydrophobicContact CZ-CZ 4.25Å; L182-F184 HydrophobicContact CD1-CE2 4.45Å; L182-F184 HydrophobicContact CD1-CZ 4.41Å; L182-F184 HydrophobicContact CD2-CE2 3.67Å; L182-F184 HydrophobicContact CD2-CZ 4.09Å; L182-F184 HydrophobicContact CG-CE2 4Å; L182-F184 HydrophobicContact CG-CZ 4.42Å; F184-I221 CarbonylContact O-C 3.53Å; F184-I221 VanDerWaalsContact O-CA 3.3Å; F184-I221 WeakPolarHBondContact O-CA 3.47Å; F184-N222 HydrophobicContact CB-CB 4.37Å; F184-N222 PolarHBondContact N-O 3.32Å; F184-N222 PolarHBondContact O-N 2.99Å; F184-F224 HydrophobicContact CD2-CD2 4.03Å; F184-F224 AromaticContact CD2-CE2 3.76Å; F184-F224 HydrophobicContact CD2-CE2 3.76Å; F184-F224 HydrophobicContact CE2-CD2 4.27Å; F184-F224 HydrophobicContact CE2-CE2 4.13Å
185I91.5Very high87.9Confident21 Ų2159.6 Ų59.611%0.10834%0.338CS..EExtended strand (participates in β ladder)trans-130128.6-173.8-72.7178000108.9M1 L3 N35 F169 F220 I221M1-I185 HydrophobicContact CE-CB 4.27Å; M1-I185 HydrophobicContact CE-CD1 3.22Å; M1-I185 HydrophobicContact CE-CG1 4.26Å; M1-I185 HydrophobicContact CE-CG2 4.14Å; L3-I185 HydrophobicContact CD1-CB 4.26Å; L3-I185 HydrophobicContact CD1-CD1 3.69Å; L3-I185 HydrophobicContact CD1-CG1 4.06Å; L3-I185 HydrophobicContact CD2-CB 3.85Å; L3-I185 HydrophobicContact CD2-CG1 4.35Å; N35-I185 PolarHBondContact ND2-O 3.33Å; F169-I185 HydrophobicContact CD1-CD1 4.34Å; F169-I185 HydrophobicContact CE1-CD1 3.81Å; F169-I185 HydrophobicContact CE1-CG1 4.3Å; F169-I185 HydrophobicContact CE1-CG2 3.46Å; F169-I185 VanDerWaalsContact CE1-CG2 3.46Å; F169-I185 HydrophobicContact CZ-CG2 3.37Å; I185-F220 CarbonylContact C-O 3.45Å; I185-F220 WeakPolarHBondContact CA-O 3.4Å; I185-I221 HydrophobicContact CD1-CG2 4.24Å; I185-I221 HydrophobicContact CG1-CB 4.4Å; I185-I221 HydrophobicContact CG1-CG1 4.26Å; I185-I221 HydrophobicContact CG1-CG2 3.69Å
186N92Very high89Confident7 Ų760.7 Ų60.74%0.03734%0.343CS..  trans-81.3137.8174.1-88.5-10.5000111.1P31 D190 S194 M219 F220P31-N186 VanDerWaalsContact CA-OD1 3.24Å; P31-N186 WeakPolarHBondContact CA-OD1 3.31Å; P31-N186 WeakPolarHBondContact CG-ND2 3.47Å; N186-D190 HydrophobicContact CB-CB 3.68Å; N186-D190 VanDerWaalsContact CG-CB 3.42Å; N186-D190 VanDerWaalsContact OD1-CB 3.28Å; N186-D190 WeakPolarHBondContact OD1-CB 3.41Å; N186-S194 PolarHBondContact ND2-OG 3.24Å; N186-M219 PolarHBondContact ND2-O 2.96Å; N186-F220 PolarHBondContact N-O 3.28Å
187S91.5Very high90.3Very high45 Ų4556 Ų5632%0.31532%0.324SS..  trans-68.8164.8159.468.80000110.2I189 D190 A191S187-I189 PolarHBondContact O-N 3.13Å; S187-D190 WeakPolarHBondContact CB-OD2 3.5Å; S187-D190 PolarHBondContact N-OD2 2.62Å; S187-D190 VanDerWaalsContact N-OD2 3.14Å; S187-D190 WeakPolarHBondContact O-CB 3.4Å; S187-D190 PolarHBondContact O-N 2.76Å; S187-D190 PolarHBondContact OG-N 3.04Å; S187-D190 PolarHBondContact OG-OD2 2.89Å; S187-A191 PolarHBondContact O-N 3.27Å
188P90.9Very high91.6Very high106 Ų10652.5 Ų52.569%0.68829%0.289SS*.Hα-helixtrans-54.6-35.8173-28.136.4000113.5A191 L192P188-A191 PolarHBondContact O-N 2.87Å; P188-L192 WeakPolarHBondContact O-CG 3.28Å; P188-L192 PolarHBondContact O-N 2.66Å; P188-L192 VanDerWaalsContact O-N 3.13Å
189I94.4Very high92.7Very high130 Ų13048 Ų4867%0.66727%0.271SS*.Hα-helixtrans-67-41.3176.7-61.7172.8000110.6S187 A191 L192 L193S187-I189 PolarHBondContact O-N 3.13Å; I189-A191 VanDerWaalsContact C-N 3.35Å; I189-L192 WeakPolarHBondContact O-CB 3.29Å; I189-L192 PolarHBondContact O-N 3.38Å; I189-L193 PolarHBondContact O-N 2.91Å
190D95Very high93.6Very high10 Ų1049.1 Ų49.15%0.05327%0.271CS..Hα-helixtrans-68.3-34.9177-63.6-37.3000112.8L34 R38 N186 S187 L192 L193 S194L34-D190 HydrophobicContact CD1-CB 3.71Å; L34-D190 WeakPolarHBondContact CD1-O 3.47Å; R38-D190 IonicContact CZ-OD1 3.75Å; R38-D190 IonicContact CZ-OD2 2.9Å; R38-D190 VanDerWaalsContact CZ-OD2 3.27Å; R38-D190 IonicContact NH1-OD1 3.74Å; R38-D190 IonicContact NH1-OD2 3.41Å; R38-D190 PolarHBondContact NH1-OD2 3.26Å; R38-D190 IonicContact NH2-OD1 2.66Å; R38-D190 PolarHBondContact NH2-OD1 3.17Å; R38-D190 IonicContact NH2-OD2 3.89Å; R38-D190 PolarHBondContact NH2-OD2 2.75Å; N186-D190 HydrophobicContact CB-CB 3.68Å; N186-D190 VanDerWaalsContact CG-CB 3.42Å; N186-D190 VanDerWaalsContact OD1-CB 3.28Å; N186-D190 WeakPolarHBondContact OD1-CB 3.41Å; S187-D190 WeakPolarHBondContact CB-OD2 3.5Å; S187-D190 PolarHBondContact N-OD2 2.62Å; S187-D190 VanDerWaalsContact N-OD2 3.14Å; S187-D190 WeakPolarHBondContact O-CB 3.4Å; S187-D190 PolarHBondContact O-N 2.76Å; S187-D190 PolarHBondContact OG-N 3.04Å; S187-D190 PolarHBondContact OG-OD2 2.89Å; D190-L192 VanDerWaalsContact C-N 3.32Å; D190-L193 PolarHBondContact O-N 3.48Å; D190-S194 WeakPolarHBondContact O-CB 3.34Å; D190-S194 PolarHBondContact O-N 3.39Å; D190-S194 PolarHBondContact O-OG 3.41Å
191A93.8Very high94.3Very high10 Ų1041.2 Ų41.28%0.08323%0.229CC..Hα-helixtrans-62.9-41.7173.600000110.6S187 P188 I189 S194 C195 F220S187-A191 PolarHBondContact O-N 3.27Å; P188-A191 PolarHBondContact O-N 2.87Å; I189-A191 VanDerWaalsContact C-N 3.35Å; A191-S194 WeakPolarHBondContact O-CB 3.32Å; A191-S194 PolarHBondContact O-N 3.02Å; A191-C195 PolarHBondContact O-N 3.5Å; A191-C195 PolarHBondContact O-SG 2.76Å; A191-C195 VanDerWaalsContact O-SG 3.41Å; A191-F220 HydrophobicContact CB-CD1 3.9Å; A191-F220 HydrophobicContact CB-CE1 3.68Å
192L95.5Very high94.5Very high126 Ų12639.7 Ų39.766%0.6624%0.236SC*.Hα-helixtrans-62.1-42.2172.4-67.8174.8000112P188 I189 D190 S194 C195 Q196P188-L192 WeakPolarHBondContact O-CG 3.28Å; P188-L192 PolarHBondContact O-N 2.66Å; P188-L192 VanDerWaalsContact O-N 3.13Å; I189-L192 WeakPolarHBondContact O-CB 3.29Å; I189-L192 PolarHBondContact O-N 3.38Å; D190-L192 VanDerWaalsContact C-N 3.32Å; L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 2.98Å; L192-C195 WeakPolarHBondContact O-CB 3.35Å; L192-C195 PolarHBondContact O-N 3.49Å; L192-Q196 PolarHBondContact O-N 3.39Å
193L96.7Very high94.6Very high33 Ų3340.7 Ų40.717%0.17324%0.244CC..Hα-helixtrans-63.8-34.6175.9-172.358.7000112.1L34 L70 I189 D190 Q196 A197L34-L193 HydrophobicContact CD1-CB 4.31Å; L34-L193 HydrophobicContact CD1-CD2 4.31Å; L34-L193 HydrophobicContact CD1-CG 4.45Å; L34-L193 HydrophobicContact CD2-CD2 3.45Å; L34-L193 VanDerWaalsContact CD2-CD2 3.45Å; L34-L193 HydrophobicContact CD2-CG 4.15Å; L70-L193 HydrophobicContact CD1-CD1 3.67Å; L70-L193 HydrophobicContact CD2-CD1 3.99Å; L70-L193 HydrophobicContact CG-CD1 3.64Å; I189-L193 PolarHBondContact O-N 2.91Å; D190-L193 PolarHBondContact O-N 3.48Å; L193-Q196 PolarHBondContact O-N 3.24Å; L193-A197 WeakPolarHBondContact O-CB 3.47Å; L193-A197 PolarHBondContact O-N 3.29Å
194S96.5Very high94.8Very high0 Ų040.7 Ų40.70%024%0.242CC..Hα-helixtrans-65.9-41.3174-51.90000111.4A30 N186 D190 A191 L192 Q196 A197 M198 M219A30-S194 VanDerWaalsContact CB-OG 3.22Å; A30-S194 WeakPolarHBondContact CB-OG 3.48Å; N186-S194 PolarHBondContact ND2-OG 3.24Å; D190-S194 WeakPolarHBondContact O-CB 3.34Å; D190-S194 PolarHBondContact O-N 3.39Å; D190-S194 PolarHBondContact O-OG 3.41Å; A191-S194 WeakPolarHBondContact O-CB 3.32Å; A191-S194 PolarHBondContact O-N 3.02Å; L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 2.98Å; S194-Q196 VanDerWaalsContact C-N 3.33Å; S194-A197 WeakPolarHBondContact O-CB 3.39Å; S194-A197 PolarHBondContact O-N 3.13Å; S194-M198 PolarHBondContact O-N 3.45Å; S194-M219 VanDerWaalsContact CB-CE 3.42Å
195C96.2Very high94.7Very high42 Ų4244 Ų4428%0.28426%0.259SS..Hα-helixtrans-64.3-38171.6-67.10000112.1A191 L192 A197 M198 S199A191-C195 PolarHBondContact O-N 3.5Å; A191-C195 PolarHBondContact O-SG 2.76Å; A191-C195 VanDerWaalsContact O-SG 3.41Å; L192-C195 WeakPolarHBondContact O-CB 3.35Å; L192-C195 PolarHBondContact O-N 3.49Å; C195-A197 VanDerWaalsContact C-N 3.34Å; C195-M198 PolarHBondContact O-N 2.99Å; C195-S199 PolarHBondContact O-N 3.28Å
196Q97.1Very high94.7Very high101 Ų10145.9 Ų45.947%0.47227%0.271SS..Hα-helixtrans-67.3-35.5175.5-165.2-176.10.500111.6L70 L192 L193 S194 S199L70-Q196 HydrophobicContact CD2-CB 3.88Å; L70-Q196 HydrophobicContact CD2-CG 3.69Å; L192-Q196 PolarHBondContact O-N 3.39Å; L193-Q196 PolarHBondContact O-N 3.24Å; S194-Q196 VanDerWaalsContact C-N 3.33Å; Q196-S199 WeakPolarHBondContact O-CB 3.17Å; Q196-S199 PolarHBondContact O-N 3.44Å; Q196-S199 VanDerWaalsContact O-N 3.13Å; Q196-S199 PolarHBondContact O-OG 3.47Å
197A97.9Very high94.7Very high0 Ų054.3 Ų54.30%030%0.303CS..Hα-helixtrans-63-45.217200000111.3C26 S67 L70 L71 L193 S194 C195 S199 M200C26-A197 HydrophobicContact CB-CB 3.76Å; S67-A197 PolarHBondContact OG-O 2.91Å; L70-A197 HydrophobicContact CD2-CB 4.27Å; L71-A197 HydrophobicContact CD1-CB 4.07Å; L71-A197 HydrophobicContact CD2-CB 3.75Å; L71-A197 HydrophobicContact CG-CB 3.83Å; L193-A197 WeakPolarHBondContact O-CB 3.47Å; L193-A197 PolarHBondContact O-N 3.29Å; S194-A197 WeakPolarHBondContact O-CB 3.39Å; S194-A197 PolarHBondContact O-N 3.13Å; C195-A197 VanDerWaalsContact C-N 3.34Å; A197-S199 PolarHBondContact O-N 3.28Å; A197-M200 VanDerWaalsContact O-CB 3.3Å; A197-M200 WeakPolarHBondContact O-CB 3.35Å; A197-M200 PolarHBondContact O-N 2.94Å
198M96.9Very high94.7Very high1 Ų156.9 Ų56.91%0.00531%0.308CS..Hα-helixtrans-61-28.9172.1-171.768.7-153.700112.7C26 M27 S194 C195 M200 H201 Q204 L205 R209 L213C26-M198 VanDerWaalsContact SG-SD 3.61Å; M27-M198 HydrophobicContact CG-SD 3.79Å; M27-M198 HydrophobicContact SD-SD 4.4Å; S194-M198 PolarHBondContact O-N 3.45Å; C195-M198 PolarHBondContact O-N 2.99Å; M198-M200 PolarHBondContact O-N 3.16Å; M198-H201 HydrophobicContact CE-CB 3.84Å; M198-H201 WeakPolarHBondContact O-CB 3.37Å; M198-H201 PolarHBondContact O-N 2.98Å; M198-H201 HydrophobicContact SD-CB 4.27Å; M198-Q204 HydrophobicContact CE-CB 3.82Å; M198-L205 HydrophobicContact CE-CD2 3.97Å; M198-L205 HydrophobicContact CE-CG 4.42Å; M198-L205 HydrophobicContact CG-CD2 3.79Å; M198-R209 HydrophobicContact CE-CG 4.3Å; M198-L213 HydrophobicContact CB-CD1 4.05Å; M198-L213 HydrophobicContact CB-CD2 3.69Å; M198-L213 HydrophobicContact CB-CG 4.45Å; M198-L213 HydrophobicContact CG-CD1 3.85Å; M198-L213 HydrophobicContact CG-CD2 3.78Å; M198-L213 HydrophobicContact CG-CG 4.2Å
199S96.2Very high94.8Very high61 Ų6154.4 Ų54.443%0.42729%0.285SS..Hα-helixtrans-66.2-17.9175.782.30000114.1C195 Q196 A197C195-S199 PolarHBondContact O-N 3.28Å; Q196-S199 WeakPolarHBondContact O-CB 3.17Å; Q196-S199 PolarHBondContact O-N 3.44Å; Q196-S199 VanDerWaalsContact O-N 3.13Å; Q196-S199 PolarHBondContact O-OG 3.47Å; A197-S199 PolarHBondContact O-N 3.28Å
200M97.5Very high94.7Very high65 Ų6552.7 Ų52.732%0.3228%0.277SS..THydrogen-bonded Turntrans-73.6-19.5171-58-60.7135.300112E63 N66 L70 A197 M198 G202E63-M200 VanDerWaalsContact CB-O 3.23Å; E63-M200 WeakPolarHBondContact CB-O 3.35Å; E63-M200 WeakPolarHBondContact CG-O 3.4Å; N66-M200 HydrophobicContact CB-CB 4.17Å; N66-M200 HydrophobicContact CB-CG 4.17Å; N66-M200 HydrophobicContact CB-SD 4.2Å; L70-M200 HydrophobicContact CD2-CE 4.49Å; A197-M200 VanDerWaalsContact O-CB 3.3Å; A197-M200 WeakPolarHBondContact O-CB 3.35Å; A197-M200 PolarHBondContact O-N 2.94Å; M198-M200 PolarHBondContact O-N 3.16Å; M200-G202 VanDerWaalsContact C-N 3.32Å; M200-G202 PolarHBondContact O-N 3.37Å
201H97Very high94.6Very high0 Ų055.9 Ų55.90%029%0.294CS..  trans-91.955.2177.2-69.7-67.4000112.3P22 E25 C26 E63 L64 S67 M198 S203 Q204 L205P22-H201 PolarHBondContact O-CE1 3.37Å; P22-H201 PolarHBondContact O-NE2 3.19Å; P22-H201 VanDerWaalsContact O-NE2 3.11Å; E25-H201 IonicContact OE1-CD2 3.85Å; E25-H201 IonicContact OE1-CE1 2.7Å; E25-H201 IonicContact OE1-NE2 3.86Å; E25-H201 PolarHBondContact OE1-NE2 3Å; E25-H201 IonicContact OE2-NE2 3.18Å; C26-H201 VanDerWaalsContact SG-CD2 3.56Å; E63-H201 VanDerWaalsContact C-CE1 3.46Å; E63-H201 VanDerWaalsContact CB-ND1 3.34Å; E63-H201 WeakPolarHBondContact CB-ND1 3.45Å; E63-H201 IonicContact OE2-ND1 3.38Å; L64-H201 PolarHBondContact N-CE1 3.27Å; S67-H201 WeakPolarHBondContact CB-NE2 3.34Å; M198-H201 HydrophobicContact CE-CB 3.84Å; M198-H201 WeakPolarHBondContact O-CB 3.37Å; M198-H201 PolarHBondContact O-N 2.98Å; M198-H201 HydrophobicContact SD-CB 4.27Å; H201-S203 PolarHBondContact O-N 3.11Å; H201-Q204 HydrophobicContact CB-CB 4.22Å; H201-Q204 HydrophobicContact CB-CG 4.48Å; H201-Q204 PolarHBondContact O-N 3.11Å; H201-L205 PolarHBondContact O-N 2.9Å
202G94.2Very high94.7Very high48 Ų4855.8 Ų55.850%0.49529%0.291SS..G310 helixtrans-53.5-37-178.800000113.2E63 M200 Q204 L205E63-G202 PolarHBondContact OE1-N 2.99Å; M200-G202 VanDerWaalsContact C-N 3.32Å; M200-G202 PolarHBondContact O-N 3.37Å; G202-Q204 PolarHBondContact O-N 3.07Å; G202-L205 PolarHBondContact O-N 3.19Å
203S93.7Very high94.6Very high27 Ų2750.6 Ų50.619%0.18926%0.264CS..G310 helixtrans-64-25.9177.579.50000113.5H55 E63 H201H55-S203 PolarHBondContact CE1-O 3.18Å; H55-S203 PolarHBondContact ND1-O 3.4Å; E63-S203 WeakPolarHBondContact OE1-CB 3.26Å; E63-S203 PolarHBondContact OE1-N 3.36Å; E63-S203 PolarHBondContact OE1-OG 2.67Å; E63-S203 WeakPolarHBondContact OE2-CB 3.49Å; E63-S203 PolarHBondContact OE2-OG 3.3Å; H201-S203 PolarHBondContact O-N 3.11Å
204Q93.4Very high94.3Very high22 Ų2254.4 Ų54.410%0.10328%0.284CS..G310 helixtrans-100.9-8.2-177.2-59-51.2-65.300113.4D23 H55 M198 H201 G202 V206 R209D23-Q204 HydrophobicContact CB-CG 4.21Å; H55-Q204 PolarHBondContact CD2-NE2 3.35Å; H55-Q204 PolarHBondContact NE2-NE2 3.3Å; M198-Q204 HydrophobicContact CE-CB 3.82Å; H201-Q204 HydrophobicContact CB-CB 4.22Å; H201-Q204 HydrophobicContact CB-CG 4.48Å; H201-Q204 PolarHBondContact O-N 3.11Å; G202-Q204 PolarHBondContact O-N 3.07Å; Q204-V206 VanDerWaalsContact C-N 3.28Å; Q204-V206 PolarHBondContact O-N 2.7Å; Q204-R209 VanDerWaalsContact O-CG 3.25Å; Q204-R209 WeakPolarHBondContact O-CG 3.35Å
205L90.4Very high94.1Very high70 Ų7060.4 Ų60.437%0.36631%0.307SS..  trans-74.772.9-176.9-79.9-178.4000113.5M198 H201 G202 L213M198-L205 HydrophobicContact CE-CD2 3.97Å; M198-L205 HydrophobicContact CE-CG 4.42Å; M198-L205 HydrophobicContact CG-CD2 3.79Å; H201-L205 PolarHBondContact O-N 2.9Å; G202-L205 PolarHBondContact O-N 3.19Å; L205-L213 HydrophobicContact CD2-CD1 4.5Å
206V91.3Very high94Very high59 Ų5958.4 Ų58.436%0.35829%0.294SS..  trans-90.8158.3168.5-65.70000111.3Q204 F208 R209Q204-V206 VanDerWaalsContact C-N 3.28Å; Q204-V206 PolarHBondContact O-N 2.7Å; V206-F208 VanDerWaalsContact C-N 3.26Å; V206-F208 HydrophobicContact CB-CD1 4.38Å; V206-F208 HydrophobicContact CB-CE1 4.05Å; V206-F208 HydrophobicContact CB-CZ 4.42Å; V206-F208 HydrophobicContact CG2-CD1 3.73Å; V206-F208 HydrophobicContact CG2-CD2 4.12Å; V206-F208 HydrophobicContact CG2-CE1 3.23Å; V206-F208 HydrophobicContact CG2-CE2 3.64Å; V206-F208 HydrophobicContact CG2-CG 4.16Å; V206-F208 HydrophobicContact CG2-CZ 3.18Å; V206-F208 PolarHBondContact O-N 3.44Å; V206-R209 HydrophobicContact CG2-CG 3.85Å; V206-R209 WeakPolarHBondContact O-CA 3.48Å; V206-R209 VanDerWaalsContact O-CB 3.27Å; V206-R209 WeakPolarHBondContact O-CB 3.25Å; V206-R209 PolarHBondContact O-N 3.06Å
207W93.4Very high93.9Very high185 Ų18553.6 Ų53.670%0.70127%0.272SS*.Hα-helixtrans-52.5-37.3-17070-91.2000114.6R209 L210 L211W207-R209 VanDerWaalsContact C-N 3.29Å; W207-R209 PolarHBondContact O-N 3.08Å; W207-L210 WeakPolarHBondContact O-CB 3.38Å; W207-L210 PolarHBondContact O-N 3.01Å; W207-L210 VanDerWaalsContact O-N 3.14Å; W207-L211 HydrophobicContact CE3-CD1 4.02Å; W207-L211 HydrophobicContact CZ3-CD1 3.53Å; W207-L211 HydrophobicContact CZ3-CG 4.49Å
208F91Very high93.8Very high99 Ų9953.6 Ų53.643%0.43427%0.272SS..Hα-helixtrans-73.5-19.6179.163-102.4000113V206 L210 L211 Y212V206-F208 VanDerWaalsContact C-N 3.26Å; V206-F208 HydrophobicContact CB-CD1 4.38Å; V206-F208 HydrophobicContact CB-CE1 4.05Å; V206-F208 HydrophobicContact CB-CZ 4.42Å; V206-F208 HydrophobicContact CG2-CD1 3.73Å; V206-F208 HydrophobicContact CG2-CD2 4.12Å; V206-F208 HydrophobicContact CG2-CE1 3.23Å; V206-F208 HydrophobicContact CG2-CE2 3.64Å; V206-F208 HydrophobicContact CG2-CG 4.16Å; V206-F208 HydrophobicContact CG2-CZ 3.18Å; V206-F208 PolarHBondContact O-N 3.44Å; F208-L210 VanDerWaalsContact C-N 3.29Å; F208-L211 PolarHBondContact O-N 3.21Å; F208-Y212 PolarHBondContact O-N 3.04Å
209R93.5Very high93.7Very high54 Ų5453.6 Ų53.620%0.20427%0.272CS..Hα-helixtrans-67.2-33.4168.7-67.5-60.8-159.4-156.511.5110.9D23 M27 M198 Q204 V206 W207 L211 Y212 L213D23-R209 IonicContact OD2-CZ 3.89Å; D23-R209 IonicContact OD2-NE 2.68Å; D23-R209 IonicContact OD2-NH2 2.68Å; D23-R209 PolarHBondContact OD2-NH2 3.17Å; M27-R209 PolarHBondContact SD-NE 2.57Å; M27-R209 PolarHBondContact SD-NH1 3.48Å; M27-R209 VanDerWaalsContact SD-NH1 3.44Å; M27-R209 PolarHBondContact SD-NH2 2.85Å; M198-R209 HydrophobicContact CE-CG 4.3Å; Q204-R209 VanDerWaalsContact O-CG 3.25Å; Q204-R209 WeakPolarHBondContact O-CG 3.35Å; V206-R209 HydrophobicContact CG2-CG 3.85Å; V206-R209 WeakPolarHBondContact O-CA 3.48Å; V206-R209 VanDerWaalsContact O-CB 3.27Å; V206-R209 WeakPolarHBondContact O-CB 3.25Å; V206-R209 PolarHBondContact O-N 3.06Å; W207-R209 VanDerWaalsContact C-N 3.29Å; W207-R209 PolarHBondContact O-N 3.08Å; R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L211 PolarHBondContact O-N 3.46Å; R209-Y212 CarbonylContact O-C 3.53Å; R209-Y212 WeakPolarHBondContact O-CA 3.37Å; R209-Y212 WeakPolarHBondContact O-CB 3.45Å; R209-Y212 PolarHBondContact O-N 3.22Å; R209-Y212 VanDerWaalsContact O-N 3.12Å; R209-L213 WeakPolarHBondContact O-CG 3.41Å; R209-L213 PolarHBondContact O-N 3.49Å
210L92.6Very high93.6Very high94 Ų9452.5 Ų52.549%0.49226%0.259SS..Hα-helixtrans-62.5-42.3173.9-56.4176.6000111W207 F208 Y212 L213 L214W207-L210 WeakPolarHBondContact O-CB 3.38Å; W207-L210 PolarHBondContact O-N 3.01Å; W207-L210 VanDerWaalsContact O-N 3.14Å; F208-L210 VanDerWaalsContact C-N 3.29Å; L210-Y212 VanDerWaalsContact C-N 3.3Å; L210-Y212 PolarHBondContact O-N 3.25Å; L210-L213 PolarHBondContact O-N 3.21Å; L210-L214 WeakPolarHBondContact O-CG 3.49Å; L210-L214 PolarHBondContact O-N 2.79Å; L210-L214 VanDerWaalsContact O-N 3.11Å
211L92.7Very high93.4Very high77 Ų7749.4 Ų49.440%0.40324%0.244SC..Hα-helixtrans-61.7-40.2172.6-62.7-178.7000111.8W207 F208 R209 L214 Y215W207-L211 HydrophobicContact CE3-CD1 4.02Å; W207-L211 HydrophobicContact CZ3-CD1 3.53Å; W207-L211 HydrophobicContact CZ3-CG 4.49Å; F208-L211 PolarHBondContact O-N 3.21Å; R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L211 PolarHBondContact O-N 3.46Å; L211-L214 PolarHBondContact O-N 3.12Å; L211-Y215 HydrophobicContact CB-CD2 4.5Å; L211-Y215 HydrophobicContact CD2-CD2 4.47Å; L211-Y215 HydrophobicContact CD2-CE2 4.13Å; L211-Y215 WeakPolarHBondContact O-CB 3.21Å; L211-Y215 VanDerWaalsContact O-CD2 3.29Å; L211-Y215 WeakPolarHBondContact O-CD2 3.34Å; L211-Y215 PolarHBondContact O-N 3.22Å
212Y94.7Very high93.2Very high7 Ų749.4 Ų49.43%0.02724%0.244CC..Hα-helixtrans-60.4-47.6174.7-177.8-86.4000111.8M27 F28 Y163 F208 R209 L210 L214 Y215 S216 Y218 M219M27-Y212 HydrophobicContact CB-CE1 3.98Å; M27-Y212 HydrophobicContact CE-CD1 4.01Å; M27-Y212 HydrophobicContact CE-CD2 4.28Å; M27-Y212 HydrophobicContact CE-CE1 3.74Å; M27-Y212 HydrophobicContact CE-CE2 4.02Å; M27-Y212 HydrophobicContact CE-CG 4.28Å; M27-Y212 HydrophobicContact CG-CE1 4.14Å; M27-Y212 VanDerWaalsContact O-CE1 3.31Å; M27-Y212 WeakPolarHBondContact O-CE1 3.37Å; M27-Y212 PolarHBondContact O-OH 3.15Å; F28-Y212 WeakPolarHBondContact CD1-OH 3.37Å; F28-Y212 HydrophobicContact CE1-CE2 4.12Å; F28-Y212 AromaticContact CE1-CZ 3.83Å; F28-Y212 WeakPolarHBondContact CE1-OH 3.17Å; Y163-Y212 HydrophobicContact CE1-CD2 4.43Å; F208-Y212 PolarHBondContact O-N 3.04Å; R209-Y212 CarbonylContact O-C 3.53Å; R209-Y212 WeakPolarHBondContact O-CA 3.37Å; R209-Y212 WeakPolarHBondContact O-CB 3.45Å; R209-Y212 PolarHBondContact O-N 3.22Å; R209-Y212 VanDerWaalsContact O-N 3.12Å; L210-Y212 VanDerWaalsContact C-N 3.3Å; L210-Y212 PolarHBondContact O-N 3.25Å; Y212-L214 VanDerWaalsContact C-N 3.26Å; Y212-L214 PolarHBondContact O-N 3.18Å; Y212-Y215 PolarHBondContact O-N 2.79Å; Y212-S216 VanDerWaalsContact CE2-CB 3.47Å; Y212-S216 WeakPolarHBondContact CE2-OG 3.49Å; Y212-S216 VanDerWaalsContact CZ-CB 3.47Å; Y212-S216 WeakPolarHBondContact O-CA 3.36Å; Y212-S216 WeakPolarHBondContact O-CB 3.45Å; Y212-S216 PolarHBondContact O-N 3.06Å; Y212-S216 PolarHBondContact OH-OG 3.42Å; Y212-S216 VanDerWaalsContact OH-OG 3.08Å; Y212-Y218 WeakPolarHBondContact OH-CB 3.48Å; Y212-M219 HydrophobicContact CD1-SD 4.24Å; Y212-M219 HydrophobicContact CE1-CG 4.31Å; Y212-M219 HydrophobicContact CE1-SD 3.75Å
213L93Very high93.2Very high18 Ų1847.6 Ų47.69%0.09422%0.223CC..Hα-helixtrans-60.9-35.6179.5-67.6177.5000112.7M198 L205 R209 L210 M219M198-L213 HydrophobicContact CB-CD1 4.05Å; M198-L213 HydrophobicContact CB-CD2 3.69Å; M198-L213 HydrophobicContact CB-CG 4.45Å; M198-L213 HydrophobicContact CG-CD1 3.85Å; M198-L213 HydrophobicContact CG-CD2 3.78Å; M198-L213 HydrophobicContact CG-CG 4.2Å; L205-L213 HydrophobicContact CD2-CD1 4.5Å; R209-L213 WeakPolarHBondContact O-CG 3.41Å; R209-L213 PolarHBondContact O-N 3.49Å; L210-L213 PolarHBondContact O-N 3.21Å; L213-M219 HydrophobicContact CD2-CE 3.5Å; L213-M219 HydrophobicContact CD2-SD 3.82Å
214L90.4Very high93.2Very high112 Ų11246.3 Ų46.359%0.58621%0.214SC*.Hα-helixtrans-76.2-41.8-179.8-68.6171.8000112.9L210 L211 Y212L210-L214 WeakPolarHBondContact O-CG 3.49Å; L210-L214 PolarHBondContact O-N 2.79Å; L210-L214 VanDerWaalsContact O-N 3.11Å; L211-L214 PolarHBondContact O-N 3.12Å; Y212-L214 VanDerWaalsContact C-N 3.26Å; Y212-L214 PolarHBondContact O-N 3.18Å
215Y92.6Very high93.3Very high126 Ų12647.3 Ų47.349%0.49422%0.221SC..Hα-helixtrans-113.8-14.5-165.8-62.6-68000114.3Y163 G165 L211 Y212 R217Y163-Y215 CarbonylContact C-O 3.54Å; Y163-Y215 VanDerWaalsContact CA-O 3.26Å; Y163-Y215 WeakPolarHBondContact CA-O 3.38Å; G165-Y215 WeakPolarHBondContact CA-O 3.3Å; G165-Y215 PolarHBondContact N-O 3.18Å; L211-Y215 HydrophobicContact CB-CD2 4.5Å; L211-Y215 HydrophobicContact CD2-CD2 4.47Å; L211-Y215 HydrophobicContact CD2-CE2 4.13Å; L211-Y215 WeakPolarHBondContact O-CB 3.21Å; L211-Y215 VanDerWaalsContact O-CD2 3.29Å; L211-Y215 WeakPolarHBondContact O-CD2 3.34Å; L211-Y215 PolarHBondContact O-N 3.22Å; Y212-Y215 PolarHBondContact O-N 2.79Å; Y215-R217 PolarHBondContact O-N 2.92Å
216S95.2Very high93.5Very high0 Ų049.9 Ų49.90%023%0.226CC..  trans-69.7125.4-177.5179.30000111K162 Y212 Y218 M219 F220K162-S216 CarbonylContact O-C 3.59Å; K162-S216 VanDerWaalsContact O-CA 3.24Å; K162-S216 WeakPolarHBondContact O-CA 3.46Å; Y212-S216 VanDerWaalsContact CE2-CB 3.47Å; Y212-S216 WeakPolarHBondContact CE2-OG 3.49Å; Y212-S216 VanDerWaalsContact CZ-CB 3.47Å; Y212-S216 WeakPolarHBondContact O-CA 3.36Å; Y212-S216 WeakPolarHBondContact O-CB 3.45Å; Y212-S216 PolarHBondContact O-N 3.06Å; Y212-S216 PolarHBondContact OH-OG 3.42Å; Y212-S216 VanDerWaalsContact OH-OG 3.08Å; S216-Y218 PolarHBondContact O-N 3.45Å; S216-Y218 VanDerWaalsContact O-N 3.16Å; S216-Y218 PolarHBondContact OG-N 2.92Å; S216-M219 WeakPolarHBondContact O-CB 3.5Å; S216-M219 PolarHBondContact O-N 3.21Å; S216-M219 VanDerWaalsContact O-N 3.14Å; S216-F220 VanDerWaalsContact O-CD2 3.31Å; S216-F220 WeakPolarHBondContact O-CD2 3.4Å
217R94.9Very high93.7Very high1 Ų149.1 Ų49.10%0.00422%0.219CC..G310 helixtrans-59.3-26.3172.869.1144.8-68.4176.4-12.7112.4V157 K162 D168 Y215 M219 F220 I221V157-R217 HydrophobicContact CG2-CG 4.3Å; K162-R217 PolarHBondContact O-N 3.14Å; D168-R217 HydrophobicContact CB-CB 4.24Å; D168-R217 WeakPolarHBondContact OD2-CD 3.46Å; D168-R217 IonicContact OD2-CZ 3.8Å; D168-R217 IonicContact OD2-NE 2.72Å; D168-R217 IonicContact OD2-NH1 3.62Å; D168-R217 PolarHBondContact OD2-NH1 2.82Å; Y215-R217 PolarHBondContact O-N 2.92Å; R217-M219 PolarHBondContact O-N 2.98Å; R217-F220 CarbonylContact O-C 3.55Å; R217-F220 PolarHBondContact O-N 3.25Å; R217-I221 PolarHBondContact NE-O 3.06Å; R217-I221 VanDerWaalsContact NH2-CG2 3.26Å; R217-I221 PolarHBondContact NH2-O 2.94Å; R217-I221 PolarHBondContact O-N 3.19Å
218Y95.8Very high93.5Very high0 Ų050 Ų500%023%0.231CC..G310 helixtrans-70.2-15.6-178.6-62.2-71.6000112.9P31 I123 L154 D155 T156 V157 K162 Y212 S216 N222P31-Y218 WeakPolarHBondContact CD-O 3.47Å; P31-Y218 WeakPolarHBondContact CG-O 3.41Å; I123-Y218 HydrophobicContact CG2-CD2 4.27Å; I123-Y218 HydrophobicContact CG2-CE2 3.61Å; L154-Y218 HydrophobicContact CD1-CD1 4.2Å; L154-Y218 HydrophobicContact CD1-CE1 4.07Å; L154-Y218 HydrophobicContact CD2-CD1 4.1Å; L154-Y218 HydrophobicContact CD2-CE1 4.12Å; L154-Y218 HydrophobicContact CG-CD1 4.4Å; L154-Y218 HydrophobicContact CG-CE1 4.05Å; D155-Y218 WeakPolarHBondContact O-CE1 3.46Å; D155-Y218 PolarHBondContact O-OH 2.91Å; T156-Y218 WeakPolarHBondContact CA-OH 3.46Å; V157-Y218 HydrophobicContact CG2-CE2 4.49Å; V157-Y218 PolarHBondContact N-OH 3.37Å; K162-Y218 HydrophobicContact CD-CE2 4.47Å; K162-Y218 HydrophobicContact CG-CD2 4.4Å; K162-Y218 HydrophobicContact CG-CE2 4.04Å; Y212-Y218 WeakPolarHBondContact OH-CB 3.48Å; S216-Y218 PolarHBondContact O-N 3.45Å; S216-Y218 VanDerWaalsContact O-N 3.16Å; S216-Y218 PolarHBondContact OG-N 2.92Å; Y218-N222 PolarHBondContact O-ND2 2.61Å
219M94.9Very high93.6Very high1 Ų147.5 Ų47.51%0.00522%0.221CC..G310 helixtrans-73.7-20169.7-58.2-52.9-58.500112.6N186 S194 Y212 L213 S216 R217N186-M219 PolarHBondContact ND2-O 2.96Å; S194-M219 VanDerWaalsContact CB-CE 3.42Å; Y212-M219 HydrophobicContact CD1-SD 4.24Å; Y212-M219 HydrophobicContact CE1-CG 4.31Å; Y212-M219 HydrophobicContact CE1-SD 3.75Å; L213-M219 HydrophobicContact CD2-CE 3.5Å; L213-M219 HydrophobicContact CD2-SD 3.82Å; S216-M219 WeakPolarHBondContact O-CB 3.5Å; S216-M219 PolarHBondContact O-N 3.21Å; S216-M219 VanDerWaalsContact O-N 3.14Å; R217-M219 PolarHBondContact O-N 2.98Å
220F93.3Very high93.6Very high37 Ų3747.2 Ų47.216%0.16222%0.222CC..THydrogen-bonded Turntrans-113.9-35.5-174-58.3-78.9000112.4F169 I185 N186 A191 S216 R217F169-F220 HydrophobicContact CE2-CB 4.19Å; I185-F220 CarbonylContact C-O 3.45Å; I185-F220 WeakPolarHBondContact CA-O 3.4Å; N186-F220 PolarHBondContact N-O 3.28Å; A191-F220 HydrophobicContact CB-CD1 3.9Å; A191-F220 HydrophobicContact CB-CE1 3.68Å; S216-F220 VanDerWaalsContact O-CD2 3.31Å; S216-F220 WeakPolarHBondContact O-CD2 3.4Å; R217-F220 CarbonylContact O-C 3.55Å; R217-F220 PolarHBondContact O-N 3.25Å
221I92.7Very high93.7Very high0 Ų044.6 Ų44.60%021%0.207CC..EExtended strand (participates in β ladder)trans-146.4122.8-167.7-40.3171.8000111.3F169 I172 C183 F184 I185 R217F169-I221 HydrophobicContact CD1-CD1 4.2Å; F169-I221 HydrophobicContact CD2-CD1 3.4Å; F169-I221 HydrophobicContact CD2-CG1 4.09Å; F169-I221 HydrophobicContact CE1-CD1 4.35Å; F169-I221 HydrophobicContact CE2-CD1 3.58Å; F169-I221 HydrophobicContact CE2-CG1 3.71Å; F169-I221 HydrophobicContact CG-CD1 3.77Å; F169-I221 HydrophobicContact CZ-CD1 4.09Å; F169-I221 HydrophobicContact CZ-CG1 4.02Å; I172-I221 HydrophobicContact CD1-CB 4.17Å; I172-I221 HydrophobicContact CD1-CD1 3.54Å; I172-I221 HydrophobicContact CD1-CG1 4.41Å; I172-I221 HydrophobicContact CD1-CG2 3.46Å; I172-I221 VanDerWaalsContact CD1-CG2 3.46Å; C183-I221 WeakPolarHBondContact SG-CG2 3.33Å; F184-I221 CarbonylContact O-C 3.53Å; F184-I221 VanDerWaalsContact O-CA 3.3Å; F184-I221 WeakPolarHBondContact O-CA 3.47Å; I185-I221 HydrophobicContact CD1-CG2 4.24Å; I185-I221 HydrophobicContact CG1-CB 4.4Å; I185-I221 HydrophobicContact CG1-CG1 4.26Å; I185-I221 HydrophobicContact CG1-CG2 3.69Å; R217-I221 PolarHBondContact NE-O 3.06Å; R217-I221 VanDerWaalsContact NH2-CG2 3.26Å; R217-I221 PolarHBondContact NH2-O 2.94Å; R217-I221 PolarHBondContact O-N 3.19Å
222N94.4Very high93.7Very high0 Ų042.6 Ų42.60%020%0.196CC..EExtended strand (participates in β ladder)trans-107.4126.8165.8-61.8154.9000109.9F28 F29 P31 T32 L154 C183 F184 Y218 F224F28-N222 VanDerWaalsContact O-CG 3.3Å; F28-N222 PolarHBondContact O-ND2 3.14Å; F28-N222 PolarHBondContact O-OD1 3.14Å; F29-N222 WeakPolarHBondContact CA-OD1 3.39Å; P31-N222 HydrophobicContact CB-CB 4.42Å; P31-N222 WeakPolarHBondContact CD-OD1 3.44Å; T32-N222 PolarHBondContact N-OD1 3.25Å; T32-N222 WeakPolarHBondContact OG1-CB 3.29Å; T32-N222 PolarHBondContact OG1-OD1 3.38Å; L154-N222 HydrophobicContact CD1-CB 3.82Å; C183-N222 CarbonylContact C-O 3.51Å; C183-N222 VanDerWaalsContact CA-O 3.31Å; C183-N222 WeakPolarHBondContact CA-O 3.32Å; F184-N222 HydrophobicContact CB-CB 4.37Å; F184-N222 PolarHBondContact N-O 3.32Å; F184-N222 PolarHBondContact O-N 2.99Å; Y218-N222 PolarHBondContact O-ND2 2.61Å; N222-F224 HydrophobicContact CB-CD2 4.23Å; N222-F224 HydrophobicContact CB-CE2 3.43Å; N222-F224 VanDerWaalsContact CB-CE2 3.43Å; N222-F224 HydrophobicContact CB-CZ 4.08Å
223Q93Very high93.7Very high11 Ų1144.9 Ų44.95%0.05121%0.206CC..EExtended strand (participates in β ladder)trans-118.7131.8176.9-173.9175.5-1.600108.4D155 K181 L182D155-Q223 WeakPolarHBondContact CB-O 3.3Å; D155-Q223 PolarHBondContact N-O 3.01Å; D155-Q223 WeakPolarHBondContact OD2-CG 3.36Å; K181-Q223 HydrophobicContact CB-CG 3.99Å; K181-Q223 HydrophobicContact CD-CG 4.06Å; L182-Q223 CarbonylContact O-C 3.55Å; L182-Q223 WeakPolarHBondContact O-CA 3.12Å
224F95.2Very high93.7Very high0 Ų046.7 Ų46.70%021%0.213CC..EExtended strand (participates in β ladder)trans-123.6142.9-172.4-69.4-92.2000111.7F29 T32 F116 Y152 V153 L154 K181 L182 F184 N222F29-F224 HydrophobicContact CD1-CE1 4.36Å; F29-F224 AromaticContact CD1-CZ 3.93Å; F29-F224 HydrophobicContact CD1-CZ 3.93Å; F29-F224 AromaticContact CE1-CE1 3.89Å; F29-F224 HydrophobicContact CE1-CE1 3.89Å; F29-F224 AromaticContact CE1-CZ 3.9Å; F29-F224 HydrophobicContact CE1-CZ 3.9Å; T32-F224 HydrophobicContact CG2-CE2 4.4Å; T32-F224 HydrophobicContact CG2-CZ 4.3Å; T32-F224 WeakPolarHBondContact OG1-CE2 3.21Å; T32-F224 VanDerWaalsContact OG1-CZ 3.32Å; T32-F224 WeakPolarHBondContact OG1-CZ 3.37Å; F116-F224 HydrophobicContact CB-CE1 4.29Å; F116-F224 AromaticContact CD1-CD1 3.66Å; F116-F224 HydrophobicContact CD1-CD1 3.66Å; F116-F224 HydrophobicContact CD1-CD2 4.41Å; F116-F224 AromaticContact CD1-CE1 3.49Å; F116-F224 HydrophobicContact CD1-CE1 3.49Å; F116-F224 VanDerWaalsContact CD1-CE1 3.49Å; F116-F224 HydrophobicContact CD1-CE2 4.24Å; F116-F224 HydrophobicContact CD1-CG 4.14Å; F116-F224 AromaticContact CD1-CZ 3.81Å; F116-F224 HydrophobicContact CD1-CZ 3.81Å; F116-F224 HydrophobicContact CE1-CD1 4.17Å; F116-F224 HydrophobicContact CE1-CD2 4.34Å; F116-F224 HydrophobicContact CE1-CE1 4.31Å; F116-F224 HydrophobicContact CE1-CE2 4.44Å; F116-F224 HydrophobicContact CE1-CG 4.2Å; F116-F224 HydrophobicContact CE1-CZ 4.44Å; F116-F224 HydrophobicContact CG-CE1 4.32Å; Y152-F224 HydrophobicContact CD1-CB 4.24Å; V153-F224 VanDerWaalsContact O-CA 3.26Å; V153-F224 WeakPolarHBondContact O-CA 3.16Å; V153-F224 WeakPolarHBondContact O-CD1 3.32Å; L154-F224 HydrophobicContact CB-CD1 4.11Å; L154-F224 HydrophobicContact CB-CE1 3.62Å; L154-F224 HydrophobicContact CB-CZ 4.17Å; L154-F224 HydrophobicContact CD1-CE1 4.13Å; L154-F224 HydrophobicContact CD1-CE2 4.16Å; L154-F224 HydrophobicContact CD1-CZ 3.89Å; L154-F224 HydrophobicContact CG-CE1 4.45Å; K181-F224 WeakPolarHBondContact CB-O 3.36Å; L182-F224 HydrophobicContact CB-CB 4.19Å; L182-F224 HydrophobicContact CD2-CB 4.4Å; L182-F224 HydrophobicContact CD2-CD2 4.5Å; L182-F224 PolarHBondContact N-O 2.97Å; L182-F224 PolarHBondContact O-N 3.05Å; F184-F224 HydrophobicContact CD2-CD2 4.03Å; F184-F224 AromaticContact CD2-CE2 3.76Å; F184-F224 HydrophobicContact CD2-CE2 3.76Å; F184-F224 HydrophobicContact CE2-CD2 4.27Å; F184-F224 HydrophobicContact CE2-CE2 4.13Å; N222-F224 HydrophobicContact CB-CD2 4.23Å; N222-F224 HydrophobicContact CB-CE2 3.43Å; N222-F224 VanDerWaalsContact CB-CE2 3.43Å; N222-F224 HydrophobicContact CB-CZ 4.08Å
225T94.3Very high93.9Very high42 Ų4242 Ų4226%0.25819%0.187SC..EExtended strand (participates in β ladder)trans-103.4130.7167.5-600000108.6Y152 V153 D155 K181Y152-T225 WeakPolarHBondContact CA-O 3.36Å; V153-T225 WeakPolarHBondContact CG2-O 3.39Å; V153-T225 PolarHBondContact N-O 2.91Å; V153-T225 PolarHBondContact O-N 2.64Å; D155-T225 PolarHBondContact OD1-OG1 3.06Å; K181-T225 WeakPolarHBondContact CE-OG1 3.3Å; K181-T225 PolarHBondContact NZ-OG1 3.46Å
226R95Very high94Very high124 Ų12435.5 Ų35.547%0.46816%0.163SC..EExtended strand (participates in β ladder)trans-76.2133.6171.1-172.3178.4179174.10.5108.9S150 L151 Y152S150-R226 PolarHBondContact OG-NH2 2.68Å; S150-R226 VanDerWaalsContact OG-NH2 3.12Å; L151-R226 WeakPolarHBondContact O-CA 3.28Å; Y152-R226 HydrophobicContact CD1-CB 3.97Å; Y152-R226 HydrophobicContact CD1-CG 4.44Å; Y152-R226 HydrophobicContact CE1-CB 3.71Å; Y152-R226 HydrophobicContact CE1-CG 4.04Å
227L96.1Very high93.9Very high43 Ų4338.5 Ų38.523%0.22518%0.177CC..EExtended strand (participates in β ladder)trans-102.8142.5170.6-59.2-173.5000109.6L140 L151 V153L140-L227 HydrophobicContact CD1-CB 3.89Å; L151-L227 HydrophobicContact CD2-CB 4.04Å; L151-L227 HydrophobicContact CD2-CD1 3.93Å; L151-L227 HydrophobicContact CD2-CG 4.42Å; L151-L227 HydrophobicContact CG-CB 4.33Å; L151-L227 PolarHBondContact O-N 2.65Å; V153-L227 HydrophobicContact CB-CD1 4.48Å; V153-L227 HydrophobicContact CG1-CD1 3.58Å; V153-L227 HydrophobicContact CG1-CG 4.03Å; V153-L227 HydrophobicContact CG2-CD1 4.05Å; V153-L227 HydrophobicContact CG2-CD2 4.09Å; V153-L227 HydrophobicContact CG2-CG 3.91Å
228E87.8Confident93.9Very high203 Ų20341.9 Ų41.995%0.94919%0.193SC*.  trans-124.40180-61.7-172.1162.400111

Retrieved 228 of 228 residues in 624.8 ms (Link to these results)

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