I1L2Y4_SOYBN Loading...

Glycosyltransferase

AlphaFold DB , UniProt , Accession I1L2Y4, Species SOYBN (Glycine max, Soybean), Gene LOC100775378, Length 468 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
1M82.1Confident93.4Very high154 Ų15432.5 Ų32.576%0.75916%0.161SC*.  0152.30-71.1179.2-131.500107.9T111M1-T111 WeakPolarHBondContact CB-O 3.2Å; M1-T111 WeakPolarHBondContact CG-O 3.4Å
2K92.4Very high92.1Very high86 Ų8632.8 Ų32.837%0.37418%0.179SC..EExtended strand (participates in β ladder)trans-77136.7175.6-172174.6178.4-172.70108.8S32 L33 L112 T113K2-S32 WeakPolarHBondContact CE-O 3.26Å; K2-L33 WeakPolarHBondContact CE-O 3.36Å; K2-L33 PolarHBondContact NZ-O 3.03Å; K2-L112 HydrophobicContact CB-CD2 4.26Å; K2-L112 WeakPolarHBondContact O-CA 3.49Å; K2-T113 PolarHBondContact O-N 3.45Å
3D95.7Very high91Very high51 Ų5139.1 Ų39.127%0.27320%0.198SC..EExtended strand (participates in β ladder)trans-69.6136.5175.1-73.2-8000110L33 S34 T113 K115D3-L33 HydrophobicContact CB-CD2 3.55Å; D3-L33 CarbonylContact O-C 3.55Å; D3-L33 WeakPolarHBondContact O-CA 2.83Å; D3-S34 PolarHBondContact O-N 3.45Å; D3-S34 PolarHBondContact O-OG 3.33Å; D3-T113 WeakPolarHBondContact CA-O 3.47Å; D3-T113 WeakPolarHBondContact OD1-CB 3.39Å; D3-T113 PolarHBondContact OD1-OG1 3.12Å; D3-K115 HydrophobicContact CB-CG 4.14Å; D3-K115 WeakPolarHBondContact OD1-CE 3.21Å; D3-K115 IonicContact OD1-NZ 3.77Å; D3-K115 WeakPolarHBondContact OD2-CE 3.33Å; D3-K115 IonicContact OD2-NZ 3.98Å; D3-K115 PolarHBondContact OD2-NZ 3.07Å
4S96.8Very high90Very high0 Ų039.6 Ų39.60%022%0.218CC..EExtended strand (participates in β ladder)trans-144.5147.1-171.2-160.40000113.5S34 T113 L114 K115S4-S34 WeakPolarHBondContact CA-O 3.31Å; S4-S34 WeakPolarHBondContact CB-O 3.45Å; S4-S34 VanDerWaalsContact CB-OG 3.23Å; S4-S34 WeakPolarHBondContact CB-OG 3.49Å; S4-S34 PolarHBondContact OG-O 3.2Å; S4-S34 PolarHBondContact OG-OG 2.97Å; S4-T113 PolarHBondContact N-O 3.11Å; S4-L114 WeakPolarHBondContact O-CA 3.48Å; S4-K115 PolarHBondContact O-N 2.88Å
5I97.8Very high89.9Confident0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-114134.5170.3-61.3178.5000108.2L7 I26 L33 S34 I35 T36 K115 V118 W466I5-L7 HydrophobicContact CG2-CD2 3.71Å; I5-I26 HydrophobicContact CD1-CD1 4.43Å; I5-I26 HydrophobicContact CD1-CG2 4.21Å; I5-L33 HydrophobicContact CD1-CD1 3.83Å; I5-L33 HydrophobicContact CG1-CD1 4.32Å; I5-S34 PolarHBondContact N-O 3.24Å; I5-I35 HydrophobicContact CB-CD1 3.97Å; I5-I35 WeakPolarHBondContact O-CA 3.47Å; I5-T36 PolarHBondContact O-N 2.91Å; I5-K115 HydrophobicContact CG1-CB 4.46Å; I5-V118 HydrophobicContact CG2-CG2 4.02Å; I5-W466 HydrophobicContact CD1-CD2 3.6Å; I5-W466 HydrophobicContact CD1-CE3 3.24Å; I5-W466 HydrophobicContact CD1-CG 4.44Å; I5-W466 HydrophobicContact CD1-CH2 3.52Å; I5-W466 HydrophobicContact CD1-CZ2 3.85Å; I5-W466 HydrophobicContact CD1-CZ3 3.21Å
6V97.9Very high89.9Confident0 Ų038.2 Ų38.20%021%0.208CC..EExtended strand (participates in β ladder)trans-97.8130.1173.2176.10000108.7T36 L38 L108 L114 A116 I117 V118V6-T36 CarbonylContact C-O 3.54Å; V6-T36 VanDerWaalsContact CA-O 3.26Å; V6-T36 WeakPolarHBondContact CA-O 3.4Å; V6-L38 HydrophobicContact CG1-CD1 3.8Å; V6-L38 HydrophobicContact CG1-CD2 4.03Å; V6-L38 HydrophobicContact CG1-CG 3.62Å; V6-L108 HydrophobicContact CG2-CD1 4.04Å; V6-L114 HydrophobicContact CG2-CD2 3.88Å; V6-A116 PolarHBondContact N-O 3.2Å; V6-A116 VanDerWaalsContact N-O 3.11Å; V6-I117 HydrophobicContact CB-CG1 4.14Å; V6-I117 CarbonylContact O-C 3.5Å; V6-I117 WeakPolarHBondContact O-CA 3.25Å; V6-V118 PolarHBondContact O-N 3.5Å
7L98.2Very high89.9Confident0 Ų037.6 Ų37.60%021%0.205CC..EExtended strand (participates in β ladder)trans-111.2134.4175.7-49.9-179.9000109.1I5 P9 M19 I26 I35 T36 I37 L38 V118I5-L7 HydrophobicContact CG2-CD2 3.71Å; L7-P9 WeakPolarHBondContact O-CD 3.49Å; L7-M19 HydrophobicContact CB-CG 3.51Å; L7-M19 HydrophobicContact CB-SD 3.84Å; L7-M19 HydrophobicContact CD1-CG 3.95Å; L7-M19 WeakPolarHBondContact CD1-O 3.45Å; L7-M19 HydrophobicContact CD1-SD 4.34Å; L7-M19 HydrophobicContact CD2-SD 4.46Å; L7-M19 HydrophobicContact CG-CG 4.3Å; L7-M19 HydrophobicContact CG-SD 4.44Å; L7-I26 HydrophobicContact CD2-CD1 4.35Å; L7-I35 HydrophobicContact CD1-CG2 3.51Å; L7-I35 HydrophobicContact CG-CG2 3.81Å; L7-T36 PolarHBondContact N-O 3.38Å; L7-I37 HydrophobicContact CB-CG1 4.26Å; L7-I37 HydrophobicContact CD1-CD1 4.46Å; L7-I37 HydrophobicContact CD1-CG1 4.31Å; L7-I37 CarbonylContact O-C 3.58Å; L7-I37 VanDerWaalsContact O-CA 3.31Å; L7-I37 WeakPolarHBondContact O-CA 3.27Å; L7-L38 PolarHBondContact O-N 3.08Å; L7-V118 CarbonylContact C-O 3.56Å; L7-V118 WeakPolarHBondContact CA-O 3.47Å; L7-V118 HydrophobicContact CD2-CB 3.6Å; L7-V118 HydrophobicContact CD2-CG1 4.45Å; L7-V118 HydrophobicContact CD2-CG2 3.74Å
8Y96.7Very high90Very high1 Ų135.9 Ų35.90%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-125.786.7-176.9-169-164.6000112L38 L40 L75 L101 V118 L119 D120 N123 A126Y8-L38 HydrophobicContact CD1-CD1 4.43Å; Y8-L38 HydrophobicContact CD2-CB 3.59Å; Y8-L38 HydrophobicContact CD2-CD1 4.32Å; Y8-L38 HydrophobicContact CD2-CG 4.5Å; Y8-L38 HydrophobicContact CE2-CB 4.05Å; Y8-L38 HydrophobicContact CG-CB 4.15Å; Y8-L38 HydrophobicContact CG-CD1 4.14Å; Y8-L40 HydrophobicContact CE2-CD2 4.16Å; Y8-L40 HydrophobicContact CE2-CG 3.94Å; Y8-L40 WeakPolarHBondContact OH-CD2 3.46Å; Y8-L75 HydrophobicContact CE2-CD1 3.86Å; Y8-L75 VanDerWaalsContact OH-CD1 3.25Å; Y8-L75 WeakPolarHBondContact OH-CD1 3.35Å; Y8-L101 HydrophobicContact CD1-CD1 4.43Å; Y8-L101 HydrophobicContact CD1-CD2 4.47Å; Y8-L101 HydrophobicContact CE1-CD1 3.92Å; Y8-L101 HydrophobicContact CE1-CD2 4.07Å; Y8-L101 HydrophobicContact CE1-CG 4.49Å; Y8-V118 PolarHBondContact N-O 3.09Å; Y8-L119 HydrophobicContact CD1-CD2 3.86Å; Y8-L119 HydrophobicContact CG-CD2 4.4Å; Y8-D120 WeakPolarHBondContact O-CB 3.18Å; Y8-D120 PolarHBondContact O-N 2.93Å; Y8-N123 HydrophobicContact CD1-CB 4.19Å; Y8-N123 WeakPolarHBondContact CD2-ND2 3.42Å; Y8-N123 HydrophobicContact CE1-CB 4.32Å; Y8-N123 PolarHBondContact O-ND2 2.84Å; Y8-A126 HydrophobicContact CD1-CB 4.11Å; Y8-A126 HydrophobicContact CE1-CB 4.04Å
9P94.4Very high90.3Very high5 Ų534 Ų343%0.03219%0.186CC..PPolyproline II helixtrans-67.9150.9177.528.4-35.4000112.6L7 H15 L16 M19 I37 L38 I39 N123L7-P9 WeakPolarHBondContact O-CD 3.49Å; P9-H15 HydrophobicContact CB-CB 4.36Å; P9-L16 HydrophobicContact CG-CD1 4.11Å; P9-M19 HydrophobicContact CB-CB 3.96Å; P9-M19 HydrophobicContact CB-CE 4.26Å; P9-M19 HydrophobicContact CB-CG 4.24Å; P9-M19 HydrophobicContact CG-CB 4.43Å; P9-M19 HydrophobicContact CG-CG 4.47Å; P9-I37 HydrophobicContact CG-CG2 3.79Å; P9-L38 VanDerWaalsContact CD-O 3.24Å; P9-L38 WeakPolarHBondContact CD-O 3.46Å; P9-I39 HydrophobicContact CG-CD1 4.46Å; P9-N123 PolarHBondContact O-ND2 3.47Å
10A90.2Very high90.6Very high5 Ų532.3 Ų32.34%0.04118%0.177CC..PPolyproline II helixtrans-71.6167.116800000111.3G12 H15 D120 M122 N123A10-G12 PolarHBondContact O-N 3.23Å; A10-H15 HydrophobicContact CB-CB 4.22Å; A10-H15 WeakPolarHBondContact O-CB 3.44Å; A10-D120 HydrophobicContact CB-CB 4.07Å; A10-M122 HydrophobicContact CB-CB 3.8Å; A10-M122 HydrophobicContact CB-CG 4.46Å; A10-N123 PolarHBondContact N-ND2 2.55Å
11L85Confident90.8Very high55 Ų5531.6 Ų31.629%0.28817%0.172SC..SBendtrans-65.6123.8176.9-173.368.2000110.1L40 S90 L93L11-L40 HydrophobicContact CB-CD1 4.28Å; L11-L40 HydrophobicContact CD1-CB 4.44Å; L11-S90 WeakPolarHBondContact CB-OG 3.37Å; L11-S90 PolarHBondContact N-OG 3.11Å; L11-S90 VanDerWaalsContact N-OG 3.1Å; L11-L93 HydrophobicContact CD1-CD2 4.31Å; L11-L93 HydrophobicContact CD2-CD2 3.82Å; L11-L93 HydrophobicContact CG-CD2 4.48Å
12G77.8Confident91.5Very high36 Ų3624.2 Ų24.237%0.37114%0.136SC..SBendtrans137.6144.4174.600000112.8A10 G14 H15 L16A10-G12 PolarHBondContact O-N 3.23Å; G12-G14 VanDerWaalsContact C-N 3.27Å; G12-G14 PolarHBondContact O-N 3.15Å; G12-H15 PolarHBondContact O-N 2.99Å; G12-L16 PolarHBondContact O-N 3.36Å; G12-L16 VanDerWaalsContact O-N 3.09Å
13R77.8Confident91.7Very high115 Ų11520.1 Ų20.143%0.43412%0.118SC..Hα-helixtrans-59.8-36.8-176.1-169.9175.2-174.9-93.72.3112.6L16 V17R13-L16 PolarHBondContact O-N 2.73Å; R13-V17 HydrophobicContact CG-CG2 4Å; R13-V17 WeakPolarHBondContact O-CB 3.24Å; R13-V17 WeakPolarHBondContact O-CG2 3.32Å; R13-V17 PolarHBondContact O-N 3.43Å
14G77.9Confident91.7Very high46 Ų4620.4 Ų20.447%0.47412%0.117SC..Hα-helixtrans-61.6-44.917800000113G12 S18G12-G14 VanDerWaalsContact C-N 3.27Å; G12-G14 PolarHBondContact O-N 3.15Å; G14-S18 WeakPolarHBondContact O-CB 3.46Å; G14-S18 PolarHBondContact O-N 3.48Å
15H87.6Confident91.7Very high47 Ų4721.7 Ų21.722%0.21812%0.124CC..Hα-helixtrans-65.1-46.6177.2-64.8-83.9000111.4P9 A10 G12 S18 M19 D120P9-H15 HydrophobicContact CB-CB 4.36Å; A10-H15 HydrophobicContact CB-CB 4.22Å; A10-H15 WeakPolarHBondContact O-CB 3.44Å; G12-H15 PolarHBondContact O-N 2.99Å; H15-S18 PolarHBondContact O-N 3.37Å; H15-M19 WeakPolarHBondContact O-CB 3.34Å; H15-M19 PolarHBondContact O-N 3.13Å; H15-D120 IonicContact CE1-OD1 2.8Å; H15-D120 IonicContact CE1-OD2 2.91Å; H15-D120 IonicContact CG-OD2 2.76Å; H15-D120 IonicContact ND1-OD1 3.11Å; H15-D120 IonicContact ND1-OD2 3.85Å; H15-D120 PolarHBondContact ND1-OD2 2.98Å
16L90.6Very high91.6Very high10 Ų1021.7 Ų21.75%0.05212%0.124CC..Hα-helixtrans-60.3-49.7177.5177.160000112.3P9 G12 R13 S18 M19 V20 I37 I39 T56 Y59 I60 F72P9-L16 HydrophobicContact CG-CD1 4.11Å; G12-L16 PolarHBondContact O-N 3.36Å; G12-L16 VanDerWaalsContact O-N 3.09Å; R13-L16 PolarHBondContact O-N 2.73Å; L16-S18 PolarHBondContact O-N 3.39Å; L16-M19 PolarHBondContact O-N 3.26Å; L16-V20 HydrophobicContact CD1-CG2 4.21Å; L16-V20 WeakPolarHBondContact O-CG2 3.4Å; L16-V20 PolarHBondContact O-N 3.23Å; L16-I37 HydrophobicContact CD1-CG2 4.12Å; L16-I39 HydrophobicContact CD1-CD1 3.49Å; L16-I39 VanDerWaalsContact CD1-CD1 3.49Å; L16-I39 HydrophobicContact CD2-CD1 4.41Å; L16-T56 HydrophobicContact CD2-CG2 3.78Å; L16-Y59 HydrophobicContact CD2-CD1 4.18Å; L16-Y59 HydrophobicContact CD2-CE1 4.42Å; L16-Y59 HydrophobicContact CG-CE1 4.26Å; L16-I60 HydrophobicContact CD2-CD1 4.19Å; L16-I60 HydrophobicContact CD2-CG1 4.09Å; L16-F72 HydrophobicContact CD1-CE1 4.16Å
17V89.6Confident91.6Very high28 Ų2822.5 Ų22.517%0.1713%0.128CC..Hα-helixtrans-60.8-47-179.6171.10000110.1R13 M19 V20 E21 Y59R13-V17 HydrophobicContact CG-CG2 4Å; R13-V17 WeakPolarHBondContact O-CB 3.24Å; R13-V17 WeakPolarHBondContact O-CG2 3.32Å; R13-V17 PolarHBondContact O-N 3.43Å; V17-M19 VanDerWaalsContact C-N 3.29Å; V17-M19 PolarHBondContact O-N 3.37Å; V17-V20 PolarHBondContact O-N 3.34Å; V17-E21 WeakPolarHBondContact O-CG 3.36Å; V17-E21 PolarHBondContact O-N 3.37Å; V17-Y59 HydrophobicContact CG2-CD1 4.45Å; V17-Y59 HydrophobicContact CG2-CE1 3.83Å; V17-Y59 HydrophobicContact CG2-CE2 4.12Å
18S91.7Very high91.4Very high7 Ų727.3 Ų27.35%0.04916%0.158CC..Hα-helixtrans-60.1-40.9178.6-165.20000112G14 H15 L16 E21 L22 Y140G14-S18 WeakPolarHBondContact O-CB 3.46Å; G14-S18 PolarHBondContact O-N 3.48Å; H15-S18 PolarHBondContact O-N 3.37Å; L16-S18 PolarHBondContact O-N 3.39Å; S18-E21 PolarHBondContact O-N 3.15Å; S18-L22 PolarHBondContact O-N 3.37Å; S18-Y140 VanDerWaalsContact OG-CE1 3.31Å; S18-Y140 WeakPolarHBondContact OG-CE1 3.36Å; S18-Y140 PolarHBondContact OG-OH 3.48Å
19M95.3Very high91.3Very high0 Ų030.7 Ų30.70%017%0.173CC..Hα-helixtrans-68.9-35.4178.1-16069.679.600112.8L7 P9 H15 L16 V17 L22 G23 D120 Y140L7-M19 HydrophobicContact CB-CG 3.51Å; L7-M19 HydrophobicContact CB-SD 3.84Å; L7-M19 HydrophobicContact CD1-CG 3.95Å; L7-M19 WeakPolarHBondContact CD1-O 3.45Å; L7-M19 HydrophobicContact CD1-SD 4.34Å; L7-M19 HydrophobicContact CD2-SD 4.46Å; L7-M19 HydrophobicContact CG-CG 4.3Å; L7-M19 HydrophobicContact CG-SD 4.44Å; P9-M19 HydrophobicContact CB-CB 3.96Å; P9-M19 HydrophobicContact CB-CE 4.26Å; P9-M19 HydrophobicContact CB-CG 4.24Å; P9-M19 HydrophobicContact CG-CB 4.43Å; P9-M19 HydrophobicContact CG-CG 4.47Å; H15-M19 WeakPolarHBondContact O-CB 3.34Å; H15-M19 PolarHBondContact O-N 3.13Å; L16-M19 PolarHBondContact O-N 3.26Å; V17-M19 VanDerWaalsContact C-N 3.29Å; V17-M19 PolarHBondContact O-N 3.37Å; M19-L22 PolarHBondContact O-N 3.27Å; M19-L22 HydrophobicContact SD-CD2 4.08Å; M19-G23 PolarHBondContact O-N 2.97Å; M19-D120 HydrophobicContact CE-CB 3.93Å; M19-Y140 HydrophobicContact CE-CD1 4.13Å; M19-Y140 HydrophobicContact SD-CD1 3.85Å
20V95.8Very high91.4Very high0 Ų033 Ų330%018%0.184CC..Hα-helixtrans-63.8-44.4172.1165.40000110.9L16 V17 L22 G23 K24 I37 Y59 V63 F72L16-V20 HydrophobicContact CD1-CG2 4.21Å; L16-V20 WeakPolarHBondContact O-CG2 3.4Å; L16-V20 PolarHBondContact O-N 3.23Å; V17-V20 PolarHBondContact O-N 3.34Å; V20-L22 VanDerWaalsContact C-N 3.31Å; V20-L22 PolarHBondContact O-N 3.16Å; V20-G23 PolarHBondContact O-N 3.49Å; V20-G23 VanDerWaalsContact O-N 3.14Å; V20-K24 HydrophobicContact CG1-CD 4.3Å; V20-K24 WeakPolarHBondContact O-CG 3.33Å; V20-K24 PolarHBondContact O-N 3.46Å; V20-I37 HydrophobicContact CB-CD1 4.41Å; V20-I37 HydrophobicContact CG2-CD1 3.6Å; V20-Y59 WeakPolarHBondContact CG1-OH 3.48Å; V20-Y59 HydrophobicContact CG2-CE1 4.1Å; V20-V63 HydrophobicContact CG1-CG1 3.77Å; V20-V63 HydrophobicContact CG1-CG2 3.87Å; V20-V63 HydrophobicContact CG2-CG1 4.48Å; V20-F72 HydrophobicContact CG2-CE1 4.06Å; V20-F72 HydrophobicContact CG2-CZ 4.03Å
21E95.1Very high91.6Very high17 Ų1737.6 Ų37.68%0.07921%0.213CC..Hα-helixtrans-65.3-35.4177.7-61.9-51.6143.500111.8V17 S18 K24 L25 V250 S252V17-E21 WeakPolarHBondContact O-CG 3.36Å; V17-E21 PolarHBondContact O-N 3.37Å; S18-E21 PolarHBondContact O-N 3.15Å; E21-K24 PolarHBondContact O-N 3.39Å; E21-K24 IonicContact OE1-NZ 3.85Å; E21-K24 PolarHBondContact OE1-NZ 2.61Å; E21-K24 WeakPolarHBondContact OE2-CD 3.17Å; E21-K24 IonicContact OE2-NZ 3.74Å; E21-K24 PolarHBondContact OE2-NZ 3.47Å; E21-L25 WeakPolarHBondContact O-CB 3.3Å; E21-L25 PolarHBondContact O-N 3.46Å; E21-V250 HydrophobicContact CB-CG1 3.73Å; E21-S252 PolarHBondContact OE1-OG 3.33Å
22L96.5Very high92.1Very high0 Ų038.8 Ų38.80%023%0.226CC..Hα-helixtrans-60.6-46.9168.8177.260.2000111.5S18 M19 V20 K24 L25 I26 V118 Y140 I247S18-L22 PolarHBondContact O-N 3.37Å; M19-L22 PolarHBondContact O-N 3.27Å; M19-L22 HydrophobicContact SD-CD2 4.08Å; V20-L22 VanDerWaalsContact C-N 3.31Å; V20-L22 PolarHBondContact O-N 3.16Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3.34Å; L22-L25 WeakPolarHBondContact O-CB 3.46Å; L22-L25 PolarHBondContact O-N 3.12Å; L22-I26 HydrophobicContact CD1-CD1 4.26Å; L22-I26 HydrophobicContact CD1-CG1 4.36Å; L22-I26 HydrophobicContact CG-CD1 4.04Å; L22-I26 WeakPolarHBondContact O-CG1 3.44Å; L22-I26 PolarHBondContact O-N 3.39Å; L22-V118 HydrophobicContact CD2-CG1 4.15Å; L22-Y140 HydrophobicContact CB-CE1 4.16Å; L22-Y140 HydrophobicContact CD2-CD1 3.86Å; L22-Y140 HydrophobicContact CD2-CD2 4Å; L22-Y140 HydrophobicContact CD2-CE1 4.14Å; L22-Y140 HydrophobicContact CD2-CE2 4.29Å; L22-Y140 HydrophobicContact CD2-CG 3.78Å; L22-I247 HydrophobicContact CD1-CD1 3.47Å; L22-I247 VanDerWaalsContact CD1-CD1 3.47Å
23G97.4Very high93Very high0 Ų037.5 Ų37.50%021%0.211CC..Hα-helixtrans-58.2-42.3176.600000113M19 V20 I26 L27M19-G23 PolarHBondContact O-N 2.97Å; V20-G23 PolarHBondContact O-N 3.49Å; V20-G23 VanDerWaalsContact O-N 3.14Å; G23-I26 PolarHBondContact O-N 3.22Å; G23-L27 WeakPolarHBondContact O-CG 3.46Å; G23-L27 PolarHBondContact O-N 3.02Å
24K96.3Very high93.9Very high56 Ų5632.7 Ų32.724%0.24319%0.194CC..Hα-helixtrans-64.9-41.6174.9-69.7171.6-176.5169.30112.2V20 E21 L22 I26 L27 T28 I70V20-K24 HydrophobicContact CG1-CD 4.3Å; V20-K24 WeakPolarHBondContact O-CG 3.33Å; V20-K24 PolarHBondContact O-N 3.46Å; E21-K24 PolarHBondContact O-N 3.39Å; E21-K24 IonicContact OE1-NZ 3.85Å; E21-K24 PolarHBondContact OE1-NZ 2.61Å; E21-K24 WeakPolarHBondContact OE2-CD 3.17Å; E21-K24 IonicContact OE2-NZ 3.74Å; E21-K24 PolarHBondContact OE2-NZ 3.47Å; L22-K24 VanDerWaalsContact C-N 3.33Å; L22-K24 PolarHBondContact O-N 3.34Å; K24-I26 VanDerWaalsContact C-N 3.35Å; K24-L27 PolarHBondContact O-N 2.7Å; K24-T28 WeakPolarHBondContact O-CB 3.17Å; K24-T28 PolarHBondContact O-N 3.38Å; K24-T28 PolarHBondContact O-OG1 3.43Å; K24-I70 HydrophobicContact CG-CD1 3.84Å
25L95.5Very high94.9Very high27 Ų2730.5 Ų30.514%0.14117%0.172CC..Hα-helixtrans-60.2-46.6175.1-179.672.8000110.9E21 L22 L27 T28 H29 I247 V250E21-L25 WeakPolarHBondContact O-CB 3.3Å; E21-L25 PolarHBondContact O-N 3.46Å; L22-L25 WeakPolarHBondContact O-CB 3.46Å; L22-L25 PolarHBondContact O-N 3.12Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.23Å; L25-T28 WeakPolarHBondContact O-CB 3.13Å; L25-T28 PolarHBondContact O-N 2.86Å; L25-H29 PolarHBondContact O-CD2 3.36Å; L25-H29 PolarHBondContact O-N 2.77Å; L25-I247 HydrophobicContact CD2-CD1 3.94Å; L25-V250 HydrophobicContact CD2-CG2 3.81Å
26I97Very high95.4Very high0 Ų028.4 Ų28.40%016%0.162CC..Hα-helixtrans-56.1-51.7176.6-67.8163.8000109.9I5 L7 L22 G23 K24 T28 H29 Q30 L33 I35 F459 W466I5-I26 HydrophobicContact CD1-CD1 4.43Å; I5-I26 HydrophobicContact CD1-CG2 4.21Å; L7-I26 HydrophobicContact CD2-CD1 4.35Å; L22-I26 HydrophobicContact CD1-CD1 4.26Å; L22-I26 HydrophobicContact CD1-CG1 4.36Å; L22-I26 HydrophobicContact CG-CD1 4.04Å; L22-I26 WeakPolarHBondContact O-CG1 3.44Å; L22-I26 PolarHBondContact O-N 3.39Å; G23-I26 PolarHBondContact O-N 3.22Å; K24-I26 VanDerWaalsContact C-N 3.35Å; I26-T28 VanDerWaalsContact C-N 3.27Å; I26-T28 PolarHBondContact O-N 3.09Å; I26-H29 PolarHBondContact O-N 3.37Å; I26-Q30 HydrophobicContact CG2-CB 4.46Å; I26-Q30 WeakPolarHBondContact O-CA 3.38Å; I26-Q30 WeakPolarHBondContact O-CB 3.29Å; I26-Q30 PolarHBondContact O-N 3.35Å; I26-L33 HydrophobicContact CG2-CD1 3.75Å; I26-I35 HydrophobicContact CB-CD1 4.25Å; I26-I35 HydrophobicContact CD1-CD1 4.24Å; I26-I35 HydrophobicContact CG2-CD1 3.92Å; I26-F459 HydrophobicContact CB-CZ 4.48Å; I26-F459 HydrophobicContact CG1-CE2 3.89Å; I26-F459 HydrophobicContact CG1-CZ 4.32Å; I26-W466 HydrophobicContact CD1-CH2 3.8Å; I26-W466 HydrophobicContact CD1-CZ3 4.43Å; I26-W466 HydrophobicContact CG1-CH2 3.89Å; I26-W466 HydrophobicContact CG1-CZ3 4.24Å; I26-W466 HydrophobicContact CG2-CZ3 4.14Å
27L96.9Very high95.7Very high18 Ų1828 Ų289%0.09416%0.16CC..Hα-helixtrans-65.5-28.5-178.5-70.4170.4000113.6G23 K24 L25 H29 P31 L33 I35 T67 I70G23-L27 WeakPolarHBondContact O-CG 3.46Å; G23-L27 PolarHBondContact O-N 3.02Å; K24-L27 PolarHBondContact O-N 2.7Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.23Å; L27-H29 VanDerWaalsContact C-N 3.28Å; L27-H29 PolarHBondContact O-N 3.25Å; L27-P31 VanDerWaalsContact O-CA 3.3Å; L27-P31 WeakPolarHBondContact O-CA 3.48Å; L27-L33 HydrophobicContact CD2-CB 4.46Å; L27-L33 WeakPolarHBondContact CD2-O 3.45Å; L27-I35 HydrophobicContact CD1-CG1 3.89Å; L27-I35 HydrophobicContact CD2-CG1 4.05Å; L27-I35 HydrophobicContact CG-CG1 3.76Å; L27-T67 HydrophobicContact CD1-CG2 3.98Å; L27-I70 HydrophobicContact CD1-CD1 4.14Å; L27-I70 HydrophobicContact CD1-CG1 3.54Å
28T94.7Very high96.1Very high101 Ų10126.7 Ų26.762%0.6215%0.152SC*.Hα-helixtrans-63.4-37.8175.7-61.10000111.3K24 L25 I26K24-T28 WeakPolarHBondContact O-CB 3.17Å; K24-T28 PolarHBondContact O-N 3.38Å; K24-T28 PolarHBondContact O-OG1 3.43Å; L25-T28 WeakPolarHBondContact O-CB 3.13Å; L25-T28 PolarHBondContact O-N 2.86Å; I26-T28 VanDerWaalsContact C-N 3.27Å; I26-T28 PolarHBondContact O-N 3.09Å
29H94.7Very high96.1Very high71 Ų7127.2 Ų27.233%0.32915%0.154SC..Hα-helixtrans-102.4-16.4-177.4-64.9-67.4000113.8L25 I26 L27 F459L25-H29 PolarHBondContact O-CD2 3.36Å; L25-H29 PolarHBondContact O-N 2.77Å; I26-H29 PolarHBondContact O-N 3.37Å; L27-H29 VanDerWaalsContact C-N 3.28Å; L27-H29 PolarHBondContact O-N 3.25Å; H29-F459 HydrophobicContact CB-CD1 4.11Å; H29-F459 HydrophobicContact CB-CE1 3.42Å; H29-F459 VanDerWaalsContact CB-CE1 3.42Å; H29-F459 HydrophobicContact CB-CZ 4.12Å
30Q95.8Very high95.9Very high55 Ų5527.7 Ų27.726%0.25716%0.157SC..  trans-134.566.7179.5-61.2-60-34.500110.2I26 S32 L33 F459 V463I26-Q30 HydrophobicContact CG2-CB 4.46Å; I26-Q30 WeakPolarHBondContact O-CA 3.38Å; I26-Q30 WeakPolarHBondContact O-CB 3.29Å; I26-Q30 PolarHBondContact O-N 3.35Å; Q30-S32 PolarHBondContact O-N 2.75Å; Q30-S32 VanDerWaalsContact O-N 3.11Å; Q30-L33 HydrophobicContact CB-CD1 3.58Å; Q30-L33 HydrophobicContact CB-CG 3.92Å; Q30-L33 HydrophobicContact CG-CD1 4.21Å; Q30-L33 WeakPolarHBondContact O-CB 3.4Å; Q30-L33 PolarHBondContact O-N 3.18Å; Q30-F459 HydrophobicContact CG-CE1 4.27Å; Q30-F459 HydrophobicContact CG-CZ 4.28Å; Q30-V463 HydrophobicContact CG-CG1 4.23Å; Q30-V463 HydrophobicContact CG-CG2 3.92Å
31P95.8Very high95.3Very high100 Ų10029.3 Ų29.365%0.64917%0.167SC*.THydrogen-bonded Turntrans-66.4-15.3-172.326.6-36.1000114.2L27 L33L27-P31 VanDerWaalsContact O-CA 3.3Å; L27-P31 WeakPolarHBondContact O-CA 3.48Å; P31-L33 VanDerWaalsContact C-N 3.3Å
32S94.8Very high94.2Very high80 Ų8030.2 Ų30.256%0.55917%0.174SC*.THydrogen-bonded Turntrans-73.2-21.1174.554.30000113.2K2 Q30K2-S32 WeakPolarHBondContact CE-O 3.26Å; Q30-S32 PolarHBondContact O-N 2.75Å; Q30-S32 VanDerWaalsContact O-N 3.11Å
33L96.2Very high93Very high10 Ų1031.2 Ų31.25%0.05218%0.181CC..  trans-73.9159.2179.5-64.7178.3000112K2 D3 I5 I26 L27 Q30 P31K2-L33 WeakPolarHBondContact CE-O 3.36Å; K2-L33 PolarHBondContact NZ-O 3.03Å; D3-L33 HydrophobicContact CB-CD2 3.55Å; D3-L33 CarbonylContact O-C 3.55Å; D3-L33 WeakPolarHBondContact O-CA 2.83Å; I5-L33 HydrophobicContact CD1-CD1 3.83Å; I5-L33 HydrophobicContact CG1-CD1 4.32Å; I26-L33 HydrophobicContact CG2-CD1 3.75Å; L27-L33 HydrophobicContact CD2-CB 4.46Å; L27-L33 WeakPolarHBondContact CD2-O 3.45Å; Q30-L33 HydrophobicContact CB-CD1 3.58Å; Q30-L33 HydrophobicContact CB-CG 3.92Å; Q30-L33 HydrophobicContact CG-CD1 4.21Å; Q30-L33 WeakPolarHBondContact O-CB 3.4Å; Q30-L33 PolarHBondContact O-N 3.18Å; P31-L33 VanDerWaalsContact C-N 3.3Å
34S96.9Very high91.3Very high13 Ų1336.9 Ų36.99%0.09122%0.22CC..EExtended strand (participates in β ladder)trans-113.4150.5158.549.90000110.7D3 S4 I5D3-S34 PolarHBondContact O-N 3.45Å; D3-S34 PolarHBondContact O-OG 3.33Å; S4-S34 WeakPolarHBondContact CA-O 3.31Å; S4-S34 WeakPolarHBondContact CB-O 3.45Å; S4-S34 VanDerWaalsContact CB-OG 3.23Å; S4-S34 WeakPolarHBondContact CB-OG 3.49Å; S4-S34 PolarHBondContact OG-O 3.2Å; S4-S34 PolarHBondContact OG-OG 2.97Å; I5-S34 PolarHBondContact N-O 3.24Å
35I98.3Very high89.1Confident0 Ų040.9 Ų40.90%024%0.244CC..EExtended strand (participates in β ladder)trans-114129.2176.7-58.2-59.3000108.6I5 L7 I26 L27 I37 S69 I70 T71I5-I35 HydrophobicContact CB-CD1 3.97Å; I5-I35 WeakPolarHBondContact O-CA 3.47Å; L7-I35 HydrophobicContact CD1-CG2 3.51Å; L7-I35 HydrophobicContact CG-CG2 3.81Å; I26-I35 HydrophobicContact CB-CD1 4.25Å; I26-I35 HydrophobicContact CD1-CD1 4.24Å; I26-I35 HydrophobicContact CG2-CD1 3.92Å; L27-I35 HydrophobicContact CD1-CG1 3.89Å; L27-I35 HydrophobicContact CD2-CG1 4.05Å; L27-I35 HydrophobicContact CG-CG1 3.76Å; I35-I37 HydrophobicContact CG2-CD1 4.45Å; I35-I37 HydrophobicContact CG2-CG1 3.89Å; I35-S69 PolarHBondContact N-O 3Å; I35-I70 HydrophobicContact CB-CG1 4.12Å; I35-I70 HydrophobicContact CG2-CG1 4.48Å; I35-I70 WeakPolarHBondContact O-CA 3.45Å; I35-T71 PolarHBondContact O-N 2.83Å; I35-T71 PolarHBondContact O-OG1 3.23Å
36T98Very high86.9Confident4 Ų440.6 Ų40.63%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-115.5119.6169.3-64.80000109.1I5 V6 L7 L38 T71 H73 L108I5-T36 PolarHBondContact O-N 2.91Å; V6-T36 CarbonylContact C-O 3.54Å; V6-T36 VanDerWaalsContact CA-O 3.26Å; V6-T36 WeakPolarHBondContact CA-O 3.4Å; L7-T36 PolarHBondContact N-O 3.38Å; T36-L38 HydrophobicContact CG2-CD2 4.34Å; T36-T71 CarbonylContact C-O 3.54Å; T36-T71 WeakPolarHBondContact CA-O 3.45Å; T36-T71 PolarHBondContact OG1-OG1 3.5Å; T36-T71 VanDerWaalsContact OG1-OG1 3.08Å; T36-H73 HydrophobicContact CG2-CB 4.13Å; T36-L108 HydrophobicContact CG2-CD1 4.08Å; T36-L108 HydrophobicContact CG2-CD2 4.32Å
37I98.1Very high84.3Confident0 Ų045.8 Ų45.80%028%0.278CS..EExtended strand (participates in β ladder)trans-100.1119.3179.3-53.8-173.7000109L7 P9 L16 V20 I35 I39 I70 T71 F72 H73L7-I37 HydrophobicContact CB-CG1 4.26Å; L7-I37 HydrophobicContact CD1-CD1 4.46Å; L7-I37 HydrophobicContact CD1-CG1 4.31Å; L7-I37 CarbonylContact O-C 3.58Å; L7-I37 VanDerWaalsContact O-CA 3.31Å; L7-I37 WeakPolarHBondContact O-CA 3.27Å; P9-I37 HydrophobicContact CG-CG2 3.79Å; L16-I37 HydrophobicContact CD1-CG2 4.12Å; V20-I37 HydrophobicContact CB-CD1 4.41Å; V20-I37 HydrophobicContact CG2-CD1 3.6Å; I35-I37 HydrophobicContact CG2-CD1 4.45Å; I35-I37 HydrophobicContact CG2-CG1 3.89Å; I37-I39 HydrophobicContact CG2-CD1 4Å; I37-I70 HydrophobicContact CD1-CG2 3.62Å; I37-I70 HydrophobicContact CG1-CG2 3.96Å; I37-T71 PolarHBondContact N-O 3.38Å; I37-F72 HydrophobicContact CB-CD1 3.89Å; I37-F72 HydrophobicContact CB-CE1 4.07Å; I37-F72 HydrophobicContact CD1-CE1 3.91Å; I37-F72 HydrophobicContact CD1-CZ 4.33Å; I37-F72 HydrophobicContact CG1-CE1 4.43Å; I37-F72 HydrophobicContact CG2-CD1 4.24Å; I37-F72 HydrophobicContact CG2-CE1 4.29Å; I37-F72 WeakPolarHBondContact O-CA 3.49Å; I37-H73 PolarHBondContact O-N 3.02Å
38L96.3Very high81.5Confident2 Ų248.9 Ų48.91%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-79.4133.3175.9-55.3-174000110.3V6 L7 Y8 P9 T36 H73 L101 V104V6-L38 HydrophobicContact CG1-CD1 3.8Å; V6-L38 HydrophobicContact CG1-CD2 4.03Å; V6-L38 HydrophobicContact CG1-CG 3.62Å; L7-L38 PolarHBondContact O-N 3.08Å; Y8-L38 HydrophobicContact CD1-CD1 4.43Å; Y8-L38 HydrophobicContact CD2-CB 3.59Å; Y8-L38 HydrophobicContact CD2-CD1 4.32Å; Y8-L38 HydrophobicContact CD2-CG 4.5Å; Y8-L38 HydrophobicContact CE2-CB 4.05Å; Y8-L38 HydrophobicContact CG-CB 4.15Å; Y8-L38 HydrophobicContact CG-CD1 4.14Å; P9-L38 VanDerWaalsContact CD-O 3.24Å; P9-L38 WeakPolarHBondContact CD-O 3.46Å; T36-L38 HydrophobicContact CG2-CD2 4.34Å; L38-H73 CarbonylContact C-O 3.58Å; L38-H73 WeakPolarHBondContact CA-O 3.43Å; L38-H73 HydrophobicContact CD2-CB 3.96Å; L38-L101 HydrophobicContact CD1-CD2 3.53Å; L38-V104 HydrophobicContact CD2-CG1 4.02Å
39I93.1Very high79Confident18 Ų1847.2 Ų47.29%0.09229%0.29CS..EExtended strand (participates in β ladder)trans-115.5120.5-178.8-57.1-62.3000109.9P9 L16 I37 T41 I60 F72 H73 L75P9-I39 HydrophobicContact CG-CD1 4.46Å; L16-I39 HydrophobicContact CD1-CD1 3.49Å; L16-I39 VanDerWaalsContact CD1-CD1 3.49Å; L16-I39 HydrophobicContact CD2-CD1 4.41Å; I37-I39 HydrophobicContact CG2-CD1 4Å; I39-T41 PolarHBondContact O-N 3.47Å; I39-I60 HydrophobicContact CD1-CD1 4.37Å; I39-I60 HydrophobicContact CG1-CD1 4.38Å; I39-F72 HydrophobicContact CD1-CD1 3.95Å; I39-F72 HydrophobicContact CG1-CB 4.38Å; I39-F72 HydrophobicContact CG1-CD1 4.05Å; I39-H73 PolarHBondContact N-O 3.17Å; I39-L75 PolarHBondContact O-N 3.04Å
40L89.6Confident76.4Confident10 Ų1048.9 Ų48.95%0.05231%0.307CS..  trans-65.2125.8168.1-74.9171.7000109.8Y8 L11 P42 L75 L93Y8-L40 HydrophobicContact CE2-CD2 4.16Å; Y8-L40 HydrophobicContact CE2-CG 3.94Å; Y8-L40 WeakPolarHBondContact OH-CD2 3.46Å; L11-L40 HydrophobicContact CB-CD1 4.28Å; L11-L40 HydrophobicContact CD1-CB 4.44Å; L40-P42 WeakPolarHBondContact O-CD 2.94Å; L40-L75 HydrophobicContact CD2-CD1 4.14Å; L40-L93 HydrophobicContact CB-CD2 4.16Å; L40-L93 HydrophobicContact CD1-CG 4.47Å; L40-L93 HydrophobicContact CD2-CG 4.26Å
41T84.1Confident73.8Confident33 Ų3356.4 Ų56.420%0.20234%0.339CS..  trans-101.2107.2176.9-52.30000109.1I39 L75 P77I39-T41 PolarHBondContact O-N 3.47Å; T41-L75 WeakPolarHBondContact CB-O 3.32Å; T41-L75 PolarHBondContact OG1-O 3.38Å; T41-P77 HydrophobicContact CG2-CB 4.39Å; T41-P77 HydrophobicContact CG2-CG 3.88Å
42P73.1Confident71.2Confident37 Ų3752.6 Ų52.624%0.2432%0.318CS..  trans-66.2152.4176.727.6-33.1000110.9L40 L93L40-P42 WeakPolarHBondContact O-CD 2.94Å; P42-L93 HydrophobicContact CB-CD2 4.34Å
43P70.3Confident68.9Low21 Ų2151.8 Ų51.814%0.13631%0.312CS..  trans-65.8144177.819.1-23.8000111.9N45 T46 I80P43-N45 PolarHBondContact O-N 3.38Å; P43-T46 HydrophobicContact CG-CG2 4.06Å; P43-T46 PolarHBondContact O-N 3.32Å; P43-T46 PolarHBondContact O-OG1 3.15Å; P43-I80 HydrophobicContact CG-CG1 4.05Å
44S62.5Low67Low119 Ų11957 Ų5783%0.83234%0.34SS*.THydrogen-bonded Turntrans-56.5-19.9-172.3-27.70000115.1
45N49.2Very low65.8Low140 Ų14058.7 Ų58.775%0.74935%0.352SS*.THydrogen-bonded Turntrans-104.915.3-170.8-62.5-7.8000113.5P43 P47P43-N45 PolarHBondContact O-N 3.38Å; N45-P47 VanDerWaalsContact O-CD 3.26Å; N45-P47 WeakPolarHBondContact O-CD 3.2Å
46T50Low64.9Low21 Ų2160.7 Ų60.713%0.12936%0.364CS..  trans-77.2116.717741.70000110.3P43 S48 T82P43-T46 HydrophobicContact CG-CG2 4.06Å; P43-T46 PolarHBondContact O-N 3.32Å; P43-T46 PolarHBondContact O-OG1 3.15Å; T46-S48 PolarHBondContact O-N 3.09Å; T46-T82 HydrophobicContact CG2-CG2 4.34Å
47P42.3Very low64.2Low109 Ų10964 Ų6471%0.70839%0.387SS*.THydrogen-bonded Turntrans-70.312.6-175.8-16.831.5000114.8N45N45-P47 VanDerWaalsContact O-CD 3.26Å; N45-P47 WeakPolarHBondContact O-CD 3.2Å
48S38.7Very low63.5Low82 Ų8270.3 Ų70.357%0.57342%0.417SS*.THydrogen-bonded Turntrans-142.634.1-164.758.90000114.1T46 P50T46-S48 PolarHBondContact O-N 3.09Å; S48-P50 WeakPolarHBondContact O-CD 3.48Å
49T41.9Very low63.1Low66 Ų6671.8 Ų71.841%0.40542%0.422SS..  trans-84.895.8151.4470000108.1K51T49-K51 PolarHBondContact O-N 3Å
50P39.9Very low63Low106 Ų10671.7 Ų71.769%0.68842%0.422SS*.  trans-65.295.2-176.326.5-35.3000109.9S48 G52S48-P50 WeakPolarHBondContact O-CD 3.48Å; P50-G52 VanDerWaalsContact O-CA 3.24Å; P50-G52 WeakPolarHBondContact O-CA 3.38Å; P50-G52 PolarHBondContact O-N 3.46Å
51K41.5Very low63.1Low213 Ų21374 Ų7493%0.92644%0.442SS*.SBendtrans36.829.5175.9-74.7-175.5175177.30115.4T49T49-K51 PolarHBondContact O-N 3Å
52G41.4Very low63.4Low21 Ų2175.1 Ų75.122%0.21646%0.455CS..  trans-117.2-15-158.600000113.4P50 D54 S55 T56P50-G52 VanDerWaalsContact O-CA 3.24Å; P50-G52 WeakPolarHBondContact O-CA 3.38Å; P50-G52 PolarHBondContact O-N 3.46Å; G52-D54 VanDerWaalsContact C-N 3.27Å; G52-D54 PolarHBondContact O-N 2.91Å; G52-S55 PolarHBondContact O-N 3.01Å; G52-S55 VanDerWaalsContact O-N 3.08Å; G52-S55 PolarHBondContact O-OG 3.43Å; G52-T56 PolarHBondContact O-N 2.82Å; G52-T56 VanDerWaalsContact O-N 3.09Å; G52-T56 PolarHBondContact O-OG1 3.42Å
53C46.5Very low64.4Low63 Ų6373.7 Ų73.743%0.42645%0.445SS..Hα-helixtrans-58.6-39.8173.4-81.20000111.5S55 T56 S57C53-S55 VanDerWaalsContact C-N 3.29Å; C53-S55 PolarHBondContact O-N 2.94Å; C53-T56 PolarHBondContact O-N 3.26Å; C53-S57 PolarHBondContact O-N 3.39Å; C53-S57 PolarHBondContact O-OG 3.02Å
54D55.2Low65.5Low118 Ų11875.6 Ų75.663%0.63146%0.457SS*.Hα-helixtrans-61.2-40.1174.8-72-10.7000111.6G52 T56 Q58G52-D54 VanDerWaalsContact C-N 3.27Å; G52-D54 PolarHBondContact O-N 2.91Å; D54-T56 PolarHBondContact O-N 3.46Å; D54-Q58 VanDerWaalsContact O-CB 3.28Å; D54-Q58 WeakPolarHBondContact O-CB 3.26Å; D54-Q58 WeakPolarHBondContact O-CG 3.49Å; D54-Q58 PolarHBondContact O-N 3.42Å
55S72.3Confident67Low49 Ų4973.9 Ų73.934%0.34345%0.45SS..Hα-helixtrans-67.8-35.3179.680.30000113.2G52 C53 Y59G52-S55 PolarHBondContact O-N 3.01Å; G52-S55 VanDerWaalsContact O-N 3.08Å; G52-S55 PolarHBondContact O-OG 3.43Å; C53-S55 VanDerWaalsContact C-N 3.29Å; C53-S55 PolarHBondContact O-N 2.94Å; S55-Y59 WeakPolarHBondContact O-CB 3.5Å; S55-Y59 PolarHBondContact O-N 3.15Å
56T78Confident69.1Low42 Ų4271 Ų7126%0.25845%0.446SS..Hα-helixtrans-73.9-44.7178.6-59.40000110.9L16 G52 C53 D54 Q58 Y59 I60L16-T56 HydrophobicContact CD2-CG2 3.78Å; G52-T56 PolarHBondContact O-N 2.82Å; G52-T56 VanDerWaalsContact O-N 3.09Å; G52-T56 PolarHBondContact O-OG1 3.42Å; C53-T56 PolarHBondContact O-N 3.26Å; D54-T56 PolarHBondContact O-N 3.46Å; T56-Q58 VanDerWaalsContact C-N 3.35Å; T56-Q58 PolarHBondContact O-N 3.45Å; T56-Y59 WeakPolarHBondContact O-CB 3.32Å; T56-Y59 PolarHBondContact O-N 2.91Å; T56-I60 HydrophobicContact CG2-CD1 4.09Å; T56-I60 WeakPolarHBondContact O-CG1 3.38Å; T56-I60 PolarHBondContact O-N 2.88Å
57S83.9Confident71.2Confident73 Ų7371.6 Ų71.651%0.5145%0.449SS..Hα-helixtrans-62.4-42.1176.5-62.80000111.7C53 Y59 I60 A61C53-S57 PolarHBondContact O-N 3.39Å; C53-S57 PolarHBondContact O-OG 3.02Å; S57-Y59 VanDerWaalsContact C-N 3.34Å; S57-Y59 PolarHBondContact O-N 3.44Å; S57-I60 PolarHBondContact O-N 3.28Å; S57-A61 WeakPolarHBondContact O-CB 3.39Å; S57-A61 PolarHBondContact O-N 3.34Å
58Q84.6Confident73.7Confident133 Ų13371.2 Ų71.262%0.62145%0.447SS*.Hα-helixtrans-61.7-41.4173.3-74.2170.515.400111.9D54 T56 A61 A62D54-Q58 VanDerWaalsContact O-CB 3.28Å; D54-Q58 WeakPolarHBondContact O-CB 3.26Å; D54-Q58 WeakPolarHBondContact O-CG 3.49Å; D54-Q58 PolarHBondContact O-N 3.42Å; T56-Q58 VanDerWaalsContact C-N 3.35Å; T56-Q58 PolarHBondContact O-N 3.45Å; Q58-A61 PolarHBondContact O-N 2.93Å; Q58-A62 WeakPolarHBondContact O-CB 3.39Å; Q58-A62 PolarHBondContact O-N 2.95Å
59Y87.4Confident76.5Confident33 Ų3369.4 Ų69.413%0.12943%0.434CS..Hα-helixtrans-63.1-47.2176176.3-103.1000112L16 V17 V20 S55 T56 S57 A61 A62 V63L16-Y59 HydrophobicContact CD2-CD1 4.18Å; L16-Y59 HydrophobicContact CD2-CE1 4.42Å; L16-Y59 HydrophobicContact CG-CE1 4.26Å; V17-Y59 HydrophobicContact CG2-CD1 4.45Å; V17-Y59 HydrophobicContact CG2-CE1 3.83Å; V17-Y59 HydrophobicContact CG2-CE2 4.12Å; V20-Y59 WeakPolarHBondContact CG1-OH 3.48Å; V20-Y59 HydrophobicContact CG2-CE1 4.1Å; S55-Y59 WeakPolarHBondContact O-CB 3.5Å; S55-Y59 PolarHBondContact O-N 3.15Å; T56-Y59 WeakPolarHBondContact O-CB 3.32Å; T56-Y59 PolarHBondContact O-N 2.91Å; S57-Y59 VanDerWaalsContact C-N 3.34Å; S57-Y59 PolarHBondContact O-N 3.44Å; Y59-A61 VanDerWaalsContact C-N 3.33Å; Y59-A61 PolarHBondContact O-N 3.24Å; Y59-A62 PolarHBondContact O-N 2.66Å; Y59-V63 HydrophobicContact CD1-CG2 4.37Å; Y59-V63 HydrophobicContact CD2-CG2 4.4Å; Y59-V63 HydrophobicContact CE1-CG2 3.92Å; Y59-V63 HydrophobicContact CE2-CG2 3.96Å; Y59-V63 WeakPolarHBondContact O-CG2 3.49Å; Y59-V63 PolarHBondContact O-N 2.77Å
60I91.1Very high79.1Confident17 Ų1766.2 Ų66.29%0.08742%0.415CS..Hα-helixtrans-58.9-44.9176.5-73.2172.6000110.9L16 I39 T56 S57 A62 V63 T64 F72L16-I60 HydrophobicContact CD2-CD1 4.19Å; L16-I60 HydrophobicContact CD2-CG1 4.09Å; I39-I60 HydrophobicContact CD1-CD1 4.37Å; I39-I60 HydrophobicContact CG1-CD1 4.38Å; T56-I60 HydrophobicContact CG2-CD1 4.09Å; T56-I60 WeakPolarHBondContact O-CG1 3.38Å; T56-I60 PolarHBondContact O-N 2.88Å; S57-I60 PolarHBondContact O-N 3.28Å; I60-A62 PolarHBondContact O-N 3.3Å; I60-V63 PolarHBondContact O-N 3.39Å; I60-T64 WeakPolarHBondContact O-CB 3.38Å; I60-T64 PolarHBondContact O-N 3.04Å; I60-T64 PolarHBondContact O-OG1 3.4Å; I60-F72 HydrophobicContact CD1-CD1 4.43Å; I60-F72 HydrophobicContact CG1-CD1 4.17Å; I60-F72 HydrophobicContact CG1-CE1 4.08Å; I60-F72 HydrophobicContact CG1-CZ 4.39Å; I60-F72 HydrophobicContact CG2-CB 4.17Å; I60-F72 HydrophobicContact CG2-CD1 4.17Å; I60-F72 HydrophobicContact CG2-CD2 3.6Å; I60-F72 HydrophobicContact CG2-CE1 4.47Å; I60-F72 HydrophobicContact CG2-CE2 3.95Å; I60-F72 HydrophobicContact CG2-CG 3.71Å; I60-F72 HydrophobicContact CG2-CZ 4.36Å
61A91.6Very high81.8Confident58 Ų5864.4 Ų64.448%0.47940%0.402SS..Hα-helixtrans-61.4-43.4176.700000111.9S57 Q58 Y59 T64 A65S57-A61 WeakPolarHBondContact O-CB 3.39Å; S57-A61 PolarHBondContact O-N 3.34Å; Q58-A61 PolarHBondContact O-N 2.93Å; Y59-A61 VanDerWaalsContact C-N 3.33Å; Y59-A61 PolarHBondContact O-N 3.24Å; A61-T64 PolarHBondContact O-N 2.88Å; A61-A65 WeakPolarHBondContact O-CB 3.23Å; A61-A65 PolarHBondContact O-N 3.32Å
62A91.1Very high84.5Confident57 Ų5756 Ų5647%0.47137%0.365SS..Hα-helixtrans-62.9-42.8176.900000112.2Q58 Y59 I60 A65 A66Q58-A62 WeakPolarHBondContact O-CB 3.39Å; Q58-A62 PolarHBondContact O-N 2.95Å; Y59-A62 PolarHBondContact O-N 2.66Å; I60-A62 PolarHBondContact O-N 3.3Å; A62-A65 PolarHBondContact O-N 2.95Å; A62-A66 VanDerWaalsContact O-CB 3.29Å; A62-A66 WeakPolarHBondContact O-CB 3.38Å; A62-A66 PolarHBondContact O-N 2.8Å
63V93.2Very high87Confident6 Ų658 Ų584%0.03637%0.369CS..Hα-helixtrans-65.3-43.4176.1175.20000111V20 Y59 I60 A65 A66 T67 I70 F72V20-V63 HydrophobicContact CG1-CG1 3.77Å; V20-V63 HydrophobicContact CG1-CG2 3.87Å; V20-V63 HydrophobicContact CG2-CG1 4.48Å; Y59-V63 HydrophobicContact CD1-CG2 4.37Å; Y59-V63 HydrophobicContact CD2-CG2 4.4Å; Y59-V63 HydrophobicContact CE1-CG2 3.92Å; Y59-V63 HydrophobicContact CE2-CG2 3.96Å; Y59-V63 WeakPolarHBondContact O-CG2 3.49Å; Y59-V63 PolarHBondContact O-N 2.77Å; I60-V63 PolarHBondContact O-N 3.39Å; V63-A65 VanDerWaalsContact C-N 3.31Å; V63-A65 PolarHBondContact O-N 3.42Å; V63-A66 PolarHBondContact O-N 3.12Å; V63-T67 PolarHBondContact O-N 2.78Å; V63-I70 HydrophobicContact CG1-CD1 4.33Å; V63-I70 HydrophobicContact CG1-CG2 4.31Å; V63-F72 HydrophobicContact CB-CE2 4.11Å; V63-F72 HydrophobicContact CB-CZ 3.97Å; V63-F72 HydrophobicContact CG1-CE2 3.91Å; V63-F72 HydrophobicContact CG1-CZ 3.72Å
64T94.3Very high89.3Confident62 Ų6259.5 Ų59.538%0.3837%0.369SS..Hα-helixtrans-61.3-41.9179-570000111.2I60 A61 F72I60-T64 WeakPolarHBondContact O-CB 3.38Å; I60-T64 PolarHBondContact O-N 3.04Å; I60-T64 PolarHBondContact O-OG1 3.4Å; A61-T64 PolarHBondContact O-N 2.88Å; T64-F72 WeakPolarHBondContact OG1-CD2 3.46Å; T64-F72 WeakPolarHBondContact OG1-CE2 3.46Å
65A93.8Very high91Very high83 Ų8354 Ų5469%0.68634%0.34SS*.Hα-helixtrans-68.1-40.8176.400000112.6A61 A62 V63A61-A65 WeakPolarHBondContact O-CB 3.23Å; A61-A65 PolarHBondContact O-N 3.32Å; A62-A65 PolarHBondContact O-N 2.95Å; V63-A65 VanDerWaalsContact C-N 3.31Å; V63-A65 PolarHBondContact O-N 3.42Å
66A93.1Very high91.9Very high79 Ų7954.3 Ų54.365%0.65334%0.341SS*.Hα-helixtrans-80.4-25.6-177.600000113.8A62 V63A62-A66 VanDerWaalsContact O-CB 3.29Å; A62-A66 WeakPolarHBondContact O-CB 3.38Å; A62-A66 PolarHBondContact O-N 2.8Å; V63-A66 PolarHBondContact O-N 3.12Å
67T94.4Very high92.3Very high33 Ų3356.1 Ų56.120%0.20235%0.353CS..  trans-143.278-175.2-48.40000111.2L27 V63 S69 I70L27-T67 HydrophobicContact CD1-CG2 3.98Å; V63-T67 PolarHBondContact O-N 2.78Å; T67-S69 PolarHBondContact O-N 3.47Å; T67-I70 HydrophobicContact CG2-CB 4.5Å; T67-I70 HydrophobicContact CG2-CD1 3.81Å; T67-I70 HydrophobicContact CG2-CG1 3.81Å; T67-I70 PolarHBondContact O-N 3.4Å
68P94.5Very high92.2Very high101 Ų10153.6 Ų53.666%0.65634%0.335SS*.THydrogen-bonded Turntrans-61.5-16-175.4-25.435.1000115.7I70P68-I70 PolarHBondContact O-N 2.92Å
69S96.3Very high92Very high44 Ų4455.8 Ų55.831%0.30835%0.345SS..THydrogen-bonded Turntrans-76.7-6.7173.3-69.30000113.6I35 T67I35-S69 PolarHBondContact N-O 3Å; T67-S69 PolarHBondContact O-N 3.47Å
70I97.7Very high91.4Very high0 Ų055 Ų550%034%0.343CS..EExtended strand (participates in β ladder)trans-101.3117.2168.2-60178.1000107.7K24 L27 I35 I37 V63 T67 P68 F72K24-I70 HydrophobicContact CG-CD1 3.84Å; L27-I70 HydrophobicContact CD1-CD1 4.14Å; L27-I70 HydrophobicContact CD1-CG1 3.54Å; I35-I70 HydrophobicContact CB-CG1 4.12Å; I35-I70 HydrophobicContact CG2-CG1 4.48Å; I35-I70 WeakPolarHBondContact O-CA 3.45Å; I37-I70 HydrophobicContact CD1-CG2 3.62Å; I37-I70 HydrophobicContact CG1-CG2 3.96Å; V63-I70 HydrophobicContact CG1-CD1 4.33Å; V63-I70 HydrophobicContact CG1-CG2 4.31Å; T67-I70 HydrophobicContact CG2-CB 4.5Å; T67-I70 HydrophobicContact CG2-CD1 3.81Å; T67-I70 HydrophobicContact CG2-CG1 3.81Å; T67-I70 PolarHBondContact O-N 3.4Å; P68-I70 PolarHBondContact O-N 2.92Å; I70-F72 HydrophobicContact CG2-CE2 3.98Å; I70-F72 HydrophobicContact CG2-CZ 3.97Å
71T97.1Very high90.3Very high68 Ų6858.5 Ų58.542%0.41737%0.367SS..EExtended strand (participates in β ladder)trans-110.4152.9172.660.90000110.6I35 T36 I37I35-T71 PolarHBondContact O-N 2.83Å; I35-T71 PolarHBondContact O-OG1 3.23Å; T36-T71 CarbonylContact C-O 3.54Å; T36-T71 WeakPolarHBondContact CA-O 3.45Å; T36-T71 PolarHBondContact OG1-OG1 3.5Å; T36-T71 VanDerWaalsContact OG1-OG1 3.08Å; I37-T71 PolarHBondContact N-O 3.38Å
72F96.4Very high89Confident36 Ų3659.9 Ų59.916%0.15837%0.369CS..EExtended strand (participates in β ladder)trans-114.7130179.2-63.8-90.6000109.8L16 V20 I37 I39 I60 V63 T64 I70L16-F72 HydrophobicContact CD1-CE1 4.16Å; V20-F72 HydrophobicContact CG2-CE1 4.06Å; V20-F72 HydrophobicContact CG2-CZ 4.03Å; I37-F72 HydrophobicContact CB-CD1 3.89Å; I37-F72 HydrophobicContact CB-CE1 4.07Å; I37-F72 HydrophobicContact CD1-CE1 3.91Å; I37-F72 HydrophobicContact CD1-CZ 4.33Å; I37-F72 HydrophobicContact CG1-CE1 4.43Å; I37-F72 HydrophobicContact CG2-CD1 4.24Å; I37-F72 HydrophobicContact CG2-CE1 4.29Å; I37-F72 WeakPolarHBondContact O-CA 3.49Å; I39-F72 HydrophobicContact CD1-CD1 3.95Å; I39-F72 HydrophobicContact CG1-CB 4.38Å; I39-F72 HydrophobicContact CG1-CD1 4.05Å; I60-F72 HydrophobicContact CD1-CD1 4.43Å; I60-F72 HydrophobicContact CG1-CD1 4.17Å; I60-F72 HydrophobicContact CG1-CE1 4.08Å; I60-F72 HydrophobicContact CG1-CZ 4.39Å; I60-F72 HydrophobicContact CG2-CB 4.17Å; I60-F72 HydrophobicContact CG2-CD1 4.17Å; I60-F72 HydrophobicContact CG2-CD2 3.6Å; I60-F72 HydrophobicContact CG2-CE1 4.47Å; I60-F72 HydrophobicContact CG2-CE2 3.95Å; I60-F72 HydrophobicContact CG2-CG 3.71Å; I60-F72 HydrophobicContact CG2-CZ 4.36Å; V63-F72 HydrophobicContact CB-CE2 4.11Å; V63-F72 HydrophobicContact CB-CZ 3.97Å; V63-F72 HydrophobicContact CG1-CE2 3.91Å; V63-F72 HydrophobicContact CG1-CZ 3.72Å; T64-F72 WeakPolarHBondContact OG1-CD2 3.46Å; T64-F72 WeakPolarHBondContact OG1-CE2 3.46Å; I70-F72 HydrophobicContact CG2-CE2 3.98Å; I70-F72 HydrophobicContact CG2-CZ 3.97Å
73H95.2Very high88Confident63 Ų6364.7 Ų64.729%0.29239%0.385SS..EExtended strand (participates in β ladder)trans-118109.8175.9-171.8-50000109.6T36 I37 L38 I39 L75T36-H73 HydrophobicContact CG2-CB 4.13Å; I37-H73 PolarHBondContact O-N 3.02Å; L38-H73 CarbonylContact C-O 3.58Å; L38-H73 WeakPolarHBondContact CA-O 3.43Å; L38-H73 HydrophobicContact CD2-CB 3.96Å; I39-H73 PolarHBondContact N-O 3.17Å; H73-L75 PolarHBondContact O-N 3.49Å
74H93.2Very high86.9Confident95 Ų9567.1 Ų67.144%0.4440%0.398SS..EExtended strand (participates in β ladder)trans-73.7126.3175-71.2-95.7000110.4
75L92.7Very high85.8Confident1 Ų167.4 Ų67.41%0.00540%0.401CS..PPolyproline II helixtrans-73.3145.5169.6-62.9-179.5000108.9Y8 I39 L40 T41 H73 L101 V104Y8-L75 HydrophobicContact CE2-CD1 3.86Å; Y8-L75 VanDerWaalsContact OH-CD1 3.25Å; Y8-L75 WeakPolarHBondContact OH-CD1 3.35Å; I39-L75 PolarHBondContact O-N 3.04Å; L40-L75 HydrophobicContact CD2-CD1 4.14Å; T41-L75 WeakPolarHBondContact CB-O 3.32Å; T41-L75 PolarHBondContact OG1-O 3.38Å; H73-L75 PolarHBondContact O-N 3.49Å; L75-L101 HydrophobicContact CD1-CD2 4.15Å; L75-L101 HydrophobicContact CD2-CD2 4.3Å; L75-V104 HydrophobicContact CD2-CB 4.47Å; L75-V104 HydrophobicContact CD2-CG1 4.44Å; L75-V104 HydrophobicContact CD2-CG2 3.85Å
76P90.5Very high84.6Confident57 Ų5768.7 Ų68.737%0.3740%0.402SS..PPolyproline II helixtrans-55.3145.3176.4-23.232.5000111.5T78P76-T78 PolarHBondContact O-N 3.04Å
77P85.6Confident83.5Confident80 Ų8067.7 Ų67.752%0.51938%0.384SS..PPolyproline II helixtrans-59.2133.5177.2-19.229.2000111.1T41T41-P77 HydrophobicContact CG2-CB 4.39Å; T41-P77 HydrophobicContact CG2-CG 3.88Å
78T83.4Confident82.8Confident19 Ų1966.7 Ų66.712%0.11738%0.377CS..  trans-114137.2174.2-44.30000109.7P76 S97P76-T78 PolarHBondContact O-N 3.04Å; T78-S97 PolarHBondContact OG1-OG 3.25Å
79Q78.7Confident82Confident180 Ų18063.2 Ų63.284%0.84135%0.353SS*.  trans-72.6133.8173.6-71.1-172-9.800110.2
80I74.9Confident81.3Confident17 Ų1761.4 Ų61.49%0.08734%0.34CS..  trans-133.7154.4175.156.2-178.4000109.7P43 T82 L89 L93P43-I80 HydrophobicContact CG-CG1 4.05Å; I80-T82 PolarHBondContact O-N 3.27Å; I80-L89 HydrophobicContact CD1-CD1 3.37Å; I80-L89 HydrophobicContact CD1-CG 4.02Å; I80-L89 HydrophobicContact CG1-CD1 4.25Å; I80-L93 HydrophobicContact CD1-CB 3.88Å; I80-L93 HydrophobicContact CD1-CD1 4.08Å; I80-L93 HydrophobicContact CD1-CG 4.36Å; I80-L93 HydrophobicContact CG2-CB 4.45Å; I80-L93 HydrophobicContact CG2-CD1 4.16Å
81P69.6Low80.6Confident90 Ų9061.6 Ų61.658%0.58434%0.341SS*.  trans-54.8128169.7-21.832.7000110.4I83P81-I83 VanDerWaalsContact C-N 3.29Å; P81-I83 PolarHBondContact O-N 3.46Å
82T63.4Low80.1Confident86 Ų8659.8 Ų59.853%0.52833%0.328SS..SBendtrans-76.5-7.7-170.128.70000114.9T46 I80T46-T82 HydrophobicContact CG2-CG2 4.34Å; I80-T82 PolarHBondContact O-N 3.27Å
83I70.4Confident79.6Confident159 Ų15958 Ų5882%0.81532%0.32SS*.  trans-121.270.9-172.4-44.9175.8000110P81P81-I83 VanDerWaalsContact C-N 3.29Å; P81-I83 PolarHBondContact O-N 3.46Å
84L70.2Confident79.2Confident56 Ų5655.1 Ų55.129%0.29331%0.307SS..  trans-125.7146.4173.3-67.2170.8000110.2I88 L89 E92L84-I88 HydrophobicContact CB-CB 4.4Å; L84-I88 HydrophobicContact CB-CG2 4.29Å; L84-I88 HydrophobicContact CD1-CG2 4.24Å; L84-I88 HydrophobicContact CD2-CG2 4.04Å; L84-I88 HydrophobicContact CG-CG2 4.42Å; L84-L89 HydrophobicContact CB-CB 4.3Å; L84-L89 HydrophobicContact CB-CD1 4.25Å; L84-E92 HydrophobicContact CD1-CB 3.95Å; L84-E92 HydrophobicContact CD1-CG 3.77Å
85P69.8Low78.9Confident69 Ų6957.1 Ų57.145%0.44831%0.311SS..  trans-53.9147.2169.3-24.533.9000111.2H87 I88 L89P85-H87 VanDerWaalsContact C-N 3.32Å; P85-H87 PolarHBondContact O-N 2.89Å; P85-H87 VanDerWaalsContact O-N 3.14Å; P85-I88 HydrophobicContact CB-CG1 4.25Å; P85-I88 HydrophobicContact CG-CG1 4.33Å; P85-I88 PolarHBondContact O-N 3.45Å; P85-L89 PolarHBondContact O-N 3.21Å
86P69.5Low78.8Confident110 Ų11058.5 Ų58.571%0.71432%0.321SS*.Hα-helixtrans-53.5-39.8-170.6-29.435.3000115.8L89 S90P86-L89 WeakPolarHBondContact O-CB 3.38Å; P86-L89 PolarHBondContact O-N 3.34Å; P86-S90 PolarHBondContact O-N 3.46Å; P86-S90 VanDerWaalsContact O-N 3.12Å
87H70.2Confident78.8Confident57 Ų5755.8 Ų55.826%0.26430%0.303SS..Hα-helixtrans-70.5-38.4178.360.5-67.2000112.3P85 L89 S90 L91 M122 S196P85-H87 VanDerWaalsContact C-N 3.32Å; P85-H87 PolarHBondContact O-N 2.89Å; P85-H87 VanDerWaalsContact O-N 3.14Å; H87-L89 VanDerWaalsContact C-N 3.34Å; H87-S90 PolarHBondContact O-N 2.98Å; H87-L91 WeakPolarHBondContact O-CG 3.28Å; H87-L91 PolarHBondContact O-N 3.31Å; H87-M122 HydrophobicContact CB-CE 4.46Å; H87-S196 PolarHBondContact NE2-OG 3.11Å
88I78.8Confident79Confident12 Ų1252.4 Ų52.46%0.06228%0.281CS..Hα-helixtrans-68.7-37174.4-55.6-60.3000110.6L84 P85 S90 L91 E92 L199L84-I88 HydrophobicContact CB-CB 4.4Å; L84-I88 HydrophobicContact CB-CG2 4.29Å; L84-I88 HydrophobicContact CD1-CG2 4.24Å; L84-I88 HydrophobicContact CD2-CG2 4.04Å; L84-I88 HydrophobicContact CG-CG2 4.42Å; P85-I88 HydrophobicContact CB-CG1 4.25Å; P85-I88 HydrophobicContact CG-CG1 4.33Å; P85-I88 PolarHBondContact O-N 3.45Å; I88-S90 VanDerWaalsContact C-N 3.33Å; I88-S90 PolarHBondContact O-N 3.38Å; I88-L91 PolarHBondContact O-N 3.28Å; I88-E92 HydrophobicContact CG2-CG 4.06Å; I88-E92 WeakPolarHBondContact O-CB 3.29Å; I88-E92 WeakPolarHBondContact O-CG 3.43Å; I88-E92 PolarHBondContact O-N 2.85Å; I88-L199 HydrophobicContact CD1-CD1 3.58Å
89L78.7Confident79.4Confident28 Ų2857.3 Ų57.315%0.14730%0.302CS..Hα-helixtrans-59.1-45.2175.3-171.475000111.3I80 L84 P85 P86 H87 E92 L93I80-L89 HydrophobicContact CD1-CD1 3.37Å; I80-L89 HydrophobicContact CD1-CG 4.02Å; I80-L89 HydrophobicContact CG1-CD1 4.25Å; L84-L89 HydrophobicContact CB-CB 4.3Å; L84-L89 HydrophobicContact CB-CD1 4.25Å; P85-L89 PolarHBondContact O-N 3.21Å; P86-L89 WeakPolarHBondContact O-CB 3.38Å; P86-L89 PolarHBondContact O-N 3.34Å; H87-L89 VanDerWaalsContact C-N 3.34Å; L89-E92 PolarHBondContact O-N 3.08Å; L89-L93 WeakPolarHBondContact O-CB 3.36Å; L89-L93 PolarHBondContact O-N 3.5Å
90S80.7Confident80.1Confident6 Ų650.5 Ų50.54%0.04227%0.27CS..Hα-helixtrans-59.5-46.5176.4-171.50000111.6L11 P86 H87 I88 S94L11-S90 WeakPolarHBondContact CB-OG 3.37Å; L11-S90 PolarHBondContact N-OG 3.11Å; L11-S90 VanDerWaalsContact N-OG 3.1Å; P86-S90 PolarHBondContact O-N 3.46Å; P86-S90 VanDerWaalsContact O-N 3.12Å; H87-S90 PolarHBondContact O-N 2.98Å; I88-S90 VanDerWaalsContact C-N 3.33Å; I88-S90 PolarHBondContact O-N 3.38Å; S90-S94 VanDerWaalsContact O-CB 3.28Å; S90-S94 WeakPolarHBondContact O-CB 3.3Å; S90-S94 PolarHBondContact O-N 3.36Å
91L84.3Confident81Confident5 Ų549.8 Ų49.83%0.02627%0.266CS..Hα-helixtrans-64.1-46.6178.4-66.7175000112.6H87 I88 S94 R95 M122 F124 L199 I203H87-L91 WeakPolarHBondContact O-CG 3.28Å; H87-L91 PolarHBondContact O-N 3.31Å; I88-L91 PolarHBondContact O-N 3.28Å; L91-S94 PolarHBondContact O-N 2.88Å; L91-R95 WeakPolarHBondContact O-CB 3.44Å; L91-R95 PolarHBondContact O-N 3.33Å; L91-M122 HydrophobicContact CD1-CE 3.89Å; L91-M122 HydrophobicContact CD2-CB 3.85Å; L91-M122 HydrophobicContact CD2-CE 3.63Å; L91-M122 WeakPolarHBondContact CD2-O 3.36Å; L91-M122 HydrophobicContact CD2-SD 4.05Å; L91-M122 HydrophobicContact CG-CE 3.66Å; L91-F124 HydrophobicContact CD2-CD1 4.46Å; L91-F124 HydrophobicContact CD2-CE1 4.32Å; L91-L199 HydrophobicContact CD1-CB 4.09Å; L91-L199 HydrophobicContact CD1-CD1 3.82Å; L91-L199 HydrophobicContact CD1-CG 4.38Å; L91-I203 HydrophobicContact CD2-CD1 4.16Å
92E85.8Confident82.2Confident29 Ų2948 Ų4814%0.13626%0.255CS..Hα-helixtrans-70.3-37.5-179.2-72.6-58.9153.200112.3L84 I88 L89 R95 S96L84-E92 HydrophobicContact CD1-CB 3.95Å; L84-E92 HydrophobicContact CD1-CG 3.77Å; I88-E92 HydrophobicContact CG2-CG 4.06Å; I88-E92 WeakPolarHBondContact O-CB 3.29Å; I88-E92 WeakPolarHBondContact O-CG 3.43Å; I88-E92 PolarHBondContact O-N 2.85Å; L89-E92 PolarHBondContact O-N 3.08Å; E92-R95 IonicContact OE1-NE 2.62Å; E92-R95 IonicContact OE2-CZ 3.94Å; E92-R95 VanDerWaalsContact OE2-CZ 3.26Å; E92-R95 IonicContact OE2-NE 3.18Å; E92-R95 PolarHBondContact OE2-NE 3.44Å; E92-R95 IonicContact OE2-NH2 3.13Å; E92-R95 PolarHBondContact OE2-NH2 3.39Å; E92-S96 WeakPolarHBondContact O-CB 3.3Å; E92-S96 PolarHBondContact O-N 3.25Å; E92-S96 PolarHBondContact O-OG 2.9Å
93L85.5Confident83.6Confident0 Ų050.7 Ų50.70%026%0.261CS..Hα-helixtrans-62.5-48172.7-179.257000110.6L11 L40 P42 I80 L89 S96 S97L11-L93 HydrophobicContact CD1-CD2 4.31Å; L11-L93 HydrophobicContact CD2-CD2 3.82Å; L11-L93 HydrophobicContact CG-CD2 4.48Å; L40-L93 HydrophobicContact CB-CD2 4.16Å; L40-L93 HydrophobicContact CD1-CG 4.47Å; L40-L93 HydrophobicContact CD2-CG 4.26Å; P42-L93 HydrophobicContact CB-CD2 4.34Å; I80-L93 HydrophobicContact CD1-CB 3.88Å; I80-L93 HydrophobicContact CD1-CD1 4.08Å; I80-L93 HydrophobicContact CD1-CG 4.36Å; I80-L93 HydrophobicContact CG2-CB 4.45Å; I80-L93 HydrophobicContact CG2-CD1 4.16Å; L89-L93 WeakPolarHBondContact O-CB 3.36Å; L89-L93 PolarHBondContact O-N 3.5Å; L93-S96 PolarHBondContact O-N 3.33Å; L93-S97 WeakPolarHBondContact O-CB 3.27Å; L93-S97 PolarHBondContact O-N 3.08Å; L93-S97 PolarHBondContact O-OG 3.42Å; L93-S97 VanDerWaalsContact O-OG 3.11Å
94S86.9Confident84.8Confident1 Ų143.4 Ų43.41%0.00722%0.224CC..Hα-helixtrans-55.7-54.1175.4-175.30000111.7S90 L91 S96 S97 N98 N123S90-S94 VanDerWaalsContact O-CB 3.28Å; S90-S94 WeakPolarHBondContact O-CB 3.3Å; S90-S94 PolarHBondContact O-N 3.36Å; L91-S94 PolarHBondContact O-N 2.88Å; S94-S96 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 2.89Å; S94-S97 PolarHBondContact O-N 3.04Å; S94-S97 VanDerWaalsContact O-N 3.16Å; S94-N98 PolarHBondContact O-N 3.38Å; S94-N98 PolarHBondContact O-ND2 3.27Å; S94-N98 PolarHBondContact O-OD1 3.06Å; S94-N98 VanDerWaalsContact O-OD1 3.1Å; S94-N123 WeakPolarHBondContact CB-OD1 3.44Å; S94-N123 VanDerWaalsContact OG-CG 3.27Å; S94-N123 PolarHBondContact OG-OD1 2.95Å
95R88.3Confident85.9Confident137 Ų13741 Ų4152%0.51721%0.211SC..Hα-helixtrans-55.6-44.5178.2-170.8179.672.592.20.9111.9L91 E92 C125L91-R95 WeakPolarHBondContact O-CB 3.44Å; L91-R95 PolarHBondContact O-N 3.33Å; E92-R95 IonicContact OE1-NE 2.62Å; E92-R95 IonicContact OE2-CZ 3.94Å; E92-R95 VanDerWaalsContact OE2-CZ 3.26Å; E92-R95 IonicContact OE2-NE 3.18Å; E92-R95 PolarHBondContact OE2-NE 3.44Å; E92-R95 IonicContact OE2-NH2 3.13Å; E92-R95 PolarHBondContact OE2-NH2 3.39Å; R95-C125 HydrophobicContact CB-CB 4.45Å; R95-C125 HydrophobicContact CG-CB 4.35Å
96S88.8Confident87Confident31 Ų3141 Ų4122%0.21721%0.21CC..Hα-helixtrans-70.6-36.5-179-56.90000111.9E92 L93 S94 H99E92-S96 WeakPolarHBondContact O-CB 3.3Å; E92-S96 PolarHBondContact O-N 3.25Å; E92-S96 PolarHBondContact O-OG 2.9Å; L93-S96 PolarHBondContact O-N 3.33Å; S94-S96 VanDerWaalsContact C-N 3.29Å; S94-S96 PolarHBondContact O-N 2.89Å; S96-H99 PolarHBondContact O-CE1 2.96Å; S96-H99 PolarHBondContact O-ND1 2.62Å
97S90.7Very high88.2Confident0 Ų038.4 Ų38.40%019%0.194CC..Hα-helixtrans-78.6-15.1179.5-64.90000114.1T78 L93 S94 H99 H100T78-S97 PolarHBondContact OG1-OG 3.25Å; L93-S97 WeakPolarHBondContact O-CB 3.27Å; L93-S97 PolarHBondContact O-N 3.08Å; L93-S97 PolarHBondContact O-OG 3.42Å; L93-S97 VanDerWaalsContact O-OG 3.11Å; S94-S97 PolarHBondContact O-N 3.04Å; S94-S97 VanDerWaalsContact O-N 3.16Å; S97-H99 PolarHBondContact O-N 3.49Å; S97-H99 VanDerWaalsContact O-N 3.09Å; S97-H100 WeakPolarHBondContact O-CB 3.12Å; S97-H100 PolarHBondContact O-CD2 3.31Å; S97-H100 PolarHBondContact O-N 2.84Å
98N91.3Very high89.4Confident9 Ų936.7 Ų36.75%0.04819%0.187CC..G310 helixtrans-60.7-22.2-176.7-76.2-19000114.5S94 H100 L101 P102 C125 A126 V129S94-N98 PolarHBondContact O-N 3.38Å; S94-N98 PolarHBondContact O-ND2 3.27Å; S94-N98 PolarHBondContact O-OD1 3.06Å; S94-N98 VanDerWaalsContact O-OD1 3.1Å; N98-H100 PolarHBondContact O-N 3.38Å; N98-L101 HydrophobicContact CB-CD1 4.16Å; N98-L101 WeakPolarHBondContact O-CB 3.45Å; N98-L101 PolarHBondContact O-N 2.97Å; N98-L101 VanDerWaalsContact OD1-CD1 3.3Å; N98-L101 WeakPolarHBondContact OD1-CD1 3.36Å; N98-P102 WeakPolarHBondContact O-CD 3.5Å; N98-C125 VanDerWaalsContact ND2-C 3.33Å; N98-C125 WeakPolarHBondContact ND2-CB 3.4Å; N98-A126 PolarHBondContact ND2-N 3.45Å; N98-A126 VanDerWaalsContact ND2-N 3.18Å; N98-V129 HydrophobicContact CB-CG2 4.43Å
99H91Very high90.1Very high121 Ų12138.6 Ų38.656%0.5620%0.202SC*.G310 helixtrans-64.2-17.6174.675.5-79.5000113.4S96 S97 P102S96-H99 PolarHBondContact O-CE1 2.96Å; S96-H99 PolarHBondContact O-ND1 2.62Å; S97-H99 PolarHBondContact O-N 3.49Å; S97-H99 VanDerWaalsContact O-N 3.09Å; H99-P102 WeakPolarHBondContact O-CD 3.3Å
100H93Very high90.8Very high38 Ų3844.6 Ų44.618%0.17623%0.226CC..G310 helixtrans-80.5-23.2172.9-61.7-54.8000113.2S97 N98 H103 V104S97-H100 WeakPolarHBondContact O-CB 3.12Å; S97-H100 PolarHBondContact O-CD2 3.31Å; S97-H100 PolarHBondContact O-N 2.84Å; N98-H100 PolarHBondContact O-N 3.38Å; H100-H103 PolarHBondContact O-N 2.88Å; H100-V104 WeakPolarHBondContact O-CG2 3.44Å; H100-V104 PolarHBondContact O-N 3.29Å; H100-V104 VanDerWaalsContact O-N 3.09Å
101L94Very high91.5Very high2 Ų248.8 Ų48.81%0.0125%0.252CS..Hα-helixtrans-59.5-43-173.6-67.2179.5000114.1Y8 L38 L75 N98 H103 V104 I105 A126 V129Y8-L101 HydrophobicContact CD1-CD1 4.43Å; Y8-L101 HydrophobicContact CD1-CD2 4.47Å; Y8-L101 HydrophobicContact CE1-CD1 3.92Å; Y8-L101 HydrophobicContact CE1-CD2 4.07Å; Y8-L101 HydrophobicContact CE1-CG 4.49Å; L38-L101 HydrophobicContact CD1-CD2 3.53Å; L75-L101 HydrophobicContact CD1-CD2 4.15Å; L75-L101 HydrophobicContact CD2-CD2 4.3Å; N98-L101 HydrophobicContact CB-CD1 4.16Å; N98-L101 WeakPolarHBondContact O-CB 3.45Å; N98-L101 PolarHBondContact O-N 2.97Å; N98-L101 VanDerWaalsContact OD1-CD1 3.3Å; N98-L101 WeakPolarHBondContact OD1-CD1 3.36Å; L101-H103 VanDerWaalsContact C-N 3.27Å; L101-H103 PolarHBondContact O-N 2.68Å; L101-V104 PolarHBondContact O-N 2.97Å; L101-I105 HydrophobicContact CB-CD1 4.15Å; L101-I105 VanDerWaalsContact O-CB 3.32Å; L101-I105 WeakPolarHBondContact O-CB 3.36Å; L101-I105 VanDerWaalsContact O-CG1 3.24Å; L101-I105 WeakPolarHBondContact O-CG1 3.4Å; L101-I105 PolarHBondContact O-N 3.07Å; L101-A126 HydrophobicContact CD1-CB 3.66Å; L101-V129 HydrophobicContact CB-CG1 3.88Å
102P94.1Very high91.9Very high52 Ų5249.8 Ų49.834%0.33826%0.257SS..Hα-helixtrans-56.4-43.1179.5-23.432.3000112.3N98 H99 T106 V129N98-P102 WeakPolarHBondContact O-CD 3.5Å; H99-P102 WeakPolarHBondContact O-CD 3.3Å; P102-T106 VanDerWaalsContact O-CB 3.23Å; P102-T106 WeakPolarHBondContact O-CB 3.33Å; P102-T106 PolarHBondContact O-N 2.83Å; P102-T106 PolarHBondContact O-OG1 2.86Å; P102-V129 HydrophobicContact CG-CG1 3.73Å
103H93.9Very high92.4Very high142 Ų14251 Ų5166%0.65727%0.267SS*.Hα-helixtrans-69.2-46.4179.3-177.974.8000112.1H100 L101 T106 S107H100-H103 PolarHBondContact O-N 2.88Å; L101-H103 VanDerWaalsContact C-N 3.27Å; L101-H103 PolarHBondContact O-N 2.68Å; H103-T106 PolarHBondContact O-N 2.98Å; H103-S107 WeakPolarHBondContact O-CB 3.43Å; H103-S107 PolarHBondContact O-N 3.5Å
104V95Very high92.8Very high7 Ų752.2 Ų52.24%0.04227%0.273CS..Hα-helixtrans-61.4-48.8179.7171.50000110.7L38 L75 H100 L101 S107 L108L38-V104 HydrophobicContact CD2-CG1 4.02Å; L75-V104 HydrophobicContact CD2-CB 4.47Å; L75-V104 HydrophobicContact CD2-CG1 4.44Å; L75-V104 HydrophobicContact CD2-CG2 3.85Å; H100-V104 WeakPolarHBondContact O-CG2 3.44Å; H100-V104 PolarHBondContact O-N 3.29Å; H100-V104 VanDerWaalsContact O-N 3.09Å; L101-V104 PolarHBondContact O-N 2.97Å; V104-S107 WeakPolarHBondContact O-CB 3.44Å; V104-S107 PolarHBondContact O-N 3.25Å; V104-L108 HydrophobicContact CG1-CD1 4.11Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.12Å
105I94.4Very high93.2Very high4 Ų454.3 Ų54.32%0.02128%0.282CS..Hα-helixtrans-61.9-48.3178.8-66.2167.6000110.3L101 S107 L108 S109 L114 I117 L133 I135L101-I105 HydrophobicContact CB-CD1 4.15Å; L101-I105 VanDerWaalsContact O-CB 3.32Å; L101-I105 WeakPolarHBondContact O-CB 3.36Å; L101-I105 VanDerWaalsContact O-CG1 3.24Å; L101-I105 WeakPolarHBondContact O-CG1 3.4Å; L101-I105 PolarHBondContact O-N 3.07Å; I105-S107 PolarHBondContact O-N 3.32Å; I105-L108 PolarHBondContact O-N 3.29Å; I105-L108 VanDerWaalsContact O-N 3.13Å; I105-S109 PolarHBondContact O-N 2.73Å; I105-S109 PolarHBondContact O-OG 2.93Å; I105-S109 VanDerWaalsContact O-OG 3.07Å; I105-L114 HydrophobicContact CG2-CD1 3.66Å; I105-I117 HydrophobicContact CD1-CD1 3.65Å; I105-I117 HydrophobicContact CG1-CD1 4.26Å; I105-L133 HydrophobicContact CB-CD1 3.92Å; I105-L133 HydrophobicContact CD1-CD1 3.69Å; I105-L133 HydrophobicContact CG1-CD1 4.42Å; I105-L133 HydrophobicContact CG2-CD1 3.7Å; I105-I135 HydrophobicContact CG2-CD1 3.43Å; I105-I135 VanDerWaalsContact CG2-CD1 3.43Å
106T92.7Very high93.6Very high69 Ų6947.8 Ų47.842%0.42326%0.257SS..Hα-helixtrans-58.8-37.3177.2-59.40000112P102 H103 K110P102-T106 VanDerWaalsContact O-CB 3.23Å; P102-T106 WeakPolarHBondContact O-CB 3.33Å; P102-T106 PolarHBondContact O-N 2.83Å; P102-T106 PolarHBondContact O-OG1 2.86Å; H103-T106 PolarHBondContact O-N 2.98Å; T106-K110 PolarHBondContact O-N 2.88Å
107S94.5Very high94Very high56 Ų5646.5 Ų46.539%0.39225%0.248SC..Hα-helixtrans-65.7-46.7175.8-169.70000111.7H103 V104 I105 S109 K110H103-S107 WeakPolarHBondContact O-CB 3.43Å; H103-S107 PolarHBondContact O-N 3.5Å; V104-S107 WeakPolarHBondContact O-CB 3.44Å; V104-S107 PolarHBondContact O-N 3.25Å; I105-S107 PolarHBondContact O-N 3.32Å; S107-S109 VanDerWaalsContact C-N 3.34Å; S107-S109 PolarHBondContact O-N 2.81Å; S107-K110 WeakPolarHBondContact O-CB 3.46Å; S107-K110 PolarHBondContact O-N 3.18Å
108L94.7Very high94.3Very high22 Ų2246.5 Ų46.512%0.11525%0.248CC..Hα-helixtrans-61.7-41.3176.4-67.8172.4000111.7V6 T36 V104 I105 K110 T111 L112 L114V6-L108 HydrophobicContact CG2-CD1 4.04Å; T36-L108 HydrophobicContact CG2-CD1 4.08Å; T36-L108 HydrophobicContact CG2-CD2 4.32Å; V104-L108 HydrophobicContact CG1-CD1 4.11Å; V104-L108 WeakPolarHBondContact O-CG 3.44Å; V104-L108 PolarHBondContact O-N 3.12Å; I105-L108 PolarHBondContact O-N 3.29Å; I105-L108 VanDerWaalsContact O-N 3.13Å; L108-K110 PolarHBondContact O-N 2.95Å; L108-K110 VanDerWaalsContact O-N 3.09Å; L108-T111 PolarHBondContact O-N 2.99Å; L108-T111 PolarHBondContact O-OG1 3.06Å; L108-L112 HydrophobicContact CD2-CD1 4.19Å; L108-L112 WeakPolarHBondContact O-CB 3.31Å; L108-L112 PolarHBondContact O-N 2.84Å; L108-L114 HydrophobicContact CB-CD1 4.44Å; L108-L114 HydrophobicContact CB-CD2 4.39Å
109S93.3Very high94.6Very high52 Ų5246.1 Ų46.136%0.36425%0.246SC..THydrogen-bonded Turntrans-62.9-14.6178-61.70000114.4I105 S107 T111 L112 L114I105-S109 PolarHBondContact O-N 2.73Å; I105-S109 PolarHBondContact O-OG 2.93Å; I105-S109 VanDerWaalsContact O-OG 3.07Å; S107-S109 VanDerWaalsContact C-N 3.34Å; S107-S109 PolarHBondContact O-N 2.81Å; S109-T111 VanDerWaalsContact C-N 3.33Å; S109-L112 WeakPolarHBondContact CA-O 3.34Å; S109-L114 VanDerWaalsContact OG-CD1 3.31Å; S109-L114 WeakPolarHBondContact OG-CD1 3.33Å
110K94.6Very high94.8Very high153 Ų15340.3 Ų40.367%0.66522%0.219SC*.THydrogen-bonded Turntrans-75.4-23.3173.8-69172.7-178178.80112.9T106 S107 L108T106-K110 PolarHBondContact O-N 2.88Å; S107-K110 WeakPolarHBondContact O-CB 3.46Å; S107-K110 PolarHBondContact O-N 3.18Å; L108-K110 PolarHBondContact O-N 2.95Å; L108-K110 VanDerWaalsContact O-N 3.09Å
111T93.9Very high94.8Very high95 Ų9539.5 Ų39.558%0.58322%0.215SC*.THydrogen-bonded Turntrans-120.7-21.4-17458.80000112.9M1 L108 S109M1-T111 WeakPolarHBondContact CB-O 3.2Å; M1-T111 WeakPolarHBondContact CG-O 3.4Å; L108-T111 PolarHBondContact O-N 2.99Å; L108-T111 PolarHBondContact O-OG1 3.06Å; S109-T111 VanDerWaalsContact C-N 3.33Å
112L94.6Very high94.7Very high26 Ų2640.1 Ų40.114%0.13622%0.218CC..EExtended strand (participates in β ladder)trans-124.4147.4-176-57.2173.9000111K2 L108 S109 L114K2-L112 HydrophobicContact CB-CD2 4.26Å; K2-L112 WeakPolarHBondContact O-CA 3.49Å; L108-L112 HydrophobicContact CD2-CD1 4.19Å; L108-L112 WeakPolarHBondContact O-CB 3.31Å; L108-L112 PolarHBondContact O-N 2.84Å; S109-L112 WeakPolarHBondContact CA-O 3.34Å; L112-L114 HydrophobicContact CB-CD2 4.18Å; L112-L114 PolarHBondContact O-N 3.35Å
113T94.7Very high94.7Very high53 Ų5337.6 Ų37.633%0.32520%0.202SC..EExtended strand (participates in β ladder)trans-87.5103.1166.2-47.80000107.7K2 D3 S4 K115K2-T113 PolarHBondContact O-N 3.45Å; D3-T113 WeakPolarHBondContact CA-O 3.47Å; D3-T113 WeakPolarHBondContact OD1-CB 3.39Å; D3-T113 PolarHBondContact OD1-OG1 3.12Å; S4-T113 PolarHBondContact N-O 3.11Å; T113-K115 HydrophobicContact CG2-CD 4.44Å; T113-K115 PolarHBondContact O-N 3.47Å
114L95.2Very high94.6Very high27 Ų2731.9 Ų31.914%0.14118%0.175CC..EExtended strand (participates in β ladder)trans-75.8117.3179.7-60.2-173.5000110.4S4 V6 I105 L108 S109 L112 I135S4-L114 WeakPolarHBondContact O-CA 3.48Å; V6-L114 HydrophobicContact CG2-CD2 3.88Å; I105-L114 HydrophobicContact CG2-CD1 3.66Å; L108-L114 HydrophobicContact CB-CD1 4.44Å; L108-L114 HydrophobicContact CB-CD2 4.39Å; S109-L114 VanDerWaalsContact OG-CD1 3.31Å; S109-L114 WeakPolarHBondContact OG-CD1 3.33Å; L112-L114 HydrophobicContact CB-CD2 4.18Å; L112-L114 PolarHBondContact O-N 3.35Å; L114-I135 HydrophobicContact CD1-CD1 4.27Å
115K95.5Very high94.5Very high44 Ų4432.7 Ų32.719%0.19118%0.181CC..EExtended strand (participates in β ladder)trans-90.1-37.6179.8-63.5-60.9-170.1161.90113D3 S4 I5 T113 W466D3-K115 HydrophobicContact CB-CG 4.14Å; D3-K115 WeakPolarHBondContact OD1-CE 3.21Å; D3-K115 IonicContact OD1-NZ 3.77Å; D3-K115 WeakPolarHBondContact OD2-CE 3.33Å; D3-K115 IonicContact OD2-NZ 3.98Å; D3-K115 PolarHBondContact OD2-NZ 3.07Å; S4-K115 PolarHBondContact O-N 2.88Å; I5-K115 HydrophobicContact CG1-CB 4.46Å; T113-K115 HydrophobicContact CG2-CD 4.44Å; T113-K115 PolarHBondContact O-N 3.47Å; K115-W466 HydrophobicContact CB-CB 4.3Å; K115-W466 WeakPolarHBondContact CD-O 3.45Å
116A96.2Very high94.4Very high0 Ų032.5 Ų32.50%018%0.18CC..EExtended strand (participates in β ladder)trans-161.8162.2178.800000111.3V6 P136 F138 W466V6-A116 PolarHBondContact N-O 3.2Å; V6-A116 VanDerWaalsContact N-O 3.11Å; A116-P136 CarbonylContact C-O 3.58Å; A116-P136 WeakPolarHBondContact CA-O 3.46Å; A116-P136 HydrophobicContact CB-CB 4.34Å; A116-F138 HydrophobicContact CB-CD2 4.1Å; A116-F138 HydrophobicContact CB-CE2 4.11Å; A116-W466 HydrophobicContact CB-CG 4.18Å
117I96.6Very high94.5Very high4 Ų430.1 Ų30.12%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-116.3128.8165.8-61.7172.3000108.1V6 I105 L119 T130 I135 P136 T137 F138V6-I117 HydrophobicContact CB-CG1 4.14Å; V6-I117 CarbonylContact O-C 3.5Å; V6-I117 WeakPolarHBondContact O-CA 3.25Å; I105-I117 HydrophobicContact CD1-CD1 3.65Å; I105-I117 HydrophobicContact CG1-CD1 4.26Å; I117-L119 HydrophobicContact CG2-CD2 3.59Å; I117-L119 HydrophobicContact CG2-CG 4.24Å; I117-T130 HydrophobicContact CB-CG2 4.29Å; I117-T130 HydrophobicContact CD1-CG2 3.47Å; I117-T130 VanDerWaalsContact CD1-CG2 3.47Å; I117-T130 HydrophobicContact CG1-CG2 4.44Å; I117-T130 HydrophobicContact CG2-CG2 4.19Å; I117-I135 HydrophobicContact CD1-CB 4.27Å; I117-I135 HydrophobicContact CD1-CD1 3.91Å; I117-I135 HydrophobicContact CD1-CG2 3.96Å; I117-I135 HydrophobicContact CG1-CG2 3.82Å; I117-P136 PolarHBondContact N-O 3.45Å; I117-T137 WeakPolarHBondContact O-CA 3.27Å; I117-F138 PolarHBondContact O-N 3.24Å
118V97.7Very high94.3Very high0 Ų035 Ų350%018%0.18CC..EExtended strand (participates in β ladder)trans-107.8113.8173.1-173.90000108.8I5 V6 L7 Y8 L22 F138 I214I5-V118 HydrophobicContact CG2-CG2 4.02Å; V6-V118 PolarHBondContact O-N 3.5Å; L7-V118 CarbonylContact C-O 3.56Å; L7-V118 WeakPolarHBondContact CA-O 3.47Å; L7-V118 HydrophobicContact CD2-CB 3.6Å; L7-V118 HydrophobicContact CD2-CG1 4.45Å; L7-V118 HydrophobicContact CD2-CG2 3.74Å; Y8-V118 PolarHBondContact N-O 3.09Å; L22-V118 HydrophobicContact CD2-CG1 4.15Å; V118-F138 CarbonylContact C-O 3.55Å; V118-F138 WeakPolarHBondContact CA-O 3.14Å; V118-F138 HydrophobicContact CG2-CB 4.41Å; V118-I214 HydrophobicContact CG1-CD1 3.9Å; V118-I214 HydrophobicContact CG2-CD1 4.17Å
119L96.7Very high94.2Very high1 Ų135.1 Ų35.11%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-92.9136.7179.3-56.4-179.9000109.6Y8 I117 A126 K127 T137 F138 F139 Y140Y8-L119 HydrophobicContact CD1-CD2 3.86Å; Y8-L119 HydrophobicContact CG-CD2 4.4Å; I117-L119 HydrophobicContact CG2-CD2 3.59Å; I117-L119 HydrophobicContact CG2-CG 4.24Å; L119-A126 HydrophobicContact CD1-CB 4Å; L119-A126 HydrophobicContact CD2-CB 3.87Å; L119-K127 HydrophobicContact CD1-CB 4.21Å; L119-T137 HydrophobicContact CD1-CG2 3.56Å; L119-T137 HydrophobicContact CG-CG2 3.94Å; L119-F138 PolarHBondContact N-O 3.34Å; L119-F139 HydrophobicContact CB-CD1 3.74Å; L119-F139 HydrophobicContact CB-CE1 3.74Å; L119-F139 HydrophobicContact CD1-CE1 3.82Å; L119-F139 HydrophobicContact CD1-CZ 4.19Å; L119-F139 HydrophobicContact CG-CE1 4.4Å; L119-F139 CarbonylContact O-C 3.58Å; L119-F139 VanDerWaalsContact O-CA 3.3Å; L119-F139 WeakPolarHBondContact O-CA 3.42Å; L119-Y140 PolarHBondContact O-N 2.95Å
120D95.4Very high94.1Very high0 Ų032.7 Ų32.70%017%0.165CC..EExtended strand (participates in β ladder)trans-57141.4155.8-172-75.2000109.1Y8 A10 H15 M19 M122 N123Y8-D120 WeakPolarHBondContact O-CB 3.18Å; Y8-D120 PolarHBondContact O-N 2.93Å; A10-D120 HydrophobicContact CB-CB 4.07Å; H15-D120 IonicContact CE1-OD1 2.8Å; H15-D120 IonicContact CE1-OD2 2.91Å; H15-D120 IonicContact CG-OD2 2.76Å; H15-D120 IonicContact ND1-OD1 3.11Å; H15-D120 IonicContact ND1-OD2 3.85Å; H15-D120 PolarHBondContact ND1-OD2 2.98Å; M19-D120 HydrophobicContact CE-CB 3.93Å; D120-M122 PolarHBondContact O-N 3.5Å; D120-M122 WeakPolarHBondContact OD1-CB 3.4Å; D120-M122 PolarHBondContact OD1-N 3.07Å; D120-N123 WeakPolarHBondContact O-CA 3.34Å; D120-N123 WeakPolarHBondContact O-CB 3.48Å; D120-N123 PolarHBondContact O-N 3.27Å
121F93.7Very high93.9Very high21 Ų2129.3 Ų29.39%0.09215%0.154CC..G310 helixtrans-58.4-24.7-177.179-84.7000113.5N123 Y140 Y141 F151 I203 M207F121-N123 VanDerWaalsContact C-N 3.31Å; F121-Y140 PolarHBondContact N-O 3.32Å; F121-Y141 HydrophobicContact CB-CD2 4.08Å; F121-Y141 AromaticContact CD1-CD2 3.93Å; F121-Y141 HydrophobicContact CD1-CD2 3.93Å; F121-Y141 HydrophobicContact CD1-CE2 4.36Å; F121-Y141 HydrophobicContact CD2-CD2 4.27Å; F121-Y141 HydrophobicContact CD2-CE2 4.21Å; F121-Y141 HydrophobicContact CE1-CD2 4.45Å; F121-Y141 HydrophobicContact CE2-CE2 4.36Å; F121-Y141 AromaticContact CG-CD2 3.82Å; F121-Y141 HydrophobicContact CG-CD2 3.82Å; F121-Y141 HydrophobicContact CG-CE2 4.21Å; F121-F151 HydrophobicContact CD2-CE1 4.1Å; F121-F151 HydrophobicContact CE2-CE1 4.24Å; F121-I203 HydrophobicContact CD2-CG2 3.9Å; F121-M207 HydrophobicContact CB-SD 3.77Å
122M91.7Very high93.8Very high14 Ų1428.6 Ų28.67%0.06916%0.158CC..G310 helixtrans-74.3-21.3174.3-62.2-69.3-78.200112.4A10 H87 L91 D120 F124 I203A10-M122 HydrophobicContact CB-CB 3.8Å; A10-M122 HydrophobicContact CB-CG 4.46Å; H87-M122 HydrophobicContact CB-CE 4.46Å; L91-M122 HydrophobicContact CD1-CE 3.89Å; L91-M122 HydrophobicContact CD2-CB 3.85Å; L91-M122 HydrophobicContact CD2-CE 3.63Å; L91-M122 WeakPolarHBondContact CD2-O 3.36Å; L91-M122 HydrophobicContact CD2-SD 4.05Å; L91-M122 HydrophobicContact CG-CE 3.66Å; D120-M122 PolarHBondContact O-N 3.5Å; D120-M122 WeakPolarHBondContact OD1-CB 3.4Å; D120-M122 PolarHBondContact OD1-N 3.07Å; M122-F124 PolarHBondContact O-N 3.2Å; M122-I203 HydrophobicContact SD-CD1 4.16Å
123N93.4Very high93.6Very high0 Ų030.1 Ų30.10%017%0.166CC..G310 helixtrans-85.825.7175.6-70.3-18.8000112.7Y8 P9 A10 S94 D120 F121 C125 A126Y8-N123 HydrophobicContact CD1-CB 4.19Å; Y8-N123 WeakPolarHBondContact CD2-ND2 3.42Å; Y8-N123 HydrophobicContact CE1-CB 4.32Å; Y8-N123 PolarHBondContact O-ND2 2.84Å; P9-N123 PolarHBondContact O-ND2 3.47Å; A10-N123 PolarHBondContact N-ND2 2.55Å; S94-N123 WeakPolarHBondContact CB-OD1 3.44Å; S94-N123 VanDerWaalsContact OG-CG 3.27Å; S94-N123 PolarHBondContact OG-OD1 2.95Å; D120-N123 WeakPolarHBondContact O-CA 3.34Å; D120-N123 WeakPolarHBondContact O-CB 3.48Å; D120-N123 PolarHBondContact O-N 3.27Å; F121-N123 VanDerWaalsContact C-N 3.31Å; N123-C125 PolarHBondContact O-N 3.38Å; N123-C125 VanDerWaalsContact O-N 3.08Å; N123-A126 VanDerWaalsContact O-CB 3.24Å; N123-A126 WeakPolarHBondContact O-CB 3.38Å; N123-A126 PolarHBondContact O-N 3.01Å
124F93Very high93.3Very high21 Ų2134.7 Ų34.79%0.09219%0.189CC..THydrogen-bonded Turntrans-52.8-33.3-174.179.5-76000115.1L91 M122 A126 K127 F139 L199 D202 I203 C206L91-F124 HydrophobicContact CD2-CD1 4.46Å; L91-F124 HydrophobicContact CD2-CE1 4.32Å; M122-F124 PolarHBondContact O-N 3.2Å; F124-A126 PolarHBondContact O-N 2.84Å; F124-A126 VanDerWaalsContact O-N 3.16Å; F124-K127 VanDerWaalsContact O-CB 3.28Å; F124-K127 WeakPolarHBondContact O-CB 3.47Å; F124-K127 PolarHBondContact O-N 3.41Å; F124-K127 VanDerWaalsContact O-N 3.08Å; F124-F139 HydrophobicContact CB-CE1 4.16Å; F124-F139 HydrophobicContact CB-CZ 4.13Å; F124-L199 HydrophobicContact CZ-CD2 4.39Å; F124-D202 HydrophobicContact CE2-CB 3.77Å; F124-D202 HydrophobicContact CZ-CB 4.13Å; F124-I203 HydrophobicContact CB-CG1 4.12Å; F124-I203 HydrophobicContact CD1-CB 4.46Å; F124-I203 HydrophobicContact CD1-CD1 3.99Å; F124-I203 HydrophobicContact CD1-CG1 3.23Å; F124-I203 HydrophobicContact CD2-CG1 4.22Å; F124-I203 HydrophobicContact CE1-CD1 4.12Å; F124-I203 HydrophobicContact CE1-CG1 3.55Å; F124-I203 HydrophobicContact CE2-CG1 4.48Å; F124-I203 HydrophobicContact CG-CB 4.4Å; F124-I203 HydrophobicContact CG-CG1 3.58Å; F124-I203 HydrophobicContact CZ-CG1 4.17Å; F124-C206 HydrophobicContact CB-CB 4.26Å; F124-C206 HydrophobicContact CD2-CB 4.03Å
125C91.5Very high93.1Very high25 Ų2534.4 Ų34.417%0.16919%0.187CC..THydrogen-bonded Turntrans-59.6-25.3176.4-67.40000112.9R95 N98 N123 K127 Q128R95-C125 HydrophobicContact CB-CB 4.45Å; R95-C125 HydrophobicContact CG-CB 4.35Å; N98-C125 VanDerWaalsContact ND2-C 3.33Å; N98-C125 WeakPolarHBondContact ND2-CB 3.4Å; N123-C125 PolarHBondContact O-N 3.38Å; N123-C125 VanDerWaalsContact O-N 3.08Å; C125-K127 PolarHBondContact O-N 2.9Å; C125-Q128 PolarHBondContact O-N 3.39Å
126A93.6Very high93Very high0 Ų034.3 Ų34.30%019%0.191CC..Hα-helixtrans-67.4-21.717900000112.1Y8 N98 L101 L119 N123 F124 Q128 V129 T130Y8-A126 HydrophobicContact CD1-CB 4.11Å; Y8-A126 HydrophobicContact CE1-CB 4.04Å; N98-A126 PolarHBondContact ND2-N 3.45Å; N98-A126 VanDerWaalsContact ND2-N 3.18Å; L101-A126 HydrophobicContact CD1-CB 3.66Å; L119-A126 HydrophobicContact CD1-CB 4Å; L119-A126 HydrophobicContact CD2-CB 3.87Å; N123-A126 VanDerWaalsContact O-CB 3.24Å; N123-A126 WeakPolarHBondContact O-CB 3.38Å; N123-A126 PolarHBondContact O-N 3.01Å; F124-A126 PolarHBondContact O-N 2.84Å; F124-A126 VanDerWaalsContact O-N 3.16Å; A126-Q128 PolarHBondContact O-N 3.34Å; A126-V129 WeakPolarHBondContact O-CB 3.01Å; A126-V129 PolarHBondContact O-N 3.18Å; A126-T130 PolarHBondContact O-N 2.75Å; A126-T130 VanDerWaalsContact O-N 3.07Å
127K93Very high92.9Very high18 Ų1834.3 Ų34.38%0.07819%0.191CC..Hα-helixtrans-58.4-35.2178.2-170.8-173.1179.7-140.20112.8L119 F124 C125 V129 T130 N131 T137 F139 C206 D209L119-K127 HydrophobicContact CD1-CB 4.21Å; F124-K127 VanDerWaalsContact O-CB 3.28Å; F124-K127 WeakPolarHBondContact O-CB 3.47Å; F124-K127 PolarHBondContact O-N 3.41Å; F124-K127 VanDerWaalsContact O-N 3.08Å; C125-K127 PolarHBondContact O-N 2.9Å; K127-V129 PolarHBondContact O-N 2.94Å; K127-T130 WeakPolarHBondContact CA-OG1 3.45Å; K127-T130 PolarHBondContact O-N 2.88Å; K127-T130 PolarHBondContact O-OG1 3.01Å; K127-T130 VanDerWaalsContact O-OG1 3.08Å; K127-N131 VanDerWaalsContact O-CB 3.3Å; K127-N131 WeakPolarHBondContact O-CB 3.42Å; K127-N131 VanDerWaalsContact O-CG 3.25Å; K127-N131 PolarHBondContact O-N 3.04Å; K127-N131 PolarHBondContact O-OD1 3.43Å; K127-T137 HydrophobicContact CG-CG2 4.2Å; K127-F139 HydrophobicContact CB-CZ 4.34Å; K127-F139 HydrophobicContact CD-CE2 4.21Å; K127-F139 HydrophobicContact CD-CZ 4.34Å; K127-C206 WeakPolarHBondContact CD-SG 3.3Å; K127-D209 WeakPolarHBondContact CE-O 3.38Å; K127-D209 PolarHBondContact NZ-O 3.07Å
128Q91.4Very high92.9Very high158 Ų15834.2 Ų34.274%0.73819%0.19SC*.Hα-helixtrans-60.5-37.9176.5-68178.4-8.900111.6C125 A126 A132C125-Q128 PolarHBondContact O-N 3.39Å; A126-Q128 PolarHBondContact O-N 3.34Å; Q128-A132 PolarHBondContact O-N 3.46Å
129V92Very high92.9Very high26 Ų2634.2 Ų34.216%0.15819%0.19CC..Hα-helixtrans-71.9-45.4177.6-179.80000111N98 L101 P102 A126 K127 N131 A132 L133N98-V129 HydrophobicContact CB-CG2 4.43Å; L101-V129 HydrophobicContact CB-CG1 3.88Å; P102-V129 HydrophobicContact CG-CG1 3.73Å; A126-V129 WeakPolarHBondContact O-CB 3.01Å; A126-V129 PolarHBondContact O-N 3.18Å; K127-V129 PolarHBondContact O-N 2.94Å; V129-N131 PolarHBondContact O-N 3.11Å; V129-A132 PolarHBondContact O-N 3.44Å; V129-L133 HydrophobicContact CG1-CD1 4.25Å; V129-L133 WeakPolarHBondContact O-CG 3.43Å; V129-L133 PolarHBondContact O-N 3.1Å
130T91.4Very high92.9Very high1 Ų134.2 Ų34.21%0.00619%0.19CC..Hα-helixtrans-68.3-35.9-177.660.80000112.3I117 A126 K127 A132 L133 N134 I135 T137I117-T130 HydrophobicContact CB-CG2 4.29Å; I117-T130 HydrophobicContact CD1-CG2 3.47Å; I117-T130 VanDerWaalsContact CD1-CG2 3.47Å; I117-T130 HydrophobicContact CG1-CG2 4.44Å; I117-T130 HydrophobicContact CG2-CG2 4.19Å; A126-T130 PolarHBondContact O-N 2.75Å; A126-T130 VanDerWaalsContact O-N 3.07Å; K127-T130 WeakPolarHBondContact CA-OG1 3.45Å; K127-T130 PolarHBondContact O-N 2.88Å; K127-T130 PolarHBondContact O-OG1 3.01Å; K127-T130 VanDerWaalsContact O-OG1 3.08Å; T130-A132 PolarHBondContact O-N 3.02Å; T130-L133 CarbonylContact O-C 3.6Å; T130-L133 PolarHBondContact O-N 3.32Å; T130-L133 VanDerWaalsContact O-N 3.12Å; T130-N134 PolarHBondContact O-N 3.34Å; T130-I135 PolarHBondContact O-N 3.07Å; T130-T137 WeakPolarHBondContact CB-OG1 3.42Å; T130-T137 WeakPolarHBondContact OG1-CG2 3.37Å; T130-T137 PolarHBondContact OG1-OG1 2.96Å
131N90.3Very high92.9Very high81 Ų8134.6 Ų34.643%0.43319%0.191SC..Hα-helixtrans-59.7-44.3171.8-78.29.6000111.8K127 V129 L133 N134K127-N131 VanDerWaalsContact O-CB 3.3Å; K127-N131 WeakPolarHBondContact O-CB 3.42Å; K127-N131 VanDerWaalsContact O-CG 3.25Å; K127-N131 PolarHBondContact O-N 3.04Å; K127-N131 PolarHBondContact O-OD1 3.43Å; V129-N131 PolarHBondContact O-N 3.11Å; N131-L133 PolarHBondContact O-N 2.88Å; N131-N134 PolarHBondContact O-N 2.94Å
132A91.9Very high92.6Very high80 Ų8034.4 Ų34.466%0.66119%0.192SC*.Hα-helixtrans-63.6-21.417800000113.1Q128 V129 T130Q128-A132 PolarHBondContact O-N 3.46Å; V129-A132 PolarHBondContact O-N 3.44Å; T130-A132 PolarHBondContact O-N 3.02Å
133L89.9Confident92.7Very high59 Ų5934.1 Ų34.131%0.30919%0.192SC..THydrogen-bonded Turntrans-95.90.4177.1-61.7173.9000113.1I105 V129 T130 N131 I135I105-L133 HydrophobicContact CB-CD1 3.92Å; I105-L133 HydrophobicContact CD1-CD1 3.69Å; I105-L133 HydrophobicContact CG1-CD1 4.42Å; I105-L133 HydrophobicContact CG2-CD1 3.7Å; V129-L133 HydrophobicContact CG1-CD1 4.25Å; V129-L133 WeakPolarHBondContact O-CG 3.43Å; V129-L133 PolarHBondContact O-N 3.1Å; T130-L133 CarbonylContact O-C 3.6Å; T130-L133 PolarHBondContact O-N 3.32Å; T130-L133 VanDerWaalsContact O-N 3.12Å; N131-L133 PolarHBondContact O-N 2.88Å; L133-I135 VanDerWaalsContact C-N 3.28Å; L133-I135 HydrophobicContact CB-CD1 3.89Å; L133-I135 HydrophobicContact CB-CG1 3.99Å; L133-I135 HydrophobicContact CD1-CD1 4.38Å; L133-I135 PolarHBondContact O-N 3.48Å
134N90.2Very high92.8Very high149 Ų14934.1 Ų34.180%0.79719%0.192SC*.THydrogen-bonded Turntrans53.441.3-176.2-56.9-57.8000113.4T130 N131T130-N134 PolarHBondContact O-N 3.34Å; N131-N134 PolarHBondContact O-N 2.94Å
135I90Very high93.1Very high21 Ų2133.1 Ų33.111%0.10819%0.187CC..  trans-103.9129.7178.1-56.5173.1000109.3I105 L114 I117 T130 L133 T137I105-I135 HydrophobicContact CG2-CD1 3.43Å; I105-I135 VanDerWaalsContact CG2-CD1 3.43Å; L114-I135 HydrophobicContact CD1-CD1 4.27Å; I117-I135 HydrophobicContact CD1-CB 4.27Å; I117-I135 HydrophobicContact CD1-CD1 3.91Å; I117-I135 HydrophobicContact CD1-CG2 3.96Å; I117-I135 HydrophobicContact CG1-CG2 3.82Å; T130-I135 PolarHBondContact O-N 3.07Å; L133-I135 VanDerWaalsContact C-N 3.28Å; L133-I135 HydrophobicContact CB-CD1 3.89Å; L133-I135 HydrophobicContact CB-CG1 3.99Å; L133-I135 HydrophobicContact CD1-CD1 4.38Å; L133-I135 PolarHBondContact O-N 3.48Å; I135-T137 PolarHBondContact O-N 3.33Å; I135-T137 PolarHBondContact O-OG1 3.33Å
136P93.1Very high93.4Very high41 Ų4132 Ų3227%0.26618%0.18SC..  trans-52125.6173.8-27.835.6000111.5A116 I117 F138A116-P136 CarbonylContact C-O 3.58Å; A116-P136 WeakPolarHBondContact CA-O 3.46Å; A116-P136 HydrophobicContact CB-CB 4.34Å; I117-P136 PolarHBondContact N-O 3.45Å; P136-F138 HydrophobicContact CB-CE2 3.95Å
137T94.2Very high93.6Very high0 Ų032.2 Ų32.20%018%0.181CC..EExtended strand (participates in β ladder)trans-124.2113.8-171-57.60000111.2I117 L119 K127 T130 I135 D211I117-T137 WeakPolarHBondContact O-CA 3.27Å; L119-T137 HydrophobicContact CD1-CG2 3.56Å; L119-T137 HydrophobicContact CG-CG2 3.94Å; K127-T137 HydrophobicContact CG-CG2 4.2Å; T130-T137 WeakPolarHBondContact CB-OG1 3.42Å; T130-T137 WeakPolarHBondContact OG1-CG2 3.37Å; T130-T137 PolarHBondContact OG1-OG1 2.96Å; I135-T137 PolarHBondContact O-N 3.33Å; I135-T137 PolarHBondContact O-OG1 3.33Å; T137-D211 PolarHBondContact N-OD2 3.42Å; T137-D211 PolarHBondContact O-N 2.91Å
138F96.9Very high93.8Very high3 Ų331.3 Ų31.31%0.01318%0.177CC..EExtended strand (participates in β ladder)trans-108.9151.9177.8-62.2-93.8000110.3A116 I117 V118 L119 P136 D211 G212 I214 F245 L462 L465 W466A116-F138 HydrophobicContact CB-CD2 4.1Å; A116-F138 HydrophobicContact CB-CE2 4.11Å; I117-F138 PolarHBondContact O-N 3.24Å; V118-F138 CarbonylContact C-O 3.55Å; V118-F138 WeakPolarHBondContact CA-O 3.14Å; V118-F138 HydrophobicContact CG2-CB 4.41Å; L119-F138 PolarHBondContact N-O 3.34Å; P136-F138 HydrophobicContact CB-CE2 3.95Å; F138-D211 HydrophobicContact CD1-CB 4.46Å; F138-D211 HydrophobicContact CE1-CB 4.08Å; F138-D211 HydrophobicContact CE2-CB 4.41Å; F138-D211 HydrophobicContact CZ-CB 4.05Å; F138-G212 WeakPolarHBondContact CA-O 3.29Å; F138-I214 HydrophobicContact CB-CD1 4.25Å; F138-F245 HydrophobicContact CD1-CE2 4.39Å; F138-F245 HydrophobicContact CE1-CE2 4.13Å; F138-L462 HydrophobicContact CD1-CD1 3.69Å; F138-L462 HydrophobicContact CE1-CD1 3.63Å; F138-L462 HydrophobicContact CG-CD1 4.24Å; F138-L462 HydrophobicContact CZ-CD1 4.14Å; F138-L465 HydrophobicContact CE1-CD1 4.04Å; F138-L465 HydrophobicContact CZ-CB 4.04Å; F138-L465 HydrophobicContact CZ-CD1 4.19Å; F138-W466 AromaticContact CD2-NE1 3.61Å; F138-W466 AromaticContact CE2-CD1 3.51Å; F138-W466 AromaticContact CE2-NE1 3.35Å; F138-W466 AromaticContact CZ-CD1 3.98Å; F138-W466 AromaticContact CZ-NE1 3.88Å
139F97.4Very high94.1Very high0 Ų023.8 Ų23.80%014%0.142CC..EExtended strand (participates in β ladder)trans-98.6140.3167.9-74.9-69.1000110.9L119 F124 K127 M207 G212 V213 I214L119-F139 HydrophobicContact CB-CD1 3.74Å; L119-F139 HydrophobicContact CB-CE1 3.74Å; L119-F139 HydrophobicContact CD1-CE1 3.82Å; L119-F139 HydrophobicContact CD1-CZ 4.19Å; L119-F139 HydrophobicContact CG-CE1 4.4Å; L119-F139 CarbonylContact O-C 3.58Å; L119-F139 VanDerWaalsContact O-CA 3.3Å; L119-F139 WeakPolarHBondContact O-CA 3.42Å; F124-F139 HydrophobicContact CB-CE1 4.16Å; F124-F139 HydrophobicContact CB-CZ 4.13Å; K127-F139 HydrophobicContact CB-CZ 4.34Å; K127-F139 HydrophobicContact CD-CE2 4.21Å; K127-F139 HydrophobicContact CD-CZ 4.34Å; F139-M207 HydrophobicContact CB-CG 4.39Å; F139-M207 HydrophobicContact CB-SD 4.46Å; F139-M207 HydrophobicContact CD2-CB 4.2Å; F139-M207 HydrophobicContact CD2-CG 3.66Å; F139-M207 HydrophobicContact CE2-CG 4.01Å; F139-M207 HydrophobicContact CG-CG 3.93Å; F139-G212 PolarHBondContact N-O 3.31Å; F139-V213 HydrophobicContact CB-CG1 4.45Å; F139-V213 HydrophobicContact CB-CG2 4.43Å; F139-V213 CarbonylContact O-C 3.51Å; F139-V213 WeakPolarHBondContact O-CA 3.3Å; F139-I214 PolarHBondContact O-N 3.29Å
140Y97.4Very high94.3Very high0 Ų022.9 Ų22.90%014%0.136CC..EExtended strand (participates in β ladder)trans-101.4110.8164.2-174.2-139.7000109.2S18 M19 L22 L119 F121 T142 I214 N216S18-Y140 VanDerWaalsContact OG-CE1 3.31Å; S18-Y140 WeakPolarHBondContact OG-CE1 3.36Å; S18-Y140 PolarHBondContact OG-OH 3.48Å; M19-Y140 HydrophobicContact CE-CD1 4.13Å; M19-Y140 HydrophobicContact SD-CD1 3.85Å; L22-Y140 HydrophobicContact CB-CE1 4.16Å; L22-Y140 HydrophobicContact CD2-CD1 3.86Å; L22-Y140 HydrophobicContact CD2-CD2 4Å; L22-Y140 HydrophobicContact CD2-CE1 4.14Å; L22-Y140 HydrophobicContact CD2-CE2 4.29Å; L22-Y140 HydrophobicContact CD2-CG 3.78Å; L119-Y140 PolarHBondContact O-N 2.95Å; F121-Y140 PolarHBondContact N-O 3.32Å; Y140-T142 HydrophobicContact CD1-CG2 3.67Å; Y140-T142 HydrophobicContact CE1-CG2 3.56Å; Y140-T142 HydrophobicContact CG-CG2 4.33Å; Y140-I214 HydrophobicContact CD2-CB 3.93Å; Y140-I214 HydrophobicContact CD2-CG2 3.71Å; Y140-I214 HydrophobicContact CE2-CG2 4.07Å; Y140-N216 HydrophobicContact CE2-CB 4.33Å
141Y95.8Very high94.5Very high8 Ų823.7 Ų23.73%0.03114%0.14CC..EExtended strand (participates in β ladder)trans-96.5107.5179-168.6-106.2000109.1F121 S143 G144 S147 L148 F151 M207 I214 V215F121-Y141 HydrophobicContact CB-CD2 4.08Å; F121-Y141 AromaticContact CD1-CD2 3.93Å; F121-Y141 HydrophobicContact CD1-CD2 3.93Å; F121-Y141 HydrophobicContact CD1-CE2 4.36Å; F121-Y141 HydrophobicContact CD2-CD2 4.27Å; F121-Y141 HydrophobicContact CD2-CE2 4.21Å; F121-Y141 HydrophobicContact CE1-CD2 4.45Å; F121-Y141 HydrophobicContact CE2-CE2 4.36Å; F121-Y141 AromaticContact CG-CD2 3.82Å; F121-Y141 HydrophobicContact CG-CD2 3.82Å; F121-Y141 HydrophobicContact CG-CE2 4.21Å; Y141-S143 PolarHBondContact O-N 3.44Å; Y141-G144 WeakPolarHBondContact CE1-O 3.44Å; Y141-S147 PolarHBondContact OH-OG 3.16Å; Y141-L148 HydrophobicContact CD1-CB 3.82Å; Y141-L148 HydrophobicContact CD1-CD1 4.31Å; Y141-L148 HydrophobicContact CD2-CD1 4.36Å; Y141-L148 HydrophobicContact CE1-CB 3.64Å; Y141-L148 HydrophobicContact CE1-CD1 4.43Å; Y141-L148 HydrophobicContact CG-CD1 4.25Å; Y141-F151 AromaticContact CE2-CD1 3.74Å; Y141-F151 HydrophobicContact CE2-CD1 3.74Å; Y141-F151 HydrophobicContact CE2-CE1 4.21Å; Y141-M207 HydrophobicContact CD2-CE 4.39Å; Y141-M207 HydrophobicContact CD2-SD 4.16Å; Y141-M207 HydrophobicContact CE2-CE 4.41Å; Y141-I214 PolarHBondContact N-O 3.07Å; Y141-V215 HydrophobicContact CD1-CG1 4.49Å
142T87.1Confident94.8Very high17 Ų1719.8 Ų19.810%0.10412%0.119CC..  trans-84.916.2-170.348.30000114.2Y140Y140-T142 HydrophobicContact CD1-CG2 3.67Å; Y140-T142 HydrophobicContact CE1-CG2 3.56Å; Y140-T142 HydrophobicContact CG-CG2 4.33Å
143S93.1Very high94.9Very high9 Ų917.2 Ų17.26%0.0639%0.093CC..SBendtrans-117.2-176.4170.8-59.50000110.8Y141 V215 E387Y141-S143 PolarHBondContact O-N 3.44Å; S143-V215 WeakPolarHBondContact O-CG1 3.31Å; S143-E387 VanDerWaalsContact OG-CD 3.29Å; S143-E387 PolarHBondContact OG-OE1 3.47Å
144G96.4Very high95.2Very high0 Ų014.6 Ų14.60%08%0.08CC..  trans-76.2164.9-179.300000114.5Y141 S146 S147 L148 E222Y141-G144 WeakPolarHBondContact CE1-O 3.44Å; G144-S146 VanDerWaalsContact C-N 3.26Å; G144-S146 PolarHBondContact O-N 2.79Å; G144-S147 WeakPolarHBondContact O-CB 3.42Å; G144-S147 PolarHBondContact O-N 3.08Å; G144-L148 PolarHBondContact O-N 2.92Å; G144-E222 VanDerWaalsContact CA-OE2 3.26Å; G144-E222 WeakPolarHBondContact CA-OE2 3.44Å
145A98.1Very high95.4Very high0 Ų07.6 Ų7.60%04%0.042CC..Hα-helixtrans-63.3-32.5176.400000112.2S147 L148 A149 V215 T217 E222 V225 I226 L229A145-S147 VanDerWaalsContact C-N 3.35Å; A145-L148 PolarHBondContact O-N 2.81Å; A145-A149 WeakPolarHBondContact O-CB 3.47Å; A145-A149 PolarHBondContact O-N 3.18Å; A145-V215 HydrophobicContact CB-CG1 4.38Å; A145-T217 HydrophobicContact CB-CG2 3.74Å; A145-E222 HydrophobicContact CB-CB 4.41Å; A145-E222 PolarHBondContact N-OE1 3.28Å; A145-E222 PolarHBondContact N-OE2 3.26Å; A145-V225 HydrophobicContact CB-CG1 3.88Å; A145-I226 HydrophobicContact CB-CG1 3.86Å; A145-L229 HydrophobicContact CB-CD1 3.98Å
146S98.1Very high95.6Very high1 Ų17.3 Ų7.31%0.0074%0.042CC..Hα-helixtrans-61.5-45.1174.2-540000111.3G144 A149 T150 L177 E222G144-S146 VanDerWaalsContact C-N 3.26Å; G144-S146 PolarHBondContact O-N 2.79Å; S146-A149 PolarHBondContact O-N 3.08Å; S146-T150 WeakPolarHBondContact O-CG2 3.29Å; S146-T150 PolarHBondContact O-N 2.86Å; S146-T150 VanDerWaalsContact O-N 3.08Å; S146-L177 VanDerWaalsContact OG-CD2 3.3Å; S146-L177 WeakPolarHBondContact OG-CD2 3.41Å; S146-E222 WeakPolarHBondContact CB-OE1 3.16Å; S146-E222 PolarHBondContact N-OE1 2.87Å; S146-E222 PolarHBondContact OG-OE1 3.21Å
147S97.4Very high95.6Very high4 Ų46 Ų63%0.0283%0.032CC..Hα-helixtrans-63-44.3175.1-1760000111.2Y141 G144 A145 A149 T150 F151Y141-S147 PolarHBondContact OH-OG 3.16Å; G144-S147 WeakPolarHBondContact O-CB 3.42Å; G144-S147 PolarHBondContact O-N 3.08Å; A145-S147 VanDerWaalsContact C-N 3.35Å; S147-A149 PolarHBondContact O-N 2.99Å; S147-T150 PolarHBondContact O-N 3.34Å; S147-T150 PolarHBondContact O-OG1 3.44Å; S147-F151 VanDerWaalsContact O-CB 3.31Å; S147-F151 WeakPolarHBondContact O-CB 3.17Å; S147-F151 PolarHBondContact O-N 3.3Å
148L97.7Very high95.6Very high0 Ų08.6 Ų8.60%04%0.044CC..Hα-helixtrans-57.5-48.6175.5179.661.6000111.4Y141 G144 A145 T150 F151 L152 M207 V213 V215 L229 V244Y141-L148 HydrophobicContact CD1-CB 3.82Å; Y141-L148 HydrophobicContact CD1-CD1 4.31Å; Y141-L148 HydrophobicContact CD2-CD1 4.36Å; Y141-L148 HydrophobicContact CE1-CB 3.64Å; Y141-L148 HydrophobicContact CE1-CD1 4.43Å; Y141-L148 HydrophobicContact CG-CD1 4.25Å; G144-L148 PolarHBondContact O-N 2.92Å; A145-L148 PolarHBondContact O-N 2.81Å; L148-T150 VanDerWaalsContact C-N 3.34Å; L148-T150 PolarHBondContact O-N 2.88Å; L148-F151 PolarHBondContact O-N 2.9Å; L148-L152 HydrophobicContact CD1-CD1 4.1Å; L148-L152 HydrophobicContact CD1-CD2 4.24Å; L148-L152 HydrophobicContact CD1-CG 3.97Å; L148-L152 HydrophobicContact CG-CD1 3.94Å; L148-L152 HydrophobicContact CG-CG 4.25Å; L148-L152 VanDerWaalsContact O-CG 3.29Å; L148-L152 WeakPolarHBondContact O-CG 3.43Å; L148-L152 PolarHBondContact O-N 2.63Å; L148-M207 HydrophobicContact CD1-CE 3.97Å; L148-M207 HydrophobicContact CD1-SD 4.48Å; L148-V213 HydrophobicContact CD1-CG1 4.24Å; L148-V213 HydrophobicContact CD2-CB 4.36Å; L148-V213 HydrophobicContact CD2-CG1 3.87Å; L148-V215 HydrophobicContact CD2-CG2 3.59Å; L148-L229 HydrophobicContact CD2-CD1 4.45Å; L148-V244 HydrophobicContact CD2-CG1 4.22Å; L148-V244 HydrophobicContact CD2-CG2 4.08Å
149A97.2Very high95.5Very high0 Ų015.1 Ų15.10%08%0.075CC..Hα-helixtrans-59.8-43.2-179.200000112.1A145 S146 S147 F151 Q153 I174 L177 V225 L229 C234A145-A149 WeakPolarHBondContact O-CB 3.47Å; A145-A149 PolarHBondContact O-N 3.18Å; S146-A149 PolarHBondContact O-N 3.08Å; S147-A149 PolarHBondContact O-N 2.99Å; A149-F151 VanDerWaalsContact C-N 3.32Å; A149-F151 PolarHBondContact O-N 3Å; A149-Q153 PolarHBondContact O-N 3.27Å; A149-I174 HydrophobicContact CB-CG2 4.23Å; A149-L177 HydrophobicContact CB-CD1 4.33Å; A149-V225 HydrophobicContact CB-CG2 3.61Å; A149-L229 HydrophobicContact CB-CD1 4.41Å; A149-L229 HydrophobicContact CB-CD2 4.05Å; A149-L229 HydrophobicContact CB-CG 4.3Å; A149-C234 HydrophobicContact CB-CB 4.45Å
150T96.8Very high95.3Very high6 Ų620.3 Ų20.34%0.03711%0.106CC..Hα-helixtrans-66.6-34.5173.763.50000112.6S146 S147 L148 Q153 I174 L177 I180 L185 L390S146-T150 WeakPolarHBondContact O-CG2 3.29Å; S146-T150 PolarHBondContact O-N 2.86Å; S146-T150 VanDerWaalsContact O-N 3.08Å; S147-T150 PolarHBondContact O-N 3.34Å; S147-T150 PolarHBondContact O-OG1 3.44Å; L148-T150 VanDerWaalsContact C-N 3.34Å; L148-T150 PolarHBondContact O-N 2.88Å; T150-Q153 WeakPolarHBondContact O-CB 3.48Å; T150-Q153 PolarHBondContact O-N 3.2Å; T150-I174 HydrophobicContact CG2-CD1 3.84Å; T150-L177 HydrophobicContact CG2-CD1 3.98Å; T150-I180 HydrophobicContact CG2-CG1 4.41Å; T150-L185 HydrophobicContact CG2-CD2 4.32Å; T150-L390 HydrophobicContact CG2-CD1 4.18Å; T150-L390 HydrophobicContact CG2-CD2 3.99Å; T150-L390 WeakPolarHBondContact OG1-CD2 3.44Å
151F96.3Very high95.1Very high18 Ų1821.8 Ų21.88%0.07912%0.116CC..Hα-helixtrans-71-38-178.8-169.7-161.1000111.6F121 Y141 S147 L148 A149 Q153 L154 F200 I203 A204 M207F121-F151 HydrophobicContact CD2-CE1 4.1Å; F121-F151 HydrophobicContact CE2-CE1 4.24Å; Y141-F151 AromaticContact CE2-CD1 3.74Å; Y141-F151 HydrophobicContact CE2-CD1 3.74Å; Y141-F151 HydrophobicContact CE2-CE1 4.21Å; S147-F151 VanDerWaalsContact O-CB 3.31Å; S147-F151 WeakPolarHBondContact O-CB 3.17Å; S147-F151 PolarHBondContact O-N 3.3Å; L148-F151 PolarHBondContact O-N 2.9Å; A149-F151 VanDerWaalsContact C-N 3.32Å; A149-F151 PolarHBondContact O-N 3Å; F151-Q153 PolarHBondContact O-N 2.8Å; F151-L154 HydrophobicContact CD2-CB 4.48Å; F151-L154 HydrophobicContact CD2-CD2 4.3Å; F151-L154 HydrophobicContact CE2-CD2 4.01Å; F151-L154 VanDerWaalsContact O-CB 3.23Å; F151-L154 WeakPolarHBondContact O-CB 3.17Å; F151-L154 PolarHBondContact O-N 3.02Å; F151-F200 HydrophobicContact CE2-CB 3.96Å; F151-F200 AromaticContact CE2-CD1 3.66Å; F151-F200 HydrophobicContact CE2-CD1 3.66Å; F151-F200 HydrophobicContact CE2-CG 4.27Å; F151-F200 WeakPolarHBondContact CE2-O 3.2Å; F151-F200 HydrophobicContact CZ-CB 4.31Å; F151-F200 AromaticContact CZ-CD1 3.63Å; F151-F200 HydrophobicContact CZ-CD1 3.63Å; F151-F200 HydrophobicContact CZ-CE1 4.39Å; F151-F200 HydrophobicContact CZ-CG 4.32Å; F151-F200 WeakPolarHBondContact CZ-O 3.35Å; F151-I203 HydrophobicContact CE1-CB 4.45Å; F151-I203 HydrophobicContact CE1-CG2 3.58Å; F151-I203 HydrophobicContact CZ-CB 3.88Å; F151-I203 HydrophobicContact CZ-CG2 3.51Å; F151-A204 HydrophobicContact CD2-CB 3.91Å; F151-A204 HydrophobicContact CE2-CB 3.76Å; F151-A204 HydrophobicContact CG-CB 4.48Å; F151-A204 HydrophobicContact CZ-CB 4.24Å; F151-A204 WeakPolarHBondContact O-CB 3.46Å; F151-M207 HydrophobicContact CD1-CE 3.39Å; F151-M207 HydrophobicContact CE1-CE 3.44Å; F151-M207 VanDerWaalsContact CE1-CE 3.44Å; F151-M207 HydrophobicContact CG-CE 4.36Å; F151-M207 HydrophobicContact CZ-CE 4.44Å
152L95.7Very high95Very high0 Ų027.4 Ų27.40%015%0.151CC..Hα-helixtrans-65.7-19.1174.8-64.3173.6000113L148 L154 P155 R208 L229 L235 P242L148-L152 HydrophobicContact CD1-CD1 4.1Å; L148-L152 HydrophobicContact CD1-CD2 4.24Å; L148-L152 HydrophobicContact CD1-CG 3.97Å; L148-L152 HydrophobicContact CG-CD1 3.94Å; L148-L152 HydrophobicContact CG-CG 4.25Å; L148-L152 VanDerWaalsContact O-CG 3.29Å; L148-L152 WeakPolarHBondContact O-CG 3.43Å; L148-L152 PolarHBondContact O-N 2.63Å; L152-L154 VanDerWaalsContact C-N 3.28Å; L152-L154 PolarHBondContact O-N 3.34Å; L152-P155 WeakPolarHBondContact O-CD 3.31Å; L152-R208 HydrophobicContact CD2-CG 3.63Å; L152-L229 HydrophobicContact CD1-CD2 4.03Å; L152-L235 HydrophobicContact CB-CD2 4.22Å; L152-L235 WeakPolarHBondContact O-CD2 3.16Å; L152-P242 HydrophobicContact CD1-CG 4.1Å; L152-P242 HydrophobicContact CD2-CG 4.35Å
153Q94.8Very high95.4Very high25 Ų2532.7 Ų32.712%0.11717%0.173CC..THydrogen-bonded Turntrans-73.5-15.9171.6-74.7-66-5200113.5A149 T150 F151 V156 I157 L172 I174 C234A149-Q153 PolarHBondContact O-N 3.27Å; T150-Q153 WeakPolarHBondContact O-CB 3.48Å; T150-Q153 PolarHBondContact O-N 3.2Å; F151-Q153 PolarHBondContact O-N 2.8Å; Q153-V156 WeakPolarHBondContact O-CA 3.22Å; Q153-V156 WeakPolarHBondContact O-CB 3.49Å; Q153-V156 PolarHBondContact O-N 2.82Å; Q153-I157 HydrophobicContact CB-CD1 4.27Å; Q153-I157 WeakPolarHBondContact O-CG1 3.5Å; Q153-I157 PolarHBondContact O-N 3.29Å; Q153-L172 HydrophobicContact CB-CD2 4.48Å; Q153-I174 HydrophobicContact CG-CD1 3.62Å; Q153-I174 HydrophobicContact CG-CG1 4.11Å; Q153-C234 PolarHBondContact NE2-O 2.94Å
154L94.9Very high95.5Very high5 Ų533 Ų333%0.02618%0.175CC..Hα-helixtrans-58.7-42.6-172.8-175.661.9000113.6F151 L152 V156 I157 H158 I165 V189 Y197 F200 H201 A204F151-L154 HydrophobicContact CD2-CB 4.48Å; F151-L154 HydrophobicContact CD2-CD2 4.3Å; F151-L154 HydrophobicContact CE2-CD2 4.01Å; F151-L154 VanDerWaalsContact O-CB 3.23Å; F151-L154 WeakPolarHBondContact O-CB 3.17Å; F151-L154 PolarHBondContact O-N 3.02Å; L152-L154 VanDerWaalsContact C-N 3.28Å; L152-L154 PolarHBondContact O-N 3.34Å; L154-V156 PolarHBondContact O-N 3.07Å; L154-I157 PolarHBondContact O-N 3.26Å; L154-H158 WeakPolarHBondContact O-CB 3.47Å; L154-H158 PolarHBondContact O-N 3.37Å; L154-I165 HydrophobicContact CD1-CD1 4.2Å; L154-V189 HydrophobicContact CD1-CB 4.14Å; L154-V189 HydrophobicContact CD1-CG1 4.32Å; L154-V189 HydrophobicContact CD2-CB 4.42Å; L154-V189 HydrophobicContact CD2-CG1 3.72Å; L154-Y197 HydrophobicContact CD1-CE2 3.72Å; L154-F200 HydrophobicContact CD2-CB 3.94Å; L154-H201 HydrophobicContact CD2-CB 4.25Å; L154-H201 HydrophobicContact CG-CB 4.5Å; L154-A204 HydrophobicContact CB-CB 4.29Å
155P94.4Very high95.5Very high1 Ų133.1 Ų33.11%0.00618%0.175CC..Hα-helixtrans-62.6-38.7172.5-23.936.6000113.1L152 I157 H158 E159 A204 T205L152-P155 WeakPolarHBondContact O-CD 3.31Å; P155-I157 PolarHBondContact O-N 2.98Å; P155-H158 WeakPolarHBondContact O-CA 3.26Å; P155-H158 VanDerWaalsContact O-CB 3.32Å; P155-H158 WeakPolarHBondContact O-CB 3.48Å; P155-H158 PolarHBondContact O-N 3.01Å; P155-H158 VanDerWaalsContact O-N 3.12Å; P155-E159 WeakPolarHBondContact O-CG 3.24Å; P155-E159 PolarHBondContact O-N 2.83Å; P155-A204 HydrophobicContact CG-CB 4.03Å; P155-T205 WeakPolarHBondContact CG-OG1 3.34Å
156V94.4Very high95.3Very high16 Ų1637.4 Ų37.410%0.09719%0.194CC..Hα-helixtrans-61.4-47.3176.6-174.90000110.7Q153 L154 H158 E159 T160 L235 P236 M239Q153-V156 WeakPolarHBondContact O-CA 3.22Å; Q153-V156 WeakPolarHBondContact O-CB 3.49Å; Q153-V156 PolarHBondContact O-N 2.82Å; L154-V156 PolarHBondContact O-N 3.07Å; V156-H158 VanDerWaalsContact C-N 3.26Å; V156-H158 PolarHBondContact O-N 2.61Å; V156-E159 PolarHBondContact O-N 2.85Å; V156-T160 HydrophobicContact CG1-CG2 4.34Å; V156-T160 WeakPolarHBondContact O-CB 3.4Å; V156-T160 VanDerWaalsContact O-CG2 3.24Å; V156-T160 WeakPolarHBondContact O-CG2 3.47Å; V156-T160 PolarHBondContact O-N 3Å; V156-T160 PolarHBondContact O-OG1 2.95Å; V156-L235 HydrophobicContact CG2-CD2 4.04Å; V156-P236 HydrophobicContact CG1-CG 3.73Å; V156-P236 HydrophobicContact CG2-CG 4Å; V156-M239 HydrophobicContact CG2-CE 3.64Å; V156-M239 HydrophobicContact CG2-SD 3.69Å
157I94Very high95.1Very high13 Ų1341.9 Ų41.97%0.06722%0.218CC..Hα-helixtrans-61.3-42175.7-62165.8000109.4Q153 L154 P155 E159 T160 T161 I165 L172 L182Q153-I157 HydrophobicContact CB-CD1 4.27Å; Q153-I157 WeakPolarHBondContact O-CG1 3.5Å; Q153-I157 PolarHBondContact O-N 3.29Å; L154-I157 PolarHBondContact O-N 3.26Å; P155-I157 PolarHBondContact O-N 2.98Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 3.42Å; I157-T160 WeakPolarHBondContact CA-OG1 3.47Å; I157-T160 PolarHBondContact O-N 2.84Å; I157-T160 PolarHBondContact O-OG1 3.22Å; I157-T161 HydrophobicContact CG2-CG2 4.2Å; I157-T161 VanDerWaalsContact O-CG2 3.26Å; I157-T161 WeakPolarHBondContact O-CG2 3.39Å; I157-T161 PolarHBondContact O-N 3.25Å; I157-I165 HydrophobicContact CD1-CD1 4.38Å; I157-I165 HydrophobicContact CG2-CD1 4.32Å; I157-I165 HydrophobicContact CG2-CG1 4.2Å; I157-L172 HydrophobicContact CD1-CD1 4.13Å; I157-L172 HydrophobicContact CD1-CD2 3.78Å; I157-L172 HydrophobicContact CD1-CG 4.45Å; I157-L172 HydrophobicContact CG1-CD2 4.2Å; I157-L182 HydrophobicContact CD1-CD2 4.29Å
158H94.3Very high94.7Very high54 Ų5443.1 Ų43.125%0.2522%0.224CC..Hα-helixtrans-59.7-42.3179.6-168.282.4000112.8L154 P155 V156 R192 Y197 H201L154-H158 WeakPolarHBondContact O-CB 3.47Å; L154-H158 PolarHBondContact O-N 3.37Å; P155-H158 WeakPolarHBondContact O-CA 3.26Å; P155-H158 VanDerWaalsContact O-CB 3.32Å; P155-H158 WeakPolarHBondContact O-CB 3.48Å; P155-H158 PolarHBondContact O-N 3.01Å; P155-H158 VanDerWaalsContact O-N 3.12Å; V156-H158 VanDerWaalsContact C-N 3.26Å; V156-H158 PolarHBondContact O-N 2.61Å; H158-R192 PolarHBondContact CD2-NH2 2.74Å; H158-R192 VanDerWaalsContact CD2-NH2 3.32Å; H158-R192 PolarHBondContact CE1-NE 3.04Å; H158-R192 PolarHBondContact CE1-NH2 3.44Å; H158-R192 VanDerWaalsContact ND1-CZ 3.26Å; H158-R192 PolarHBondContact ND1-NH1 2.76Å; H158-R192 PolarHBondContact ND1-NH2 3.21Å; H158-R192 PolarHBondContact NE2-NH2 2.9Å; H158-R192 PolarHBondContact O-NH1 2.84Å; H158-R192 PolarHBondContact O-NH2 2.81Å; H158-Y197 AromaticContact CE1-CE1 3.77Å; H158-Y197 AromaticContact ND1-CE1 3.27Å; H158-Y197 VanDerWaalsContact ND1-CE1 3.27Å; H158-Y197 WeakPolarHBondContact ND1-CE1 3.46Å; H158-Y197 AromaticContact ND1-CZ 3.55Å; H158-Y197 PolarHBondContact ND1-OH 3.2Å; H158-H201 AromaticContact CD2-NE2 3.76Å; H158-H201 AromaticContact CG-CD2 3.62Å; H158-H201 AromaticContact CG-NE2 3.68Å; H158-H201 AromaticContact ND1-CD2 3.99Å
159E93.8Very high94.3Very high140 Ų14050.7 Ų50.765%0.65426%0.264SS*.Hα-helixtrans-75.7-32.7-178.4-70.8168.3-17200112.7P155 V156 I157P155-E159 WeakPolarHBondContact O-CG 3.24Å; P155-E159 PolarHBondContact O-N 2.83Å; V156-E159 PolarHBondContact O-N 2.85Å; I157-E159 VanDerWaalsContact C-N 3.32Å; I157-E159 PolarHBondContact O-N 3.42Å
160T93.2Very high94.1Very high109 Ų10954.1 Ų54.167%0.66929%0.286SS*.Hα-helixtrans-86.9-15.3-172.652.40000114.8V156 I157V156-T160 HydrophobicContact CG1-CG2 4.34Å; V156-T160 WeakPolarHBondContact O-CB 3.4Å; V156-T160 VanDerWaalsContact O-CG2 3.24Å; V156-T160 WeakPolarHBondContact O-CG2 3.47Å; V156-T160 PolarHBondContact O-N 3Å; V156-T160 PolarHBondContact O-OG1 2.95Å; I157-T160 WeakPolarHBondContact CA-OG1 3.47Å; I157-T160 PolarHBondContact O-N 2.84Å; I157-T160 PolarHBondContact O-OG1 3.22Å
161T93.5Very high94Very high32 Ų3258.4 Ų58.420%0.19631%0.305CS..  trans-144.1154.8179-171.40000111.4I157 K163 L168 R192I157-T161 HydrophobicContact CG2-CG2 4.2Å; I157-T161 VanDerWaalsContact O-CG2 3.26Å; I157-T161 WeakPolarHBondContact O-CG2 3.39Å; I157-T161 PolarHBondContact O-N 3.25Å; T161-K163 PolarHBondContact OG1-N 2.9Å; T161-L168 HydrophobicContact CG2-CD1 3.79Å; T161-R192 PolarHBondContact O-NH1 2.68Å
162T94.1Very high93.9Very high126 Ų12658.4 Ų58.477%0.77331%0.306SS*.SBendtrans-98.2-7.6170.655.50000112.8R192T162-R192 WeakPolarHBondContact O-CD 3.35Å
163K95.5Very high93.9Very high128 Ų12862.7 Ų62.756%0.55734%0.336SS*.SBendtrans-79.2158.5-178-62.2-176.6179.3-178.50111.9T161 L168T161-K163 PolarHBondContact OG1-N 2.9Å; K163-L168 HydrophobicContact CB-CD2 3.9Å; K163-L168 HydrophobicContact CB-CG 4.24Å; K163-L168 HydrophobicContact CD-CD2 3.98Å
164S96Very high94Very high16 Ų1662 Ų6211%0.11233%0.332CS..  trans-76.5148.9169.5-63.60000110.6K166 D167 L168 H190 R192S164-K166 VanDerWaalsContact C-N 3.26Å; S164-K166 PolarHBondContact O-N 3.48Å; S164-D167 WeakPolarHBondContact CB-OD2 3.4Å; S164-D167 WeakPolarHBondContact O-CB 3.07Å; S164-D167 PolarHBondContact O-N 3.41Å; S164-L168 WeakPolarHBondContact O-CG 3.45Å; S164-L168 PolarHBondContact O-N 3.23Å; S164-H190 WeakPolarHBondContact CB-O 3.48Å; S164-R192 PolarHBondContact OG-N 3.26Å; S164-R192 VanDerWaalsContact OG-N 3.13Å
165I95Very high94Very high1 Ų164.7 Ų64.71%0.00535%0.351CS..G310 helixtrans-56.3-40.1179.2-80.7-178.3000111.8L154 I157 D167 L168 L182 L185 V189 H190L154-I165 HydrophobicContact CD1-CD1 4.2Å; I157-I165 HydrophobicContact CD1-CD1 4.38Å; I157-I165 HydrophobicContact CG2-CD1 4.32Å; I157-I165 HydrophobicContact CG2-CG1 4.2Å; I165-D167 PolarHBondContact O-N 3.08Å; I165-D167 VanDerWaalsContact O-N 3.11Å; I165-L168 WeakPolarHBondContact O-CB 3.41Å; I165-L168 PolarHBondContact O-N 2.93Å; I165-L182 HydrophobicContact CG2-CB 3.94Å; I165-L185 HydrophobicContact CD1-CD1 4.01Å; I165-V189 HydrophobicContact CD1-CB 4.41Å; I165-V189 HydrophobicContact CD1-CG2 4.13Å; I165-V189 WeakPolarHBondContact CD1-O 3.26Å; I165-H190 PolarHBondContact N-O 2.93Å
166K93.8Very high94.1Very high91 Ų9165.7 Ų65.740%0.39636%0.361SS..G310 helixtrans-60.2-20.3176.166.1-172.1-176.1-175.70114.8S164 H190 D191S164-K166 VanDerWaalsContact C-N 3.26Å; S164-K166 PolarHBondContact O-N 3.48Å; K166-H190 HydrophobicContact CB-CB 4.2Å; K166-H190 PolarHBondContact N-O 2.95Å; K166-D191 HydrophobicContact CD-CB 4.5Å; K166-D191 IonicContact NZ-OD2 3.77Å; K166-D191 PolarHBondContact NZ-OD2 2.94Å
167D95.1Very high94.3Very high94 Ų9465.8 Ų65.850%0.50336%0.361SS..G310 helixtrans-98.7-4.3179.4-50.7-43.2000111.8S164 I165S164-D167 WeakPolarHBondContact CB-OD2 3.4Å; S164-D167 WeakPolarHBondContact O-CB 3.07Å; S164-D167 PolarHBondContact O-N 3.41Å; I165-D167 PolarHBondContact O-N 3.08Å; I165-D167 VanDerWaalsContact O-N 3.11Å
168L89.1Confident94.4Very high30 Ų3066.1 Ų66.116%0.15736%0.364CS..  trans-96.198.7178.5-65.9175.6000109T161 K163 S164 I165 T170 L182T161-L168 HydrophobicContact CG2-CD1 3.79Å; K163-L168 HydrophobicContact CB-CD2 3.9Å; K163-L168 HydrophobicContact CB-CG 4.24Å; K163-L168 HydrophobicContact CD-CD2 3.98Å; S164-L168 WeakPolarHBondContact O-CG 3.45Å; S164-L168 PolarHBondContact O-N 3.23Å; I165-L168 WeakPolarHBondContact O-CB 3.41Å; I165-L168 PolarHBondContact O-N 2.93Å; L168-T170 HydrophobicContact CB-CG2 4.24Å; L168-T170 PolarHBondContact O-N 2.74Å; L168-L182 HydrophobicContact CB-CD1 3.58Å; L168-L182 HydrophobicContact CD1-CD1 4.05Å; L168-L182 HydrophobicContact CG-CD1 4.48Å
169N88.6Confident94.5Very high159 Ų15970.8 Ų70.885%0.8538%0.383SS*.  trans-77.361.1173.1-65.8-29.8000111
170T93.4Very high94.7Very high73 Ų7364.1 Ų64.145%0.44835%0.352SS..  trans-140.1177.3-178.9-165.30000111.7L168 L182L168-T170 HydrophobicContact CB-CG2 4.24Å; L168-T170 PolarHBondContact O-N 2.74Å; T170-L182 HydrophobicContact CG2-CD1 3.41Å; T170-L182 VanDerWaalsContact CG2-CD1 3.41Å; T170-L182 HydrophobicContact CG2-CG 4.24Å; T170-L182 WeakPolarHBondContact O-CG 3.41Å; T170-L182 PolarHBondContact O-N 2.98Å
171H95.1Very high94.8Very high95 Ų9561.5 Ų61.544%0.4433%0.334SS..EExtended strand (participates in β ladder)trans-121.2150.5-177.1-54.773.7000110.5K179 I180H171-K179 HydrophobicContact CB-CB 4.43Å; H171-I180 CarbonylContact C-O 3.58Å; H171-I180 WeakPolarHBondContact CA-O 3.24Å; H171-I180 WeakPolarHBondContact CB-O 3.32Å
172L94.3Very high94.9Very high18 Ų1860.2 Ų60.29%0.09433%0.326CS..EExtended strand (participates in β ladder)trans-82.4135.1162.9-69.6167.2000110.1Q153 I157 I174 I180 L182 L185Q153-L172 HydrophobicContact CB-CD2 4.48Å; I157-L172 HydrophobicContact CD1-CD1 4.13Å; I157-L172 HydrophobicContact CD1-CD2 3.78Å; I157-L172 HydrophobicContact CD1-CG 4.45Å; I157-L172 HydrophobicContact CG1-CD2 4.2Å; L172-I174 HydrophobicContact CB-CG1 4.44Å; L172-I180 HydrophobicContact CB-CB 4.33Å; L172-I180 PolarHBondContact N-O 2.84Å; L172-I180 PolarHBondContact O-N 3.05Å; L172-L182 HydrophobicContact CD1-CD2 3.77Å; L172-L182 HydrophobicContact CD2-CD2 4.17Å; L172-L182 HydrophobicContact CG-CD2 3.58Å; L172-L185 HydrophobicContact CD1-CD1 3.92Å; L172-L185 HydrophobicContact CD1-CD2 4.15Å; L172-L185 HydrophobicContact CD1-CG 4.49Å
173S94.9Very high94.9Very high91 Ų9157.8 Ų57.864%0.63631%0.308SS*.  trans-118.3101.3171.3-62.70000107.7
174I95.9Very high94.9Very high9 Ų953 Ų535%0.04629%0.289CS..  trans-113.9130.4179.5-56.7177.8000107.5A149 T150 Q153 L172 G176 L177 C234A149-I174 HydrophobicContact CB-CG2 4.23Å; T150-I174 HydrophobicContact CG2-CD1 3.84Å; Q153-I174 HydrophobicContact CG-CD1 3.62Å; Q153-I174 HydrophobicContact CG-CG1 4.11Å; L172-I174 HydrophobicContact CB-CG1 4.44Å; I174-G176 PolarHBondContact O-N 3.13Å; I174-L177 HydrophobicContact CB-CB 4.4Å; I174-L177 HydrophobicContact CB-CD1 4.11Å; I174-L177 HydrophobicContact CB-CG 4.38Å; I174-L177 HydrophobicContact CD1-CD1 4.19Å; I174-L177 HydrophobicContact CG2-CD1 4.35Å; I174-L177 PolarHBondContact O-N 2.87Å; I174-C234 HydrophobicContact CG2-CB 4Å
175P96.3Very high94.9Very high63 Ų6352.7 Ų52.741%0.40929%0.286SS..THydrogen-bonded Turntrans-51.4133.8175.2-29.438.1000112L177 A228 L233P175-L177 VanDerWaalsContact C-N 3.32Å; P175-L177 PolarHBondContact O-N 3.46Å; P175-A228 HydrophobicContact CB-CB 4.02Å; P175-A228 WeakPolarHBondContact O-CB 3.36Å; P175-L233 HydrophobicContact CB-CB 4.2Å; P175-L233 WeakPolarHBondContact CD-O 3.3Å; P175-L233 HydrophobicContact CG-CB 4.2Å; P175-L233 WeakPolarHBondContact CG-O 3.48Å
176G96Very high94.8Very high21 Ų2153.7 Ų53.722%0.21629%0.292CS..THydrogen-bonded Turntrans87.1-11.9-177.100000115.4I174 R224I174-G176 PolarHBondContact O-N 3.13Å; G176-R224 WeakPolarHBondContact O-CB 3.4Å
177L97.7Very high94.8Very high18 Ų1855.3 Ų55.39%0.09430%0.299CS..SBendtrans-108.6155.6177.9-62.3-172.5000112.9S146 A149 T150 I174 P175 V225 I394S146-L177 VanDerWaalsContact OG-CD2 3.3Å; S146-L177 WeakPolarHBondContact OG-CD2 3.41Å; A149-L177 HydrophobicContact CB-CD1 4.33Å; T150-L177 HydrophobicContact CG2-CD1 3.98Å; I174-L177 HydrophobicContact CB-CB 4.4Å; I174-L177 HydrophobicContact CB-CD1 4.11Å; I174-L177 HydrophobicContact CB-CG 4.38Å; I174-L177 HydrophobicContact CD1-CD1 4.19Å; I174-L177 HydrophobicContact CG2-CD1 4.35Å; I174-L177 PolarHBondContact O-N 2.87Å; P175-L177 VanDerWaalsContact C-N 3.32Å; P175-L177 PolarHBondContact O-N 3.46Å; L177-V225 HydrophobicContact CD1-CG2 4.34Å; L177-V225 HydrophobicContact CD2-CB 3.62Å; L177-V225 HydrophobicContact CD2-CG1 4.01Å; L177-V225 HydrophobicContact CD2-CG2 3.8Å; L177-V225 HydrophobicContact CG-CB 4.18Å; L177-V225 HydrophobicContact CG-CG2 3.95Å; L177-I394 HydrophobicContact CD2-CD1 4.01Å
178P97.1Very high94.6Very high21 Ų2153 Ų5314%0.13629%0.285CS..PPolyproline II helixtrans-63.4167.9161.628.7-32.8000110.7I180 V393 I394 Q397P178-I180 HydrophobicContact CG-CD1 3.95Å; P178-I180 WeakPolarHBondContact O-CG1 3.23Å; P178-I180 PolarHBondContact O-N 3.27Å; P178-V393 HydrophobicContact CG-CG1 4.13Å; P178-I394 HydrophobicContact CG-CD1 4.11Å; P178-Q397 HydrophobicContact CB-CB 4.16Å; P178-Q397 HydrophobicContact CG-CB 4.15Å
179K96.5Very high94.8Very high151 Ų15151.9 Ų51.966%0.65728%0.279SS*.PPolyproline II helixtrans-62.9123.5170.2-71.6-175178.3-178.40108.7H171H171-K179 HydrophobicContact CB-CB 4.43Å
180I97.4Very high95.1Very high1 Ų145.7 Ų45.71%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-102.6119.7-178.9-56.4-54000108.2T150 H171 L172 P178 L182 D184 L185 L390 V393 I394T150-I180 HydrophobicContact CG2-CG1 4.41Å; H171-I180 CarbonylContact C-O 3.58Å; H171-I180 WeakPolarHBondContact CA-O 3.24Å; H171-I180 WeakPolarHBondContact CB-O 3.32Å; L172-I180 HydrophobicContact CB-CB 4.33Å; L172-I180 PolarHBondContact N-O 2.84Å; L172-I180 PolarHBondContact O-N 3.05Å; P178-I180 HydrophobicContact CG-CD1 3.95Å; P178-I180 WeakPolarHBondContact O-CG1 3.23Å; P178-I180 PolarHBondContact O-N 3.27Å; I180-L182 PolarHBondContact O-N 3.04Å; I180-D184 HydrophobicContact CG2-CB 4.49Å; I180-L185 HydrophobicContact CG2-CD2 4.26Å; I180-L390 HydrophobicContact CD1-CD1 3.83Å; I180-L390 HydrophobicContact CG1-CD1 4.11Å; I180-L390 HydrophobicContact CG2-CD1 3.69Å; I180-V393 HydrophobicContact CD1-CB 4.44Å; I180-V393 HydrophobicContact CD1-CG1 3.64Å; I180-I394 HydrophobicContact CD1-CD1 4.02Å
181D96Very high95.2Very high54 Ų5444.6 Ų44.629%0.28924%0.237SC..EExtended strand (participates in β ladder)trans-62.8133.5168.6-167.8-51.2000108.5L183 D184D181-L183 PolarHBondContact O-N 3.3Å; D181-L183 VanDerWaalsContact O-N 3.13Å; D181-L183 WeakPolarHBondContact OD1-CB 3.4Å; D181-L183 PolarHBondContact OD1-N 3.11Å; D181-D184 WeakPolarHBondContact O-CB 3.26Å; D181-D184 PolarHBondContact O-N 3.49Å
182L95.2Very high95.2Very high4 Ų442.5 Ų42.52%0.02123%0.225CC..G310 helixtrans-59.3-24.3178.9-78.9-177.3000113.1I157 I165 L168 T170 L172 I180 D184 L185I157-L182 HydrophobicContact CD1-CD2 4.29Å; I165-L182 HydrophobicContact CG2-CB 3.94Å; L168-L182 HydrophobicContact CB-CD1 3.58Å; L168-L182 HydrophobicContact CD1-CD1 4.05Å; L168-L182 HydrophobicContact CG-CD1 4.48Å; T170-L182 HydrophobicContact CG2-CD1 3.41Å; T170-L182 VanDerWaalsContact CG2-CD1 3.41Å; T170-L182 HydrophobicContact CG2-CG 4.24Å; T170-L182 WeakPolarHBondContact O-CG 3.41Å; T170-L182 PolarHBondContact O-N 2.98Å; L172-L182 HydrophobicContact CD1-CD2 3.77Å; L172-L182 HydrophobicContact CD2-CD2 4.17Å; L172-L182 HydrophobicContact CG-CD2 3.58Å; I180-L182 PolarHBondContact O-N 3.04Å; L182-D184 VanDerWaalsContact C-N 3.31Å; L182-L185 HydrophobicContact CD2-CD1 3.69Å; L182-L185 VanDerWaalsContact O-CB 3.3Å; L182-L185 WeakPolarHBondContact O-CB 3.35Å; L182-L185 WeakPolarHBondContact O-CG 3.44Å; L182-L185 PolarHBondContact O-N 3.28Å
183L94Very high95.2Very high76 Ų7645.4 Ų45.440%0.39825%0.252SS..G310 helixtrans-75.3-16.3175.1-62.2179.9000113.6D181 L185 H190D181-L183 PolarHBondContact O-N 3.3Å; D181-L183 VanDerWaalsContact O-N 3.13Å; D181-L183 WeakPolarHBondContact OD1-CB 3.4Å; D181-L183 PolarHBondContact OD1-N 3.11Å; L183-L185 VanDerWaalsContact C-N 3.28Å; L183-H190 PolarHBondContact O-CE1 3.4Å; L183-H190 PolarHBondContact O-NE2 2.92Å
184D95.7Very high95.1Very high28 Ų2842.7 Ų42.715%0.1523%0.233CC..G310 helixtrans-79.5-11.5171.7-75.6-50.9000112.5I180 D181 L182 R389 L390 R392 V393I180-D184 HydrophobicContact CG2-CB 4.49Å; D181-D184 WeakPolarHBondContact O-CB 3.26Å; D181-D184 PolarHBondContact O-N 3.49Å; L182-D184 VanDerWaalsContact C-N 3.31Å; D184-R389 HydrophobicContact CB-CB 4.38Å; D184-L390 PolarHBondContact O-N 3.27Å; D184-R392 IonicContact OD1-NH2 2.71Å; D184-R392 PolarHBondContact OD1-NH2 2.82Å; D184-R392 VanDerWaalsContact OD1-NH2 3.1Å; D184-V393 HydrophobicContact CB-CG2 4.19Å; D184-V393 VanDerWaalsContact OD2-CG2 3.31Å; D184-V393 WeakPolarHBondContact OD2-CG2 3.44Å
185L96Very high94.8Very high9 Ų947.3 Ų47.35%0.04725%0.254CS..SBendtrans-65158170.2-60.3-179000111.2T150 I165 L172 I180 L182 L183 K187 V189 H190T150-L185 HydrophobicContact CG2-CD2 4.32Å; I165-L185 HydrophobicContact CD1-CD1 4.01Å; L172-L185 HydrophobicContact CD1-CD1 3.92Å; L172-L185 HydrophobicContact CD1-CD2 4.15Å; L172-L185 HydrophobicContact CD1-CG 4.49Å; I180-L185 HydrophobicContact CG2-CD2 4.26Å; L182-L185 HydrophobicContact CD2-CD1 3.69Å; L182-L185 VanDerWaalsContact O-CB 3.3Å; L182-L185 WeakPolarHBondContact O-CB 3.35Å; L182-L185 WeakPolarHBondContact O-CG 3.44Å; L182-L185 PolarHBondContact O-N 3.28Å; L183-L185 VanDerWaalsContact C-N 3.28Å; L185-K187 PolarHBondContact O-N 3.44Å; L185-V189 HydrophobicContact CB-CG2 3.88Å; L185-V189 HydrophobicContact CD1-CG2 4.37Å; L185-H190 PolarHBondContact O-NE2 3.02Å
186P93.7Very high94.5Very high21 Ų2145.4 Ų45.414%0.13624%0.242CC..  trans-50.6138176.2-26.133.4000112.6E188 V189 H190 E387P186-E188 VanDerWaalsContact CB-OE2 3.28Å; P186-E188 WeakPolarHBondContact CB-OE2 3.41Å; P186-E188 PolarHBondContact O-N 3.28Å; P186-E188 VanDerWaalsContact O-N 3.07Å; P186-V189 WeakPolarHBondContact O-CG2 3.44Å; P186-V189 PolarHBondContact O-N 3.35Å; P186-H190 PolarHBondContact O-CD2 3.2Å; P186-E387 HydrophobicContact CG-CB 3.95Å
187K92.5Very high94.4Very high126 Ų12644.5 Ų44.555%0.54823%0.233SC..G310 helixtrans-59.1-26.4-178.2-70.6-177.7176.2179.70112.3L185 V189 H190L185-K187 PolarHBondContact O-N 3.44Å; K187-V189 PolarHBondContact O-N 3.43Å; K187-H190 WeakPolarHBondContact O-CB 3.31Å; K187-H190 PolarHBondContact O-N 2.79Å; K187-H190 VanDerWaalsContact O-N 3.12Å
188E90.3Very high94.2Very high44 Ų4448.7 Ų48.721%0.20625%0.25CC..G310 helixtrans-59.7-24.1177.7-66.175.3-167.600113P186 S196 Y197 F200P186-E188 VanDerWaalsContact CB-OE2 3.28Å; P186-E188 WeakPolarHBondContact CB-OE2 3.41Å; P186-E188 PolarHBondContact O-N 3.28Å; P186-E188 VanDerWaalsContact O-N 3.07Å; E188-S196 CarbonylContact O-C 3.59Å; E188-Y197 WeakPolarHBondContact O-CA 3.38Å; E188-Y197 PolarHBondContact O-N 3.03Å; E188-F200 HydrophobicContact CB-CD2 3.99Å; E188-F200 HydrophobicContact CB-CE2 3.73Å; E188-F200 HydrophobicContact CB-CG 4.49Å; E188-F200 HydrophobicContact CB-CZ 4.03Å; E188-F200 HydrophobicContact CG-CE2 3.9Å; E188-F200 HydrophobicContact CG-CZ 4.08Å
189V94.6Very high94Very high7 Ų748.3 Ų48.34%0.04225%0.247CC..G310 helixtrans-102.63.8179.1-55.70000113.4L154 I165 L185 P186 K187 Y197 F200L154-V189 HydrophobicContact CD1-CB 4.14Å; L154-V189 HydrophobicContact CD1-CG1 4.32Å; L154-V189 HydrophobicContact CD2-CB 4.42Å; L154-V189 HydrophobicContact CD2-CG1 3.72Å; I165-V189 HydrophobicContact CD1-CB 4.41Å; I165-V189 HydrophobicContact CD1-CG2 4.13Å; I165-V189 WeakPolarHBondContact CD1-O 3.26Å; L185-V189 HydrophobicContact CB-CG2 3.88Å; L185-V189 HydrophobicContact CD1-CG2 4.37Å; P186-V189 WeakPolarHBondContact O-CG2 3.44Å; P186-V189 PolarHBondContact O-N 3.35Å; K187-V189 PolarHBondContact O-N 3.43Å; V189-Y197 HydrophobicContact CB-CD2 4.26Å; V189-Y197 VanDerWaalsContact O-CD2 3.22Å; V189-Y197 WeakPolarHBondContact O-CD2 3.43Å; V189-F200 HydrophobicContact CG1-CB 3.75Å; V189-F200 HydrophobicContact CG1-CD1 4.14Å; V189-F200 HydrophobicContact CG1-CG 4.08Å
190H95.2Very high93.8Very high29 Ų2942.3 Ų42.313%0.13422%0.221CC..SBendtrans-73.4-35.8-175-77.4-163.9000113.3S164 I165 K166 L183 L185 P186 K187S164-H190 WeakPolarHBondContact CB-O 3.48Å; I165-H190 PolarHBondContact N-O 2.93Å; K166-H190 HydrophobicContact CB-CB 4.2Å; K166-H190 PolarHBondContact N-O 2.95Å; L183-H190 PolarHBondContact O-CE1 3.4Å; L183-H190 PolarHBondContact O-NE2 2.92Å; L185-H190 PolarHBondContact O-NE2 3.02Å; P186-H190 PolarHBondContact O-CD2 3.2Å; K187-H190 WeakPolarHBondContact O-CB 3.31Å; K187-H190 PolarHBondContact O-N 2.79Å; K187-H190 VanDerWaalsContact O-N 3.12Å
191D95.2Very high93.7Very high50 Ų5043.7 Ų43.727%0.26723%0.227SC..  trans-111108.8-175.5-169.6-27.8000111.4K166 A193 S194 Y197K166-D191 HydrophobicContact CD-CB 4.5Å; K166-D191 IonicContact NZ-OD2 3.77Å; K166-D191 PolarHBondContact NZ-OD2 2.94Å; D191-A193 PolarHBondContact O-N 3.4Å; D191-A193 WeakPolarHBondContact OD1-CB 3.34Å; D191-A193 PolarHBondContact OD1-N 3.35Å; D191-S194 VanDerWaalsContact O-CB 3.31Å; D191-S194 WeakPolarHBondContact O-CB 3.49Å; D191-S194 PolarHBondContact O-N 2.92Å; D191-S194 PolarHBondContact O-OG 2.76Å; D191-Y197 WeakPolarHBondContact O-CB 3.46Å
192R95.2Very high93.7Very high51 Ų5144.8 Ų44.819%0.19223%0.233CC..THydrogen-bonded Turntrans-60.6-29.6-177.2-171.1-174.6-177.5111.2-7.4113H158 T161 T162 S164 S194 Y197H158-R192 PolarHBondContact CD2-NH2 2.74Å; H158-R192 VanDerWaalsContact CD2-NH2 3.32Å; H158-R192 PolarHBondContact CE1-NE 3.04Å; H158-R192 PolarHBondContact CE1-NH2 3.44Å; H158-R192 VanDerWaalsContact ND1-CZ 3.26Å; H158-R192 PolarHBondContact ND1-NH1 2.76Å; H158-R192 PolarHBondContact ND1-NH2 3.21Å; H158-R192 PolarHBondContact NE2-NH2 2.9Å; H158-R192 PolarHBondContact O-NH1 2.84Å; H158-R192 PolarHBondContact O-NH2 2.81Å; T161-R192 PolarHBondContact O-NH1 2.68Å; T162-R192 WeakPolarHBondContact O-CD 3.35Å; S164-R192 PolarHBondContact OG-N 3.26Å; S164-R192 VanDerWaalsContact OG-N 3.13Å; R192-S194 VanDerWaalsContact C-N 3.29Å; R192-Y197 HydrophobicContact CB-CD1 4.47Å; R192-Y197 HydrophobicContact CB-CE1 4.38Å; R192-Y197 HydrophobicContact CG-CD1 4.16Å; R192-Y197 HydrophobicContact CG-CE1 3.76Å; R192-Y197 WeakPolarHBondContact O-CD1 3.34Å
193A94.4Very high93.6Very high80 Ų8044.6 Ų44.666%0.66123%0.232SC*.THydrogen-bonded Turntrans-78.5-17-179.400000112.5D191D191-A193 PolarHBondContact O-N 3.4Å; D191-A193 WeakPolarHBondContact OD1-CB 3.34Å; D191-A193 PolarHBondContact OD1-N 3.35Å
194S92.5Very high93.7Very high33 Ų3341 Ų4123%0.23121%0.213CC..SBendtrans-69.6150.2-176.375.60000112.8D191 R192 S196 Y197 K198D191-S194 VanDerWaalsContact O-CB 3.31Å; D191-S194 WeakPolarHBondContact O-CB 3.49Å; D191-S194 PolarHBondContact O-N 2.92Å; D191-S194 PolarHBondContact O-OG 2.76Å; R192-S194 VanDerWaalsContact C-N 3.29Å; S194-S196 VanDerWaalsContact C-N 3.28Å; S194-S196 PolarHBondContact O-N 3.07Å; S194-Y197 PolarHBondContact O-N 2.98Å; S194-Y197 VanDerWaalsContact OG-CB 3.29Å; S194-Y197 WeakPolarHBondContact OG-CB 3.43Å; S194-Y197 PolarHBondContact OG-N 2.96Å; S194-Y197 VanDerWaalsContact OG-N 3.09Å; S194-K198 PolarHBondContact O-N 3.39Å
195Q89.7Confident93.6Very high106 Ų10641.6 Ų41.650%0.49522%0.218SC..Hα-helixtrans-63.3-36.8173.5-174.462.219.200111.6Y197 K198 L199Q195-Y197 VanDerWaalsContact C-N 3.35Å; Q195-Y197 PolarHBondContact O-N 3.29Å; Q195-K198 PolarHBondContact O-N 3.45Å; Q195-L199 HydrophobicContact CG-CD1 4.12Å; Q195-L199 WeakPolarHBondContact O-CG 3.48Å; Q195-L199 PolarHBondContact O-N 2.81Å; Q195-L199 VanDerWaalsContact O-N 3.12Å
196S89.8Confident93.5Very high23 Ų2342.2 Ų42.216%0.16122%0.223CC..Hα-helixtrans-59.7-45.2176.7-58.60000111.5H87 E188 S194 K198 L199 F200H87-S196 PolarHBondContact NE2-OG 3.11Å; E188-S196 CarbonylContact O-C 3.59Å; S194-S196 VanDerWaalsContact C-N 3.28Å; S194-S196 PolarHBondContact O-N 3.07Å; S196-K198 PolarHBondContact O-N 3.39Å; S196-L199 PolarHBondContact O-N 3.05Å; S196-F200 VanDerWaalsContact O-CD2 3.3Å; S196-F200 WeakPolarHBondContact O-CD2 3.23Å; S196-F200 PolarHBondContact O-N 3.04Å
197Y93.8Very high93.5Very high3 Ų341.2 Ų41.21%0.01222%0.216CC..Hα-helixtrans-58.5-47.2178.5176.5-81.8000112.2L154 H158 E188 V189 D191 R192 S194 Q195 L199 F200 H201L154-Y197 HydrophobicContact CD1-CE2 3.72Å; H158-Y197 AromaticContact CE1-CE1 3.77Å; H158-Y197 AromaticContact ND1-CE1 3.27Å; H158-Y197 VanDerWaalsContact ND1-CE1 3.27Å; H158-Y197 WeakPolarHBondContact ND1-CE1 3.46Å; H158-Y197 AromaticContact ND1-CZ 3.55Å; H158-Y197 PolarHBondContact ND1-OH 3.2Å; E188-Y197 WeakPolarHBondContact O-CA 3.38Å; E188-Y197 PolarHBondContact O-N 3.03Å; V189-Y197 HydrophobicContact CB-CD2 4.26Å; V189-Y197 VanDerWaalsContact O-CD2 3.22Å; V189-Y197 WeakPolarHBondContact O-CD2 3.43Å; D191-Y197 WeakPolarHBondContact O-CB 3.46Å; R192-Y197 HydrophobicContact CB-CD1 4.47Å; R192-Y197 HydrophobicContact CB-CE1 4.38Å; R192-Y197 HydrophobicContact CG-CD1 4.16Å; R192-Y197 HydrophobicContact CG-CE1 3.76Å; R192-Y197 WeakPolarHBondContact O-CD1 3.34Å; S194-Y197 PolarHBondContact O-N 2.98Å; S194-Y197 VanDerWaalsContact OG-CB 3.29Å; S194-Y197 WeakPolarHBondContact OG-CB 3.43Å; S194-Y197 PolarHBondContact OG-N 2.96Å; S194-Y197 VanDerWaalsContact OG-N 3.09Å; Q195-Y197 VanDerWaalsContact C-N 3.35Å; Q195-Y197 PolarHBondContact O-N 3.29Å; Y197-L199 VanDerWaalsContact C-N 3.32Å; Y197-L199 PolarHBondContact O-N 3.13Å; Y197-F200 PolarHBondContact O-N 3.03Å; Y197-H201 HydrophobicContact CE1-CB 4.4Å; Y197-H201 WeakPolarHBondContact O-CB 3.48Å; Y197-H201 PolarHBondContact O-N 2.71Å
198K93.4Very high93.4Very high105 Ų10536.6 Ų36.646%0.45720%0.195SC..Hα-helixtrans-59.1-44.6179-64.5175.9-173.5174.60111.4S194 Q195 S196 H201 D202S194-K198 PolarHBondContact O-N 3.39Å; Q195-K198 PolarHBondContact O-N 3.45Å; S196-K198 PolarHBondContact O-N 3.39Å; K198-H201 WeakPolarHBondContact O-CB 3.46Å; K198-H201 PolarHBondContact O-N 3.36Å; K198-D202 PolarHBondContact O-N 2.95Å
199L92.3Very high93.2Very high14 Ų1439 Ų397%0.07321%0.21CC..Hα-helixtrans-62.3-45.8177.4-70.7165.4000112.1I88 L91 F124 Q195 S196 Y197 H201 D202 I203I88-L199 HydrophobicContact CD1-CD1 3.58Å; L91-L199 HydrophobicContact CD1-CB 4.09Å; L91-L199 HydrophobicContact CD1-CD1 3.82Å; L91-L199 HydrophobicContact CD1-CG 4.38Å; F124-L199 HydrophobicContact CZ-CD2 4.39Å; Q195-L199 HydrophobicContact CG-CD1 4.12Å; Q195-L199 WeakPolarHBondContact O-CG 3.48Å; Q195-L199 PolarHBondContact O-N 2.81Å; Q195-L199 VanDerWaalsContact O-N 3.12Å; S196-L199 PolarHBondContact O-N 3.05Å; Y197-L199 VanDerWaalsContact C-N 3.32Å; Y197-L199 PolarHBondContact O-N 3.13Å; L199-H201 VanDerWaalsContact C-N 3.33Å; L199-H201 PolarHBondContact O-N 3.33Å; L199-D202 PolarHBondContact O-N 2.89Å; L199-I203 WeakPolarHBondContact O-CD1 3.21Å; L199-I203 WeakPolarHBondContact O-CG1 3.3Å; L199-I203 PolarHBondContact O-N 3.5Å
200F93.7Very high93Very high24 Ų2439.3 Ų39.311%0.10521%0.212CC..Hα-helixtrans-66.3-36.2178.2-87.3-105000112.1F151 L154 E188 V189 S196 Y197 I203 A204F151-F200 HydrophobicContact CE2-CB 3.96Å; F151-F200 AromaticContact CE2-CD1 3.66Å; F151-F200 HydrophobicContact CE2-CD1 3.66Å; F151-F200 HydrophobicContact CE2-CG 4.27Å; F151-F200 WeakPolarHBondContact CE2-O 3.2Å; F151-F200 HydrophobicContact CZ-CB 4.31Å; F151-F200 AromaticContact CZ-CD1 3.63Å; F151-F200 HydrophobicContact CZ-CD1 3.63Å; F151-F200 HydrophobicContact CZ-CE1 4.39Å; F151-F200 HydrophobicContact CZ-CG 4.32Å; F151-F200 WeakPolarHBondContact CZ-O 3.35Å; L154-F200 HydrophobicContact CD2-CB 3.94Å; E188-F200 HydrophobicContact CB-CD2 3.99Å; E188-F200 HydrophobicContact CB-CE2 3.73Å; E188-F200 HydrophobicContact CB-CG 4.49Å; E188-F200 HydrophobicContact CB-CZ 4.03Å; E188-F200 HydrophobicContact CG-CE2 3.9Å; E188-F200 HydrophobicContact CG-CZ 4.08Å; V189-F200 HydrophobicContact CG1-CB 3.75Å; V189-F200 HydrophobicContact CG1-CD1 4.14Å; V189-F200 HydrophobicContact CG1-CG 4.08Å; S196-F200 VanDerWaalsContact O-CD2 3.3Å; S196-F200 WeakPolarHBondContact O-CD2 3.23Å; S196-F200 PolarHBondContact O-N 3.04Å; Y197-F200 PolarHBondContact O-N 3.03Å; F200-I203 PolarHBondContact O-N 3.13Å; F200-A204 WeakPolarHBondContact O-CB 3.31Å; F200-A204 PolarHBondContact O-N 3.2Å
201H94.9Very high92.8Very high30 Ų3041.5 Ų41.514%0.13923%0.225CC..Hα-helixtrans-59.9-46.6171.8171.5-84.6000111.7L154 H158 Y197 K198 L199 A204 T205L154-H201 HydrophobicContact CD2-CB 4.25Å; L154-H201 HydrophobicContact CG-CB 4.5Å; H158-H201 AromaticContact CD2-NE2 3.76Å; H158-H201 AromaticContact CG-CD2 3.62Å; H158-H201 AromaticContact CG-NE2 3.68Å; H158-H201 AromaticContact ND1-CD2 3.99Å; Y197-H201 HydrophobicContact CE1-CB 4.4Å; Y197-H201 WeakPolarHBondContact O-CB 3.48Å; Y197-H201 PolarHBondContact O-N 2.71Å; K198-H201 WeakPolarHBondContact O-CB 3.46Å; K198-H201 PolarHBondContact O-N 3.36Å; L199-H201 VanDerWaalsContact C-N 3.33Å; L199-H201 PolarHBondContact O-N 3.33Å; H201-A204 PolarHBondContact O-N 3.12Å; H201-T205 PolarHBondContact O-N 3.04Å; H201-T205 PolarHBondContact O-OG1 3.41Å
202D94.6Very high92.9Very high77 Ų7739.1 Ų39.141%0.41221%0.212SC..Hα-helixtrans-66.9-38.4179.7-64.9-13000111.7F124 K198 L199 T205 C206F124-D202 HydrophobicContact CE2-CB 3.77Å; F124-D202 HydrophobicContact CZ-CB 4.13Å; K198-D202 PolarHBondContact O-N 2.95Å; L199-D202 PolarHBondContact O-N 2.89Å; D202-T205 PolarHBondContact O-N 3.17Å; D202-C206 WeakPolarHBondContact O-CB 3.34Å; D202-C206 PolarHBondContact O-N 3.09Å
203I94.9Very high93Very high0 Ų036.7 Ų36.70%020%0.203CC..Hα-helixtrans-59.9-51.2172.7-70163.4000110.6L91 F121 M122 F124 F151 L199 F200 T205 C206 M207L91-I203 HydrophobicContact CD2-CD1 4.16Å; F121-I203 HydrophobicContact CD2-CG2 3.9Å; M122-I203 HydrophobicContact SD-CD1 4.16Å; F124-I203 HydrophobicContact CB-CG1 4.12Å; F124-I203 HydrophobicContact CD1-CB 4.46Å; F124-I203 HydrophobicContact CD1-CD1 3.99Å; F124-I203 HydrophobicContact CD1-CG1 3.23Å; F124-I203 HydrophobicContact CD2-CG1 4.22Å; F124-I203 HydrophobicContact CE1-CD1 4.12Å; F124-I203 HydrophobicContact CE1-CG1 3.55Å; F124-I203 HydrophobicContact CE2-CG1 4.48Å; F124-I203 HydrophobicContact CG-CB 4.4Å; F124-I203 HydrophobicContact CG-CG1 3.58Å; F124-I203 HydrophobicContact CZ-CG1 4.17Å; F151-I203 HydrophobicContact CE1-CB 4.45Å; F151-I203 HydrophobicContact CE1-CG2 3.58Å; F151-I203 HydrophobicContact CZ-CB 3.88Å; F151-I203 HydrophobicContact CZ-CG2 3.51Å; L199-I203 WeakPolarHBondContact O-CD1 3.21Å; L199-I203 WeakPolarHBondContact O-CG1 3.3Å; L199-I203 PolarHBondContact O-N 3.5Å; F200-I203 PolarHBondContact O-N 3.13Å; I203-T205 VanDerWaalsContact C-N 3.3Å; I203-T205 PolarHBondContact O-N 3.4Å; I203-C206 PolarHBondContact O-N 3.48Å; I203-M207 HydrophobicContact CG2-CE 4.22Å; I203-M207 WeakPolarHBondContact O-CG 3.22Å; I203-M207 PolarHBondContact O-N 2.96Å
204A95.2Very high93.2Very high0 Ų032.9 Ų32.90%017%0.171CC..Hα-helixtrans-59.9-41.7-179.500000111.8F151 L154 P155 F200 H201 R208F151-A204 HydrophobicContact CD2-CB 3.91Å; F151-A204 HydrophobicContact CE2-CB 3.76Å; F151-A204 HydrophobicContact CG-CB 4.48Å; F151-A204 HydrophobicContact CZ-CB 4.24Å; F151-A204 WeakPolarHBondContact O-CB 3.46Å; L154-A204 HydrophobicContact CB-CB 4.29Å; P155-A204 HydrophobicContact CG-CB 4.03Å; F200-A204 WeakPolarHBondContact O-CB 3.31Å; F200-A204 PolarHBondContact O-N 3.2Å; H201-A204 PolarHBondContact O-N 3.12Å; A204-R208 WeakPolarHBondContact O-CG 3.04Å; A204-R208 PolarHBondContact O-N 3.2Å
205T94.3Very high93.4Very high42 Ų4231.3 Ų31.326%0.25816%0.16SC..Hα-helixtrans-63.6-48175.4-55.10000111P155 H201 D202 I203 M207 R208 D209P155-T205 WeakPolarHBondContact CG-OG1 3.34Å; H201-T205 PolarHBondContact O-N 3.04Å; H201-T205 PolarHBondContact O-OG1 3.41Å; D202-T205 PolarHBondContact O-N 3.17Å; I203-T205 VanDerWaalsContact C-N 3.3Å; I203-T205 PolarHBondContact O-N 3.4Å; T205-M207 VanDerWaalsContact C-N 3.32Å; T205-M207 PolarHBondContact O-N 3.37Å; T205-R208 WeakPolarHBondContact O-CB 3.49Å; T205-R208 PolarHBondContact O-N 3.27Å; T205-R208 VanDerWaalsContact O-N 3.11Å; T205-D209 PolarHBondContact O-N 2.86Å
206C93.9Very high93.7Very high22 Ų2226.2 Ų26.215%0.14914%0.137CC..Hα-helixtrans-60.9-39.1-179-172.50000113F124 K127 D202 I203 R208 D209F124-C206 HydrophobicContact CB-CB 4.26Å; F124-C206 HydrophobicContact CD2-CB 4.03Å; K127-C206 WeakPolarHBondContact CD-SG 3.3Å; D202-C206 WeakPolarHBondContact O-CB 3.34Å; D202-C206 PolarHBondContact O-N 3.09Å; I203-C206 PolarHBondContact O-N 3.48Å; C206-R208 VanDerWaalsContact C-N 3.35Å; C206-D209 PolarHBondContact O-N 3.05Å
207M93.5Very high94.1Very high0 Ų025.1 Ų25.10%013%0.129CC..Hα-helixtrans-68.5-29.8176.3-72.1-164.3-57.900113.3F121 F139 Y141 L148 F151 I203 T205 D209 S210 V213 P242F121-M207 HydrophobicContact CB-SD 3.77Å; F139-M207 HydrophobicContact CB-CG 4.39Å; F139-M207 HydrophobicContact CB-SD 4.46Å; F139-M207 HydrophobicContact CD2-CB 4.2Å; F139-M207 HydrophobicContact CD2-CG 3.66Å; F139-M207 HydrophobicContact CE2-CG 4.01Å; F139-M207 HydrophobicContact CG-CG 3.93Å; Y141-M207 HydrophobicContact CD2-CE 4.39Å; Y141-M207 HydrophobicContact CD2-SD 4.16Å; Y141-M207 HydrophobicContact CE2-CE 4.41Å; L148-M207 HydrophobicContact CD1-CE 3.97Å; L148-M207 HydrophobicContact CD1-SD 4.48Å; F151-M207 HydrophobicContact CD1-CE 3.39Å; F151-M207 HydrophobicContact CE1-CE 3.44Å; F151-M207 VanDerWaalsContact CE1-CE 3.44Å; F151-M207 HydrophobicContact CG-CE 4.36Å; F151-M207 HydrophobicContact CZ-CE 4.44Å; I203-M207 HydrophobicContact CG2-CE 4.22Å; I203-M207 WeakPolarHBondContact O-CG 3.22Å; I203-M207 PolarHBondContact O-N 2.96Å; T205-M207 VanDerWaalsContact C-N 3.32Å; T205-M207 PolarHBondContact O-N 3.37Å; M207-D209 VanDerWaalsContact C-N 3.26Å; M207-D209 PolarHBondContact O-N 2.95Å; M207-S210 PolarHBondContact O-N 3.43Å; M207-S210 PolarHBondContact O-OG 3.25Å; M207-S210 VanDerWaalsContact O-OG 3.06Å; M207-V213 HydrophobicContact CB-CG2 4.36Å; M207-P242 WeakPolarHBondContact O-CB 3.39Å
208R90.4Very high94.3Very high28 Ų2825 Ų2511%0.10613%0.128CC..Hα-helixtrans-65.6-33.5175.6-74.4175.456.8-141.3-10.1112.3L152 A204 T205 C206 T240L152-R208 HydrophobicContact CD2-CG 3.63Å; A204-R208 WeakPolarHBondContact O-CG 3.04Å; A204-R208 PolarHBondContact O-N 3.2Å; T205-R208 WeakPolarHBondContact O-CB 3.49Å; T205-R208 PolarHBondContact O-N 3.27Å; T205-R208 VanDerWaalsContact O-N 3.11Å; C206-R208 VanDerWaalsContact C-N 3.35Å; R208-T240 PolarHBondContact NE-O 3.12Å; R208-T240 VanDerWaalsContact NE-O 3.16Å; R208-T240 PolarHBondContact NH2-O 3.1Å
209D85.9Confident94.5Very high96 Ų9623.8 Ų23.851%0.51313%0.127SC..THydrogen-bonded Turntrans-9412.4-177.1-59.5-26.4000113K127 T205 C206 M207K127-D209 WeakPolarHBondContact CE-O 3.38Å; K127-D209 PolarHBondContact NZ-O 3.07Å; T205-D209 PolarHBondContact O-N 2.86Å; C206-D209 PolarHBondContact O-N 3.05Å; M207-D209 VanDerWaalsContact C-N 3.26Å; M207-D209 PolarHBondContact O-N 2.95Å
210S89.9Confident94.7Very high13 Ų1325.3 Ų25.39%0.09114%0.138CC..SBendtrans-86.2165.6179.874.30000113M207 G212M207-S210 PolarHBondContact O-N 3.43Å; M207-S210 PolarHBondContact O-OG 3.25Å; M207-S210 VanDerWaalsContact O-OG 3.06Å; S210-G212 PolarHBondContact O-N 3.02Å; S210-G212 PolarHBondContact OG-N 3.2Å; S210-G212 PolarHBondContact OG-O 2.89Å
211D92.3Very high94.9Very high74 Ų7424.5 Ų24.540%0.39613%0.134SC..SBendtrans-67.2-18.1174.2-58.2-58.4000112.1T137 F138T137-D211 PolarHBondContact N-OD2 3.42Å; T137-D211 PolarHBondContact O-N 2.91Å; F138-D211 HydrophobicContact CD1-CB 4.46Å; F138-D211 HydrophobicContact CE1-CB 4.08Å; F138-D211 HydrophobicContact CE2-CB 4.41Å; F138-D211 HydrophobicContact CZ-CB 4.05Å
212G95.6Very high95Very high0 Ų023.1 Ų23.10%013%0.128CC..EExtended strand (participates in β ladder)trans167.8172.9168.800000113.7F138 F139 S210 H243F138-G212 WeakPolarHBondContact CA-O 3.29Å; F139-G212 PolarHBondContact N-O 3.31Å; S210-G212 PolarHBondContact O-N 3.02Å; S210-G212 PolarHBondContact OG-N 3.2Å; S210-G212 PolarHBondContact OG-O 2.89Å; G212-H243 CarbonylContact C-O 3.45Å; G212-H243 WeakPolarHBondContact CA-O 3.43Å
213V97.6Very high95.2Very high0 Ų020.6 Ų20.60%012%0.12CC..EExtended strand (participates in β ladder)trans-127.7117178.8-174.10000108.8F139 L148 M207 V215 P242 H243 V244 F245F139-V213 HydrophobicContact CB-CG1 4.45Å; F139-V213 HydrophobicContact CB-CG2 4.43Å; F139-V213 CarbonylContact O-C 3.51Å; F139-V213 WeakPolarHBondContact O-CA 3.3Å; L148-V213 HydrophobicContact CD1-CG1 4.24Å; L148-V213 HydrophobicContact CD2-CB 4.36Å; L148-V213 HydrophobicContact CD2-CG1 3.87Å; M207-V213 HydrophobicContact CB-CG2 4.36Å; V213-V215 HydrophobicContact CG1-CG2 4.06Å; V213-P242 HydrophobicContact CG2-CB 3.96Å; V213-P242 HydrophobicContact CG2-CG 4.03Å; V213-H243 PolarHBondContact N-O 3.22Å; V213-V244 CarbonylContact O-C 3.56Å; V213-V244 WeakPolarHBondContact O-CA 3.4Å; V213-F245 PolarHBondContact O-N 3.03Å
214I98.2Very high95.3Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-85.3127.3173.9-54.7170.3000107.7V118 F138 F139 Y140 Y141 F245 I247 L462V118-I214 HydrophobicContact CG1-CD1 3.9Å; V118-I214 HydrophobicContact CG2-CD1 4.17Å; F138-I214 HydrophobicContact CB-CD1 4.25Å; F139-I214 PolarHBondContact O-N 3.29Å; Y140-I214 HydrophobicContact CD2-CB 3.93Å; Y140-I214 HydrophobicContact CD2-CG2 3.71Å; Y140-I214 HydrophobicContact CE2-CG2 4.07Å; Y141-I214 PolarHBondContact N-O 3.07Å; I214-F245 WeakPolarHBondContact CA-O 3.35Å; I214-I247 HydrophobicContact CG2-CD1 3.25Å; I214-I247 HydrophobicContact CG2-CG1 3.59Å; I214-L462 HydrophobicContact CD1-CD1 4.29Å; I214-L462 HydrophobicContact CD1-CD2 3.59Å; I214-L462 HydrophobicContact CG1-CD1 4.23Å; I214-L462 HydrophobicContact CG1-CD2 3.79Å
215V97.9Very high95.4Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-123.6134.6-175-172.60000110Y141 S143 A145 L148 V213 T217 V244 F245 C246 I247Y141-V215 HydrophobicContact CD1-CG1 4.49Å; S143-V215 WeakPolarHBondContact O-CG1 3.31Å; A145-V215 HydrophobicContact CB-CG1 4.38Å; L148-V215 HydrophobicContact CD2-CG2 3.59Å; V213-V215 HydrophobicContact CG1-CG2 4.06Å; V215-T217 VanDerWaalsContact C-N 3.27Å; V215-T217 HydrophobicContact CB-CG2 4.38Å; V215-T217 HydrophobicContact CG1-CG2 3.72Å; V215-T217 PolarHBondContact O-N 3.11Å; V215-V244 HydrophobicContact CG2-CG1 3.67Å; V215-F245 PolarHBondContact N-O 3.36Å; V215-C246 WeakPolarHBondContact O-CA 3.39Å; V215-I247 PolarHBondContact O-N 3.3Å
216N96.3Very high95.6Very high0 Ų026 Ų260%014%0.137CC..SBendtrans-82.967.7179.3-166.85.5000111.9Y140 G248 V250 W366 L370Y140-N216 HydrophobicContact CE2-CB 4.33Å; N216-G248 WeakPolarHBondContact OD1-CA 3.34Å; N216-V250 PolarHBondContact ND2-O 2.97Å; N216-V250 PolarHBondContact OD1-N 3.47Å; N216-W366 PolarHBondContact O-NE1 3.21Å; N216-L370 HydrophobicContact CB-CD1 4.34Å; N216-L370 WeakPolarHBondContact ND2-CD1 3.25Å; N216-L370 WeakPolarHBondContact O-CD1 3.45Å
217T97.7Very high95.7Very high0 Ų030.7 Ų30.70%016%0.155CC..  trans-155.3178.3176.5-165.60000110.8A145 V215 E222 I226 C246 I247 G248A145-T217 HydrophobicContact CB-CG2 3.74Å; V215-T217 VanDerWaalsContact C-N 3.27Å; V215-T217 HydrophobicContact CB-CG2 4.38Å; V215-T217 HydrophobicContact CG1-CG2 3.72Å; V215-T217 PolarHBondContact O-N 3.11Å; T217-E222 WeakPolarHBondContact CB-OE2 3.42Å; T217-E222 VanDerWaalsContact CG2-OE2 3.3Å; T217-E222 WeakPolarHBondContact CG2-OE2 3.28Å; T217-E222 PolarHBondContact OG1-OE2 3.1Å; T217-I226 HydrophobicContact CG2-CD1 3.92Å; T217-I226 HydrophobicContact CG2-CG1 4.35Å; T217-C246 HydrophobicContact CG2-CB 4Å; T217-C246 CarbonylContact O-C 3.18Å; T217-C246 VanDerWaalsContact O-C 3.29Å; T217-C246 WeakPolarHBondContact O-CB 3.47Å; T217-I247 PolarHBondContact O-N 2.88Å; T217-G248 WeakPolarHBondContact O-CA 3.15Å; T217-G248 PolarHBondContact O-N 2.67Å
218C97.3Very high95.9Very high0 Ų030.9 Ų30.90%016%0.157CC..  trans-153167.8177.362.20000113.2I221 E222 I226 G248 A448 S455C218-I221 PolarHBondContact O-N 3.4Å; C218-E222 PolarHBondContact O-N 3.16Å; C218-I226 VanDerWaalsContact C-CD1 3.41Å; C218-I226 WeakPolarHBondContact O-CD1 3.37Å; C218-G248 WeakPolarHBondContact CB-O 3.48Å; C218-A448 HydrophobicContact CB-CB 3.84Å; C218-S455 WeakPolarHBondContact CB-OG 3.21Å
219D97.2Very high96.2Very high80 Ų8029.8 Ų29.843%0.42815%0.153SC..Hα-helixtrans-55.4-41.5-173.5-63.4-6.6000114.4I221 G223 S454D219-I221 PolarHBondContact O-N 3.03Å; D219-G223 WeakPolarHBondContact O-CA 3.35Å; D219-G223 PolarHBondContact O-N 3.09Å; D219-S454 VanDerWaalsContact OD2-CB 3.29Å; D219-S454 WeakPolarHBondContact OD2-CB 3.33Å
220P97Very high96.5Very high46 Ų4629.5 Ų29.530%0.29916%0.158SC..Hα-helixtrans-65.3-18.6177.1-25.738.5000114.6A448P220-A448 HydrophobicContact CG-CB 4.38Å
221I98Very high96.7Very high6 Ų633.8 Ų33.83%0.03118%0.177CC..Hα-helixtrans-95-49.8-179.7-56.4-179.2000110.4C218 D219 P249 W366 L370 V373 M399 M441 A445C218-I221 PolarHBondContact O-N 3.4Å; D219-I221 PolarHBondContact O-N 3.03Å; I221-P249 HydrophobicContact CD1-CG 3.81Å; I221-W366 HydrophobicContact CG2-CH2 4.25Å; I221-W366 HydrophobicContact CG2-CZ2 4.43Å; I221-L370 HydrophobicContact CD1-CD2 3.79Å; I221-V373 HydrophobicContact CD1-CG1 4.09Å; I221-V373 HydrophobicContact CG1-CG1 4.33Å; I221-M399 HydrophobicContact CG2-CE 3.71Å; I221-M399 HydrophobicContact CG2-SD 4.49Å; I221-M441 HydrophobicContact CB-SD 4.26Å; I221-M441 HydrophobicContact CG1-CG 3.93Å; I221-M441 HydrophobicContact CG1-SD 4.02Å; I221-M441 HydrophobicContact CG2-SD 4.08Å; I221-A445 HydrophobicContact CD1-CB 4.42Å
222E97.9Very high96.7Very high2 Ų231.8 Ų31.81%0.00917%0.174CC..Hα-helixtrans-13324.5-171.1-68-173.2100.100114G144 A145 S146 T217 C218 R224 V225 I226 W366G144-E222 VanDerWaalsContact CA-OE2 3.26Å; G144-E222 WeakPolarHBondContact CA-OE2 3.44Å; A145-E222 HydrophobicContact CB-CB 4.41Å; A145-E222 PolarHBondContact N-OE1 3.28Å; A145-E222 PolarHBondContact N-OE2 3.26Å; S146-E222 WeakPolarHBondContact CB-OE1 3.16Å; S146-E222 PolarHBondContact N-OE1 2.87Å; S146-E222 PolarHBondContact OG-OE1 3.21Å; T217-E222 WeakPolarHBondContact CB-OE2 3.42Å; T217-E222 VanDerWaalsContact CG2-OE2 3.3Å; T217-E222 WeakPolarHBondContact CG2-OE2 3.28Å; T217-E222 PolarHBondContact OG1-OE2 3.1Å; C218-E222 PolarHBondContact O-N 3.16Å; E222-R224 PolarHBondContact O-N 3.33Å; E222-V225 HydrophobicContact CB-CG1 3.92Å; E222-V225 VanDerWaalsContact O-CG1 3.27Å; E222-V225 WeakPolarHBondContact O-CG1 2.96Å; E222-V225 PolarHBondContact O-N 3.44Å; E222-V225 VanDerWaalsContact O-N 3.12Å; E222-I226 HydrophobicContact CB-CD1 4.12Å; E222-I226 HydrophobicContact CB-CG1 4.21Å; E222-I226 WeakPolarHBondContact O-CG1 3.42Å; E222-I226 PolarHBondContact O-N 3.23Å; E222-I226 VanDerWaalsContact O-N 3.09Å; E222-W366 HydrophobicContact CG-CH2 4.18Å; E222-W366 HydrophobicContact CG-CZ2 4.49Å; E222-W366 VanDerWaalsContact OE2-CZ2 3.26Å; E222-W366 WeakPolarHBondContact OE2-CZ2 3.41Å
223G97.2Very high96.7Very high24 Ų2436.3 Ų36.325%0.24720%0.197CC..Hα-helixtrans-53.5-29.7-168.500000116.4D219 K227D219-G223 WeakPolarHBondContact O-CA 3.35Å; D219-G223 PolarHBondContact O-N 3.09Å; G223-K227 WeakPolarHBondContact O-CB 3.38Å; G223-K227 PolarHBondContact O-N 2.99Å
224R97.7Very high96.5Very high134 Ų13436.4 Ų36.451%0.50620%0.198SC..Hα-helixtrans-65.1-48.1178.6-60.8-162.5-63.6146.1-2.8112.3G176 E222 A228 D398G176-R224 WeakPolarHBondContact O-CB 3.4Å; E222-R224 PolarHBondContact O-N 3.33Å; R224-A228 PolarHBondContact O-N 2.81Å; R224-D398 IonicContact CZ-OD1 2.78Å; R224-D398 IonicContact NE-OD1 3.7Å; R224-D398 PolarHBondContact NE-OD1 2.84Å; R224-D398 IonicContact NH2-OD1 2.88Å; R224-D398 PolarHBondContact NH2-OD1 2.83Å
225V98Very high96.3Very high0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-77.7-31.5178.664.50000111.9A145 A149 L177 E222 K227 A228 L229A145-V225 HydrophobicContact CB-CG1 3.88Å; A149-V225 HydrophobicContact CB-CG2 3.61Å; L177-V225 HydrophobicContact CD1-CG2 4.34Å; L177-V225 HydrophobicContact CD2-CB 3.62Å; L177-V225 HydrophobicContact CD2-CG1 4.01Å; L177-V225 HydrophobicContact CD2-CG2 3.8Å; L177-V225 HydrophobicContact CG-CB 4.18Å; L177-V225 HydrophobicContact CG-CG2 3.95Å; E222-V225 HydrophobicContact CB-CG1 3.92Å; E222-V225 VanDerWaalsContact O-CG1 3.27Å; E222-V225 WeakPolarHBondContact O-CG1 2.96Å; E222-V225 PolarHBondContact O-N 3.44Å; E222-V225 VanDerWaalsContact O-N 3.12Å; V225-K227 VanDerWaalsContact C-N 3.29Å; V225-K227 PolarHBondContact O-N 3.26Å; V225-A228 PolarHBondContact O-N 3.23Å; V225-L229 HydrophobicContact CG2-CD1 4.31Å; V225-L229 HydrophobicContact CG2-CG 4.39Å; V225-L229 WeakPolarHBondContact O-CB 3.43Å; V225-L229 WeakPolarHBondContact O-CG 3.26Å; V225-L229 PolarHBondContact O-N 2.92Å
226I97.8Very high96Very high20 Ų2039.7 Ų39.710%0.10322%0.219CC..Hα-helixtrans-59.2-45.6173.3-64.5173000109.9A145 T217 C218 E222 L229 S230 C246A145-I226 HydrophobicContact CB-CG1 3.86Å; T217-I226 HydrophobicContact CG2-CD1 3.92Å; T217-I226 HydrophobicContact CG2-CG1 4.35Å; C218-I226 VanDerWaalsContact C-CD1 3.41Å; C218-I226 WeakPolarHBondContact O-CD1 3.37Å; E222-I226 HydrophobicContact CB-CD1 4.12Å; E222-I226 HydrophobicContact CB-CG1 4.21Å; E222-I226 WeakPolarHBondContact O-CG1 3.42Å; E222-I226 PolarHBondContact O-N 3.23Å; E222-I226 VanDerWaalsContact O-N 3.09Å; I226-L229 PolarHBondContact O-N 2.89Å; I226-S230 WeakPolarHBondContact O-CB 3.34Å; I226-S230 PolarHBondContact O-N 2.86Å; I226-S230 PolarHBondContact O-OG 3.03Å; I226-C246 HydrophobicContact CD1-CB 4.02Å
227K97.1Very high95.7Very high122 Ų12249.4 Ų49.453%0.5326%0.264SS..Hα-helixtrans-58.2-50.7174.2-176.5178.6176.2-177.50111.4G223 V225 L229 S230 E231G223-K227 WeakPolarHBondContact O-CB 3.38Å; G223-K227 PolarHBondContact O-N 2.99Å; V225-K227 VanDerWaalsContact C-N 3.29Å; V225-K227 PolarHBondContact O-N 3.26Å; K227-L229 VanDerWaalsContact C-N 3.33Å; K227-L229 PolarHBondContact O-N 2.86Å; K227-S230 PolarHBondContact O-N 3.45Å; K227-S230 VanDerWaalsContact O-N 3.13Å; K227-S230 PolarHBondContact O-OG 2.77Å; K227-E231 VanDerWaalsContact CE-CD 3.45Å; K227-E231 WeakPolarHBondContact CE-OE1 3.4Å; K227-E231 WeakPolarHBondContact CE-OE2 3.47Å; K227-E231 HydrophobicContact CG-CG 4.46Å; K227-E231 IonicContact NZ-OE1 3.26Å; K227-E231 WeakPolarHBondContact O-CG 3.12Å; K227-E231 PolarHBondContact O-N 3.09Å
228A96.9Very high95.1Very high4 Ų453.3 Ų53.33%0.03330%0.304CS..Hα-helixtrans-60-39.618000000113.4P175 R224 V225 E231 G232 L233 C234P175-A228 HydrophobicContact CB-CB 4.02Å; P175-A228 WeakPolarHBondContact O-CB 3.36Å; R224-A228 PolarHBondContact O-N 2.81Å; V225-A228 PolarHBondContact O-N 3.23Å; A228-E231 PolarHBondContact O-N 3.18Å; A228-G232 PolarHBondContact O-N 3.42Å; A228-L233 HydrophobicContact CB-CB 4.39Å; A228-L233 PolarHBondContact O-N 3.05Å; A228-C234 VanDerWaalsContact C-SG 3.58Å; A228-C234 VanDerWaalsContact CB-SG 3.56Å
229L95.9Very high94.7Very high4 Ų455.4 Ų55.42%0.02132%0.315CS..Hα-helixtrans-63.3-45.4173.7-77.6167.2000111.3A145 L148 A149 L152 V225 I226 K227 E231 G232 C234 V244A145-L229 HydrophobicContact CB-CD1 3.98Å; L148-L229 HydrophobicContact CD2-CD1 4.45Å; A149-L229 HydrophobicContact CB-CD1 4.41Å; A149-L229 HydrophobicContact CB-CD2 4.05Å; A149-L229 HydrophobicContact CB-CG 4.3Å; L152-L229 HydrophobicContact CD1-CD2 4.03Å; V225-L229 HydrophobicContact CG2-CD1 4.31Å; V225-L229 HydrophobicContact CG2-CG 4.39Å; V225-L229 WeakPolarHBondContact O-CB 3.43Å; V225-L229 WeakPolarHBondContact O-CG 3.26Å; V225-L229 PolarHBondContact O-N 2.92Å; I226-L229 PolarHBondContact O-N 2.89Å; K227-L229 VanDerWaalsContact C-N 3.33Å; K227-L229 PolarHBondContact O-N 2.86Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 3Å; L229-G232 PolarHBondContact O-N 2.92Å; L229-G232 VanDerWaalsContact O-N 3.15Å; L229-C234 HydrophobicContact CD2-CB 3.9Å; L229-C234 HydrophobicContact CG-CB 4.49Å; L229-V244 HydrophobicContact CB-CG2 4.36Å; L229-V244 HydrophobicContact CD1-CG1 4.48Å
230S93.6Very high94.2Very high90 Ų9055.8 Ų55.863%0.62932%0.32SS*.Hα-helixtrans-66.2-28.8-179.372.50000113.6I226 K227 G232I226-S230 WeakPolarHBondContact O-CB 3.34Å; I226-S230 PolarHBondContact O-N 2.86Å; I226-S230 PolarHBondContact O-OG 3.03Å; K227-S230 PolarHBondContact O-N 3.45Å; K227-S230 VanDerWaalsContact O-N 3.13Å; K227-S230 PolarHBondContact O-OG 2.77Å; S230-G232 VanDerWaalsContact C-N 3.35Å
231E93.6Very high93.8Very high104 Ų10455 Ų5549%0.48632%0.316SS..THydrogen-bonded Turntrans-90.31.7177.5-67.4175.2165.600112.5K227 A228 L229 L233K227-E231 VanDerWaalsContact CE-CD 3.45Å; K227-E231 WeakPolarHBondContact CE-OE1 3.4Å; K227-E231 WeakPolarHBondContact CE-OE2 3.47Å; K227-E231 HydrophobicContact CG-CG 4.46Å; K227-E231 IonicContact NZ-OE1 3.26Å; K227-E231 WeakPolarHBondContact O-CG 3.12Å; K227-E231 PolarHBondContact O-N 3.09Å; A228-E231 PolarHBondContact O-N 3.18Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 3Å; E231-L233 HydrophobicContact CB-CD1 3.95Å; E231-L233 HydrophobicContact CB-CG 3.76Å; E231-L233 PolarHBondContact O-N 3.27Å; E231-L233 VanDerWaalsContact OE2-CD1 3.31Å; E231-L233 WeakPolarHBondContact OE2-CD1 3.25Å
232G92.5Very high93.5Very high32 Ų3255.2 Ų55.233%0.3332%0.317SS..THydrogen-bonded Turntrans69.111.4-178.800000114.5A228 L229 S230 C234A228-G232 PolarHBondContact O-N 3.42Å; L229-G232 PolarHBondContact O-N 2.92Å; L229-G232 VanDerWaalsContact O-N 3.15Å; S230-G232 VanDerWaalsContact C-N 3.35Å; G232-C234 VanDerWaalsContact C-N 3.26Å; G232-C234 PolarHBondContact O-N 3.44Å
233L94.6Very high93.3Very high94 Ų9461.2 Ų61.249%0.49235%0.345SS..THydrogen-bonded Turntrans-76.8-14.3-175-58.9178.8000113.2P175 A228 E231 L235P175-L233 HydrophobicContact CB-CB 4.2Å; P175-L233 WeakPolarHBondContact CD-O 3.3Å; P175-L233 HydrophobicContact CG-CB 4.2Å; P175-L233 WeakPolarHBondContact CG-O 3.48Å; A228-L233 HydrophobicContact CB-CB 4.39Å; A228-L233 PolarHBondContact O-N 3.05Å; E231-L233 HydrophobicContact CB-CD1 3.95Å; E231-L233 HydrophobicContact CB-CG 3.76Å; E231-L233 PolarHBondContact O-N 3.27Å; E231-L233 VanDerWaalsContact OE2-CD1 3.31Å; E231-L233 WeakPolarHBondContact OE2-CD1 3.25Å; L233-L235 PolarHBondContact O-N 3.16Å
234C94.6Very high93.3Very high3 Ų361.4 Ų61.42%0.0234%0.341CS..THydrogen-bonded Turntrans-75.1-8.9180-70.40000113.6A149 Q153 I174 A228 L229 G232A149-C234 HydrophobicContact CB-CB 4.45Å; Q153-C234 PolarHBondContact NE2-O 2.94Å; I174-C234 HydrophobicContact CG2-CB 4Å; A228-C234 VanDerWaalsContact C-SG 3.58Å; A228-C234 VanDerWaalsContact CB-SG 3.56Å; L229-C234 HydrophobicContact CD2-CB 3.9Å; L229-C234 HydrophobicContact CG-CB 4.49Å; G232-C234 VanDerWaalsContact C-N 3.26Å; G232-C234 PolarHBondContact O-N 3.44Å
235L93.5Very high93.3Very high13 Ų1355.6 Ų55.67%0.06832%0.32CS..SBendtrans-127.9157.6-179.2-70.4166.6000110.5L152 V156 L233 M239L152-L235 HydrophobicContact CB-CD2 4.22Å; L152-L235 WeakPolarHBondContact O-CD2 3.16Å; V156-L235 HydrophobicContact CG2-CD2 4.04Å; L233-L235 PolarHBondContact O-N 3.16Å; L235-M239 HydrophobicContact CB-CB 4.29Å
236P92.5Very high93.3Very high55 Ų5556 Ų5636%0.35732%0.322SS..  trans-54.8149.1171.9-24.733.5000112.8V156 G238 M239V156-P236 HydrophobicContact CG1-CG 3.73Å; V156-P236 HydrophobicContact CG2-CG 4Å; P236-G238 PolarHBondContact O-N 3.19Å; P236-M239 HydrophobicContact CB-CG 4.37Å; P236-M239 HydrophobicContact CB-SD 3.95Å; P236-M239 HydrophobicContact CG-SD 3.72Å; P236-M239 WeakPolarHBondContact O-CB 3.33Å; P236-M239 PolarHBondContact O-N 3.38Å; P236-M239 VanDerWaalsContact O-N 3.12Å
237E88.8Confident93.3Very high205 Ų20555.2 Ų55.296%0.95832%0.319SS*.THydrogen-bonded Turntrans-57.7136177.8-166.4172.6-171.900111.3M239E237-M239 VanDerWaalsContact C-N 3.33Å
238G86.4Confident93.2Very high82 Ų8249.4 Ų49.485%0.84529%0.293SS*.THydrogen-bonded Turntrans87.1-10.1-17600000115.1P236P236-G238 PolarHBondContact O-N 3.19Å
239M89.1Confident93.2Very high44 Ų4449.3 Ų49.322%0.21729%0.292CS..SBendtrans-86.8129.2172.7-67.3-174.871.500111.2V156 L235 P236 E237 S241V156-M239 HydrophobicContact CG2-CE 3.64Å; V156-M239 HydrophobicContact CG2-SD 3.69Å; L235-M239 HydrophobicContact CB-CB 4.29Å; P236-M239 HydrophobicContact CB-CG 4.37Å; P236-M239 HydrophobicContact CB-SD 3.95Å; P236-M239 HydrophobicContact CG-SD 3.72Å; P236-M239 WeakPolarHBondContact O-CB 3.33Å; P236-M239 PolarHBondContact O-N 3.38Å; P236-M239 VanDerWaalsContact O-N 3.12Å; E237-M239 VanDerWaalsContact C-N 3.33Å; M239-S241 PolarHBondContact O-N 2.93Å
240T85.8Confident93.1Very high88 Ų8849.5 Ų49.554%0.5429%0.294SS..PPolyproline II helixtrans-61.4128.1174.8-46.40000110.8R208R208-T240 PolarHBondContact NE-O 3.12Å; R208-T240 VanDerWaalsContact NE-O 3.16Å; R208-T240 PolarHBondContact NH2-O 3.1Å
241S88.2Confident92.9Very high30 Ų3047 Ų4721%0.2127%0.272CS..PPolyproline II helixtrans-102.7135.3168.6-174.30000108.9M239M239-S241 PolarHBondContact O-N 2.93Å
242P91.5Very high92.4Very high9 Ų943.7 Ų43.76%0.05826%0.261CS..PPolyproline II helixtrans-70157178.829.9-33.8000111.2L152 M207 V213 V244L152-P242 HydrophobicContact CD1-CG 4.1Å; L152-P242 HydrophobicContact CD2-CG 4.35Å; M207-P242 WeakPolarHBondContact O-CB 3.39Å; V213-P242 HydrophobicContact CG2-CB 3.96Å; V213-P242 HydrophobicContact CG2-CG 4.03Å; P242-V244 PolarHBondContact O-N 2.92Å
243H94.4Very high91.4Very high129 Ų12945.4 Ų45.460%0.59727%0.272SS*.PPolyproline II helixtrans-65.8125.8166.6-68.4-72.8000109.8G212 V213 F245G212-H243 CarbonylContact C-O 3.45Å; G212-H243 WeakPolarHBondContact CA-O 3.43Å; V213-H243 PolarHBondContact N-O 3.22Å; H243-F245 HydrophobicContact CB-CE2 3.78Å; H243-F245 HydrophobicContact CB-CZ 3.88Å
244V96.9Very high89.8Confident28 Ų2843.6 Ų43.617%0.1727%0.265CS..EExtended strand (participates in β ladder)trans-110.4127.8-178-178.50000110.8L148 V213 V215 L229 P242L148-V244 HydrophobicContact CD2-CG1 4.22Å; L148-V244 HydrophobicContact CD2-CG2 4.08Å; V213-V244 CarbonylContact O-C 3.56Å; V213-V244 WeakPolarHBondContact O-CA 3.4Å; V215-V244 HydrophobicContact CG2-CG1 3.67Å; L229-V244 HydrophobicContact CB-CG2 4.36Å; L229-V244 HydrophobicContact CD1-CG1 4.48Å; P242-V244 PolarHBondContact O-N 2.92Å
245F97.5Very high87.7Confident11 Ų1148.9 Ų48.95%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-11794.5179.4-55.3-82.3000110.4F138 V213 I214 V215 H243 I247 R461 L462 L465F138-F245 HydrophobicContact CD1-CE2 4.39Å; F138-F245 HydrophobicContact CE1-CE2 4.13Å; V213-F245 PolarHBondContact O-N 3.03Å; I214-F245 WeakPolarHBondContact CA-O 3.35Å; V215-F245 PolarHBondContact N-O 3.36Å; H243-F245 HydrophobicContact CB-CE2 3.78Å; H243-F245 HydrophobicContact CB-CZ 3.88Å; F245-I247 HydrophobicContact CB-CG2 4.3Å; F245-I247 PolarHBondContact O-N 3.31Å; F245-R461 HydrophobicContact CD1-CB 4.42Å; F245-R461 HydrophobicContact CE1-CB 4.09Å; F245-L462 HydrophobicContact CD1-CB 3.89Å; F245-L462 HydrophobicContact CD2-CD1 3.94Å; F245-L462 HydrophobicContact CE1-CB 4.29Å; F245-L462 HydrophobicContact CE2-CD1 4.13Å; F245-L462 HydrophobicContact CG-CB 4.09Å; F245-L462 HydrophobicContact CG-CD1 4.22Å; F245-L465 HydrophobicContact CE1-CD1 4.19Å; F245-L465 HydrophobicContact CE2-CD1 4.12Å; F245-L465 HydrophobicContact CZ-CD1 3.41Å; F245-L465 VanDerWaalsContact CZ-CD1 3.41Å
246C97.9Very high85.8Confident8 Ų851.6 Ų51.65%0.05433%0.332CS..EExtended strand (participates in β ladder)trans-81.6100.2176.3-61.50000110.4V215 T217 I226 A458V215-C246 WeakPolarHBondContact O-CA 3.39Å; T217-C246 HydrophobicContact CG2-CB 4Å; T217-C246 CarbonylContact O-C 3.18Å; T217-C246 VanDerWaalsContact O-C 3.29Å; T217-C246 WeakPolarHBondContact O-CB 3.47Å; I226-C246 HydrophobicContact CD1-CB 4.02Å; C246-A458 VanDerWaalsContact O-CB 3.26Å; C246-A458 WeakPolarHBondContact O-CB 3.42Å
247I97.3Very high84.4Confident5 Ų551.9 Ų51.93%0.02633%0.329CS..  trans-112.210.1-171.564.2166.7000113.6L22 L25 I214 V215 T217 F245 V250 A458 F459L22-I247 HydrophobicContact CD1-CD1 3.47Å; L22-I247 VanDerWaalsContact CD1-CD1 3.47Å; L25-I247 HydrophobicContact CD2-CD1 3.94Å; I214-I247 HydrophobicContact CG2-CD1 3.25Å; I214-I247 HydrophobicContact CG2-CG1 3.59Å; V215-I247 PolarHBondContact O-N 3.3Å; T217-I247 PolarHBondContact O-N 2.88Å; F245-I247 HydrophobicContact CB-CG2 4.3Å; F245-I247 PolarHBondContact O-N 3.31Å; I247-V250 HydrophobicContact CD1-CG2 4.45Å; I247-V250 HydrophobicContact CG1-CG2 4.3Å; I247-A458 HydrophobicContact CG2-CB 4.17Å; I247-F459 HydrophobicContact CG2-CB 3.97Å
248G96.2Very high83.3Confident0 Ų049.8 Ų49.80%032%0.316CS..  trans-80178.6-17400000114.5N216 T217 C218 S455N216-G248 WeakPolarHBondContact OD1-CA 3.34Å; T217-G248 WeakPolarHBondContact O-CA 3.15Å; T217-G248 PolarHBondContact O-N 2.67Å; C218-G248 WeakPolarHBondContact CB-O 3.48Å; G248-S455 VanDerWaalsContact O-CB 3.25Å; G248-S455 WeakPolarHBondContact O-CB 3.39Å; G248-S455 PolarHBondContact O-OG 3.15Å
249P95.8Very high82.8Confident1 Ų147.8 Ų47.81%0.00629%0.286CS..  cis-76.2126.9-8.5-21.136.5000112.7I221 I251 L370 A445 K449I221-P249 HydrophobicContact CD1-CG 3.81Å; P249-I251 HydrophobicContact CB-CG2 4.38Å; P249-L370 HydrophobicContact CB-CB 4.46Å; P249-L370 HydrophobicContact CB-CD1 4.44Å; P249-L370 HydrophobicContact CB-CD2 4.27Å; P249-L370 HydrophobicContact CG-CD2 4.32Å; P249-A445 HydrophobicContact CG-CB 4Å; P249-K449 WeakPolarHBondContact O-CD 3.19Å; P249-K449 PolarHBondContact O-NZ 3.43Å
250V94.2Very high82.1Confident9 Ų951.9 Ų51.96%0.05531%0.309CS..  trans-101.495.1170.5-170.80000107E21 L25 N216 I247E21-V250 HydrophobicContact CB-CG1 3.73Å; L25-V250 HydrophobicContact CD2-CG2 3.81Å; N216-V250 PolarHBondContact ND2-O 2.97Å; N216-V250 PolarHBondContact OD1-N 3.47Å; I247-V250 HydrophobicContact CD1-CG2 4.45Å; I247-V250 HydrophobicContact CG1-CG2 4.3Å
251I90.2Very high81.8Confident36 Ų3651.4 Ų51.419%0.18530%0.302CS..  trans-124.5155-17959.1171.1000109.4P249 L370 E371 C374P249-I251 HydrophobicContact CB-CG2 4.38Å; I251-L370 HydrophobicContact CG2-CB 3.8Å; I251-L370 HydrophobicContact CG2-CD1 4.49Å; I251-E371 HydrophobicContact CB-CG 4.49Å; I251-E371 HydrophobicContact CG2-CG 4.3Å; I251-C374 HydrophobicContact CD1-CB 3.67Å
252S83.1Confident81.9Confident36 Ų3651.4 Ų51.425%0.25231%0.307SS..  trans-70.3141.8179.4-157.20000111.2E21E21-S252 PolarHBondContact OE1-OG 3.33Å
253A71.8Confident81.9Confident68 Ų6851 Ų5156%0.56230%0.304SS*.  trans-68.7151.3176.500000111.4C255A253-C255 PolarHBondContact O-N 2.92Å
254T61.1Low81.9Confident55 Ų5545.7 Ų45.734%0.33728%0.281SS..SBendtrans-62.6-3.9179.846.60000115.1G256 V349 R350T254-G256 PolarHBondContact O-N 2.92Å; T254-V349 HydrophobicContact CG2-CG1 3.63Å; T254-R350 WeakPolarHBondContact O-CD 3.43Å
255C49.2Very low81.7Confident115 Ų11548.3 Ų48.378%0.77730%0.3SS*.THydrogen-bonded Turntrans-83.7120.3-167.8-84.70000113.4A253A253-C255 PolarHBondContact O-N 2.92Å
256G53.6Low81.6Confident70 Ų7049.7 Ų49.772%0.72231%0.305SS*.THydrogen-bonded Turntrans106.6-6.2160.300000116.1T254 K258T254-G256 PolarHBondContact O-N 2.92Å; G256-K258 PolarHBondContact O-N 3.37Å
257E63.5Low81.5Confident60 Ų6049.3 Ų49.328%0.2830%0.302SS..  trans-74.1111.2176.6-72.2-165161.300110.7W345 P347E257-W345 HydrophobicContact CB-CH2 4Å; E257-W345 HydrophobicContact CG-CH2 4.19Å; E257-W345 HydrophobicContact CG-CZ2 4.22Å; E257-P347 HydrophobicContact CB-CB 3.8Å; E257-P347 WeakPolarHBondContact OE2-CA 3.17Å; E257-P347 WeakPolarHBondContact OE2-CB 3.44Å
258K66.5Low81.4Confident161 Ų16154.6 Ų54.670%0.733%0.331SS*.  trans-71132.3178.3-67.4-175.3-179.7-179.20109.9G256 L260G256-K258 PolarHBondContact O-N 3.37Å; K258-L260 VanDerWaalsContact C-N 3.3Å; K258-L260 HydrophobicContact CB-CD2 4.08Å; K258-L260 HydrophobicContact CB-CG 4.31Å; K258-L260 PolarHBondContact O-N 3.38Å
259D74.3Confident81.4Confident40 Ų4058.5 Ų58.521%0.21436%0.358CS..  trans-75.985.8167.5-177.614.2000109.7N261 G262 C263 L264D259-N261 PolarHBondContact O-N 2.89Å; D259-N261 PolarHBondContact OD1-N 3.45Å; D259-G262 PolarHBondContact OD1-N 2.83Å; D259-G262 WeakPolarHBondContact OD2-CA 3.22Å; D259-C263 VanDerWaalsContact CG-N 3.31Å; D259-C263 PolarHBondContact OD1-N 3.29Å; D259-C263 PolarHBondContact OD1-SG 3.23Å; D259-C263 PolarHBondContact OD2-N 3.3Å; D259-L264 HydrophobicContact CB-CB 4.37Å; D259-L264 HydrophobicContact CB-CD1 3.94Å; D259-L264 HydrophobicContact CB-CG 3.99Å; D259-L264 WeakPolarHBondContact OD2-CB 3.49Å; D259-L264 PolarHBondContact OD2-N 3.36Å
260L74.4Confident81.5Confident131 Ų13159.5 Ų59.569%0.68636%0.362SS*.SBendtrans-71.8-18.9-178.9-64.1174.9000112.8K258K258-L260 VanDerWaalsContact C-N 3.3Å; K258-L260 HydrophobicContact CB-CD2 4.08Å; K258-L260 HydrophobicContact CB-CG 4.31Å; K258-L260 PolarHBondContact O-N 3.38Å
261N80.6Confident81.7Confident77 Ų7762.2 Ų62.241%0.41238%0.38SS..SBendtrans-114.71.2-169.3-62.8-51.3000113.3D259 C263 M340 V342 W345D259-N261 PolarHBondContact O-N 2.89Å; D259-N261 PolarHBondContact OD1-N 3.45Å; N261-C263 VanDerWaalsContact C-N 3.28Å; N261-C263 PolarHBondContact O-N 2.9Å; N261-M340 WeakPolarHBondContact O-CE 3.24Å; N261-V342 HydrophobicContact CB-CG1 3.82Å; N261-V342 HydrophobicContact CB-CG2 4.32Å; N261-V342 WeakPolarHBondContact ND2-CG1 3.39Å; N261-W345 PolarHBondContact ND2-O 3.33Å; N261-W345 VanDerWaalsContact ND2-O 3.14Å
262G89.6Confident82.1Confident30 Ų3063.6 Ų63.631%0.30939%0.393SS..SBendtrans71.320-177.900000114.1D259 W266D259-G262 PolarHBondContact OD1-N 2.83Å; D259-G262 WeakPolarHBondContact OD2-CA 3.22Å; G262-W266 PolarHBondContact O-N 2.99Å
263C92.4Very high82.8Confident0 Ų066.2 Ų66.20%040%0.401CS..Hα-helixtrans-70.8-31.7-176.5650000113.4D259 N261 W266 L267 L306 M340 V342D259-C263 VanDerWaalsContact CG-N 3.31Å; D259-C263 PolarHBondContact OD1-N 3.29Å; D259-C263 PolarHBondContact OD1-SG 3.23Å; D259-C263 PolarHBondContact OD2-N 3.3Å; N261-C263 VanDerWaalsContact C-N 3.28Å; N261-C263 PolarHBondContact O-N 2.9Å; C263-W266 PolarHBondContact O-N 3.34Å; C263-L267 VanDerWaalsContact O-CG 3.28Å; C263-L267 WeakPolarHBondContact O-CG 3.24Å; C263-L267 PolarHBondContact O-N 3.42Å; C263-L306 HydrophobicContact CB-CD1 4.13Å; C263-L306 HydrophobicContact CB-CD2 4.14Å; C263-M340 HydrophobicContact CB-CE 4.14Å; C263-M340 HydrophobicContact CB-SD 3.99Å; C263-V342 HydrophobicContact CB-CG2 4.17Å
264L93.1Very high84Confident19 Ų1963.8 Ų63.810%0.09938%0.38CS..Hα-helixtrans-71.1-45.8176-59.7-177000110.1D259 W266 L267 D268 P347 R350 I351D259-L264 HydrophobicContact CB-CB 4.37Å; D259-L264 HydrophobicContact CB-CD1 3.94Å; D259-L264 HydrophobicContact CB-CG 3.99Å; D259-L264 WeakPolarHBondContact OD2-CB 3.49Å; D259-L264 PolarHBondContact OD2-N 3.36Å; L264-W266 PolarHBondContact O-N 2.9Å; L264-L267 HydrophobicContact CD2-CD1 4.33Å; L264-L267 WeakPolarHBondContact O-CA 3.48Å; L264-L267 WeakPolarHBondContact O-CB 3.41Å; L264-L267 PolarHBondContact O-N 2.87Å; L264-D268 PolarHBondContact O-N 3.26Å; L264-P347 HydrophobicContact CD1-CG 4.49Å; L264-P347 HydrophobicContact CD2-CG 4.34Å; L264-P347 HydrophobicContact CG-CG 4.38Å; L264-R350 HydrophobicContact CD1-CB 4.25Å; L264-R350 HydrophobicContact CD2-CB 4.02Å; L264-I351 HydrophobicContact CD2-CG1 4.04Å
265S93.3Very high85.8Confident82 Ų8261.2 Ų61.257%0.57336%0.364SS*.Hα-helixtrans-60.9-33.7175.2-510000112.4
266W95.5Very high88.2Confident40 Ų4055.8 Ų55.815%0.15233%0.328CS..Hα-helixtrans-67.1-42.4173.1-178.985.8000111.6G262 C263 L264 D268 S269 Q270 V275 F305 L306 M340G262-W266 PolarHBondContact O-N 2.99Å; C263-W266 PolarHBondContact O-N 3.34Å; L264-W266 PolarHBondContact O-N 2.9Å; W266-D268 VanDerWaalsContact C-N 3.35Å; W266-D268 PolarHBondContact O-N 3.21Å; W266-S269 PolarHBondContact O-N 2.94Å; W266-S269 PolarHBondContact O-OG 2.84Å; W266-Q270 HydrophobicContact CD2-CG 4.34Å; W266-Q270 HydrophobicContact CE3-CG 4.14Å; W266-Q270 HydrophobicContact CH2-CG 3.99Å; W266-Q270 HydrophobicContact CZ2-CG 4.19Å; W266-Q270 HydrophobicContact CZ3-CG 3.96Å; W266-Q270 WeakPolarHBondContact O-CG 3.4Å; W266-Q270 PolarHBondContact O-NE2 3.26Å; W266-V275 HydrophobicContact CH2-CG1 4.18Å; W266-V275 HydrophobicContact CH2-CG2 4.22Å; W266-V275 HydrophobicContact CZ3-CG1 3.84Å; W266-V275 HydrophobicContact CZ3-CG2 4.07Å; W266-F305 VanDerWaalsContact CH2-O 3.31Å; W266-F305 WeakPolarHBondContact CH2-O 3Å; W266-L306 HydrophobicContact CZ3-CB 4.13Å; W266-M340 HydrophobicContact CB-SD 3.66Å; W266-M340 HydrophobicContact CD2-CB 3.86Å; W266-M340 HydrophobicContact CD2-SD 4.05Å; W266-M340 HydrophobicContact CE3-CB 4.13Å; W266-M340 HydrophobicContact CE3-SD 4.34Å; W266-M340 HydrophobicContact CG-CB 4.3Å; W266-M340 HydrophobicContact CG-SD 3.74Å; W266-M340 HydrophobicContact CH2-CB 4.41Å; W266-M340 HydrophobicContact CZ2-CB 4.16Å; W266-M340 HydrophobicContact CZ3-CB 4.39Å
267L96.6Very high90.3Very high0 Ų052.5 Ų52.50%029%0.294CS..Hα-helixtrans-63.4-36.6176.4-72.1168.1000112.8C263 L264 S269 Q270 V275 L306 I351 H354 S356 V357C263-L267 VanDerWaalsContact O-CG 3.28Å; C263-L267 WeakPolarHBondContact O-CG 3.24Å; C263-L267 PolarHBondContact O-N 3.42Å; L264-L267 HydrophobicContact CD2-CD1 4.33Å; L264-L267 WeakPolarHBondContact O-CA 3.48Å; L264-L267 WeakPolarHBondContact O-CB 3.41Å; L264-L267 PolarHBondContact O-N 2.87Å; L267-S269 PolarHBondContact O-N 2.8Å; L267-S269 VanDerWaalsContact O-N 3.16Å; L267-Q270 WeakPolarHBondContact O-CB 3.5Å; L267-Q270 PolarHBondContact O-N 3.07Å; L267-V275 HydrophobicContact CD2-CB 4.08Å; L267-V275 HydrophobicContact CD2-CG1 3.87Å; L267-V275 HydrophobicContact CD2-CG2 3.97Å; L267-L306 HydrophobicContact CD1-CD2 4.04Å; L267-L306 HydrophobicContact CD2-CD2 4.45Å; L267-L306 HydrophobicContact CG-CD2 4.35Å; L267-I351 HydrophobicContact CD1-CB 4.32Å; L267-I351 HydrophobicContact CD1-CG1 4.06Å; L267-I351 HydrophobicContact CD1-CG2 3.98Å; L267-H354 VanDerWaalsContact C-CE1 3.43Å; L267-H354 HydrophobicContact CD1-CB 4.18Å; L267-H354 PolarHBondContact O-CE1 2.83Å; L267-S356 WeakPolarHBondContact O-CB 3.36Å; L267-S356 PolarHBondContact O-OG 2.94Å; L267-V357 HydrophobicContact CD1-CG2 4.46Å; L267-V357 HydrophobicContact CD2-CG2 4.13Å
268D95.6Very high92Very high116 Ų11649.6 Ų49.662%0.6228%0.28SS*.Hα-helixtrans-56.8-28.6175.6-72.2-42.2000112.2L264 W266 H354L264-D268 PolarHBondContact O-N 3.26Å; W266-D268 VanDerWaalsContact C-N 3.35Å; W266-D268 PolarHBondContact O-N 3.21Å; D268-H354 IonicContact OD1-CE1 3.56Å; D268-H354 IonicContact OD1-NE2 3.5Å; D268-H354 PolarHBondContact OD1-NE2 3.3Å; D268-H354 VanDerWaalsContact OD1-NE2 3.13Å
269S95.9Very high93.4Very high82 Ų8242.3 Ų42.357%0.57325%0.25SC*.THydrogen-bonded Turntrans-87-3.4178.772.20000114.5W266 L267W266-S269 PolarHBondContact O-N 2.94Å; W266-S269 PolarHBondContact O-OG 2.84Å; L267-S269 PolarHBondContact O-N 2.8Å; L267-S269 VanDerWaalsContact O-N 3.16Å
270Q97.8Very high94.4Very high22 Ų2240.8 Ų40.810%0.10324%0.241CC..SBendtrans-96.2151.2-178.6-53.6-49.5-48.800111.8W266 L267 V275 S356W266-Q270 HydrophobicContact CD2-CG 4.34Å; W266-Q270 HydrophobicContact CE3-CG 4.14Å; W266-Q270 HydrophobicContact CH2-CG 3.99Å; W266-Q270 HydrophobicContact CZ2-CG 4.19Å; W266-Q270 HydrophobicContact CZ3-CG 3.96Å; W266-Q270 WeakPolarHBondContact O-CG 3.4Å; W266-Q270 PolarHBondContact O-NE2 3.26Å; L267-Q270 WeakPolarHBondContact O-CB 3.5Å; L267-Q270 PolarHBondContact O-N 3.07Å; Q270-V275 HydrophobicContact CB-CG2 3.65Å; Q270-V275 HydrophobicContact CG-CG2 3.69Å; Q270-S356 PolarHBondContact O-OG 3.13Å; Q270-S356 VanDerWaalsContact O-OG 3.11Å
271P97.9Very high95Very high66 Ų6635.4 Ų35.443%0.42922%0.217SC..PPolyproline II helixtrans-60.6152.5172-2131.6000112.8Q273 S274 S356P271-Q273 PolarHBondContact O-N 3.4Å; P271-S274 WeakPolarHBondContact CD-OG 3.33Å; P271-S274 WeakPolarHBondContact O-CB 3.31Å; P271-S274 PolarHBondContact O-N 3.46Å; P271-S274 PolarHBondContact O-OG 2.9Å; P271-S356 WeakPolarHBondContact O-CA 3.43Å
272S97.9Very high94.9Very high65 Ų6535.4 Ų35.446%0.45522%0.223SC..THydrogen-bonded Turntrans-51.2135.6173.1-171.70000111.8S274 D355S272-S274 PolarHBondContact O-N 3.5Å; S272-S274 VanDerWaalsContact O-N 3.08Å; S272-D355 WeakPolarHBondContact CB-OD2 3.48Å; S272-D355 VanDerWaalsContact OG-CG 3.24Å; S272-D355 PolarHBondContact OG-OD1 3.22Å; S272-D355 PolarHBondContact OG-OD2 3.05Å
273Q97.8Very high94.5Very high91 Ų9139 Ų3943%0.42523%0.234SC..THydrogen-bonded Turntrans49.134.3176.6-57.2-179.729.900115P271 D355 S356 G358 M426P271-Q273 PolarHBondContact O-N 3.4Å; Q273-D355 PolarHBondContact N-O 3.13Å; Q273-S356 CarbonylContact C-O 3.56Å; Q273-G358 VanDerWaalsContact C-CA 3.48Å; Q273-G358 WeakPolarHBondContact O-CA 3.4Å; Q273-M426 WeakPolarHBondContact O-CE 3.26Å
274S98.2Very high94.3Very high17 Ų1739.1 Ų39.112%0.11924%0.236CC..  trans-107.4-15.1-175.270.40000114.5P271 S272 R304 S356P271-S274 WeakPolarHBondContact CD-OG 3.33Å; P271-S274 WeakPolarHBondContact O-CB 3.31Å; P271-S274 PolarHBondContact O-N 3.46Å; P271-S274 PolarHBondContact O-OG 2.9Å; S272-S274 PolarHBondContact O-N 3.5Å; S272-S274 VanDerWaalsContact O-N 3.08Å; S274-R304 WeakPolarHBondContact O-CB 3.29Å; S274-R304 WeakPolarHBondContact OG-CD 3.41Å; S274-S356 PolarHBondContact N-O 3.4Å
275V98.7Very high94.1Very high1 Ų142.6 Ų42.61%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-100.8132.2-174.3-1780000111.1W266 L267 Q270 R304 L306 S356 V357 G358 G359W266-V275 HydrophobicContact CH2-CG1 4.18Å; W266-V275 HydrophobicContact CH2-CG2 4.22Å; W266-V275 HydrophobicContact CZ3-CG1 3.84Å; W266-V275 HydrophobicContact CZ3-CG2 4.07Å; L267-V275 HydrophobicContact CD2-CB 4.08Å; L267-V275 HydrophobicContact CD2-CG1 3.87Å; L267-V275 HydrophobicContact CD2-CG2 3.97Å; Q270-V275 HydrophobicContact CB-CG2 3.65Å; Q270-V275 HydrophobicContact CG-CG2 3.69Å; V275-R304 WeakPolarHBondContact CA-O 3.42Å; V275-R304 HydrophobicContact CB-CB 4.47Å; V275-R304 HydrophobicContact CG2-CB 3.97Å; V275-L306 HydrophobicContact CG1-CB 4.07Å; V275-S356 WeakPolarHBondContact CB-O 3.48Å; V275-S356 PolarHBondContact N-O 3.14Å; V275-V357 CarbonylContact O-C 3.53Å; V275-V357 WeakPolarHBondContact O-CA 3.27Å; V275-G358 PolarHBondContact O-N 2.92Å; V275-G359 PolarHBondContact O-N 2.69Å
276V98.8Very high94Very high1 Ų139.4 Ų39.41%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-94.7119.5168.2-177.30000110L278 R304 F305 L306 G359 V361 V422 M426V276-L278 HydrophobicContact CG1-CD1 4.22Å; V276-R304 PolarHBondContact N-O 2.71Å; V276-F305 CarbonylContact O-C 3.58Å; V276-F305 WeakPolarHBondContact O-CA 3.43Å; V276-L306 PolarHBondContact O-N 3.43Å; V276-G359 CarbonylContact C-O 3.6Å; V276-G359 WeakPolarHBondContact CA-O 3.47Å; V276-V361 HydrophobicContact CG1-CG2 3.74Å; V276-V422 HydrophobicContact CG2-CG1 4.2Å; V276-M426 HydrophobicContact CG2-CE 3.99Å; V276-M426 HydrophobicContact CG2-CG 3.53Å; V276-M426 HydrophobicContact CG2-SD 3.49Å; V276-M426 WeakPolarHBondContact CG2-SD 3.22Å
277L98.6Very high93.8Very high1 Ų139.5 Ų39.51%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-76137.1168.5174.661.8000109.4L306 V308 Q348 I351 L352 G359 F360 V361L277-L306 CarbonylContact C-O 3.45Å; L277-L306 WeakPolarHBondContact CA-O 3.39Å; L277-L306 HydrophobicContact CD1-CB 4.47Å; L277-L306 HydrophobicContact CD1-CD2 4.36Å; L277-L306 HydrophobicContact CD1-CG 4.26Å; L277-L306 WeakPolarHBondContact CD1-O 3.28Å; L277-V308 HydrophobicContact CD1-CG2 4.22Å; L277-Q348 HydrophobicContact CD2-CG 4.26Å; L277-I351 HydrophobicContact CB-CG2 4.4Å; L277-I351 HydrophobicContact CD1-CG2 4Å; L277-I351 HydrophobicContact CD2-CG2 3.84Å; L277-I351 HydrophobicContact CG-CG2 4.29Å; L277-L352 HydrophobicContact CD2-CD2 3.84Å; L277-L352 HydrophobicContact CD2-CG 4.08Å; L277-G359 PolarHBondContact N-O 2.87Å; L277-F360 HydrophobicContact CB-CD2 3.98Å; L277-F360 HydrophobicContact CD2-CD2 3.78Å; L277-F360 HydrophobicContact CD2-CE2 3.81Å; L277-F360 HydrophobicContact CD2-CG 4.43Å; L277-F360 HydrophobicContact CD2-CZ 4.42Å; L277-F360 HydrophobicContact CG-CD2 3.76Å; L277-F360 HydrophobicContact CG-CE2 3.96Å; L277-F360 CarbonylContact O-C 3.58Å; L277-F360 WeakPolarHBondContact O-CA 3.1Å; L277-V361 PolarHBondContact O-N 3.29Å
278L98.4Very high93.6Very high0 Ų044.6 Ų44.60%025%0.25CS..EExtended strand (participates in β ladder)trans-119.5114.1165.3-66.493.1000108.8V276 F280 L298 F305 L306 W307 V308 V361 L418V276-L278 HydrophobicContact CG1-CD1 4.22Å; L278-F280 HydrophobicContact CB-CE2 4.16Å; L278-L298 HydrophobicContact CD1-CD1 4.19Å; L278-L298 HydrophobicContact CD1-CD2 3.56Å; L278-L298 HydrophobicContact CD2-CD1 4.13Å; L278-L298 HydrophobicContact CD2-CD2 3.88Å; L278-L298 HydrophobicContact CD2-CG 4.38Å; L278-L298 HydrophobicContact CG-CD2 4.37Å; L278-F305 HydrophobicContact CD1-CB 3.98Å; L278-L306 PolarHBondContact N-O 3.37Å; L278-W307 HydrophobicContact CB-CB 4.27Å; L278-W307 HydrophobicContact CB-CG 4.16Å; L278-V308 PolarHBondContact O-N 2.88Å; L278-V361 HydrophobicContact CB-CB 4.43Å; L278-V361 HydrophobicContact CD1-CG2 4.46Å; L278-V361 HydrophobicContact CD2-CB 3.96Å; L278-V361 HydrophobicContact CD2-CG1 4.28Å; L278-V361 HydrophobicContact CD2-CG2 3.9Å; L278-V361 HydrophobicContact CG-CB 3.77Å; L278-V361 HydrophobicContact CG-CG2 3.74Å; L278-L418 HydrophobicContact CD2-CD2 4.44Å
279S96.1Very high93.5Very high8 Ų841.8 Ų41.86%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-148.9128.6178177.20000110.4Q348 V361S279-Q348 VanDerWaalsContact CB-OE1 3.25Å; S279-Q348 PolarHBondContact OG-OE1 2.89Å; S279-V361 PolarHBondContact N-O 2.86Å
280F95.1Very high93.5Very high8 Ų838.3 Ų38.34%0.03522%0.217CC..  trans-114.329.7-171.8-58.9-91.8000112.1L278 G284 F286 M294 V361 H363 W382 L384L278-F280 HydrophobicContact CB-CE2 4.16Å; F280-G284 VanDerWaalsContact O-CA 3.22Å; F280-G284 WeakPolarHBondContact O-CA 3.31Å; F280-G284 PolarHBondContact O-N 3.14Å; F280-F286 HydrophobicContact CB-CE2 4.07Å; F280-F286 HydrophobicContact CB-CZ 4.45Å; F280-F286 AromaticContact CD1-CE2 3.79Å; F280-F286 HydrophobicContact CD1-CE2 3.79Å; F280-F286 AromaticContact CD1-CZ 3.51Å; F280-F286 HydrophobicContact CD1-CZ 3.51Å; F280-F286 AromaticContact CD2-CE2 3.47Å; F280-F286 HydrophobicContact CD2-CE2 3.47Å; F280-F286 VanDerWaalsContact CD2-CE2 3.47Å; F280-F286 HydrophobicContact CD2-CZ 4.06Å; F280-F286 HydrophobicContact CE1-CE2 4.02Å; F280-F286 AromaticContact CE1-CZ 3.57Å; F280-F286 HydrophobicContact CE1-CZ 3.57Å; F280-F286 AromaticContact CE2-CE2 3.71Å; F280-F286 HydrophobicContact CE2-CE2 3.71Å; F280-F286 HydrophobicContact CE2-CZ 4.11Å; F280-F286 AromaticContact CG-CE2 3.5Å; F280-F286 HydrophobicContact CG-CE2 3.5Å; F280-F286 VanDerWaalsContact CG-CE2 3.5Å; F280-F286 AromaticContact CG-CZ 3.75Å; F280-F286 HydrophobicContact CG-CZ 3.75Å; F280-F286 AromaticContact CZ-CE2 3.97Å; F280-F286 HydrophobicContact CZ-CE2 3.97Å; F280-F286 AromaticContact CZ-CZ 3.87Å; F280-F286 HydrophobicContact CZ-CZ 3.87Å; F280-M294 HydrophobicContact CD2-CE 4.45Å; F280-M294 HydrophobicContact CE2-CE 3.44Å; F280-M294 VanDerWaalsContact CE2-CE 3.44Å; F280-M294 HydrophobicContact CZ-CE 3.65Å; F280-V361 HydrophobicContact CE1-CG1 4.27Å; F280-V361 HydrophobicContact CZ-CG1 4.01Å; F280-H363 HydrophobicContact CB-CB 4.14Å; F280-H363 HydrophobicContact CD1-CB 4.1Å; F280-H363 PolarHBondContact O-CD2 2.88Å; F280-H363 VanDerWaalsContact O-CD2 3.31Å; F280-W382 HydrophobicContact CE1-CB 4.13Å; F280-W382 AromaticContact CE1-CD2 3.99Å; F280-W382 HydrophobicContact CE1-CD2 3.99Å; F280-W382 HydrophobicContact CE1-CE3 4.03Å; F280-W382 HydrophobicContact CE1-CG 4.05Å; F280-W382 HydrophobicContact CZ-CD2 4.41Å; F280-W382 HydrophobicContact CZ-CE3 4.02Å; F280-W382 HydrophobicContact CZ-CZ3 4.4Å; F280-L384 HydrophobicContact CB-CD1 3.97Å; F280-L384 HydrophobicContact CD1-CD1 4.13Å; F280-L384 HydrophobicContact CG-CD1 4.42Å
281G86.3Confident93.4Very high18 Ų1837.2 Ų37.219%0.18621%0.213CC..THydrogen-bonded Turntrans72.8-164.5178.400000113.9R310G281-R310 PolarHBondContact O-NE 3.08Å
282S79.7Confident93.3Very high76 Ų7639.2 Ų39.253%0.53121%0.214SC..THydrogen-bonded Turntrans-82.1-24-176.956.40000113.7
283L81.6Confident93.3Very high105 Ų10539 Ų3955%0.5521%0.206SC..THydrogen-bonded Turntrans-108.6-18-176-59.8178.3000113.5R285 Y385L283-R285 PolarHBondContact O-N 2.91Å; L283-R285 PolarHBondContact O-NH1 3.45Å; L283-Y385 HydrophobicContact CB-CE1 3.96Å; L283-Y385 HydrophobicContact CD1-CE2 4.45Å
284G87.5Confident93.3Very high4 Ų434.7 Ų34.74%0.04119%0.186CC..  trans-61.4120.517800000111.2F280 R310F280-G284 VanDerWaalsContact O-CA 3.22Å; F280-G284 WeakPolarHBondContact O-CA 3.31Å; F280-G284 PolarHBondContact O-N 3.14Å; G284-R310 WeakPolarHBondContact O-CB 3.31Å
285R89.4Confident93.3Very high92 Ų9233.9 Ų33.935%0.34718%0.18SC..  trans-137.1150.8176.7-67-179-177.783.6-5.4108.1L283 R310 E312L283-R285 PolarHBondContact O-N 2.91Å; L283-R285 PolarHBondContact O-NH1 3.45Å; R285-R310 HydrophobicContact CG-CB 4.26Å; R285-E312 HydrophobicContact CB-CG 4.11Å
286F91.4Very high93.3Very high15 Ų1535.8 Ų35.87%0.06619%0.192CC..BIsolated β-bridgetrans-125.6147.8-179.9-65.9-75.9000110.9F280 Q290 V291 M294 E312 W382 L384F280-F286 HydrophobicContact CB-CE2 4.07Å; F280-F286 HydrophobicContact CB-CZ 4.45Å; F280-F286 AromaticContact CD1-CE2 3.79Å; F280-F286 HydrophobicContact CD1-CE2 3.79Å; F280-F286 AromaticContact CD1-CZ 3.51Å; F280-F286 HydrophobicContact CD1-CZ 3.51Å; F280-F286 AromaticContact CD2-CE2 3.47Å; F280-F286 HydrophobicContact CD2-CE2 3.47Å; F280-F286 VanDerWaalsContact CD2-CE2 3.47Å; F280-F286 HydrophobicContact CD2-CZ 4.06Å; F280-F286 HydrophobicContact CE1-CE2 4.02Å; F280-F286 AromaticContact CE1-CZ 3.57Å; F280-F286 HydrophobicContact CE1-CZ 3.57Å; F280-F286 AromaticContact CE2-CE2 3.71Å; F280-F286 HydrophobicContact CE2-CE2 3.71Å; F280-F286 HydrophobicContact CE2-CZ 4.11Å; F280-F286 AromaticContact CG-CE2 3.5Å; F280-F286 HydrophobicContact CG-CE2 3.5Å; F280-F286 VanDerWaalsContact CG-CE2 3.5Å; F280-F286 AromaticContact CG-CZ 3.75Å; F280-F286 HydrophobicContact CG-CZ 3.75Å; F280-F286 AromaticContact CZ-CE2 3.97Å; F280-F286 HydrophobicContact CZ-CE2 3.97Å; F280-F286 AromaticContact CZ-CZ 3.87Å; F280-F286 HydrophobicContact CZ-CZ 3.87Å; F286-Q290 HydrophobicContact CB-CB 4.15Å; F286-Q290 HydrophobicContact CB-CG 4.13Å; F286-Q290 HydrophobicContact CD1-CB 4.32Å; F286-Q290 HydrophobicContact CD1-CG 3.51Å; F286-Q290 HydrophobicContact CE1-CG 4.2Å; F286-Q290 HydrophobicContact CG-CG 4.09Å; F286-V291 HydrophobicContact CB-CG2 3.79Å; F286-M294 HydrophobicContact CD1-SD 4.31Å; F286-M294 HydrophobicContact CD2-CE 4.19Å; F286-M294 HydrophobicContact CD2-SD 3.86Å; F286-M294 HydrophobicContact CE1-SD 4.47Å; F286-M294 HydrophobicContact CE2-CE 3.96Å; F286-M294 HydrophobicContact CE2-SD 4.07Å; F286-M294 HydrophobicContact CG-SD 3.97Å; F286-M294 HydrophobicContact CZ-CE 4.38Å; F286-M294 HydrophobicContact CZ-SD 4.36Å; F286-E312 PolarHBondContact O-N 3Å; F286-W382 HydrophobicContact CE1-CZ2 4.18Å; F286-L384 HydrophobicContact CE1-CD1 4.36Å; F286-L384 HydrophobicContact CE1-CD2 3.63Å; F286-L384 HydrophobicContact CE2-CD1 4.49Å; F286-L384 HydrophobicContact CZ-CD1 3.93Å; F286-L384 HydrophobicContact CZ-CD2 3.86Å
287S91.4Very high93.3Very high42 Ų4235.7 Ų35.729%0.29419%0.191SC..  trans-62156.4170.274.50000110.7A289 Q290 V291S287-A289 PolarHBondContact O-N 3.4Å; S287-Q290 PolarHBondContact O-N 3.27Å; S287-Q290 VanDerWaalsContact O-N 3.12Å; S287-Q290 PolarHBondContact OG-N 2.83Å; S287-V291 WeakPolarHBondContact O-CG2 3.38Å; S287-V291 PolarHBondContact O-N 2.78Å
288R91.9Very high93.3Very high107 Ų10735.7 Ų35.740%0.40419%0.191SC..Hα-helixtrans-55.8-36.2176.4-70.8-173.6178.2-111.17.9112.3K292 E325 L326R288-K292 WeakPolarHBondContact O-CG 3.1Å; R288-K292 PolarHBondContact O-N 2.77Å; R288-K292 VanDerWaalsContact O-N 3.13Å; R288-E325 PolarHBondContact NH1-O 3.4Å; R288-E325 IonicContact NH2-OE2 2.73Å; R288-L326 HydrophobicContact CG-CD2 4.13Å
289A93.4Very high93.3Very high57 Ų5737.7 Ų37.747%0.47120%0.201SC..Hα-helixtrans-64-47.3177.500000111.5S287 V291 K292 E293 F412S287-A289 PolarHBondContact O-N 3.4Å; A289-V291 PolarHBondContact O-N 2.87Å; A289-K292 PolarHBondContact O-N 3.45Å; A289-E293 PolarHBondContact O-N 3.33Å; A289-F412 HydrophobicContact CB-CE2 4.32Å
290Q95.9Very high93.4Very high8 Ų843 Ų434%0.03722%0.223CC..Hα-helixtrans-66.2-38.6179.1-175.760.97600112.1F286 S287 K292 E293 M294 W382 F412 V413F286-Q290 HydrophobicContact CB-CB 4.15Å; F286-Q290 HydrophobicContact CB-CG 4.13Å; F286-Q290 HydrophobicContact CD1-CB 4.32Å; F286-Q290 HydrophobicContact CD1-CG 3.51Å; F286-Q290 HydrophobicContact CE1-CG 4.2Å; F286-Q290 HydrophobicContact CG-CG 4.09Å; S287-Q290 PolarHBondContact O-N 3.27Å; S287-Q290 VanDerWaalsContact O-N 3.12Å; S287-Q290 PolarHBondContact OG-N 2.83Å; Q290-K292 VanDerWaalsContact C-N 3.31Å; Q290-K292 PolarHBondContact O-N 2.73Å; Q290-E293 PolarHBondContact O-N 3.49Å; Q290-M294 HydrophobicContact CG-CG 4.49Å; Q290-M294 HydrophobicContact CG-SD 4.19Å; Q290-M294 VanDerWaalsContact O-CG 3.22Å; Q290-M294 WeakPolarHBondContact O-CG 3.34Å; Q290-M294 PolarHBondContact O-N 2.72Å; Q290-W382 HydrophobicContact CG-CZ2 4.42Å; Q290-F412 HydrophobicContact CB-CD2 4.45Å; Q290-F412 HydrophobicContact CB-CE2 4.32Å; Q290-F412 VanDerWaalsContact OE1-CD2 3.29Å; Q290-V413 PolarHBondContact NE2-O 3.38Å
291V96Very high93.5Very high0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-59.9-41174.8172.80000111.3F286 S287 A289 M294 A295 W307 L309 L326 L327F286-V291 HydrophobicContact CB-CG2 3.79Å; S287-V291 WeakPolarHBondContact O-CG2 3.38Å; S287-V291 PolarHBondContact O-N 2.78Å; A289-V291 PolarHBondContact O-N 2.87Å; V291-M294 PolarHBondContact O-N 3.23Å; V291-A295 PolarHBondContact O-N 3.42Å; V291-W307 HydrophobicContact CG1-CH2 3.84Å; V291-W307 HydrophobicContact CG1-CZ2 4.29Å; V291-L309 HydrophobicContact CG1-CD1 4.06Å; V291-L309 HydrophobicContact CG1-CD2 4.19Å; V291-L309 HydrophobicContact CG2-CD1 3.88Å; V291-L326 HydrophobicContact CG1-CB 4.3Å; V291-L327 HydrophobicContact CG1-CD2 4.15Å
292K96Very high94Very high108 Ų10848.4 Ų48.447%0.4724%0.243SC..Hα-helixtrans-63.4-45176.3-74.4178.2178.1-175.10112.1R288 A289 Q290 A295 V296R288-K292 WeakPolarHBondContact O-CG 3.1Å; R288-K292 PolarHBondContact O-N 2.77Å; R288-K292 VanDerWaalsContact O-N 3.13Å; A289-K292 PolarHBondContact O-N 3.45Å; Q290-K292 VanDerWaalsContact C-N 3.31Å; Q290-K292 PolarHBondContact O-N 2.73Å; K292-A295 PolarHBondContact O-N 2.96Å; K292-V296 WeakPolarHBondContact O-CG2 3.44Å; K292-V296 PolarHBondContact O-N 2.88Å
293E97.6Very high94.9Very high61 Ų6146.1 Ų46.129%0.28522%0.224SC..Hα-helixtrans-64.4-39.7176.3-78.5-54.2116.100112.5A289 Q290 A295 V296 G297 F412 G415A289-E293 PolarHBondContact O-N 3.33Å; Q290-E293 PolarHBondContact O-N 3.49Å; E293-A295 VanDerWaalsContact C-N 3.33Å; E293-A295 PolarHBondContact O-N 3.19Å; E293-V296 PolarHBondContact O-N 3.22Å; E293-G297 PolarHBondContact O-N 3.29Å; E293-F412 HydrophobicContact CB-CZ 4.22Å; E293-F412 HydrophobicContact CG-CE1 3.92Å; E293-F412 HydrophobicContact CG-CE2 4.35Å; E293-F412 HydrophobicContact CG-CZ 3.4Å; E293-F412 VanDerWaalsContact CG-CZ 3.4Å; E293-G415 WeakPolarHBondContact O-CA 3.12Å; E293-G415 WeakPolarHBondContact OE2-CA 3.46Å; E293-G415 PolarHBondContact OE2-N 3.02Å
294M98.2Very high95.7Very high0 Ų045.3 Ų45.30%021%0.214CC..Hα-helixtrans-58.8-46.5174.4-70.6168.776.800111.2F280 F286 Q290 V291 G297 L298 W307 W382 L418F280-M294 HydrophobicContact CD2-CE 4.45Å; F280-M294 HydrophobicContact CE2-CE 3.44Å; F280-M294 VanDerWaalsContact CE2-CE 3.44Å; F280-M294 HydrophobicContact CZ-CE 3.65Å; F286-M294 HydrophobicContact CD1-SD 4.31Å; F286-M294 HydrophobicContact CD2-CE 4.19Å; F286-M294 HydrophobicContact CD2-SD 3.86Å; F286-M294 HydrophobicContact CE1-SD 4.47Å; F286-M294 HydrophobicContact CE2-CE 3.96Å; F286-M294 HydrophobicContact CE2-SD 4.07Å; F286-M294 HydrophobicContact CG-SD 3.97Å; F286-M294 HydrophobicContact CZ-CE 4.38Å; F286-M294 HydrophobicContact CZ-SD 4.36Å; Q290-M294 HydrophobicContact CG-CG 4.49Å; Q290-M294 HydrophobicContact CG-SD 4.19Å; Q290-M294 VanDerWaalsContact O-CG 3.22Å; Q290-M294 WeakPolarHBondContact O-CG 3.34Å; Q290-M294 PolarHBondContact O-N 2.72Å; V291-M294 PolarHBondContact O-N 3.23Å; M294-G297 PolarHBondContact O-N 2.87Å; M294-L298 WeakPolarHBondContact O-CB 3.34Å; M294-L298 VanDerWaalsContact O-CG 3.27Å; M294-L298 WeakPolarHBondContact O-CG 3.41Å; M294-L298 PolarHBondContact O-N 3.42Å; M294-W307 HydrophobicContact CB-CH2 3.67Å; M294-W307 HydrophobicContact CB-CZ2 3.84Å; M294-W307 HydrophobicContact CB-CZ3 4.44Å; M294-W307 HydrophobicContact CE-CH2 4.5Å; M294-W307 HydrophobicContact CE-CZ2 3.53Å; M294-W307 HydrophobicContact CG-CZ2 4.49Å; M294-W307 HydrophobicContact SD-CZ2 3.85Å; M294-W382 HydrophobicContact CE-CZ3 4.48Å; M294-W382 HydrophobicContact CG-CH2 3.69Å; M294-W382 HydrophobicContact CG-CZ3 4.19Å; M294-W382 HydrophobicContact SD-CH2 4.22Å; M294-L418 HydrophobicContact CB-CD2 4.06Å; M294-L418 HydrophobicContact CG-CD2 4.15Å
295A98Very high96.3Very high0 Ų045.1 Ų45.10%021%0.212CC..Hα-helixtrans-59.9-47.8176.600000111.5V291 K292 E293 G297 L298 E299 W307 L327 P328 F331V291-A295 PolarHBondContact O-N 3.42Å; K292-A295 PolarHBondContact O-N 2.96Å; E293-A295 VanDerWaalsContact C-N 3.33Å; E293-A295 PolarHBondContact O-N 3.19Å; A295-G297 VanDerWaalsContact C-N 3.33Å; A295-G297 PolarHBondContact O-N 3.11Å; A295-L298 PolarHBondContact O-N 3.33Å; A295-E299 WeakPolarHBondContact O-CB 3.36Å; A295-E299 PolarHBondContact O-N 2.69Å; A295-W307 HydrophobicContact CB-CH2 4.47Å; A295-W307 HydrophobicContact CB-CZ3 4.08Å; A295-L327 HydrophobicContact CB-CD2 4.06Å; A295-P328 VanDerWaalsContact CB-CD 3.41Å; A295-P328 HydrophobicContact CB-CG 3.85Å; A295-F331 HydrophobicContact CB-CD2 3.88Å; A295-F331 HydrophobicContact CB-CE2 3.71Å; A295-F331 HydrophobicContact CB-CG 4.39Å; A295-F331 HydrophobicContact CB-CZ 4.06Å; A295-F331 VanDerWaalsContact O-CE2 3.23Å; A295-F331 WeakPolarHBondContact O-CE2 3.44Å
296V98Very high96.7Very high40 Ų4040.8 Ų40.824%0.24220%0.196CC..Hα-helixtrans-59.8-43.4177.3171.40000111.6K292 E293 K300 P328K292-V296 WeakPolarHBondContact O-CG2 3.44Å; K292-V296 PolarHBondContact O-N 2.88Å; E293-V296 PolarHBondContact O-N 3.22Å; V296-K300 HydrophobicContact CG1-CD 3.93Å; V296-K300 WeakPolarHBondContact O-CB 3.44Å; V296-K300 WeakPolarHBondContact O-CG 3.41Å; V296-K300 PolarHBondContact O-N 2.84Å; V296-P328 HydrophobicContact CG2-CG 4.41Å
297G98.5Very high97Very high0 Ų040.1 Ų40.10%019%0.193CC..Hα-helixtrans-64.3-45.5178.800000112.9E293 M294 A295 K300 S301 G415E293-G297 PolarHBondContact O-N 3.29Å; M294-G297 PolarHBondContact O-N 2.87Å; A295-G297 VanDerWaalsContact C-N 3.33Å; A295-G297 PolarHBondContact O-N 3.11Å; G297-K300 PolarHBondContact O-N 2.88Å; G297-S301 WeakPolarHBondContact O-CB 3.43Å; G297-S301 PolarHBondContact O-N 3.43Å; G297-G415 WeakPolarHBondContact CA-O 3.28Å
298L98.6Very high97.1Very high1 Ų138.7 Ų38.71%0.00518%0.182CC..Hα-helixtrans-62.5-46.9176-71172.8000111.8L278 M294 A295 K300 S301 F305 W307 L418L278-L298 HydrophobicContact CD1-CD1 4.19Å; L278-L298 HydrophobicContact CD1-CD2 3.56Å; L278-L298 HydrophobicContact CD2-CD1 4.13Å; L278-L298 HydrophobicContact CD2-CD2 3.88Å; L278-L298 HydrophobicContact CD2-CG 4.38Å; L278-L298 HydrophobicContact CG-CD2 4.37Å; M294-L298 WeakPolarHBondContact O-CB 3.34Å; M294-L298 VanDerWaalsContact O-CG 3.27Å; M294-L298 WeakPolarHBondContact O-CG 3.41Å; M294-L298 PolarHBondContact O-N 3.42Å; A295-L298 PolarHBondContact O-N 3.33Å; L298-K300 VanDerWaalsContact C-N 3.34Å; L298-K300 PolarHBondContact O-N 2.73Å; L298-S301 PolarHBondContact O-N 3.08Å; L298-S301 PolarHBondContact O-OG 3.02Å; L298-F305 HydrophobicContact CB-CD1 4.04Å; L298-F305 HydrophobicContact CB-CE1 3.99Å; L298-F305 HydrophobicContact CB-CG 4.41Å; L298-F305 HydrophobicContact CB-CZ 4.31Å; L298-F305 HydrophobicContact CD1-CD2 4.02Å; L298-F305 HydrophobicContact CD1-CE2 4.22Å; L298-F305 HydrophobicContact CD1-CG 4.29Å; L298-F305 HydrophobicContact CD2-CB 4.13Å; L298-F305 HydrophobicContact CD2-CD1 4.38Å; L298-F305 HydrophobicContact CD2-CG 4.16Å; L298-W307 HydrophobicContact CD1-CB 4.49Å; L298-W307 HydrophobicContact CD1-CD2 4.02Å; L298-W307 HydrophobicContact CD1-CE3 3.6Å; L298-W307 HydrophobicContact CD1-CG 4.43Å; L298-W307 HydrophobicContact CD1-CZ3 4.08Å; L298-L418 HydrophobicContact CD2-CD2 4.46Å; L298-L418 HydrophobicContact CG-CD2 4.18Å
299E98.1Very high97.2Very high42 Ų4233.6 Ų33.620%0.19616%0.163CC..Hα-helixtrans-58.4-46.5178.6-176.4173.3176.800111.5A295 S301 F331 R334 T335A295-E299 WeakPolarHBondContact O-CB 3.36Å; A295-E299 PolarHBondContact O-N 2.69Å; E299-S301 VanDerWaalsContact C-N 3.32Å; E299-S301 PolarHBondContact O-N 3.15Å; E299-F331 HydrophobicContact CB-CD2 4.36Å; E299-F331 HydrophobicContact CB-CE2 4.03Å; E299-R334 WeakPolarHBondContact OE1-CD 3.19Å; E299-R334 IonicContact OE1-CZ 3.78Å; E299-R334 IonicContact OE1-NE 3.89Å; E299-R334 PolarHBondContact OE1-NE 2.91Å; E299-R334 IonicContact OE1-NH2 3.29Å; E299-R334 IonicContact OE2-CZ 3.69Å; E299-R334 IonicContact OE2-NE 3.68Å; E299-R334 PolarHBondContact OE2-NE 2.89Å; E299-R334 IonicContact OE2-NH2 2.74Å; E299-R334 PolarHBondContact OE2-NH2 2.78Å; E299-T335 HydrophobicContact CB-CG2 4.4Å; E299-T335 HydrophobicContact CG-CG2 4.29Å
300K98.1Very high96.8Very high120 Ų12033.3 Ų33.352%0.52215%0.15SC..Hα-helixtrans-75.9-14.6180-71.2-178.7176.61770114.2V296 G297 L298 E302 R419V296-K300 HydrophobicContact CG1-CD 3.93Å; V296-K300 WeakPolarHBondContact O-CB 3.44Å; V296-K300 WeakPolarHBondContact O-CG 3.41Å; V296-K300 PolarHBondContact O-N 2.84Å; G297-K300 PolarHBondContact O-N 2.88Å; L298-K300 VanDerWaalsContact C-N 3.34Å; L298-K300 PolarHBondContact O-N 2.73Å; K300-E302 PolarHBondContact O-N 3.11Å; K300-R419 HydrophobicContact CB-CG 4.2Å
301S98.2Very high96Very high1 Ų133.2 Ų33.21%0.00715%0.15CC..Hα-helixtrans-70.5-23.7176.375.70000111.8G297 L298 E299 Q303 R423G297-S301 WeakPolarHBondContact O-CB 3.43Å; G297-S301 PolarHBondContact O-N 3.43Å; L298-S301 PolarHBondContact O-N 3.08Å; L298-S301 PolarHBondContact O-OG 3.02Å; E299-S301 VanDerWaalsContact C-N 3.32Å; E299-S301 PolarHBondContact O-N 3.15Å; S301-Q303 PolarHBondContact O-N 3.45Å; S301-Q303 PolarHBondContact OG-N 3.25Å; S301-R423 WeakPolarHBondContact O-CG 3.49Å
302E97.5Very high95Very high137 Ų13738 Ų3864%0.6417%0.172SC*.  trans59.53.2-172.9-55.6-177.6125.800114.2K300 R423K300-E302 PolarHBondContact O-N 3.11Å; E302-R423 IonicContact OE2-NH1 2.92Å
303Q98.4Very high93.5Very high28 Ų2836.8 Ų36.813%0.13117%0.171CC..  trans-76.6156.8174.5-64.1-60.1-29.900111S301 V422 M426 D427S301-Q303 PolarHBondContact O-N 3.45Å; S301-Q303 PolarHBondContact OG-N 3.25Å; Q303-V422 HydrophobicContact CB-CG1 3.86Å; Q303-V422 HydrophobicContact CG-CG1 3.73Å; Q303-M426 HydrophobicContact CG-CB 4.3Å; Q303-M426 HydrophobicContact CG-CG 4.26Å; Q303-D427 PolarHBondContact NE2-OD1 3.3Å; Q303-D427 PolarHBondContact NE2-OD2 3.39Å
304R98.7Very high91.3Very high88 Ų8839.1 Ų39.133%0.33219%0.189SC..EExtended strand (participates in β ladder)trans-77.7142.9170-66.2169.1169.774.82.5109.6S274 V275 V276 R338S274-R304 WeakPolarHBondContact O-CB 3.29Å; S274-R304 WeakPolarHBondContact OG-CD 3.41Å; V275-R304 WeakPolarHBondContact CA-O 3.42Å; V275-R304 HydrophobicContact CB-CB 4.47Å; V275-R304 HydrophobicContact CG2-CB 3.97Å; V276-R304 PolarHBondContact N-O 2.71Å; R304-R338 CarbonylContact C-O 3.59Å; R304-R338 WeakPolarHBondContact CA-O 3.33Å; R304-R338 WeakPolarHBondContact CB-O 3.44Å; R304-R338 HydrophobicContact CG-CB 3.91Å
305F98.7Very high89Confident1 Ų141.5 Ų41.50%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-143.6146.6-178.564.1-93.5000113.4W266 V276 L278 L298 W307 F331 T335 R338 G339 M340 V341W266-F305 VanDerWaalsContact CH2-O 3.31Å; W266-F305 WeakPolarHBondContact CH2-O 3Å; V276-F305 CarbonylContact O-C 3.58Å; V276-F305 WeakPolarHBondContact O-CA 3.43Å; L278-F305 HydrophobicContact CD1-CB 3.98Å; L298-F305 HydrophobicContact CB-CD1 4.04Å; L298-F305 HydrophobicContact CB-CE1 3.99Å; L298-F305 HydrophobicContact CB-CG 4.41Å; L298-F305 HydrophobicContact CB-CZ 4.31Å; L298-F305 HydrophobicContact CD1-CD2 4.02Å; L298-F305 HydrophobicContact CD1-CE2 4.22Å; L298-F305 HydrophobicContact CD1-CG 4.29Å; L298-F305 HydrophobicContact CD2-CB 4.13Å; L298-F305 HydrophobicContact CD2-CD1 4.38Å; L298-F305 HydrophobicContact CD2-CG 4.16Å; F305-W307 HydrophobicContact CD2-CB 4.19Å; F305-F331 HydrophobicContact CE1-CZ 4.49Å; F305-F331 HydrophobicContact CE2-CE1 4.34Å; F305-F331 AromaticContact CE2-CZ 3.98Å; F305-F331 HydrophobicContact CE2-CZ 3.98Å; F305-F331 HydrophobicContact CZ-CE1 4.11Å; F305-F331 HydrophobicContact CZ-CE2 4.34Å; F305-F331 AromaticContact CZ-CZ 3.51Å; F305-F331 HydrophobicContact CZ-CZ 3.51Å; F305-T335 HydrophobicContact CE1-CG2 4.1Å; F305-T335 HydrophobicContact CZ-CG2 3.94Å; F305-R338 PolarHBondContact N-O 3.1Å; F305-G339 VanDerWaalsContact CZ-CA 3.5Å; F305-G339 WeakPolarHBondContact O-CA 3.13Å; F305-M340 PolarHBondContact O-N 3.12Å; F305-V341 HydrophobicContact CE2-CG2 4.28Å
306L98.2Very high86.8Confident0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-118.4112.9165.3175.961000107.6C263 W266 L267 V275 V276 L277 L278 M340 V342 I351C263-L306 HydrophobicContact CB-CD1 4.13Å; C263-L306 HydrophobicContact CB-CD2 4.14Å; W266-L306 HydrophobicContact CZ3-CB 4.13Å; L267-L306 HydrophobicContact CD1-CD2 4.04Å; L267-L306 HydrophobicContact CD2-CD2 4.45Å; L267-L306 HydrophobicContact CG-CD2 4.35Å; V275-L306 HydrophobicContact CG1-CB 4.07Å; V276-L306 PolarHBondContact O-N 3.43Å; L277-L306 CarbonylContact C-O 3.45Å; L277-L306 WeakPolarHBondContact CA-O 3.39Å; L277-L306 HydrophobicContact CD1-CB 4.47Å; L277-L306 HydrophobicContact CD1-CD2 4.36Å; L277-L306 HydrophobicContact CD1-CG 4.26Å; L277-L306 WeakPolarHBondContact CD1-O 3.28Å; L278-L306 PolarHBondContact N-O 3.37Å; L306-M340 WeakPolarHBondContact CA-O 3.41Å; L306-M340 HydrophobicContact CD1-CB 3.84Å; L306-M340 HydrophobicContact CD1-CG 3.91Å; L306-M340 HydrophobicContact CD1-SD 3.86Å; L306-V342 HydrophobicContact CD1-CG2 3.79Å; L306-I351 HydrophobicContact CD2-CD1 3.7Å; L306-I351 HydrophobicContact CD2-CG1 4.01Å; L306-I351 HydrophobicContact CD2-CG2 3.91Å
307W97.6Very high84.6Confident1 Ų153.5 Ų53.50%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-112.8114.6-174.6179.316.1000111.7L278 V291 M294 A295 L298 F305 L309 L327 M340 V341 V342L278-W307 HydrophobicContact CB-CB 4.27Å; L278-W307 HydrophobicContact CB-CG 4.16Å; V291-W307 HydrophobicContact CG1-CH2 3.84Å; V291-W307 HydrophobicContact CG1-CZ2 4.29Å; M294-W307 HydrophobicContact CB-CH2 3.67Å; M294-W307 HydrophobicContact CB-CZ2 3.84Å; M294-W307 HydrophobicContact CB-CZ3 4.44Å; M294-W307 HydrophobicContact CE-CH2 4.5Å; M294-W307 HydrophobicContact CE-CZ2 3.53Å; M294-W307 HydrophobicContact CG-CZ2 4.49Å; M294-W307 HydrophobicContact SD-CZ2 3.85Å; A295-W307 HydrophobicContact CB-CH2 4.47Å; A295-W307 HydrophobicContact CB-CZ3 4.08Å; L298-W307 HydrophobicContact CD1-CB 4.49Å; L298-W307 HydrophobicContact CD1-CD2 4.02Å; L298-W307 HydrophobicContact CD1-CE3 3.6Å; L298-W307 HydrophobicContact CD1-CG 4.43Å; L298-W307 HydrophobicContact CD1-CZ3 4.08Å; F305-W307 HydrophobicContact CD2-CB 4.19Å; W307-L309 HydrophobicContact CD2-CB 4.42Å; W307-L309 HydrophobicContact CH2-CD1 4.32Å; W307-L309 HydrophobicContact CZ2-CD1 3.6Å; W307-L309 HydrophobicContact CZ2-CG 4.43Å; W307-L309 PolarHBondContact O-N 2.56Å; W307-L327 HydrophobicContact CH2-CD2 4.04Å; W307-L327 HydrophobicContact CZ3-CD2 3.64Å; W307-M340 PolarHBondContact N-O 2.84Å; W307-V341 HydrophobicContact CE3-CG1 4.48Å; W307-V341 HydrophobicContact CE3-CG2 4.09Å; W307-V341 CarbonylContact O-C 3.52Å; W307-V341 WeakPolarHBondContact O-CA 3.19Å; W307-V342 PolarHBondContact O-N 3.05Å
308V94.3Very high82.7Confident12 Ų1255.4 Ų55.47%0.07329%0.294CS..EExtended strand (participates in β ladder)trans-83.498.1170.4-171.30000108.9L277 L278 V342 N344 A346L277-V308 HydrophobicContact CD1-CG2 4.22Å; L278-V308 PolarHBondContact O-N 2.88Å; V308-V342 CarbonylContact C-O 3.46Å; V308-V342 WeakPolarHBondContact CA-O 3.21Å; V308-N344 WeakPolarHBondContact CG1-O 3.22Å; V308-A346 HydrophobicContact CG2-CB 3.63Å
309L92.9Very high81.1Confident1 Ų161.7 Ų61.71%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-93.1125.1-175175.958.5000111.7V291 W307 L323 L326 L327 V341 V342 N344V291-L309 HydrophobicContact CG1-CD1 4.06Å; V291-L309 HydrophobicContact CG1-CD2 4.19Å; V291-L309 HydrophobicContact CG2-CD1 3.88Å; W307-L309 HydrophobicContact CD2-CB 4.42Å; W307-L309 HydrophobicContact CH2-CD1 4.32Å; W307-L309 HydrophobicContact CZ2-CD1 3.6Å; W307-L309 HydrophobicContact CZ2-CG 4.43Å; W307-L309 PolarHBondContact O-N 2.56Å; L309-L323 HydrophobicContact CD2-CD2 3.86Å; L309-L326 HydrophobicContact CD2-CD1 4.12Å; L309-L327 HydrophobicContact CD2-CD2 4.24Å; L309-V341 HydrophobicContact CB-CG1 3.82Å; L309-V341 HydrophobicContact CD2-CG1 4.15Å; L309-V342 PolarHBondContact N-O 3.47Å; L309-N344 PolarHBondContact O-N 3.36Å
310R85.9Confident79.9Confident50 Ų5063.9 Ų63.919%0.18934%0.342CS..  trans-121.4125.8164.6-68175.6-177.7-88.10.4108.8G281 G284 R285 N344G281-R310 PolarHBondContact O-NE 3.08Å; G284-R310 WeakPolarHBondContact O-CB 3.31Å; R285-R310 HydrophobicContact CG-CB 4.26Å; R310-N344 PolarHBondContact NE-O 3.03Å; R310-N344 PolarHBondContact NH2-O 2.85Å
311S77.6Confident78.9Confident7 Ų758.7 Ų58.75%0.04932%0.321CS..BIsolated β-bridgetrans-97.315717552.80000110.9R343S311-R343 PolarHBondContact OG-NH1 3.07Å; S311-R343 PolarHBondContact OG-NH2 3.48Å
312E75.2Confident78.3Confident99 Ų9961.1 Ų61.146%0.46334%0.338SS..PPolyproline II helixtrans-56.1140.1166-73.7175.5171.200111R285 F286R285-E312 HydrophobicContact CB-CG 4.11Å; F286-E312 PolarHBondContact O-N 3Å
313L64.3Low77.7Confident84 Ų8456.6 Ų56.644%0.4432%0.318SS..PPolyproline II helixtrans-85.7125.5170.4-65.5172.1000107.3G315 E320L313-G315 VanDerWaalsContact C-N 3.33Å; L313-G315 PolarHBondContact O-N 3.18Å; L313-E320 HydrophobicContact CD2-CG 3.79Å
314V53.4Low77.1Confident110 Ų11061.7 Ų61.767%0.66735%0.346SS*.  trans-93.269.8-178.9-168.70000108.9S318V314-S318 VanDerWaalsContact C-OG 3.22Å; V314-S318 PolarHBondContact N-OG 2.93Å; V314-S318 WeakPolarHBondContact O-CB 3.34Å; V314-S318 PolarHBondContact O-OG 3.09Å
315G48.9Very low76.5Confident50 Ų5062.8 Ų62.852%0.51536%0.355SS..SBendtrans102168.4-178.300000114.1L313 D317 S318L313-G315 VanDerWaalsContact C-N 3.33Å; L313-G315 PolarHBondContact O-N 3.18Å; G315-D317 VanDerWaalsContact C-N 3.34Å; G315-S318 PolarHBondContact O-OG 3.22Å; G315-S318 VanDerWaalsContact O-OG 3.04Å
316V51.2Low76.1Confident132 Ų13262.8 Ų62.880%0.836%0.355SS*.THydrogen-bonded Turntrans-73.2-28.5-172.2-163.10000111.9
317D52.8Low76Confident159 Ų15963.1 Ų63.185%0.8536%0.357SS*.THydrogen-bonded Turntrans-108.48.8-177.6-61.2-41.8000113.6G315 V319G315-D317 VanDerWaalsContact C-N 3.34Å; D317-V319 PolarHBondContact O-N 3.03Å
318S58.6Low75.9Confident40 Ų4064.6 Ų64.628%0.2837%0.366SS..PPolyproline II helixtrans-74.7130.1-178.857.60000112.2V314 G315 E320V314-S318 VanDerWaalsContact C-OG 3.22Å; V314-S318 PolarHBondContact N-OG 2.93Å; V314-S318 WeakPolarHBondContact O-CB 3.34Å; V314-S318 PolarHBondContact O-OG 3.09Å; G315-S318 PolarHBondContact O-OG 3.22Å; G315-S318 VanDerWaalsContact O-OG 3.04Å; S318-E320 PolarHBondContact O-N 3.46Å
319V65.6Low75.9Confident133 Ų13372.7 Ų72.781%0.80640%0.403SS*.PPolyproline II helixtrans-59.1133.2167.3-177.90000108.7D317D317-V319 PolarHBondContact O-N 3.03Å
320E71.7Confident76.1Confident88 Ų8874.5 Ų74.541%0.41142%0.422SS..PPolyproline II helixtrans-59126.1174.9-87.5-168-165.100109.7L313 S318 R343 N344L313-E320 HydrophobicContact CD2-CG 3.79Å; S318-E320 PolarHBondContact O-N 3.46Å; E320-R343 IonicContact OE2-CZ 3.14Å; E320-R343 IonicContact OE2-NE 3.26Å; E320-R343 IonicContact OE2-NH2 2.77Å; E320-R343 PolarHBondContact OE2-NH2 3.44Å; E320-N344 PolarHBondContact OE1-ND2 3Å; E320-N344 PolarHBondContact OE2-ND2 3.14Å
321P78.1Confident76.6Confident11 Ų1172.1 Ų72.17%0.07141%0.413CS..PPolyproline II helixtrans-64.3142.5-179.324.7-32.3000110.9E325 L326P321-E325 HydrophobicContact CB-CB 4.28Å; P321-E325 VanDerWaalsContact CB-OE2 3.23Å; P321-E325 WeakPolarHBondContact CB-OE2 3.19Å; P321-L326 HydrophobicContact CB-CD1 4.46Å; P321-L326 HydrophobicContact CB-CD2 4.15Å; P321-L326 HydrophobicContact CB-CG 4.05Å; P321-L326 HydrophobicContact CG-CD1 4.05Å; P321-L326 HydrophobicContact CG-CD2 3.72Å; P321-L326 HydrophobicContact CG-CG 3.94Å
322S84.4Confident77.4Confident52 Ų5274.6 Ų74.636%0.36443%0.428SS..PPolyproline II helixtrans-65.1164.4177.675.40000111.3D324 E325 L326S322-D324 VanDerWaalsContact C-N 3.25Å; S322-D324 PolarHBondContact O-N 3.44Å; S322-D324 PolarHBondContact OG-N 2.97Å; S322-E325 PolarHBondContact O-N 3.26Å; S322-E325 WeakPolarHBondContact OG-CG 3.37Å; S322-E325 PolarHBondContact OG-N 2.83Å; S322-L326 WeakPolarHBondContact O-CG 3.46Å; S322-L326 PolarHBondContact O-N 3.42Å
323L86.1Confident78.3Confident42 Ų4275.9 Ų75.922%0.2243%0.434CS..Hα-helixtrans-60.2-38.6174-74.4177.5000111.6L309 E325 L326 L327 V341 R343L309-L323 HydrophobicContact CD2-CD2 3.86Å; L323-E325 VanDerWaalsContact C-N 3.26Å; L323-E325 PolarHBondContact O-N 3.47Å; L323-L326 PolarHBondContact O-N 2.85Å; L323-L326 VanDerWaalsContact O-N 3.14Å; L323-L327 HydrophobicContact CB-CD1 4.16Å; L323-L327 HydrophobicContact CD2-CD1 4.09Å; L323-L327 WeakPolarHBondContact O-CB 3.44Å; L323-L327 WeakPolarHBondContact O-CG 3.02Å; L323-L327 PolarHBondContact O-N 3.16Å; L323-V341 HydrophobicContact CD2-CG1 3.73Å; L323-R343 HydrophobicContact CD1-CG 4.32Å; L323-R343 HydrophobicContact CD2-CG 3.93Å; L323-R343 HydrophobicContact CG-CG 4.01Å
324D84.6Confident79.9Confident135 Ų13577.1 Ų77.172%0.72243%0.433SS*.Hα-helixtrans-65.4-29.2-180-60.4-33000112.6S322S322-D324 VanDerWaalsContact C-N 3.25Å; S322-D324 PolarHBondContact O-N 3.44Å; S322-D324 PolarHBondContact OG-N 2.97Å
325E87.4Confident82Confident111 Ų11172 Ų7252%0.51940%0.402SS..Hα-helixtrans-79.4-24.5174.9-72.9177.9-162.500113.9R288 P321 S322 L323R288-E325 PolarHBondContact NH1-O 3.4Å; R288-E325 IonicContact NH2-OE2 2.73Å; P321-E325 HydrophobicContact CB-CB 4.28Å; P321-E325 VanDerWaalsContact CB-OE2 3.23Å; P321-E325 WeakPolarHBondContact CB-OE2 3.19Å; S322-E325 PolarHBondContact O-N 3.26Å; S322-E325 WeakPolarHBondContact OG-CG 3.37Å; S322-E325 PolarHBondContact OG-N 2.83Å; L323-E325 VanDerWaalsContact C-N 3.26Å; L323-E325 PolarHBondContact O-N 3.47Å
326L90.3Very high84Confident1 Ų175.8 Ų75.81%0.00540%0.404CS..Hα-helixtrans-93.2-36.8-175-73.4174000112.4R288 V291 L309 P321 S322 L323R288-L326 HydrophobicContact CG-CD2 4.13Å; V291-L326 HydrophobicContact CG1-CB 4.3Å; L309-L326 HydrophobicContact CD2-CD1 4.12Å; P321-L326 HydrophobicContact CB-CD1 4.46Å; P321-L326 HydrophobicContact CB-CD2 4.15Å; P321-L326 HydrophobicContact CB-CG 4.05Å; P321-L326 HydrophobicContact CG-CD1 4.05Å; P321-L326 HydrophobicContact CG-CD2 3.72Å; P321-L326 HydrophobicContact CG-CG 3.94Å; S322-L326 WeakPolarHBondContact O-CG 3.46Å; S322-L326 PolarHBondContact O-N 3.42Å; L323-L326 PolarHBondContact O-N 2.85Å; L323-L326 VanDerWaalsContact O-N 3.14Å
327L94.6Very high85.9Confident8 Ų872.7 Ų72.74%0.04240%0.398CS..SBendtrans-94.2156.9-173.7-61.1171.7000110.7V291 A295 W307 L309 L323 F331 V332 V341V291-L327 HydrophobicContact CG1-CD2 4.15Å; A295-L327 HydrophobicContact CB-CD2 4.06Å; W307-L327 HydrophobicContact CH2-CD2 4.04Å; W307-L327 HydrophobicContact CZ3-CD2 3.64Å; L309-L327 HydrophobicContact CD2-CD2 4.24Å; L323-L327 HydrophobicContact CB-CD1 4.16Å; L323-L327 HydrophobicContact CD2-CD1 4.09Å; L323-L327 WeakPolarHBondContact O-CB 3.44Å; L323-L327 WeakPolarHBondContact O-CG 3.02Å; L323-L327 PolarHBondContact O-N 3.16Å; L327-F331 HydrophobicContact CB-CB 4.23Å; L327-F331 HydrophobicContact CB-CD1 4.26Å; L327-F331 HydrophobicContact CB-CG 4.46Å; L327-F331 HydrophobicContact CD1-CD1 3.79Å; L327-F331 HydrophobicContact CD1-CE1 4.2Å; L327-F331 HydrophobicContact CD2-CD1 4.26Å; L327-F331 HydrophobicContact CD2-CE1 4.34Å; L327-F331 HydrophobicContact CG-CD1 4.33Å; L327-V332 HydrophobicContact CD1-CG2 3.91Å; L327-V341 HydrophobicContact CD1-CG1 4.5Å; L327-V341 HydrophobicContact CD1-CG2 4.28Å
328P95.7Very high88Confident31 Ų3168.5 Ų68.520%0.20137%0.371CS..PPolyproline II helixtrans-55.2142.1169-2333.8000110.9A295 V296 G330 F331A295-P328 VanDerWaalsContact CB-CD 3.41Å; A295-P328 HydrophobicContact CB-CG 3.85Å; V296-P328 HydrophobicContact CG2-CG 4.41Å; P328-G330 PolarHBondContact O-N 3.26Å; P328-F331 HydrophobicContact CB-CB 4.42Å; P328-F331 WeakPolarHBondContact O-CB 3.19Å; P328-F331 PolarHBondContact O-N 3.09Å
329E95.7Very high89.8Confident182 Ų18267 Ų6785%0.8536%0.361SS*.THydrogen-bonded Turntrans-50.4131.4179.9-175.4179.3179.900110.9F331 R334E329-F331 PolarHBondContact O-N 2.72Å; E329-R334 PolarHBondContact O-NH1 2.83Å; E329-R334 PolarHBondContact O-NH2 3.4Å
330G95.3Very high91.3Very high39 Ų3962.4 Ų62.440%0.40233%0.332SS..THydrogen-bonded Turntrans713.6179.400000116P328 V332 E333 R334P328-G330 PolarHBondContact O-N 3.26Å; G330-V332 PolarHBondContact O-N 2.92Å; G330-E333 PolarHBondContact O-N 3.48Å; G330-R334 WeakPolarHBondContact O-CG 3.49Å; G330-R334 PolarHBondContact O-N 2.78Å
331F97Very high92.4Very high1 Ų159.4 Ų59.40%0.00432%0.319CS..Hα-helixtrans-54-49.8-178.5171.3-93.2000112.4A295 E299 F305 L327 P328 E329 E333 R334 T335 V341A295-F331 HydrophobicContact CB-CD2 3.88Å; A295-F331 HydrophobicContact CB-CE2 3.71Å; A295-F331 HydrophobicContact CB-CG 4.39Å; A295-F331 HydrophobicContact CB-CZ 4.06Å; A295-F331 VanDerWaalsContact O-CE2 3.23Å; A295-F331 WeakPolarHBondContact O-CE2 3.44Å; E299-F331 HydrophobicContact CB-CD2 4.36Å; E299-F331 HydrophobicContact CB-CE2 4.03Å; F305-F331 HydrophobicContact CE1-CZ 4.49Å; F305-F331 HydrophobicContact CE2-CE1 4.34Å; F305-F331 AromaticContact CE2-CZ 3.98Å; F305-F331 HydrophobicContact CE2-CZ 3.98Å; F305-F331 HydrophobicContact CZ-CE1 4.11Å; F305-F331 HydrophobicContact CZ-CE2 4.34Å; F305-F331 AromaticContact CZ-CZ 3.51Å; F305-F331 HydrophobicContact CZ-CZ 3.51Å; L327-F331 HydrophobicContact CB-CB 4.23Å; L327-F331 HydrophobicContact CB-CD1 4.26Å; L327-F331 HydrophobicContact CB-CG 4.46Å; L327-F331 HydrophobicContact CD1-CD1 3.79Å; L327-F331 HydrophobicContact CD1-CE1 4.2Å; L327-F331 HydrophobicContact CD2-CD1 4.26Å; L327-F331 HydrophobicContact CD2-CE1 4.34Å; L327-F331 HydrophobicContact CG-CD1 4.33Å; P328-F331 HydrophobicContact CB-CB 4.42Å; P328-F331 WeakPolarHBondContact O-CB 3.19Å; P328-F331 PolarHBondContact O-N 3.09Å; E329-F331 PolarHBondContact O-N 2.72Å; F331-E333 VanDerWaalsContact C-N 3.31Å; F331-E333 PolarHBondContact O-N 2.98Å; F331-R334 PolarHBondContact O-N 2.78Å; F331-T335 HydrophobicContact CD2-CG2 4.11Å; F331-T335 HydrophobicContact CE2-CG2 3.81Å; F331-T335 HydrophobicContact CZ-CG2 4.07Å; F331-T335 PolarHBondContact O-N 2.97Å; F331-T335 PolarHBondContact O-OG1 2.79Å; F331-V341 HydrophobicContact CE1-CG2 3.81Å
332V94.7Very high93.1Very high59 Ų5959 Ų5936%0.35832%0.317SS..Hα-helixtrans-57.5-44.9-177.3177.50000111.2L327 G330 T335 K336L327-V332 HydrophobicContact CD1-CG2 3.91Å; G330-V332 PolarHBondContact O-N 2.92Å; V332-T335 PolarHBondContact O-N 2.8Å; V332-T335 PolarHBondContact O-OG1 3.35Å; V332-K336 WeakPolarHBondContact O-CA 3.48Å; V332-K336 PolarHBondContact O-N 2.9Å
333E95.2Very high93.2Very high125 Ų12558.8 Ų58.858%0.58431%0.308SS*.Hα-helixtrans-69.1-42178-72.6-59.2144.200112.2G330 F331 T335 K336G330-E333 PolarHBondContact O-N 3.48Å; F331-E333 VanDerWaalsContact C-N 3.31Å; F331-E333 PolarHBondContact O-N 2.98Å; E333-T335 PolarHBondContact O-N 2.96Å; E333-K336 WeakPolarHBondContact O-CB 3.21Å; E333-K336 PolarHBondContact O-N 2.9Å; E333-K336 IonicContact OE1-NZ 2.78Å; E333-K336 PolarHBondContact OE1-NZ 3.42Å; E333-K336 WeakPolarHBondContact OE2-CD 3.36Å; E333-K336 IonicContact OE2-NZ 3.32Å; E333-K336 PolarHBondContact OE2-NZ 2.87Å
334R96.9Very high93Very high111 Ų11158.9 Ų58.942%0.41931%0.309SS..Hα-helixtrans-63.3-26.8176.6-71.3-163.6-55.5-80.2-5.4113.3E299 E329 G330 F331 R338E299-R334 WeakPolarHBondContact OE1-CD 3.19Å; E299-R334 IonicContact OE1-CZ 3.78Å; E299-R334 IonicContact OE1-NE 3.89Å; E299-R334 PolarHBondContact OE1-NE 2.91Å; E299-R334 IonicContact OE1-NH2 3.29Å; E299-R334 IonicContact OE2-CZ 3.69Å; E299-R334 IonicContact OE2-NE 3.68Å; E299-R334 PolarHBondContact OE2-NE 2.89Å; E299-R334 IonicContact OE2-NH2 2.74Å; E299-R334 PolarHBondContact OE2-NH2 2.78Å; E329-R334 PolarHBondContact O-NH1 2.83Å; E329-R334 PolarHBondContact O-NH2 3.4Å; G330-R334 WeakPolarHBondContact O-CG 3.49Å; G330-R334 PolarHBondContact O-N 2.78Å; F331-R334 PolarHBondContact O-N 2.78Å; R334-R338 PolarHBondContact O-NH1 3.11Å
335T96.9Very high92.9Very high2 Ų256.6 Ų56.61%0.01229%0.29CS..Hα-helixtrans-103-3.3-179.562.60000114.5E299 F305 F331 V332 E333 G337 R338 G339E299-T335 HydrophobicContact CB-CG2 4.4Å; E299-T335 HydrophobicContact CG-CG2 4.29Å; F305-T335 HydrophobicContact CE1-CG2 4.1Å; F305-T335 HydrophobicContact CZ-CG2 3.94Å; F331-T335 HydrophobicContact CD2-CG2 4.11Å; F331-T335 HydrophobicContact CE2-CG2 3.81Å; F331-T335 HydrophobicContact CZ-CG2 4.07Å; F331-T335 PolarHBondContact O-N 2.97Å; F331-T335 PolarHBondContact O-OG1 2.79Å; V332-T335 PolarHBondContact O-N 2.8Å; V332-T335 PolarHBondContact O-OG1 3.35Å; E333-T335 PolarHBondContact O-N 2.96Å; T335-G337 PolarHBondContact O-N 3.26Å; T335-R338 CarbonylContact O-C 3.57Å; T335-R338 PolarHBondContact O-N 2.88Å; T335-G339 PolarHBondContact O-N 3.12Å
336K92.3Very high92.9Very high130 Ų13051.6 Ų51.657%0.56527%0.268SS*.THydrogen-bonded Turntrans-49.2-33.2-169.2-169.9172.7-171.5163.70116.3V332 E333V332-K336 WeakPolarHBondContact O-CA 3.48Å; V332-K336 PolarHBondContact O-N 2.9Å; E333-K336 WeakPolarHBondContact O-CB 3.21Å; E333-K336 PolarHBondContact O-N 2.9Å; E333-K336 IonicContact OE1-NZ 2.78Å; E333-K336 PolarHBondContact OE1-NZ 3.42Å; E333-K336 WeakPolarHBondContact OE2-CD 3.36Å; E333-K336 IonicContact OE2-NZ 3.32Å; E333-K336 PolarHBondContact OE2-NZ 2.87Å
337G90.5Very high92.8Very high66 Ų6651.6 Ų51.668%0.6827%0.268SS*.THydrogen-bonded Turntrans-83.8-10.3178.300000115.8T335T335-G337 PolarHBondContact O-N 3.26Å
338R96.3Very high92.7Very high72 Ų7252.5 Ų52.527%0.27227%0.272SS..THydrogen-bonded Turntrans-134.7-16.5-176.765179.6-179.5-83.82.6114.8R304 F305 R334 T335R304-R338 CarbonylContact C-O 3.59Å; R304-R338 WeakPolarHBondContact CA-O 3.33Å; R304-R338 WeakPolarHBondContact CB-O 3.44Å; R304-R338 HydrophobicContact CG-CB 3.91Å; F305-R338 PolarHBondContact N-O 3.1Å; R334-R338 PolarHBondContact O-NH1 3.11Å; T335-R338 CarbonylContact O-C 3.57Å; T335-R338 PolarHBondContact O-N 2.88Å
339G97.4Very high92.4Very high8 Ų851.6 Ų51.68%0.08227%0.266CS..EExtended strand (participates in β ladder)trans-129.6136.7-172.800000112F305 T335F305-G339 VanDerWaalsContact CZ-CA 3.5Å; F305-G339 WeakPolarHBondContact O-CA 3.13Å; T335-G339 PolarHBondContact O-N 3.12Å
340M96.7Very high92.3Very high37 Ų3747.4 Ų47.418%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-125.4130.9169.5-175.3-178.2-170.600109.5N261 C263 W266 F305 L306 W307 V342N261-M340 WeakPolarHBondContact O-CE 3.24Å; C263-M340 HydrophobicContact CB-CE 4.14Å; C263-M340 HydrophobicContact CB-SD 3.99Å; W266-M340 HydrophobicContact CB-SD 3.66Å; W266-M340 HydrophobicContact CD2-CB 3.86Å; W266-M340 HydrophobicContact CD2-SD 4.05Å; W266-M340 HydrophobicContact CE3-CB 4.13Å; W266-M340 HydrophobicContact CE3-SD 4.34Å; W266-M340 HydrophobicContact CG-CB 4.3Å; W266-M340 HydrophobicContact CG-SD 3.74Å; W266-M340 HydrophobicContact CH2-CB 4.41Å; W266-M340 HydrophobicContact CZ2-CB 4.16Å; W266-M340 HydrophobicContact CZ3-CB 4.39Å; F305-M340 PolarHBondContact O-N 3.12Å; L306-M340 WeakPolarHBondContact CA-O 3.41Å; L306-M340 HydrophobicContact CD1-CB 3.84Å; L306-M340 HydrophobicContact CD1-CG 3.91Å; L306-M340 HydrophobicContact CD1-SD 3.86Å; W307-M340 PolarHBondContact N-O 2.84Å; M340-V342 HydrophobicContact CE-CG2 3.94Å; M340-V342 HydrophobicContact CG-CG2 4.2Å; M340-V342 HydrophobicContact SD-CG2 4.22Å
341V95.5Very high92.2Very high24 Ų2445.6 Ų45.615%0.14522%0.223CC..EExtended strand (participates in β ladder)trans-110.2122.5173.4-173.50000108.9F305 W307 L309 L323 L327 F331F305-V341 HydrophobicContact CE2-CG2 4.28Å; W307-V341 HydrophobicContact CE3-CG1 4.48Å; W307-V341 HydrophobicContact CE3-CG2 4.09Å; W307-V341 CarbonylContact O-C 3.52Å; W307-V341 WeakPolarHBondContact O-CA 3.19Å; L309-V341 HydrophobicContact CB-CG1 3.82Å; L309-V341 HydrophobicContact CD2-CG1 4.15Å; L323-V341 HydrophobicContact CD2-CG1 3.73Å; L327-V341 HydrophobicContact CD1-CG1 4.5Å; L327-V341 HydrophobicContact CD1-CG2 4.28Å; F331-V341 HydrophobicContact CE1-CG2 3.81Å
342V91.8Very high92.2Very high4 Ų445.7 Ų45.72%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-110.8132.9178.3178.60000108.9N261 C263 L306 W307 V308 L309 M340 W345 A346N261-V342 HydrophobicContact CB-CG1 3.82Å; N261-V342 HydrophobicContact CB-CG2 4.32Å; N261-V342 WeakPolarHBondContact ND2-CG1 3.39Å; C263-V342 HydrophobicContact CB-CG2 4.17Å; L306-V342 HydrophobicContact CD1-CG2 3.79Å; W307-V342 PolarHBondContact O-N 3.05Å; V308-V342 CarbonylContact C-O 3.46Å; V308-V342 WeakPolarHBondContact CA-O 3.21Å; L309-V342 PolarHBondContact N-O 3.47Å; M340-V342 HydrophobicContact CE-CG2 3.94Å; M340-V342 HydrophobicContact CG-CG2 4.2Å; M340-V342 HydrophobicContact SD-CG2 4.22Å; V342-W345 WeakPolarHBondContact CG1-O 3.31Å; V342-A346 HydrophobicContact CG1-CB 4.29Å
343R87.1Confident92.2Very high47 Ų4745.1 Ų45.118%0.17722%0.222CC..EExtended strand (participates in β ladder)trans-79.7137.5177.5-73.9-67.4-58.3174.7-5111.1S311 E320 L323 W345S311-R343 PolarHBondContact OG-NH1 3.07Å; S311-R343 PolarHBondContact OG-NH2 3.48Å; E320-R343 IonicContact OE2-CZ 3.14Å; E320-R343 IonicContact OE2-NE 3.26Å; E320-R343 IonicContact OE2-NH2 2.77Å; E320-R343 PolarHBondContact OE2-NH2 3.44Å; L323-R343 HydrophobicContact CD1-CG 4.32Å; L323-R343 HydrophobicContact CD2-CG 3.93Å; L323-R343 HydrophobicContact CG-CG 4.01Å; R343-W345 VanDerWaalsContact C-N 3.26Å; R343-W345 PolarHBondContact O-N 3.03Å
344N80.4Confident92.3Very high44 Ų4440.8 Ų40.824%0.23520%0.202CC..SBendtrans64.1-64.7168-63.3-38.3000115.4V308 L309 R310 E320V308-N344 WeakPolarHBondContact CG1-O 3.22Å; L309-N344 PolarHBondContact O-N 3.36Å; R310-N344 PolarHBondContact NE-O 3.03Å; R310-N344 PolarHBondContact NH2-O 2.85Å; E320-N344 PolarHBondContact OE1-ND2 3Å; E320-N344 PolarHBondContact OE2-ND2 3.14Å
345W84.2Confident92.3Very high86 Ų8640.4 Ų40.433%0.32621%0.208SC..  trans-139.8143.7-170.3-174.690.5000112.6E257 N261 V342 R343 P347E257-W345 HydrophobicContact CB-CH2 4Å; E257-W345 HydrophobicContact CG-CH2 4.19Å; E257-W345 HydrophobicContact CG-CZ2 4.22Å; N261-W345 PolarHBondContact ND2-O 3.33Å; N261-W345 VanDerWaalsContact ND2-O 3.14Å; V342-W345 WeakPolarHBondContact CG1-O 3.31Å; R343-W345 VanDerWaalsContact C-N 3.26Å; R343-W345 PolarHBondContact O-N 3.03Å; W345-P347 HydrophobicContact CH2-CB 3.74Å; W345-P347 HydrophobicContact CZ2-CB 4.37Å; W345-P347 HydrophobicContact CZ3-CB 4.28Å
346A86.6Confident92.3Very high6 Ų640.6 Ų40.65%0.0521%0.21CC..  trans-143.8154.717200000109.1V308 V342 Q348 I351V308-A346 HydrophobicContact CG2-CB 3.63Å; V342-A346 HydrophobicContact CG1-CB 4.29Å; A346-Q348 VanDerWaalsContact C-N 3.28Å; A346-Q348 PolarHBondContact O-N 3.16Å; A346-I351 HydrophobicContact CB-CD1 3.58Å
347P88.9Confident92.6Very high1 Ų134.8 Ų34.81%0.00619%0.185CC..  trans-73.878.2-177.132.2-37.5000111.4E257 L264 W345 V349 R350 I351E257-P347 HydrophobicContact CB-CB 3.8Å; E257-P347 WeakPolarHBondContact OE2-CA 3.17Å; E257-P347 WeakPolarHBondContact OE2-CB 3.44Å; L264-P347 HydrophobicContact CD1-CG 4.49Å; L264-P347 HydrophobicContact CD2-CG 4.34Å; L264-P347 HydrophobicContact CG-CG 4.38Å; W345-P347 HydrophobicContact CH2-CB 3.74Å; W345-P347 HydrophobicContact CZ2-CB 4.37Å; W345-P347 HydrophobicContact CZ3-CB 4.28Å; P347-V349 VanDerWaalsContact C-N 3.34Å; P347-V349 PolarHBondContact O-N 3.12Å; P347-R350 HydrophobicContact CB-CB 4.1Å; P347-R350 HydrophobicContact CB-CG 4.32Å; P347-R350 HydrophobicContact CG-CB 4.37Å; P347-R350 WeakPolarHBondContact O-CB 3.39Å; P347-R350 PolarHBondContact O-N 2.76Å; P347-I351 HydrophobicContact CG-CD1 4.4Å; P347-I351 HydrophobicContact CG-CG1 4.46Å; P347-I351 WeakPolarHBondContact O-CG1 3.39Å; P347-I351 PolarHBondContact O-N 2.87Å
348Q92.1Very high93Very high27 Ų2731.6 Ų31.613%0.12615%0.153CC..Hα-helixtrans-55.3-43.3-167.1-179.7167.9-68.100113.2L277 S279 A346 R350 I351 L352 S368 E371L277-Q348 HydrophobicContact CD2-CG 4.26Å; S279-Q348 VanDerWaalsContact CB-OE1 3.25Å; S279-Q348 PolarHBondContact OG-OE1 2.89Å; A346-Q348 VanDerWaalsContact C-N 3.28Å; A346-Q348 PolarHBondContact O-N 3.16Å; Q348-R350 VanDerWaalsContact C-N 3.31Å; Q348-R350 PolarHBondContact O-N 3.32Å; Q348-I351 PolarHBondContact O-N 3.21Å; Q348-L352 HydrophobicContact CG-CD1 3.83Å; Q348-L352 HydrophobicContact CG-CG 4.25Å; Q348-L352 WeakPolarHBondContact O-CB 3.39Å; Q348-L352 WeakPolarHBondContact O-CG 3.48Å; Q348-L352 PolarHBondContact O-N 3.39Å; Q348-S368 PolarHBondContact NE2-OG 2.95Å; Q348-E371 PolarHBondContact NE2-OE2 3.44Å
349V89.6Confident93.1Very high13 Ų1328.2 Ų28.28%0.07914%0.14CC..Hα-helixtrans-62.1-41.8179.4-1730000110.6T254 P347 L352 S353 E371T254-V349 HydrophobicContact CG2-CG1 3.63Å; P347-V349 VanDerWaalsContact C-N 3.34Å; P347-V349 PolarHBondContact O-N 3.12Å; V349-L352 PolarHBondContact O-N 3.47Å; V349-S353 WeakPolarHBondContact O-CB 3.25Å; V349-S353 PolarHBondContact O-N 3.47Å; V349-S353 PolarHBondContact O-OG 2.99Å; V349-E371 HydrophobicContact CG2-CG 4.22Å
350R92.2Very high93.2Very high93 Ų9327.8 Ų27.835%0.35114%0.136SC..Hα-helixtrans-66.3-41176.8-69.6-68.9-63.1-85-1.9112.1T254 L264 P347 Q348 S353 H354T254-R350 WeakPolarHBondContact O-CD 3.43Å; L264-R350 HydrophobicContact CD1-CB 4.25Å; L264-R350 HydrophobicContact CD2-CB 4.02Å; P347-R350 HydrophobicContact CB-CB 4.1Å; P347-R350 HydrophobicContact CB-CG 4.32Å; P347-R350 HydrophobicContact CG-CB 4.37Å; P347-R350 WeakPolarHBondContact O-CB 3.39Å; P347-R350 PolarHBondContact O-N 2.76Å; Q348-R350 VanDerWaalsContact C-N 3.31Å; Q348-R350 PolarHBondContact O-N 3.32Å; R350-S353 WeakPolarHBondContact CA-OG 3.37Å; R350-S353 PolarHBondContact O-N 2.95Å; R350-S353 PolarHBondContact O-OG 3.48Å; R350-H354 PolarHBondContact O-N 2.81Å
351I95.1Very high93.3Very high1 Ų126 Ų261%0.00513%0.127CC..Hα-helixtrans-62.7-50176.7-68.2162.4000110.2L264 L267 L277 L306 A346 P347 Q348 S353 H354 V357L264-I351 HydrophobicContact CD2-CG1 4.04Å; L267-I351 HydrophobicContact CD1-CB 4.32Å; L267-I351 HydrophobicContact CD1-CG1 4.06Å; L267-I351 HydrophobicContact CD1-CG2 3.98Å; L277-I351 HydrophobicContact CB-CG2 4.4Å; L277-I351 HydrophobicContact CD1-CG2 4Å; L277-I351 HydrophobicContact CD2-CG2 3.84Å; L277-I351 HydrophobicContact CG-CG2 4.29Å; L306-I351 HydrophobicContact CD2-CD1 3.7Å; L306-I351 HydrophobicContact CD2-CG1 4.01Å; L306-I351 HydrophobicContact CD2-CG2 3.91Å; A346-I351 HydrophobicContact CB-CD1 3.58Å; P347-I351 HydrophobicContact CG-CD1 4.4Å; P347-I351 HydrophobicContact CG-CG1 4.46Å; P347-I351 WeakPolarHBondContact O-CG1 3.39Å; P347-I351 PolarHBondContact O-N 2.87Å; Q348-I351 PolarHBondContact O-N 3.21Å; I351-S353 PolarHBondContact O-N 3.31Å; I351-H354 WeakPolarHBondContact O-CB 3.37Å; I351-H354 PolarHBondContact O-N 3.47Å; I351-V357 HydrophobicContact CG2-CG2 3.88Å; I351-V357 WeakPolarHBondContact O-CG2 3.43Å
352L96.1Very high93.4Very high4 Ų424.9 Ų24.92%0.02112%0.12CC..Hα-helixtrans-62.2-32.1-179.8-72172.3000112.5L277 Q348 V349 H354 F360 E371 A372 E375 V377L277-L352 HydrophobicContact CD2-CD2 3.84Å; L277-L352 HydrophobicContact CD2-CG 4.08Å; Q348-L352 HydrophobicContact CG-CD1 3.83Å; Q348-L352 HydrophobicContact CG-CG 4.25Å; Q348-L352 WeakPolarHBondContact O-CB 3.39Å; Q348-L352 WeakPolarHBondContact O-CG 3.48Å; Q348-L352 PolarHBondContact O-N 3.39Å; V349-L352 PolarHBondContact O-N 3.47Å; L352-H354 PolarHBondContact O-N 3.4Å; L352-F360 HydrophobicContact CD1-CE1 4.3Å; L352-F360 HydrophobicContact CD2-CB 4.16Å; L352-F360 HydrophobicContact CD2-CD1 3.92Å; L352-F360 HydrophobicContact CD2-CE1 4.42Å; L352-F360 HydrophobicContact CD2-CG 4.02Å; L352-E371 HydrophobicContact CD1-CB 3.69Å; L352-A372 HydrophobicContact CD1-CB 4.46Å; L352-E375 HydrophobicContact CB-CB 4.3Å; L352-E375 HydrophobicContact CB-CG 4.19Å; L352-E375 WeakPolarHBondContact O-CB 3.17Å; L352-V377 HydrophobicContact CD2-CB 4.27Å; L352-V377 HydrophobicContact CD2-CG1 4.16Å; L352-V377 HydrophobicContact CD2-CG2 4.18Å; L352-V377 WeakPolarHBondContact O-CG2 3.42Å
353S94.8Very high93.7Very high47 Ų4725.1 Ų25.133%0.32912%0.121SC..THydrogen-bonded Turntrans-75.8-6.617569.60000114.5V349 R350 I351V349-S353 WeakPolarHBondContact O-CB 3.25Å; V349-S353 PolarHBondContact O-N 3.47Å; V349-S353 PolarHBondContact O-OG 2.99Å; R350-S353 WeakPolarHBondContact CA-OG 3.37Å; R350-S353 PolarHBondContact O-N 2.95Å; R350-S353 PolarHBondContact O-OG 3.48Å; I351-S353 PolarHBondContact O-N 3.31Å
354H96.3Very high94.2Very high34 Ų3422.9 Ų22.916%0.15711%0.112CC..SBendtrans-81.8132.6-174.9-164.5-70.3000111.6L267 D268 R350 I351 L352 S356 V357L267-H354 VanDerWaalsContact C-CE1 3.43Å; L267-H354 HydrophobicContact CD1-CB 4.18Å; L267-H354 PolarHBondContact O-CE1 2.83Å; D268-H354 IonicContact OD1-CE1 3.56Å; D268-H354 IonicContact OD1-NE2 3.5Å; D268-H354 PolarHBondContact OD1-NE2 3.3Å; D268-H354 VanDerWaalsContact OD1-NE2 3.13Å; R350-H354 PolarHBondContact O-N 2.81Å; I351-H354 WeakPolarHBondContact O-CB 3.37Å; I351-H354 PolarHBondContact O-N 3.47Å; L352-H354 PolarHBondContact O-N 3.4Å; H354-S356 VanDerWaalsContact C-N 3.26Å; H354-S356 PolarHBondContact CE1-OG 3.21Å; H354-S356 WeakPolarHBondContact ND1-CB 3.44Å; H354-S356 PolarHBondContact ND1-N 3.44Å; H354-S356 VanDerWaalsContact ND1-N 3.17Å; H354-S356 PolarHBondContact ND1-OG 2.78Å; H354-S356 PolarHBondContact O-N 3.5Å; H354-V357 HydrophobicContact CB-CG2 4.35Å; H354-V357 WeakPolarHBondContact O-CB 3.39Å; H354-V357 PolarHBondContact O-N 3.47Å
355D97.2Very high94.9Very high103 Ų10321.3 Ų21.355%0.55111%0.106SC*.THydrogen-bonded Turntrans-57.7-35.9-174.9-174.565.1000113.5S272 Q273 V357S272-D355 WeakPolarHBondContact CB-OD2 3.48Å; S272-D355 VanDerWaalsContact OG-CG 3.24Å; S272-D355 PolarHBondContact OG-OD1 3.22Å; S272-D355 PolarHBondContact OG-OD2 3.05Å; Q273-D355 PolarHBondContact N-O 3.13Å; D355-V357 PolarHBondContact O-N 3.41Å
356S98.3Very high95.5Very high5 Ų517.4 Ų17.44%0.0359%0.092CC..THydrogen-bonded Turntrans-63.4-17175.2-45.90000115.5L267 Q270 P271 Q273 S274 V275 H354 G358L267-S356 WeakPolarHBondContact O-CB 3.36Å; L267-S356 PolarHBondContact O-OG 2.94Å; Q270-S356 PolarHBondContact O-OG 3.13Å; Q270-S356 VanDerWaalsContact O-OG 3.11Å; P271-S356 WeakPolarHBondContact O-CA 3.43Å; Q273-S356 CarbonylContact C-O 3.56Å; S274-S356 PolarHBondContact N-O 3.4Å; V275-S356 WeakPolarHBondContact CB-O 3.48Å; V275-S356 PolarHBondContact N-O 3.14Å; H354-S356 VanDerWaalsContact C-N 3.26Å; H354-S356 PolarHBondContact CE1-OG 3.21Å; H354-S356 WeakPolarHBondContact ND1-CB 3.44Å; H354-S356 PolarHBondContact ND1-N 3.44Å; H354-S356 VanDerWaalsContact ND1-N 3.17Å; H354-S356 PolarHBondContact ND1-OG 2.78Å; H354-S356 PolarHBondContact O-N 3.5Å; S356-G358 PolarHBondContact O-N 3.27Å
357V98.5Very high95.8Very high8 Ų819.8 Ų19.85%0.04810%0.103CC..EExtended strand (participates in β ladder)trans-79.1115180174.70000110.4L267 V275 I351 H354 D355 V377L267-V357 HydrophobicContact CD1-CG2 4.46Å; L267-V357 HydrophobicContact CD2-CG2 4.13Å; V275-V357 CarbonylContact O-C 3.53Å; V275-V357 WeakPolarHBondContact O-CA 3.27Å; I351-V357 HydrophobicContact CG2-CG2 3.88Å; I351-V357 WeakPolarHBondContact O-CG2 3.43Å; H354-V357 HydrophobicContact CB-CG2 4.35Å; H354-V357 WeakPolarHBondContact O-CB 3.39Å; H354-V357 PolarHBondContact O-N 3.47Å; D355-V357 PolarHBondContact O-N 3.41Å; V357-V377 HydrophobicContact CG1-CG1 3.92Å; V357-V377 HydrophobicContact CG1-CG2 4.24Å
358G98.4Very high96Very high0 Ų020.2 Ų20.20%011%0.107CC..EExtended strand (participates in β ladder)trans-100.7-17.6-179.800000114.4Q273 V275 S356 P378 R435Q273-G358 VanDerWaalsContact C-CA 3.48Å; Q273-G358 WeakPolarHBondContact O-CA 3.4Å; V275-G358 PolarHBondContact O-N 2.92Å; S356-G358 PolarHBondContact O-N 3.27Å; G358-P378 WeakPolarHBondContact O-CD 3.36Å; G358-P378 VanDerWaalsContact O-CG 3.22Å; G358-P378 WeakPolarHBondContact O-CG 3.37Å; G358-R435 PolarHBondContact O-NH1 2.93Å; G358-R435 PolarHBondContact O-NH2 2.83Å
359G98.8Very high96.3Very high0 Ų019 Ų190%010%0.101CC..EExtended strand (participates in β ladder)trans-166.1166.4-179.500000113.3V275 V276 L277 P378V275-G359 PolarHBondContact O-N 2.69Å; V276-G359 CarbonylContact C-O 3.6Å; V276-G359 WeakPolarHBondContact CA-O 3.47Å; L277-G359 PolarHBondContact N-O 2.87Å; G359-P378 CarbonylContact C-O 3.29Å; G359-P378 VanDerWaalsContact CA-O 3.31Å; G359-P378 WeakPolarHBondContact CA-O 3.45Å
360F98.9Very high96.6Very high0 Ų018.3 Ų18.30%010%0.097CC..EExtended strand (participates in β ladder)trans-140.1113.1-177.6179.5-153.2000112.5L277 L352 T362 A372 V377 P378 M379 V380L277-F360 HydrophobicContact CB-CD2 3.98Å; L277-F360 HydrophobicContact CD2-CD2 3.78Å; L277-F360 HydrophobicContact CD2-CE2 3.81Å; L277-F360 HydrophobicContact CD2-CG 4.43Å; L277-F360 HydrophobicContact CD2-CZ 4.42Å; L277-F360 HydrophobicContact CG-CD2 3.76Å; L277-F360 HydrophobicContact CG-CE2 3.96Å; L277-F360 CarbonylContact O-C 3.58Å; L277-F360 WeakPolarHBondContact O-CA 3.1Å; L352-F360 HydrophobicContact CD1-CE1 4.3Å; L352-F360 HydrophobicContact CD2-CB 4.16Å; L352-F360 HydrophobicContact CD2-CD1 3.92Å; L352-F360 HydrophobicContact CD2-CE1 4.42Å; L352-F360 HydrophobicContact CD2-CG 4.02Å; F360-T362 HydrophobicContact CD1-CG2 4.26Å; F360-T362 VanDerWaalsContact CE1-CB 3.5Å; F360-T362 HydrophobicContact CE1-CG2 4.29Å; F360-T362 VanDerWaalsContact CZ-CB 3.49Å; F360-T362 WeakPolarHBondContact CZ-OG1 3.44Å; F360-A372 HydrophobicContact CD1-CB 3.8Å; F360-A372 HydrophobicContact CE1-CB 4.37Å; F360-V377 HydrophobicContact CB-CG1 3.8Å; F360-P378 PolarHBondContact N-O 3.18Å; F360-M379 HydrophobicContact CB-CG 4.14Å; F360-M379 HydrophobicContact CD1-CG 4.19Å; F360-M379 CarbonylContact O-C 3.58Å; F360-M379 WeakPolarHBondContact O-CA 3.49Å; F360-V380 PolarHBondContact O-N 3.17Å
361V98.8Very high96.8Very high0 Ų015.2 Ų15.20%09%0.086CC..EExtended strand (participates in β ladder)trans-82.5114.5165.7-169.30000108.1V276 L277 L278 S279 F280 V380 W382 L418 V422V276-V361 HydrophobicContact CG1-CG2 3.74Å; L277-V361 PolarHBondContact O-N 3.29Å; L278-V361 HydrophobicContact CB-CB 4.43Å; L278-V361 HydrophobicContact CD1-CG2 4.46Å; L278-V361 HydrophobicContact CD2-CB 3.96Å; L278-V361 HydrophobicContact CD2-CG1 4.28Å; L278-V361 HydrophobicContact CD2-CG2 3.9Å; L278-V361 HydrophobicContact CG-CB 3.77Å; L278-V361 HydrophobicContact CG-CG2 3.74Å; S279-V361 PolarHBondContact N-O 2.86Å; F280-V361 HydrophobicContact CE1-CG1 4.27Å; F280-V361 HydrophobicContact CZ-CG1 4.01Å; V361-V380 WeakPolarHBondContact CA-O 3.14Å; V361-V380 HydrophobicContact CB-CB 4.37Å; V361-V380 HydrophobicContact CG1-CB 4.21Å; V361-V380 HydrophobicContact CG1-CG1 4.32Å; V361-V380 HydrophobicContact CG2-CB 4.08Å; V361-V380 HydrophobicContact CG2-CG2 4.34Å; V361-W382 HydrophobicContact CG1-CB 4.33Å; V361-W382 HydrophobicContact CG1-CE3 3.89Å; V361-L418 HydrophobicContact CG1-CD1 4.42Å; V361-L418 HydrophobicContact CG2-CD1 4.47Å; V361-V422 HydrophobicContact CG2-CG2 4.13Å
362T98.5Very high96.9Very high0 Ų015.2 Ų15.20%09%0.086CC..EExtended strand (participates in β ladder)trans-128.4145.3-169.8-178.60000112F360 C364 M379 V380 W382 M395F360-T362 HydrophobicContact CD1-CG2 4.26Å; F360-T362 VanDerWaalsContact CE1-CB 3.5Å; F360-T362 HydrophobicContact CE1-CG2 4.29Å; F360-T362 VanDerWaalsContact CZ-CB 3.49Å; F360-T362 WeakPolarHBondContact CZ-OG1 3.44Å; T362-C364 PolarHBondContact O-N 2.76Å; T362-C364 VanDerWaalsContact O-N 3.08Å; T362-C364 PolarHBondContact O-SG 2.93Å; T362-C364 PolarHBondContact OG1-N 3.34Å; T362-C364 VanDerWaalsContact OG1-N 3.15Å; T362-M379 HydrophobicContact CG2-CB 4.26Å; T362-M379 HydrophobicContact CG2-CG 4.14Å; T362-M379 HydrophobicContact CG2-SD 4.01Å; T362-V380 PolarHBondContact N-O 3.33Å; T362-W382 PolarHBondContact O-N 3.41Å; T362-M395 HydrophobicContact CG2-CE 4.18Å
363H97.2Very high97Very high9 Ų915 Ų154%0.0429%0.085CC..  trans-62.9-0.9165.669.9-35.3000115.3F280 G365 S368 W382 L384 Y385 Q388F280-H363 HydrophobicContact CB-CB 4.14Å; F280-H363 HydrophobicContact CD1-CB 4.1Å; F280-H363 PolarHBondContact O-CD2 2.88Å; F280-H363 VanDerWaalsContact O-CD2 3.31Å; H363-G365 PolarHBondContact O-N 2.71Å; H363-S368 PolarHBondContact CE1-OG 3.25Å; H363-W382 VanDerWaalsContact CA-O 3.25Å; H363-W382 WeakPolarHBondContact CA-O 3.48Å; H363-L384 HydrophobicContact CB-CD1 4.17Å; H363-L384 HydrophobicContact CB-CG 4.26Å; H363-Y385 AromaticContact CD2-CZ 3.96Å; H363-Y385 PolarHBondContact CD2-OH 3.18Å; H363-Q388 PolarHBondContact CD2-NE2 2.81Å; H363-Q388 WeakPolarHBondContact O-CB 3.18Å; H363-Q388 WeakPolarHBondContact O-CG 3.39Å; H363-Q388 PolarHBondContact O-OE1 3.48Å
364C98Very high97Very high0 Ų014 Ų140%08%0.077CC..  trans65.617.6179.6-430000114.6T362 W366 A381 Q388 N391 M395T362-C364 PolarHBondContact O-N 2.76Å; T362-C364 VanDerWaalsContact O-N 3.08Å; T362-C364 PolarHBondContact O-SG 2.93Å; T362-C364 PolarHBondContact OG1-N 3.34Å; T362-C364 VanDerWaalsContact OG1-N 3.15Å; C364-W366 PolarHBondContact O-N 3.39Å; C364-A381 WeakPolarHBondContact SG-CA 3.49Å; C364-A381 WeakPolarHBondContact SG-CB 3.38Å; C364-Q388 HydrophobicContact CB-CB 4.18Å; C364-N391 HydrophobicContact CB-CB 4.07Å; C364-N391 WeakPolarHBondContact O-CB 3.44Å; C364-N391 PolarHBondContact O-ND2 3.4Å; C364-M395 HydrophobicContact CB-SD 3.88Å
365G95.4Very high97.1Very high10 Ų1014.9 Ų14.910%0.1038%0.082CC..  trans-62133169.400000110.3H363 N367 S368 V369H363-G365 PolarHBondContact O-N 2.71Å; G365-N367 VanDerWaalsContact C-N 3.32Å; G365-N367 PolarHBondContact O-N 2.98Å; G365-S368 PolarHBondContact O-N 3.28Å; G365-V369 PolarHBondContact O-N 3.29Å
366W95.6Very high97.1Very high5 Ų510.7 Ų10.72%0.0196%0.063CC..Hα-helixtrans-57.2-39.9-165.6-167-116.7000114.1N216 I221 E222 C364 S368 V369 L370 M399N216-W366 PolarHBondContact O-NE1 3.21Å; I221-W366 HydrophobicContact CG2-CH2 4.25Å; I221-W366 HydrophobicContact CG2-CZ2 4.43Å; E222-W366 HydrophobicContact CG-CH2 4.18Å; E222-W366 HydrophobicContact CG-CZ2 4.49Å; E222-W366 VanDerWaalsContact OE2-CZ2 3.26Å; E222-W366 WeakPolarHBondContact OE2-CZ2 3.41Å; C364-W366 PolarHBondContact O-N 3.39Å; W366-S368 VanDerWaalsContact C-N 3.34Å; W366-S368 PolarHBondContact O-N 3.08Å; W366-V369 HydrophobicContact CE3-CB 4.29Å; W366-V369 HydrophobicContact CE3-CG1 4.34Å; W366-V369 HydrophobicContact CZ3-CG1 4.14Å; W366-V369 WeakPolarHBondContact O-CB 3.18Å; W366-V369 PolarHBondContact O-N 3.49Å; W366-L370 HydrophobicContact CZ2-CD2 4.09Å; W366-L370 WeakPolarHBondContact O-CG 3.25Å; W366-L370 PolarHBondContact O-N 2.86Å; W366-M399 HydrophobicContact CH2-SD 4.46Å
367N92.4Very high97.1Very high55 Ų5510.7 Ų10.729%0.2946%0.062SC..Hα-helixtrans-57.5-44.9174.4-68.9-39000112.5G365 V369 L370 E371G365-N367 VanDerWaalsContact C-N 3.32Å; G365-N367 PolarHBondContact O-N 2.98Å; N367-V369 VanDerWaalsContact C-N 3.33Å; N367-V369 PolarHBondContact O-N 3.07Å; N367-L370 PolarHBondContact O-N 3.41Å; N367-E371 VanDerWaalsContact O-CG 3.25Å; N367-E371 WeakPolarHBondContact O-CG 3.42Å; N367-E371 PolarHBondContact O-N 2.93Å
368S94.3Very high97.1Very high11 Ų1110.3 Ų10.38%0.0776%0.06CC..Hα-helixtrans-70.3-31179.6-58.40000112.6Q348 H363 G365 W366 A372Q348-S368 PolarHBondContact NE2-OG 2.95Å; H363-S368 PolarHBondContact CE1-OG 3.25Å; G365-S368 PolarHBondContact O-N 3.28Å; W366-S368 VanDerWaalsContact C-N 3.34Å; W366-S368 PolarHBondContact O-N 3.08Å; S368-A372 WeakPolarHBondContact O-CB 3.43Å; S368-A372 PolarHBondContact O-N 3.49Å; S368-A372 VanDerWaalsContact O-N 3.09Å
369V97.4Very high97.1Very high0 Ų010.3 Ų10.30%06%0.06CC..Hα-helixtrans-64.6-47.8171.41770000110G365 W366 N367 A372 V373 M379 M395 M399G365-V369 PolarHBondContact O-N 3.29Å; W366-V369 HydrophobicContact CE3-CB 4.29Å; W366-V369 HydrophobicContact CE3-CG1 4.34Å; W366-V369 HydrophobicContact CZ3-CG1 4.14Å; W366-V369 WeakPolarHBondContact O-CB 3.18Å; W366-V369 PolarHBondContact O-N 3.49Å; N367-V369 VanDerWaalsContact C-N 3.33Å; N367-V369 PolarHBondContact O-N 3.07Å; V369-A372 PolarHBondContact O-N 3.24Å; V369-V373 HydrophobicContact CG1-CG2 4.38Å; V369-V373 WeakPolarHBondContact O-CB 3.49Å; V369-V373 WeakPolarHBondContact O-CG2 3.2Å; V369-V373 PolarHBondContact O-N 2.77Å; V369-M379 HydrophobicContact CG1-CE 4.43Å; V369-M395 HydrophobicContact CG1-CE 4.48Å; V369-M395 HydrophobicContact CG1-CG 4.24Å; V369-M395 HydrophobicContact CG1-SD 4.2Å; V369-M395 HydrophobicContact CG2-CE 3.97Å; V369-M395 HydrophobicContact CG2-SD 3.49Å; V369-M395 WeakPolarHBondContact CG2-SD 3.17Å; V369-M399 HydrophobicContact CG1-CE 4.19Å
370L96.6Very high97.1Very high0 Ų010.3 Ų10.30%06%0.06CC..Hα-helixtrans-62.9-43178-68.2178.6000112.4N216 I221 P249 I251 W366 N367 A372 V373 C374N216-L370 HydrophobicContact CB-CD1 4.34Å; N216-L370 WeakPolarHBondContact ND2-CD1 3.25Å; N216-L370 WeakPolarHBondContact O-CD1 3.45Å; I221-L370 HydrophobicContact CD1-CD2 3.79Å; P249-L370 HydrophobicContact CB-CB 4.46Å; P249-L370 HydrophobicContact CB-CD1 4.44Å; P249-L370 HydrophobicContact CB-CD2 4.27Å; P249-L370 HydrophobicContact CG-CD2 4.32Å; I251-L370 HydrophobicContact CG2-CB 3.8Å; I251-L370 HydrophobicContact CG2-CD1 4.49Å; W366-L370 HydrophobicContact CZ2-CD2 4.09Å; W366-L370 WeakPolarHBondContact O-CG 3.25Å; W366-L370 PolarHBondContact O-N 2.86Å; N367-L370 PolarHBondContact O-N 3.41Å; L370-A372 VanDerWaalsContact C-N 3.33Å; L370-A372 PolarHBondContact O-N 2.93Å; L370-V373 PolarHBondContact O-N 2.88Å; L370-C374 VanDerWaalsContact O-CB 3.27Å; L370-C374 WeakPolarHBondContact O-CB 3.41Å; L370-C374 PolarHBondContact O-N 3.21Å; L370-C374 PolarHBondContact O-SG 3.43Å; L370-C374 VanDerWaalsContact O-SG 3.38Å
371E95.3Very high97.1Very high28 Ų2810.3 Ų10.313%0.1316%0.06CC..Hα-helixtrans-56.9-47.3174.7-72.2163.2-176.200111I251 Q348 V349 L352 N367 C374 E375I251-E371 HydrophobicContact CB-CG 4.49Å; I251-E371 HydrophobicContact CG2-CG 4.3Å; Q348-E371 PolarHBondContact NE2-OE2 3.44Å; V349-E371 HydrophobicContact CG2-CG 4.22Å; L352-E371 HydrophobicContact CD1-CB 3.69Å; N367-E371 VanDerWaalsContact O-CG 3.25Å; N367-E371 WeakPolarHBondContact O-CG 3.42Å; N367-E371 PolarHBondContact O-N 2.93Å; E371-C374 PolarHBondContact O-N 3.35Å; E371-E375 PolarHBondContact O-N 3.38Å
372A97.7Very high97.1Very high0 Ų010.3 Ų10.30%06%0.06CC..Hα-helixtrans-66.8-41.1179.400000112.8L352 F360 S368 V369 L370 E375 G376 V377 M379L352-A372 HydrophobicContact CD1-CB 4.46Å; F360-A372 HydrophobicContact CD1-CB 3.8Å; F360-A372 HydrophobicContact CE1-CB 4.37Å; S368-A372 WeakPolarHBondContact O-CB 3.43Å; S368-A372 PolarHBondContact O-N 3.49Å; S368-A372 VanDerWaalsContact O-N 3.09Å; V369-A372 PolarHBondContact O-N 3.24Å; L370-A372 VanDerWaalsContact C-N 3.33Å; L370-A372 PolarHBondContact O-N 2.93Å; A372-E375 CarbonylContact O-C 3.56Å; A372-E375 PolarHBondContact O-N 2.82Å; A372-G376 PolarHBondContact O-N 2.63Å; A372-V377 HydrophobicContact CB-CB 4.4Å; A372-V377 PolarHBondContact O-N 2.94Å; A372-M379 HydrophobicContact CB-CE 4.24Å; A372-M379 HydrophobicContact CB-CG 4.17Å; A372-M379 HydrophobicContact CB-SD 3.67Å
373V97.9Very high97Very high0 Ų010.3 Ų10.30%06%0.06CC..Hα-helixtrans-63.2-45174.8167.10000110.9I221 V369 L370 E375 G376 M379 M399 V438 M441 K442I221-V373 HydrophobicContact CD1-CG1 4.09Å; I221-V373 HydrophobicContact CG1-CG1 4.33Å; V369-V373 HydrophobicContact CG1-CG2 4.38Å; V369-V373 WeakPolarHBondContact O-CB 3.49Å; V369-V373 WeakPolarHBondContact O-CG2 3.2Å; V369-V373 PolarHBondContact O-N 2.77Å; L370-V373 PolarHBondContact O-N 2.88Å; V373-E375 PolarHBondContact O-N 3.21Å; V373-G376 PolarHBondContact O-N 3.32Å; V373-G376 VanDerWaalsContact O-N 3.13Å; V373-M379 HydrophobicContact CG2-CE 4.24Å; V373-M399 HydrophobicContact CG2-CE 4.01Å; V373-V438 HydrophobicContact CG2-CG2 4.32Å; V373-M441 HydrophobicContact CG1-CB 4.14Å; V373-M441 HydrophobicContact CG1-CG 3.55Å; V373-M441 HydrophobicContact CG1-SD 3.68Å; V373-M441 HydrophobicContact CG2-SD 3.92Å; V373-K442 WeakPolarHBondContact O-CA 3.41Å; V373-K442 WeakPolarHBondContact O-CB 3.49Å
374C96.3Very high96.9Very high25 Ų2511.7 Ų11.717%0.1697%0.068CC..Hα-helixtrans-62.8-25.8176.8-79.40000112.6I251 L370 E371 K442I251-C374 HydrophobicContact CD1-CB 3.67Å; L370-C374 VanDerWaalsContact O-CB 3.27Å; L370-C374 WeakPolarHBondContact O-CB 3.41Å; L370-C374 PolarHBondContact O-N 3.21Å; L370-C374 PolarHBondContact O-SG 3.43Å; L370-C374 VanDerWaalsContact O-SG 3.38Å; E371-C374 PolarHBondContact O-N 3.35Å; C374-K442 WeakPolarHBondContact O-CD 3.38Å; C374-K442 WeakPolarHBondContact O-CE 3.38Å; C374-K442 WeakPolarHBondContact O-CG 3.49Å
375E96.7Very high96.5Very high54 Ų5415.2 Ų15.225%0.2528%0.082SC..Hα-helixtrans-97.2-7.1174.8-63-55160.300115.1L352 E371 A372 V373 V377 K442L352-E375 HydrophobicContact CB-CB 4.3Å; L352-E375 HydrophobicContact CB-CG 4.19Å; L352-E375 WeakPolarHBondContact O-CB 3.17Å; E371-E375 PolarHBondContact O-N 3.38Å; A372-E375 CarbonylContact O-C 3.56Å; A372-E375 PolarHBondContact O-N 2.82Å; V373-E375 PolarHBondContact O-N 3.21Å; E375-V377 HydrophobicContact CB-CG2 4.06Å; E375-K442 VanDerWaalsContact C-NZ 3.32Å; E375-K442 PolarHBondContact O-NZ 3.46Å; E375-K442 IonicContact OE2-NZ 2.96Å; E375-K442 PolarHBondContact OE2-NZ 3.46Å; E375-K442 VanDerWaalsContact OE2-NZ 3.14Å
376G97.7Very high96.4Very high14 Ų1416.5 Ų16.514%0.1449%0.091CC..THydrogen-bonded Turntrans75.428.917800000112.5A372 V373 V438A372-G376 PolarHBondContact O-N 2.63Å; V373-G376 PolarHBondContact O-N 3.32Å; V373-G376 VanDerWaalsContact O-N 3.13Å; G376-V438 VanDerWaalsContact O-CG1 3.31Å; G376-V438 WeakPolarHBondContact O-CG1 3.31Å
377V98.7Very high96.3Very high5 Ų517.6 Ų17.63%0.0310%0.097CC..  trans-94.9119.9-177.4-178.90000109.7L352 V357 F360 A372 E375L352-V377 HydrophobicContact CD2-CB 4.27Å; L352-V377 HydrophobicContact CD2-CG1 4.16Å; L352-V377 HydrophobicContact CD2-CG2 4.18Å; L352-V377 WeakPolarHBondContact O-CG2 3.42Å; V357-V377 HydrophobicContact CG1-CG1 3.92Å; V357-V377 HydrophobicContact CG1-CG2 4.24Å; F360-V377 HydrophobicContact CB-CG1 3.8Å; A372-V377 HydrophobicContact CB-CB 4.4Å; A372-V377 PolarHBondContact O-N 2.94Å; E375-V377 HydrophobicContact CB-CG2 4.06Å
378P98.7Very high96.6Very high0 Ų015.1 Ų15.10%08%0.083CC..  trans-72.8153.5178.433.5-37.6000110.9G358 G359 F360 L425 I434 R435 V438G358-P378 WeakPolarHBondContact O-CD 3.36Å; G358-P378 VanDerWaalsContact O-CG 3.22Å; G358-P378 WeakPolarHBondContact O-CG 3.37Å; G359-P378 CarbonylContact C-O 3.29Å; G359-P378 VanDerWaalsContact CA-O 3.31Å; G359-P378 WeakPolarHBondContact CA-O 3.45Å; F360-P378 PolarHBondContact N-O 3.18Å; P378-L425 HydrophobicContact CB-CD1 3.96Å; P378-L425 HydrophobicContact CB-CG 4.48Å; P378-L425 HydrophobicContact CG-CD1 4.47Å; P378-L425 HydrophobicContact CG-CG 4.48Å; P378-I434 HydrophobicContact CB-CB 4.49Å; P378-I434 HydrophobicContact CB-CG2 3.6Å; P378-R435 HydrophobicContact CG-CB 4.3Å; P378-R435 HydrophobicContact CG-CG 4.42Å; P378-V438 HydrophobicContact CB-CG1 4.24Å
379M98.9Very high96.7Very high0 Ų016.6 Ų16.60%09%0.087CC..EExtended strand (participates in β ladder)trans-122.8153.8-166.1-71.3168.4-78.900115.1F360 T362 V369 A372 V373 M395 V401 A402 L403F360-M379 HydrophobicContact CB-CG 4.14Å; F360-M379 HydrophobicContact CD1-CG 4.19Å; F360-M379 CarbonylContact O-C 3.58Å; F360-M379 WeakPolarHBondContact O-CA 3.49Å; T362-M379 HydrophobicContact CG2-CB 4.26Å; T362-M379 HydrophobicContact CG2-CG 4.14Å; T362-M379 HydrophobicContact CG2-SD 4.01Å; V369-M379 HydrophobicContact CG1-CE 4.43Å; A372-M379 HydrophobicContact CB-CE 4.24Å; A372-M379 HydrophobicContact CB-CG 4.17Å; A372-M379 HydrophobicContact CB-SD 3.67Å; V373-M379 HydrophobicContact CG2-CE 4.24Å; M379-M395 HydrophobicContact CB-CE 4.07Å; M379-M395 HydrophobicContact CE-CE 3.88Å; M379-M395 HydrophobicContact CG-CE 4.42Å; M379-M395 HydrophobicContact SD-CE 3.49Å; M379-M395 WeakPolarHBondContact SD-CE 3.46Å; M379-V401 HydrophobicContact CE-CB 4.09Å; M379-V401 HydrophobicContact CE-CG2 3.58Å; M379-V401 PolarHBondContact N-O 3.09Å; M379-V401 VanDerWaalsContact N-O 3.16Å; M379-A402 HydrophobicContact CB-CB 3.94Å; M379-A402 WeakPolarHBondContact O-CA 3.41Å; M379-L403 PolarHBondContact O-N 3.28Å
380V98.9Very high96.7Very high0 Ų016.6 Ų16.60%09%0.087CC..EExtended strand (participates in β ladder)trans-107.7120.2155.4-179.90000107.5F360 V361 T362 L403 V405 R421 L425F360-V380 PolarHBondContact O-N 3.17Å; V361-V380 WeakPolarHBondContact CA-O 3.14Å; V361-V380 HydrophobicContact CB-CB 4.37Å; V361-V380 HydrophobicContact CG1-CB 4.21Å; V361-V380 HydrophobicContact CG1-CG1 4.32Å; V361-V380 HydrophobicContact CG2-CB 4.08Å; V361-V380 HydrophobicContact CG2-CG2 4.34Å; T362-V380 PolarHBondContact N-O 3.33Å; V380-L403 CarbonylContact C-O 3.57Å; V380-L403 WeakPolarHBondContact CA-O 3.48Å; V380-V405 HydrophobicContact CG1-CG1 3.49Å; V380-V405 VanDerWaalsContact CG1-CG1 3.49Å; V380-R421 HydrophobicContact CG1-CB 3.95Å; V380-R421 HydrophobicContact CG2-CB 4.26Å; V380-L425 HydrophobicContact CG2-CB 4.19Å; V380-L425 HydrophobicContact CG2-CD2 3.84Å; V380-L425 HydrophobicContact CG2-CG 4.49Å
381A98.8Very high96.8Very high0 Ų016.7 Ų16.70%09%0.088CC..EExtended strand (participates in β ladder)trans-87.4111-177.200000110.6C364 R392 M395 A402 L403 V405C364-A381 WeakPolarHBondContact SG-CA 3.49Å; C364-A381 WeakPolarHBondContact SG-CB 3.38Å; A381-R392 HydrophobicContact CB-CB 4.07Å; A381-R392 HydrophobicContact CB-CG 3.79Å; A381-M395 HydrophobicContact CB-CE 4.25Å; A381-A402 HydrophobicContact CB-CB 4.07Å; A381-L403 PolarHBondContact N-O 2.72Å; A381-V405 PolarHBondContact O-N 2.77Å; A381-V405 VanDerWaalsContact O-N 3.11Å
382W98.3Very high97Very high1 Ų117.3 Ų17.30%0.0049%0.089CC..  trans-129.279.2-179.6-171.9-14.6000111.4F280 F286 Q290 M294 V361 T362 H363 V405 V413 L418F280-W382 HydrophobicContact CE1-CB 4.13Å; F280-W382 AromaticContact CE1-CD2 3.99Å; F280-W382 HydrophobicContact CE1-CD2 3.99Å; F280-W382 HydrophobicContact CE1-CE3 4.03Å; F280-W382 HydrophobicContact CE1-CG 4.05Å; F280-W382 HydrophobicContact CZ-CD2 4.41Å; F280-W382 HydrophobicContact CZ-CE3 4.02Å; F280-W382 HydrophobicContact CZ-CZ3 4.4Å; F286-W382 HydrophobicContact CE1-CZ2 4.18Å; Q290-W382 HydrophobicContact CG-CZ2 4.42Å; M294-W382 HydrophobicContact CE-CZ3 4.48Å; M294-W382 HydrophobicContact CG-CH2 3.69Å; M294-W382 HydrophobicContact CG-CZ3 4.19Å; M294-W382 HydrophobicContact SD-CH2 4.22Å; V361-W382 HydrophobicContact CG1-CB 4.33Å; V361-W382 HydrophobicContact CG1-CE3 3.89Å; T362-W382 PolarHBondContact O-N 3.41Å; H363-W382 VanDerWaalsContact CA-O 3.25Å; H363-W382 WeakPolarHBondContact CA-O 3.48Å; W382-V405 HydrophobicContact CB-CG1 4.05Å; W382-V405 HydrophobicContact CB-CG2 3.81Å; W382-V405 HydrophobicContact CD2-CG1 4.18Å; W382-V405 HydrophobicContact CD2-CG2 4.07Å; W382-V405 HydrophobicContact CE3-CG1 4.08Å; W382-V405 HydrophobicContact CG-CG1 4.2Å; W382-V405 HydrophobicContact CG-CG2 3.61Å; W382-V413 HydrophobicContact CD2-CG2 4.3Å; W382-V413 VanDerWaalsContact CE2-CG2 3.43Å; W382-V413 HydrophobicContact CH2-CB 3.65Å; W382-V413 HydrophobicContact CH2-CG1 3.87Å; W382-V413 HydrophobicContact CH2-CG2 4.14Å; W382-V413 HydrophobicContact CZ2-CB 3.31Å; W382-V413 HydrophobicContact CZ2-CG1 3.97Å; W382-V413 HydrophobicContact CZ2-CG2 3.37Å; W382-V413 HydrophobicContact CZ3-CG1 4.33Å; W382-L418 HydrophobicContact CE3-CD1 4.13Å; W382-L418 HydrophobicContact CZ3-CB 4.4Å; W382-L418 HydrophobicContact CZ3-CD1 3.69Å; W382-L418 HydrophobicContact CZ3-CD2 3.98Å; W382-L418 HydrophobicContact CZ3-CG 4.22Å
383P96.7Very high97Very high0 Ų017.7 Ų17.70%09%0.091CC..  trans-71.2150.3-172.432.5-37.8000113.4Q388 R389 R392P383-Q388 VanDerWaalsContact CB-C 3.4Å; P383-Q388 HydrophobicContact CB-CB 3.53Å; P383-Q388 WeakPolarHBondContact CB-O 3.33Å; P383-R389 HydrophobicContact CB-CG 3.92Å; P383-R389 HydrophobicContact CG-CG 3.81Å; P383-R392 HydrophobicContact CG-CB 4.22Å
384L93.9Very high97Very high38 Ų3817.8 Ų17.820%0.1999%0.091CC..  trans-122.7-55.8-179.4-57.1178.8000112.1F280 F286 H363 R389F280-L384 HydrophobicContact CB-CD1 3.97Å; F280-L384 HydrophobicContact CD1-CD1 4.13Å; F280-L384 HydrophobicContact CG-CD1 4.42Å; F286-L384 HydrophobicContact CE1-CD1 4.36Å; F286-L384 HydrophobicContact CE1-CD2 3.63Å; F286-L384 HydrophobicContact CE2-CD1 4.49Å; F286-L384 HydrophobicContact CZ-CD1 3.93Å; F286-L384 HydrophobicContact CZ-CD2 3.86Å; H363-L384 HydrophobicContact CB-CD1 4.17Å; H363-L384 HydrophobicContact CB-CG 4.26Å; L384-R389 PolarHBondContact O-NH1 3.28Å; L384-R389 VanDerWaalsContact O-NH1 3.12Å
385Y90.9Very high97.1Very high74 Ų7416.6 Ų16.629%0.298%0.083SC..SBendtrans-142.2178.6-169.459-97000113.1L283 H363 Q388L283-Y385 HydrophobicContact CB-CE1 3.96Å; L283-Y385 HydrophobicContact CD1-CE2 4.45Å; H363-Y385 AromaticContact CD2-CZ 3.96Å; H363-Y385 PolarHBondContact CD2-OH 3.18Å; Y385-Q388 WeakPolarHBondContact O-CB 3.15Å; Y385-Q388 WeakPolarHBondContact O-CG 3.47Å; Y385-Q388 PolarHBondContact O-N 2.96Å; Y385-Q388 PolarHBondContact O-OE1 3.5Å
386A91.9Very high97.2Very high37 Ų3716.3 Ų16.331%0.3069%0.085SC..THydrogen-bonded Turntrans49.8-139.6-179.200000112.2Q388A386-Q388 PolarHBondContact O-N 3.06Å
387E95.2Very high97.2Very high28 Ų2820.5 Ų20.513%0.13110%0.101CC..THydrogen-bonded Turntrans-82.611.118084.5-66.4178.800113.8S143 P186 R389 L390 N391S143-E387 VanDerWaalsContact OG-CD 3.29Å; S143-E387 PolarHBondContact OG-OE1 3.47Å; P186-E387 HydrophobicContact CG-CB 3.95Å; E387-R389 VanDerWaalsContact C-N 3.28Å; E387-R389 PolarHBondContact O-N 2.97Å; E387-L390 WeakPolarHBondContact O-CB 3.38Å; E387-L390 PolarHBondContact O-N 3.09Å; E387-L390 VanDerWaalsContact O-N 3.11Å; E387-N391 PolarHBondContact O-N 3.23Å; E387-N391 PolarHBondContact OE1-ND2 3.24Å
388Q97.2Very high97.1Very high3 Ų321.2 Ų21.21%0.01411%0.105CC..Hα-helixtrans-62.4-32.1-172.3-68.61665.500113.5H363 C364 P383 Y385 A386 N391 R392H363-Q388 PolarHBondContact CD2-NE2 2.81Å; H363-Q388 WeakPolarHBondContact O-CB 3.18Å; H363-Q388 WeakPolarHBondContact O-CG 3.39Å; H363-Q388 PolarHBondContact O-OE1 3.48Å; C364-Q388 HydrophobicContact CB-CB 4.18Å; P383-Q388 VanDerWaalsContact CB-C 3.4Å; P383-Q388 HydrophobicContact CB-CB 3.53Å; P383-Q388 WeakPolarHBondContact CB-O 3.33Å; Y385-Q388 WeakPolarHBondContact O-CB 3.15Å; Y385-Q388 WeakPolarHBondContact O-CG 3.47Å; Y385-Q388 PolarHBondContact O-N 2.96Å; Y385-Q388 PolarHBondContact O-OE1 3.5Å; A386-Q388 PolarHBondContact O-N 3.06Å; Q388-N391 PolarHBondContact O-N 2.97Å; Q388-R392 PolarHBondContact O-N 3.07Å
389R97.2Very high97.1Very high42 Ų4221.3 Ų21.316%0.15811%0.105CC..Hα-helixtrans-65.3-44.4175.7-75.3-177.1171.373.313.3111.2D184 P383 L384 E387 R392 V393 E407D184-R389 HydrophobicContact CB-CB 4.38Å; P383-R389 HydrophobicContact CB-CG 3.92Å; P383-R389 HydrophobicContact CG-CG 3.81Å; L384-R389 PolarHBondContact O-NH1 3.28Å; L384-R389 VanDerWaalsContact O-NH1 3.12Å; E387-R389 VanDerWaalsContact C-N 3.28Å; E387-R389 PolarHBondContact O-N 2.97Å; R389-R392 WeakPolarHBondContact O-CB 3.17Å; R389-R392 PolarHBondContact O-N 3.31Å; R389-V393 PolarHBondContact O-N 2.91Å; R389-E407 IonicContact NH2-OE2 2.89Å; R389-E407 PolarHBondContact NH2-OE2 2.96Å; R389-E407 VanDerWaalsContact NH2-OE2 3.11Å
390L98Very high97Very high0 Ų027.4 Ų27.40%013%0.132CC..Hα-helixtrans-59.1-48.4169.9177.761.3000111.2T150 I180 D184 E387 R392 V393 I394T150-L390 HydrophobicContact CG2-CD1 4.18Å; T150-L390 HydrophobicContact CG2-CD2 3.99Å; T150-L390 WeakPolarHBondContact OG1-CD2 3.44Å; I180-L390 HydrophobicContact CD1-CD1 3.83Å; I180-L390 HydrophobicContact CG1-CD1 4.11Å; I180-L390 HydrophobicContact CG2-CD1 3.69Å; D184-L390 PolarHBondContact O-N 3.27Å; E387-L390 WeakPolarHBondContact O-CB 3.38Å; E387-L390 PolarHBondContact O-N 3.09Å; E387-L390 VanDerWaalsContact O-N 3.11Å; L390-R392 VanDerWaalsContact C-N 3.28Å; L390-R392 PolarHBondContact O-N 3.15Å; L390-V393 WeakPolarHBondContact O-CB 3.29Å; L390-V393 PolarHBondContact O-N 3.45Å; L390-I394 HydrophobicContact CD1-CD1 4.48Å; L390-I394 HydrophobicContact CD1-CG1 4.35Å; L390-I394 WeakPolarHBondContact O-CG1 3.06Å; L390-I394 PolarHBondContact O-N 3.1Å
391N98.3Very high97Very high2 Ų227.4 Ų27.41%0.01113%0.132CC..Hα-helixtrans-57.3-41.2178.2-67.3-14.2000111.6C364 E387 Q388 V393 I394 M395C364-N391 HydrophobicContact CB-CB 4.07Å; C364-N391 WeakPolarHBondContact O-CB 3.44Å; C364-N391 PolarHBondContact O-ND2 3.4Å; E387-N391 PolarHBondContact O-N 3.23Å; E387-N391 PolarHBondContact OE1-ND2 3.24Å; Q388-N391 PolarHBondContact O-N 2.97Å; N391-V393 VanDerWaalsContact C-N 3.35Å; N391-V393 PolarHBondContact O-N 2.97Å; N391-I394 PolarHBondContact O-N 3.2Å; N391-M395 WeakPolarHBondContact O-CB 3.43Å; N391-M395 WeakPolarHBondContact O-CG 3.35Å; N391-M395 PolarHBondContact O-N 2.95Å
392R98.3Very high97Very high41 Ų4127.6 Ų27.616%0.15513%0.133CC..Hα-helixtrans-55-48.6173.1169.1-17267.9-171.3-2.2111.4D184 A381 P383 Q388 R389 L390 I394 M395 V396 A404 E407D184-R392 IonicContact OD1-NH2 2.71Å; D184-R392 PolarHBondContact OD1-NH2 2.82Å; D184-R392 VanDerWaalsContact OD1-NH2 3.1Å; A381-R392 HydrophobicContact CB-CB 4.07Å; A381-R392 HydrophobicContact CB-CG 3.79Å; P383-R392 HydrophobicContact CG-CB 4.22Å; Q388-R392 PolarHBondContact O-N 3.07Å; R389-R392 WeakPolarHBondContact O-CB 3.17Å; R389-R392 PolarHBondContact O-N 3.31Å; L390-R392 VanDerWaalsContact C-N 3.28Å; L390-R392 PolarHBondContact O-N 3.15Å; R392-I394 VanDerWaalsContact C-N 3.32Å; R392-I394 PolarHBondContact O-N 3.28Å; R392-M395 PolarHBondContact O-N 3.36Å; R392-V396 HydrophobicContact CG-CG2 4.36Å; R392-V396 WeakPolarHBondContact O-CB 3.46Å; R392-V396 VanDerWaalsContact O-CG2 3.26Å; R392-V396 WeakPolarHBondContact O-CG2 3.43Å; R392-V396 PolarHBondContact O-N 2.72Å; R392-A404 HydrophobicContact CG-CB 4.06Å; R392-E407 IonicContact CZ-OE1 3.83Å; R392-E407 IonicContact NH1-OE1 3.1Å; R392-E407 PolarHBondContact NH1-OE1 3.37Å
393V98.1Very high97Very high8 Ų828.3 Ų28.35%0.04814%0.137CC..Hα-helixtrans-58.2-47.3179.6174.30000110.6P178 I180 D184 R389 L390 N391 V396 Q397P178-V393 HydrophobicContact CG-CG1 4.13Å; I180-V393 HydrophobicContact CD1-CB 4.44Å; I180-V393 HydrophobicContact CD1-CG1 3.64Å; D184-V393 HydrophobicContact CB-CG2 4.19Å; D184-V393 VanDerWaalsContact OD2-CG2 3.31Å; D184-V393 WeakPolarHBondContact OD2-CG2 3.44Å; R389-V393 PolarHBondContact O-N 2.91Å; L390-V393 WeakPolarHBondContact O-CB 3.29Å; L390-V393 PolarHBondContact O-N 3.45Å; N391-V393 VanDerWaalsContact C-N 3.35Å; N391-V393 PolarHBondContact O-N 2.97Å; V393-V396 PolarHBondContact O-N 3.23Å; V393-Q397 HydrophobicContact CG1-CG 4.38Å; V393-Q397 VanDerWaalsContact O-CB 3.29Å; V393-Q397 WeakPolarHBondContact O-CB 3.21Å; V393-Q397 WeakPolarHBondContact O-CG 3.28Å; V393-Q397 PolarHBondContact O-N 2.89Å
394I98.3Very high97.1Very high1 Ų129.8 Ų29.81%0.00515%0.149CC..Iπ-helixtrans-64-45.9179-57.6-53.5000111.3L177 P178 I180 L390 N391 R392 V396 D398 M399L177-I394 HydrophobicContact CD2-CD1 4.01Å; P178-I394 HydrophobicContact CG-CD1 4.11Å; I180-I394 HydrophobicContact CD1-CD1 4.02Å; L390-I394 HydrophobicContact CD1-CD1 4.48Å; L390-I394 HydrophobicContact CD1-CG1 4.35Å; L390-I394 WeakPolarHBondContact O-CG1 3.06Å; L390-I394 PolarHBondContact O-N 3.1Å; N391-I394 PolarHBondContact O-N 3.2Å; R392-I394 VanDerWaalsContact C-N 3.32Å; R392-I394 PolarHBondContact O-N 3.28Å; I394-V396 VanDerWaalsContact C-N 3.31Å; I394-V396 PolarHBondContact O-N 3.03Å; I394-D398 HydrophobicContact CG2-CB 4.3Å; I394-D398 WeakPolarHBondContact O-CA 3.34Å; I394-D398 WeakPolarHBondContact O-CB 3.48Å; I394-D398 PolarHBondContact O-N 2.79Å; I394-M399 HydrophobicContact CG2-CG 4.1Å; I394-M399 HydrophobicContact CG2-SD 4.09Å; I394-M399 PolarHBondContact O-N 2.96Å
395M98.6Very high97.3Very high0 Ų028.1 Ų28.10%014%0.141CC..Iπ-helixtrans-59.8-39.7179.6-72.31676600112.7T362 C364 V369 M379 A381 N391 R392 M399 K400 V401 A402T362-M395 HydrophobicContact CG2-CE 4.18Å; C364-M395 HydrophobicContact CB-SD 3.88Å; V369-M395 HydrophobicContact CG1-CE 4.48Å; V369-M395 HydrophobicContact CG1-CG 4.24Å; V369-M395 HydrophobicContact CG1-SD 4.2Å; V369-M395 HydrophobicContact CG2-CE 3.97Å; V369-M395 HydrophobicContact CG2-SD 3.49Å; V369-M395 WeakPolarHBondContact CG2-SD 3.17Å; M379-M395 HydrophobicContact CB-CE 4.07Å; M379-M395 HydrophobicContact CE-CE 3.88Å; M379-M395 HydrophobicContact CG-CE 4.42Å; M379-M395 HydrophobicContact SD-CE 3.49Å; M379-M395 WeakPolarHBondContact SD-CE 3.46Å; A381-M395 HydrophobicContact CB-CE 4.25Å; N391-M395 WeakPolarHBondContact O-CB 3.43Å; N391-M395 WeakPolarHBondContact O-CG 3.35Å; N391-M395 PolarHBondContact O-N 2.95Å; R392-M395 PolarHBondContact O-N 3.36Å; M395-M399 HydrophobicContact CB-SD 4.49Å; M395-M399 HydrophobicContact CG-SD 3.97Å; M395-K400 WeakPolarHBondContact O-CA 3.37Å; M395-K400 PolarHBondContact O-N 2.85Å; M395-V401 HydrophobicContact CB-CG2 4.31Å; M395-V401 PolarHBondContact O-N 3.47Å; M395-A402 HydrophobicContact CB-CB 4.02Å; M395-A402 HydrophobicContact CE-CB 3.88Å
396V98.4Very high97.6Very high48 Ų4829.4 Ų29.429%0.29115%0.152SC..Iπ-helixtrans-84.6-47.2-176175.60000111.6R392 V393 I394 A402 A404R392-V396 HydrophobicContact CG-CG2 4.36Å; R392-V396 WeakPolarHBondContact O-CB 3.46Å; R392-V396 VanDerWaalsContact O-CG2 3.26Å; R392-V396 WeakPolarHBondContact O-CG2 3.43Å; R392-V396 PolarHBondContact O-N 2.72Å; V393-V396 PolarHBondContact O-N 3.23Å; I394-V396 VanDerWaalsContact C-N 3.31Å; I394-V396 PolarHBondContact O-N 3.03Å; V396-A402 HydrophobicContact CG2-CB 4.19Å; V396-A404 HydrophobicContact CG2-CB 4.02Å
397Q97.7Very high97.7Very high103 Ų10329.9 Ų29.948%0.48115%0.148SC..Iπ-helixtrans-91.6-36.7-169.4-58.5-172.222.300113.5P178 V393P178-Q397 HydrophobicContact CB-CB 4.16Å; P178-Q397 HydrophobicContact CG-CB 4.15Å; V393-Q397 HydrophobicContact CG1-CG 4.38Å; V393-Q397 VanDerWaalsContact O-CB 3.29Å; V393-Q397 WeakPolarHBondContact O-CB 3.21Å; V393-Q397 WeakPolarHBondContact O-CG 3.28Å; V393-Q397 PolarHBondContact O-N 2.89Å
398D96.9Very high97.6Very high20 Ų2033.3 Ų33.311%0.10717%0.168CC..Iπ-helixtrans-98-62.5-177.8-176.433.9000111.8R224 I394 K400R224-D398 IonicContact CZ-OD1 2.78Å; R224-D398 IonicContact NE-OD1 3.7Å; R224-D398 PolarHBondContact NE-OD1 2.84Å; R224-D398 IonicContact NH2-OD1 2.88Å; R224-D398 PolarHBondContact NH2-OD1 2.83Å; I394-D398 HydrophobicContact CG2-CB 4.3Å; I394-D398 WeakPolarHBondContact O-CA 3.34Å; I394-D398 WeakPolarHBondContact O-CB 3.48Å; I394-D398 PolarHBondContact O-N 2.79Å; D398-K400 VanDerWaalsContact C-N 3.28Å; D398-K400 PolarHBondContact O-N 3.42Å
399M98Very high97.1Very high1 Ų144 Ų441%0.00521%0.214CC..Iπ-helixtrans-66-34.8-177.7-61.4171.268.800111.8I221 W366 V369 V373 I394 M395 V401 R437 M441I221-M399 HydrophobicContact CG2-CE 3.71Å; I221-M399 HydrophobicContact CG2-SD 4.49Å; W366-M399 HydrophobicContact CH2-SD 4.46Å; V369-M399 HydrophobicContact CG1-CE 4.19Å; V373-M399 HydrophobicContact CG2-CE 4.01Å; I394-M399 HydrophobicContact CG2-CG 4.1Å; I394-M399 HydrophobicContact CG2-SD 4.09Å; I394-M399 PolarHBondContact O-N 2.96Å; M395-M399 HydrophobicContact CB-SD 4.49Å; M395-M399 HydrophobicContact CG-SD 3.97Å; M399-V401 VanDerWaalsContact C-N 3.33Å; M399-V401 HydrophobicContact CB-CG1 4.16Å; M399-V401 HydrophobicContact CB-CG2 3.82Å; M399-V401 HydrophobicContact CE-CG2 3.8Å; M399-V401 HydrophobicContact SD-CG2 4.37Å; M399-R437 WeakPolarHBondContact O-CG 3.22Å; M399-R437 PolarHBondContact O-NE 2.93Å; M399-M441 HydrophobicContact CB-CE 3.96Å; M399-M441 HydrophobicContact CE-CE 4.11Å; M399-M441 HydrophobicContact CE-SD 3.61Å; M399-M441 HydrophobicContact CG-CE 4.25Å
400K98.2Very high96.6Very high128 Ų12848.3 Ų48.356%0.55724%0.24SC*.  trans58.140.6-175.2-58179-177.6-1790113.1M395 D398 R437M395-K400 WeakPolarHBondContact O-CA 3.37Å; M395-K400 PolarHBondContact O-N 2.85Å; D398-K400 VanDerWaalsContact C-N 3.28Å; D398-K400 PolarHBondContact O-N 3.42Å; K400-R437 HydrophobicContact CB-CG 4.33Å; K400-R437 WeakPolarHBondContact O-CG 3.47Å
401V98.6Very high96.3Very high0 Ų049.4 Ų49.40%025%0.252CS..  trans-109.44.8-178.1-61.90000113.2M379 M395 M399 I434 R437 V438 M441M379-V401 HydrophobicContact CE-CB 4.09Å; M379-V401 HydrophobicContact CE-CG2 3.58Å; M379-V401 PolarHBondContact N-O 3.09Å; M379-V401 VanDerWaalsContact N-O 3.16Å; M395-V401 HydrophobicContact CB-CG2 4.31Å; M395-V401 PolarHBondContact O-N 3.47Å; M399-V401 VanDerWaalsContact C-N 3.33Å; M399-V401 HydrophobicContact CB-CG1 4.16Å; M399-V401 HydrophobicContact CB-CG2 3.82Å; M399-V401 HydrophobicContact CE-CG2 3.8Å; M399-V401 HydrophobicContact SD-CG2 4.37Å; V401-I434 WeakPolarHBondContact O-CG2 3.48Å; V401-R437 HydrophobicContact CG1-CG 4.07Å; V401-V438 HydrophobicContact CB-CB 4.32Å; V401-V438 HydrophobicContact CB-CG2 4.44Å; V401-V438 HydrophobicContact CG1-CB 4.03Å; V401-V438 HydrophobicContact CG1-CG2 4.28Å; V401-M441 HydrophobicContact CG1-CE 4.05Å; V401-M441 HydrophobicContact CG1-SD 4.15Å
402A98.8Very high96.2Very high5 Ų552 Ų524%0.04126%0.263CS..EExtended strand (participates in β ladder)trans-146.6156.8-177.400000114.1M379 A381 M395 V396M379-A402 HydrophobicContact CB-CB 3.94Å; M379-A402 WeakPolarHBondContact O-CA 3.41Å; A381-A402 HydrophobicContact CB-CB 4.07Å; M395-A402 HydrophobicContact CB-CB 4.02Å; M395-A402 HydrophobicContact CE-CB 3.88Å; V396-A402 HydrophobicContact CG2-CB 4.19Å
403L98.8Very high96.2Very high16 Ų1650 Ų508%0.08426%0.256CS..EExtended strand (participates in β ladder)trans-95.3143.6158.2-61.7172.4000108.9M379 V380 A381 E424 L425 K430 I434M379-L403 PolarHBondContact O-N 3.28Å; V380-L403 CarbonylContact C-O 3.57Å; V380-L403 WeakPolarHBondContact CA-O 3.48Å; A381-L403 PolarHBondContact N-O 2.72Å; L403-E424 HydrophobicContact CD1-CB 3.8Å; L403-E424 HydrophobicContact CD1-CG 3.67Å; L403-L425 HydrophobicContact CD1-CB 4.08Å; L403-L425 HydrophobicContact CD1-CD1 4.26Å; L403-L425 HydrophobicContact CG-CD1 4.43Å; L403-K430 HydrophobicContact CD2-CG 4Å; L403-I434 HydrophobicContact CD2-CD1 3.66Å; L403-I434 HydrophobicContact CG-CD1 3.68Å
404A98.4Very high96.2Very high31 Ų3151.7 Ų51.726%0.25627%0.268SS..EExtended strand (participates in β ladder)trans-90.4140.7171.900000110.9R392 V396 R421R392-A404 HydrophobicContact CG-CB 4.06Å; V396-A404 HydrophobicContact CG2-CB 4.02Å; A404-R421 WeakPolarHBondContact O-CD 3.38Å
405V98Very high96.2Very high2 Ų251.7 Ų51.71%0.01227%0.268CS..PPolyproline II helixtrans-73.3146.3161.3-56.50000110.3V380 A381 W382 E407 V413 E417 R421V380-V405 HydrophobicContact CG1-CG1 3.49Å; V380-V405 VanDerWaalsContact CG1-CG1 3.49Å; A381-V405 PolarHBondContact O-N 2.77Å; A381-V405 VanDerWaalsContact O-N 3.11Å; W382-V405 HydrophobicContact CB-CG1 4.05Å; W382-V405 HydrophobicContact CB-CG2 3.81Å; W382-V405 HydrophobicContact CD2-CG1 4.18Å; W382-V405 HydrophobicContact CD2-CG2 4.07Å; W382-V405 HydrophobicContact CE3-CG1 4.08Å; W382-V405 HydrophobicContact CG-CG1 4.2Å; W382-V405 HydrophobicContact CG-CG2 3.61Å; V405-E407 HydrophobicContact CG2-CG 4.19Å; V405-V413 HydrophobicContact CB-CG1 4.42Å; V405-V413 HydrophobicContact CG2-CG2 4.11Å; V405-E417 WeakPolarHBondContact CA-OE1 3.47Å; V405-E417 HydrophobicContact CB-CG 4.47Å; V405-R421 HydrophobicContact CG1-CG 4.39Å
406N95.9Very high96.2Very high101 Ų10154.9 Ų54.954%0.5429%0.287SS..PPolyproline II helixtrans-86.1124.6165-59.3-57.8000109.9E417 R421N406-E417 HydrophobicContact CB-CG 4.32Å; N406-E417 PolarHBondContact N-OE1 2.64Å; N406-E417 PolarHBondContact ND2-OE1 3.03Å; N406-E417 PolarHBondContact ND2-OE2 3.11Å; N406-E417 VanDerWaalsContact ND2-OE2 3.16Å; N406-R421 PolarHBondContact ND2-NH1 2.97Å
407E94.2Very high96.2Very high47 Ų4753.8 Ų53.822%0.2228%0.279CS..PPolyproline II helixtrans-103.3142.9175.8-63.3164.8-96.900109.7R389 R392 V405 F412 V413R389-E407 IonicContact NH2-OE2 2.89Å; R389-E407 PolarHBondContact NH2-OE2 2.96Å; R389-E407 VanDerWaalsContact NH2-OE2 3.11Å; R392-E407 IonicContact CZ-OE1 3.83Å; R392-E407 IonicContact NH1-OE1 3.1Å; R392-E407 PolarHBondContact NH1-OE1 3.37Å; V405-E407 HydrophobicContact CG2-CG 4.19Å; E407-F412 CarbonylContact C-O 3.53Å; E407-F412 WeakPolarHBondContact CA-O 3.45Å; E407-V413 HydrophobicContact CB-CG2 4.44Å; E407-V413 HydrophobicContact CG-CG2 3.81Å
408D92.9Very high96.2Very high101 Ų10148.9 Ų48.954%0.5426%0.256SS..PPolyproline II helixtrans-66.6169.6162.4-72.5-31.4000110.3D410 G411 F412D408-D410 WeakPolarHBondContact CB-OD1 3.22Å; D408-D410 PolarHBondContact O-N 3.4Å; D408-D410 VanDerWaalsContact O-N 3.07Å; D408-G411 PolarHBondContact O-N 3.08Å; D408-F412 HydrophobicContact CB-CB 4.25Å; D408-F412 PolarHBondContact N-O 3.01Å
409K87.1Confident96.3Very high227 Ų22751.1 Ų51.199%0.98726%0.263SS*.THydrogen-bonded Turntrans-58.6-26.2-175.1-70.1-176.4178.4178.70114.2
410D88.1Confident96.4Very high132 Ų13253.8 Ų53.871%0.70628%0.278SS*.THydrogen-bonded Turntrans-90.10.9177.562.5-8.1000113.4D408 F412D408-D410 WeakPolarHBondContact CB-OD1 3.22Å; D408-D410 PolarHBondContact O-N 3.4Å; D408-D410 VanDerWaalsContact O-N 3.07Å; D410-F412 WeakPolarHBondContact OD1-CB 3.32Å; D410-F412 PolarHBondContact OD1-N 3.21Å
411G90.7Very high96.4Very high24 Ų2450 Ų5025%0.24726%0.26CS..SBendtrans87.85.6-176.300000114D408D408-G411 PolarHBondContact O-N 3.08Å
412F96Very high96.4Very high55 Ų5550.1 Ų50.124%0.24126%0.26CS..  trans-71.9143.1178.4-168.9-99.6000111.7A289 Q290 E293 E407 D408 D410A289-F412 HydrophobicContact CB-CE2 4.32Å; Q290-F412 HydrophobicContact CB-CD2 4.45Å; Q290-F412 HydrophobicContact CB-CE2 4.32Å; Q290-F412 VanDerWaalsContact OE1-CD2 3.29Å; E293-F412 HydrophobicContact CB-CZ 4.22Å; E293-F412 HydrophobicContact CG-CE1 3.92Å; E293-F412 HydrophobicContact CG-CE2 4.35Å; E293-F412 HydrophobicContact CG-CZ 3.4Å; E293-F412 VanDerWaalsContact CG-CZ 3.4Å; E407-F412 CarbonylContact C-O 3.53Å; E407-F412 WeakPolarHBondContact CA-O 3.45Å; D408-F412 HydrophobicContact CB-CB 4.25Å; D408-F412 PolarHBondContact N-O 3.01Å; D410-F412 WeakPolarHBondContact OD1-CB 3.32Å; D410-F412 PolarHBondContact OD1-N 3.21Å
413V98.1Very high96.4Very high1 Ų154.8 Ų54.81%0.00628%0.277CS..  trans-126.4120.4175.9179.70000108.7Q290 W382 V405 E407 E417Q290-V413 PolarHBondContact NE2-O 3.38Å; W382-V413 HydrophobicContact CD2-CG2 4.3Å; W382-V413 VanDerWaalsContact CE2-CG2 3.43Å; W382-V413 HydrophobicContact CH2-CB 3.65Å; W382-V413 HydrophobicContact CH2-CG1 3.87Å; W382-V413 HydrophobicContact CH2-CG2 4.14Å; W382-V413 HydrophobicContact CZ2-CB 3.31Å; W382-V413 HydrophobicContact CZ2-CG1 3.97Å; W382-V413 HydrophobicContact CZ2-CG2 3.37Å; W382-V413 HydrophobicContact CZ3-CG1 4.33Å; V405-V413 HydrophobicContact CB-CG1 4.42Å; V405-V413 HydrophobicContact CG2-CG2 4.11Å; E407-V413 HydrophobicContact CB-CG2 4.44Å; E407-V413 HydrophobicContact CG-CG2 3.81Å; V413-E417 HydrophobicContact CG1-CB 3.97Å; V413-E417 HydrophobicContact CG1-CG 3.74Å
414S98.1Very high96.4Very high42 Ų4256.7 Ų56.729%0.29429%0.285SS..  trans-64.4152.1177.2730000112T416 E417 L418S414-T416 PolarHBondContact O-N 2.88Å; S414-E417 PolarHBondContact O-N 3.48Å; S414-E417 VanDerWaalsContact O-N 3.15Å; S414-E417 PolarHBondContact OG-N 2.94Å; S414-E417 VanDerWaalsContact OG-N 3.09Å; S414-L418 PolarHBondContact O-N 2.83Å; S414-L418 VanDerWaalsContact O-N 3.1Å
415G98.3Very high96.4Very high1 Ų155.2 Ų55.21%0.0127%0.273CS..Hα-helixtrans-60.6-29.417300000112.1E293 G297 R419E293-G415 WeakPolarHBondContact O-CA 3.12Å; E293-G415 WeakPolarHBondContact OE2-CA 3.46Å; E293-G415 PolarHBondContact OE2-N 3.02Å; G297-G415 WeakPolarHBondContact CA-O 3.28Å; G415-R419 WeakPolarHBondContact O-CB 3.4Å; G415-R419 PolarHBondContact O-N 3.23Å
416T98.6Very high96.4Very high67 Ų6756.4 Ų56.441%0.41128%0.279SS..Hα-helixtrans-63.2-48.1173.8-570000111.5S414 R419 D420S414-T416 PolarHBondContact O-N 2.88Å; T416-R419 WeakPolarHBondContact O-CB 3.39Å; T416-R419 PolarHBondContact O-N 2.78Å; T416-D420 WeakPolarHBondContact O-CB 3.41Å; T416-D420 PolarHBondContact O-N 3.16Å
417E98.6Very high96.5Very high25 Ų2555.8 Ų55.812%0.11728%0.276CS..Hα-helixtrans-62.3-46.1177.3170.962.2-159.200111.3V405 N406 V413 S414 R419 D420 R421V405-E417 WeakPolarHBondContact CA-OE1 3.47Å; V405-E417 HydrophobicContact CB-CG 4.47Å; N406-E417 HydrophobicContact CB-CG 4.32Å; N406-E417 PolarHBondContact N-OE1 2.64Å; N406-E417 PolarHBondContact ND2-OE1 3.03Å; N406-E417 PolarHBondContact ND2-OE2 3.11Å; N406-E417 VanDerWaalsContact ND2-OE2 3.16Å; V413-E417 HydrophobicContact CG1-CB 3.97Å; V413-E417 HydrophobicContact CG1-CG 3.74Å; S414-E417 PolarHBondContact O-N 3.48Å; S414-E417 VanDerWaalsContact O-N 3.15Å; S414-E417 PolarHBondContact OG-N 2.94Å; S414-E417 VanDerWaalsContact OG-N 3.09Å; E417-R419 PolarHBondContact O-N 3.4Å; E417-D420 PolarHBondContact O-N 2.97Å; E417-R421 VanDerWaalsContact CD-NH1 3.26Å; E417-R421 WeakPolarHBondContact O-CG 3.46Å; E417-R421 PolarHBondContact O-N 2.8Å; E417-R421 WeakPolarHBondContact OE1-CD 3.43Å; E417-R421 WeakPolarHBondContact OE1-CG 3.36Å; E417-R421 IonicContact OE1-CZ 3.99Å; E417-R421 IonicContact OE1-NH1 3.63Å; E417-R421 PolarHBondContact OE1-NH1 3.29Å; E417-R421 IonicContact OE2-NH1 3.96Å; E417-R421 PolarHBondContact OE2-NH1 3.42Å
418L98.7Very high96.7Very high1 Ų155.1 Ų55.11%0.00528%0.276CS..Hα-helixtrans-60.7-45.7177.2179.158.6000111.6L278 M294 L298 V361 W382 S414 D420 R421 V422L278-L418 HydrophobicContact CD2-CD2 4.44Å; M294-L418 HydrophobicContact CB-CD2 4.06Å; M294-L418 HydrophobicContact CG-CD2 4.15Å; L298-L418 HydrophobicContact CD2-CD2 4.46Å; L298-L418 HydrophobicContact CG-CD2 4.18Å; V361-L418 HydrophobicContact CG1-CD1 4.42Å; V361-L418 HydrophobicContact CG2-CD1 4.47Å; W382-L418 HydrophobicContact CE3-CD1 4.13Å; W382-L418 HydrophobicContact CZ3-CB 4.4Å; W382-L418 HydrophobicContact CZ3-CD1 3.69Å; W382-L418 HydrophobicContact CZ3-CD2 3.98Å; W382-L418 HydrophobicContact CZ3-CG 4.22Å; S414-L418 PolarHBondContact O-N 2.83Å; S414-L418 VanDerWaalsContact O-N 3.1Å; L418-D420 VanDerWaalsContact C-N 3.29Å; L418-D420 PolarHBondContact O-N 3.22Å; L418-R421 PolarHBondContact O-N 3.49Å; L418-V422 HydrophobicContact CD1-CG2 3.89Å; L418-V422 HydrophobicContact CG-CG2 4.36Å; L418-V422 WeakPolarHBondContact O-CB 3.45Å; L418-V422 VanDerWaalsContact O-CG2 3.28Å; L418-V422 WeakPolarHBondContact O-CG2 3.43Å; L418-V422 PolarHBondContact O-N 3.14Å
419R98.6Very high96.9Very high67 Ų6756.5 Ų56.525%0.25328%0.281SS..Hα-helixtrans-53.8-49.3175.7177.6-159.369.3-164.1-3.8110.7K300 G415 T416 E417 V422 R423K300-R419 HydrophobicContact CB-CG 4.2Å; G415-R419 WeakPolarHBondContact O-CB 3.4Å; G415-R419 PolarHBondContact O-N 3.23Å; T416-R419 WeakPolarHBondContact O-CB 3.39Å; T416-R419 PolarHBondContact O-N 2.78Å; E417-R419 PolarHBondContact O-N 3.4Å; R419-V422 PolarHBondContact O-N 2.9Å; R419-R423 WeakPolarHBondContact O-CB 3.28Å; R419-R423 WeakPolarHBondContact O-CG 3.36Å; R419-R423 PolarHBondContact O-N 3.24Å
420D98.7Very high97.5Very high57 Ų5750.1 Ų50.131%0.30525%0.253SS..Hα-helixtrans-67.9-43.9-173.7-69-14.7000111.4T416 E417 L418 V422 R423 E424T416-D420 WeakPolarHBondContact O-CB 3.41Å; T416-D420 PolarHBondContact O-N 3.16Å; E417-D420 PolarHBondContact O-N 2.97Å; L418-D420 VanDerWaalsContact C-N 3.29Å; L418-D420 PolarHBondContact O-N 3.22Å; D420-V422 PolarHBondContact O-N 3.13Å; D420-R423 PolarHBondContact O-N 2.77Å; D420-E424 WeakPolarHBondContact O-CB 3.5Å; D420-E424 PolarHBondContact O-N 3.28Å
421R98.8Very high98Very high48 Ų4843.9 Ų43.918%0.18122%0.22CC..Hα-helixtrans-64.4-40.5175.7-66-68.191.183.9-4.3112.8V380 A404 V405 N406 E417 L418 E424 L425V380-R421 HydrophobicContact CG1-CB 3.95Å; V380-R421 HydrophobicContact CG2-CB 4.26Å; A404-R421 WeakPolarHBondContact O-CD 3.38Å; V405-R421 HydrophobicContact CG1-CG 4.39Å; N406-R421 PolarHBondContact ND2-NH1 2.97Å; E417-R421 VanDerWaalsContact CD-NH1 3.26Å; E417-R421 WeakPolarHBondContact O-CG 3.46Å; E417-R421 PolarHBondContact O-N 2.8Å; E417-R421 WeakPolarHBondContact OE1-CD 3.43Å; E417-R421 WeakPolarHBondContact OE1-CG 3.36Å; E417-R421 IonicContact OE1-CZ 3.99Å; E417-R421 IonicContact OE1-NH1 3.63Å; E417-R421 PolarHBondContact OE1-NH1 3.29Å; E417-R421 IonicContact OE2-NH1 3.96Å; E417-R421 PolarHBondContact OE2-NH1 3.42Å; L418-R421 PolarHBondContact O-N 3.49Å; R421-E424 IonicContact CZ-OE2 3.65Å; R421-E424 VanDerWaalsContact CZ-OE2 3.26Å; R421-E424 IonicContact NE-OE2 3.43Å; R421-E424 PolarHBondContact NE-OE2 3.4Å; R421-E424 IonicContact NH2-OE2 2.99Å; R421-E424 PolarHBondContact NH2-OE2 2.92Å; R421-E424 PolarHBondContact O-N 3.04Å; R421-L425 WeakPolarHBondContact O-CB 3.49Å; R421-L425 PolarHBondContact O-N 3.29Å
422V98.8Very high98.3Very high2 Ų248.6 Ų48.61%0.01223%0.234CC..Hα-helixtrans-63-48.4176.31640000110.7V276 Q303 V361 L418 R419 D420 L425 M426V276-V422 HydrophobicContact CG2-CG1 4.2Å; Q303-V422 HydrophobicContact CB-CG1 3.86Å; Q303-V422 HydrophobicContact CG-CG1 3.73Å; V361-V422 HydrophobicContact CG2-CG2 4.13Å; L418-V422 HydrophobicContact CD1-CG2 3.89Å; L418-V422 HydrophobicContact CG-CG2 4.36Å; L418-V422 WeakPolarHBondContact O-CB 3.45Å; L418-V422 VanDerWaalsContact O-CG2 3.28Å; L418-V422 WeakPolarHBondContact O-CG2 3.43Å; L418-V422 PolarHBondContact O-N 3.14Å; R419-V422 PolarHBondContact O-N 2.9Å; D420-V422 PolarHBondContact O-N 3.13Å; V422-L425 PolarHBondContact O-N 3.45Å; V422-M426 VanDerWaalsContact O-CG 3.25Å; V422-M426 WeakPolarHBondContact O-CG 3.43Å; V422-M426 PolarHBondContact O-N 3.12Å; V422-M426 VanDerWaalsContact O-N 3.13Å
423R98.6Very high98.5Very high103 Ų10351.1 Ų51.139%0.38925%0.246SC..Hα-helixtrans-65-40.7177-71.8-178.6681363.1112.3S301 E302 R419 D420 L425 M426 D427S301-R423 WeakPolarHBondContact O-CG 3.49Å; E302-R423 IonicContact OE2-NH1 2.92Å; R419-R423 WeakPolarHBondContact O-CB 3.28Å; R419-R423 WeakPolarHBondContact O-CG 3.36Å; R419-R423 PolarHBondContact O-N 3.24Å; D420-R423 PolarHBondContact O-N 2.77Å; R423-L425 VanDerWaalsContact C-N 3.35Å; R423-L425 PolarHBondContact O-N 3Å; R423-M426 PolarHBondContact O-N 3.34Å; R423-D427 WeakPolarHBondContact O-CB 3.42Å; R423-D427 PolarHBondContact O-N 2.88Å
424E98.7Very high98.5Very high56 Ų5651.2 Ų51.226%0.26225%0.247SC..Hα-helixtrans-62.1-42.8177.8-172.3179.8-178.400111.3L403 D420 R421 M426 S428L403-E424 HydrophobicContact CD1-CB 3.8Å; L403-E424 HydrophobicContact CD1-CG 3.67Å; D420-E424 WeakPolarHBondContact O-CB 3.5Å; D420-E424 PolarHBondContact O-N 3.28Å; R421-E424 IonicContact CZ-OE2 3.65Å; R421-E424 VanDerWaalsContact CZ-OE2 3.26Å; R421-E424 IonicContact NE-OE2 3.43Å; R421-E424 PolarHBondContact NE-OE2 3.4Å; R421-E424 IonicContact NH2-OE2 2.99Å; R421-E424 PolarHBondContact NH2-OE2 2.92Å; R421-E424 PolarHBondContact O-N 3.04Å; E424-M426 VanDerWaalsContact C-N 3.34Å; E424-M426 PolarHBondContact O-N 3.31Å; E424-S428 WeakPolarHBondContact O-CB 3.03Å; E424-S428 PolarHBondContact O-N 2.84Å; E424-S428 PolarHBondContact O-OG 2.7Å
425L98.8Very high98.5Very high1 Ų151.4 Ų51.41%0.00524%0.241CC..Hα-helixtrans-64.3-39.4176.9-168.670.3000112.4P378 V380 L403 R421 V422 R423 G431 I434P378-L425 HydrophobicContact CB-CD1 3.96Å; P378-L425 HydrophobicContact CB-CG 4.48Å; P378-L425 HydrophobicContact CG-CD1 4.47Å; P378-L425 HydrophobicContact CG-CG 4.48Å; V380-L425 HydrophobicContact CG2-CB 4.19Å; V380-L425 HydrophobicContact CG2-CD2 3.84Å; V380-L425 HydrophobicContact CG2-CG 4.49Å; L403-L425 HydrophobicContact CD1-CB 4.08Å; L403-L425 HydrophobicContact CD1-CD1 4.26Å; L403-L425 HydrophobicContact CG-CD1 4.43Å; R421-L425 WeakPolarHBondContact O-CB 3.49Å; R421-L425 PolarHBondContact O-N 3.29Å; V422-L425 PolarHBondContact O-N 3.45Å; R423-L425 VanDerWaalsContact C-N 3.35Å; R423-L425 PolarHBondContact O-N 3Å; L425-G431 VanDerWaalsContact O-CA 3.24Å; L425-G431 WeakPolarHBondContact O-CA 3.44Å; L425-I434 HydrophobicContact CD1-CD1 4.38Å; L425-I434 HydrophobicContact CD1-CG2 4.28Å
426M98.6Very high98.5Very high26 Ų2656.2 Ų56.213%0.12826%0.264CS..Hα-helixtrans-86.6-41.9-171.4-63.5-55.6-74.100113.4Q273 V276 Q303 V422 R423 E424Q273-M426 WeakPolarHBondContact O-CE 3.26Å; V276-M426 HydrophobicContact CG2-CE 3.99Å; V276-M426 HydrophobicContact CG2-CG 3.53Å; V276-M426 HydrophobicContact CG2-SD 3.49Å; V276-M426 WeakPolarHBondContact CG2-SD 3.22Å; Q303-M426 HydrophobicContact CG-CB 4.3Å; Q303-M426 HydrophobicContact CG-CG 4.26Å; V422-M426 VanDerWaalsContact O-CG 3.25Å; V422-M426 WeakPolarHBondContact O-CG 3.43Å; V422-M426 PolarHBondContact O-N 3.12Å; V422-M426 VanDerWaalsContact O-N 3.13Å; R423-M426 PolarHBondContact O-N 3.34Å; E424-M426 VanDerWaalsContact C-N 3.34Å; E424-M426 PolarHBondContact O-N 3.31Å
427D97.6Very high98.5Very high89 Ų8957.4 Ų57.448%0.47626%0.26SS..Hα-helixtrans-109.2-19.8-166-55.9-32.7000113.7Q303 R423Q303-D427 PolarHBondContact NE2-OD1 3.3Å; Q303-D427 PolarHBondContact NE2-OD2 3.39Å; R423-D427 WeakPolarHBondContact O-CB 3.42Å; R423-D427 PolarHBondContact O-N 2.88Å
428S98.1Very high98.5Very high33 Ų3356.2 Ų56.223%0.23126%0.255CS..SBendtrans-87.7163.2-170.485.90000113.8E424 K430 G431 K432E424-S428 WeakPolarHBondContact O-CB 3.03Å; E424-S428 PolarHBondContact O-N 2.84Å; E424-S428 PolarHBondContact O-OG 2.7Å; S428-K430 PolarHBondContact O-N 3.46Å; S428-K430 WeakPolarHBondContact OG-CB 3.32Å; S428-K430 PolarHBondContact OG-N 3.45Å; S428-K430 VanDerWaalsContact OG-N 3.12Å; S428-G431 PolarHBondContact O-N 2.83Å; S428-G431 PolarHBondContact OG-N 2.92Å; S428-K432 PolarHBondContact O-N 3.27Å; S428-K432 VanDerWaalsContact O-N 3.16Å
429M98.2Very high98.5Very high130 Ų13061.1 Ų61.164%0.6428%0.276SS*.Hα-helixtrans-60-34.6168.7-70.8-55.4-59.200112K432 E433M429-K432 WeakPolarHBondContact O-CB 3.34Å; M429-K432 PolarHBondContact O-N 3.49Å; M429-K432 HydrophobicContact SD-CD 3.98Å; M429-E433 PolarHBondContact O-N 3.19Å
430K98.3Very high98.5Very high92 Ų9262.1 Ų62.140%0.428%0.284SS..Hα-helixtrans-64.7-41.9177.2-172.459.7-179.4175.40111.7L403 S428 K432 E433 I434L403-K430 HydrophobicContact CD2-CG 4Å; S428-K430 PolarHBondContact O-N 3.46Å; S428-K430 WeakPolarHBondContact OG-CB 3.32Å; S428-K430 PolarHBondContact OG-N 3.45Å; S428-K430 VanDerWaalsContact OG-N 3.12Å; K430-K432 VanDerWaalsContact C-N 3.31Å; K430-K432 PolarHBondContact O-N 3.41Å; K430-E433 WeakPolarHBondContact CD-OE2 3.24Å; K430-E433 IonicContact NZ-OE2 3.03Å; K430-E433 PolarHBondContact NZ-OE2 3Å; K430-E433 WeakPolarHBondContact O-CB 3.16Å; K430-E433 PolarHBondContact O-N 2.91Å; K430-I434 HydrophobicContact CG-CD1 4.25Å; K430-I434 WeakPolarHBondContact O-CG1 3.27Å; K430-I434 PolarHBondContact O-N 3.37Å
431G98.6Very high98.5Very high1 Ų159.6 Ų59.61%0.0127%0.27CS..Hα-helixtrans-58.6-41.1173.200000112.7L425 S428 I434 R435L425-G431 VanDerWaalsContact O-CA 3.24Å; L425-G431 WeakPolarHBondContact O-CA 3.44Å; S428-G431 PolarHBondContact O-N 2.83Å; S428-G431 PolarHBondContact OG-N 2.92Å; G431-I434 PolarHBondContact O-N 2.92Å; G431-R435 WeakPolarHBondContact O-CB 3Å; G431-R435 PolarHBondContact O-N 2.86Å
432K98.3Very high98.4Very high124 Ų12460.4 Ų60.454%0.53928%0.275SS..Hα-helixtrans-64.4-42175.3-66.4177.5-174.5175.90112.8S428 M429 K430 I434 R435 Q436S428-K432 PolarHBondContact O-N 3.27Å; S428-K432 VanDerWaalsContact O-N 3.16Å; M429-K432 WeakPolarHBondContact O-CB 3.34Å; M429-K432 PolarHBondContact O-N 3.49Å; M429-K432 HydrophobicContact SD-CD 3.98Å; K430-K432 VanDerWaalsContact C-N 3.31Å; K430-K432 PolarHBondContact O-N 3.41Å; K432-I434 VanDerWaalsContact C-N 3.35Å; K432-R435 PolarHBondContact O-N 3.33Å; K432-Q436 PolarHBondContact O-N 2.83Å
433E98.6Very high98.4Very high107 Ų10763.7 Ų63.750%0.529%0.292SS..Hα-helixtrans-59.2-46.3174-69.8172.7-173.100111.6M429 K430 R435 Q436 R437M429-E433 PolarHBondContact O-N 3.19Å; K430-E433 WeakPolarHBondContact CD-OE2 3.24Å; K430-E433 IonicContact NZ-OE2 3.03Å; K430-E433 PolarHBondContact NZ-OE2 3Å; K430-E433 WeakPolarHBondContact O-CB 3.16Å; K430-E433 PolarHBondContact O-N 2.91Å; E433-R435 VanDerWaalsContact C-N 3.33Å; E433-R435 PolarHBondContact O-N 2.96Å; E433-Q436 PolarHBondContact O-N 2.65Å; E433-R437 WeakPolarHBondContact O-CB 3.44Å; E433-R437 PolarHBondContact O-N 3.13Å
434I98.8Very high98.4Very high4 Ų459.4 Ų59.42%0.02128%0.279CS..Hα-helixtrans-62.4-42.8179-68.9171.7000110.4P378 V401 L403 L425 K430 G431 K432 R437 V438P378-I434 HydrophobicContact CB-CB 4.49Å; P378-I434 HydrophobicContact CB-CG2 3.6Å; V401-I434 WeakPolarHBondContact O-CG2 3.48Å; L403-I434 HydrophobicContact CD2-CD1 3.66Å; L403-I434 HydrophobicContact CG-CD1 3.68Å; L425-I434 HydrophobicContact CD1-CD1 4.38Å; L425-I434 HydrophobicContact CD1-CG2 4.28Å; K430-I434 HydrophobicContact CG-CD1 4.25Å; K430-I434 WeakPolarHBondContact O-CG1 3.27Å; K430-I434 PolarHBondContact O-N 3.37Å; G431-I434 PolarHBondContact O-N 2.92Å; K432-I434 VanDerWaalsContact C-N 3.35Å; I434-R437 PolarHBondContact O-N 3.27Å; I434-V438 PolarHBondContact O-N 3.2Å
435R98.6Very high98.3Very high46 Ų4656.8 Ų56.817%0.17427%0.268CS..Hα-helixtrans-60.8-44.4176.5-170.2179.9-57.4-71.6-10112.1G358 P378 G431 K432 E433 R437 V438 F439G358-R435 PolarHBondContact O-NH1 2.93Å; G358-R435 PolarHBondContact O-NH2 2.83Å; P378-R435 HydrophobicContact CG-CB 4.3Å; P378-R435 HydrophobicContact CG-CG 4.42Å; G431-R435 WeakPolarHBondContact O-CB 3Å; G431-R435 PolarHBondContact O-N 2.86Å; K432-R435 PolarHBondContact O-N 3.33Å; E433-R435 VanDerWaalsContact C-N 3.33Å; E433-R435 PolarHBondContact O-N 2.96Å; R435-R437 VanDerWaalsContact C-N 3.34Å; R435-V438 VanDerWaalsContact O-CG1 3.29Å; R435-V438 WeakPolarHBondContact O-CG1 3.34Å; R435-F439 WeakPolarHBondContact O-CB 3.42Å; R435-F439 PolarHBondContact O-N 3.48Å
436Q98.5Very high98.2Very high102 Ų10264.9 Ų64.948%0.47730%0.303SS..Hα-helixtrans-62.1-44174.9-179.957.436.300111.1K432 E433 F439 E440K432-Q436 PolarHBondContact O-N 2.83Å; E433-Q436 PolarHBondContact O-N 2.65Å; Q436-F439 PolarHBondContact O-N 3.14Å; Q436-E440 PolarHBondContact NE2-OE1 2.76Å; Q436-E440 PolarHBondContact O-N 3.27Å
437R98.4Very high98.1Very high91 Ų9170.5 Ų70.534%0.34333%0.327SS..Hα-helixtrans-62.6-46179.9179.856.4179.8165.43.1112.8M399 K400 V401 E433 I434 R435 F439 E440 M441M399-R437 WeakPolarHBondContact O-CG 3.22Å; M399-R437 PolarHBondContact O-NE 2.93Å; K400-R437 HydrophobicContact CB-CG 4.33Å; K400-R437 WeakPolarHBondContact O-CG 3.47Å; V401-R437 HydrophobicContact CG1-CG 4.07Å; E433-R437 WeakPolarHBondContact O-CB 3.44Å; E433-R437 PolarHBondContact O-N 3.13Å; I434-R437 PolarHBondContact O-N 3.27Å; R435-R437 VanDerWaalsContact C-N 3.34Å; R437-F439 VanDerWaalsContact C-N 3.3Å; R437-F439 PolarHBondContact O-N 2.67Å; R437-E440 IonicContact NH1-OE2 3.42Å; R437-E440 PolarHBondContact O-N 3.01Å; R437-M441 PolarHBondContact O-N 3.05Å; R437-M441 VanDerWaalsContact O-N 3.08Å
438V98.5Very high98.1Very high0 Ų066.4 Ų66.40%031%0.305CS..Hα-helixtrans-68.8-31.2178.572.20000111.5V373 G376 P378 V401 I434 R435 M441 K442V373-V438 HydrophobicContact CG2-CG2 4.32Å; G376-V438 VanDerWaalsContact O-CG1 3.31Å; G376-V438 WeakPolarHBondContact O-CG1 3.31Å; P378-V438 HydrophobicContact CB-CG1 4.24Å; V401-V438 HydrophobicContact CB-CB 4.32Å; V401-V438 HydrophobicContact CB-CG2 4.44Å; V401-V438 HydrophobicContact CG1-CB 4.03Å; V401-V438 HydrophobicContact CG1-CG2 4.28Å; I434-V438 PolarHBondContact O-N 3.2Å; R435-V438 VanDerWaalsContact O-CG1 3.29Å; R435-V438 WeakPolarHBondContact O-CG1 3.34Å; V438-M441 CarbonylContact O-C 3.49Å; V438-M441 PolarHBondContact O-N 3.49Å; V438-K442 PolarHBondContact O-N 2.94Å
439F98.3Very high98Very high105 Ų10569.3 Ų69.346%0.46131%0.314SS..Hα-helixtrans-65.7-42.7174-178.9-101.5000112.5R435 Q436 R437 M441 K442 I443R435-F439 WeakPolarHBondContact O-CB 3.42Å; R435-F439 PolarHBondContact O-N 3.48Å; Q436-F439 PolarHBondContact O-N 3.14Å; R437-F439 VanDerWaalsContact C-N 3.3Å; R437-F439 PolarHBondContact O-N 2.67Å; F439-M441 VanDerWaalsContact C-N 3.29Å; F439-M441 PolarHBondContact O-N 3.06Å; F439-K442 WeakPolarHBondContact O-CB 3.42Å; F439-K442 PolarHBondContact O-N 2.79Å; F439-I443 HydrophobicContact CD1-CD1 3.94Å; F439-I443 HydrophobicContact CE1-CD1 3.46Å; F439-I443 VanDerWaalsContact CE1-CD1 3.46Å; F439-I443 HydrophobicContact CE1-CG1 4.41Å; F439-I443 HydrophobicContact CZ-CD1 3.88Å; F439-I443 PolarHBondContact O-N 2.95Å; F439-I443 VanDerWaalsContact O-N 3.11Å
440E98.3Very high97.8Very high88 Ų8865.4 Ų65.441%0.41130%0.302SS..Hα-helixtrans-60.3-41.6171.9-71.9166.4-167.300111.5Q436 R437 I443 G444Q436-E440 PolarHBondContact NE2-OE1 2.76Å; Q436-E440 PolarHBondContact O-N 3.27Å; R437-E440 IonicContact NH1-OE2 3.42Å; R437-E440 PolarHBondContact O-N 3.01Å; E440-I443 PolarHBondContact O-N 2.91Å; E440-G444 PolarHBondContact O-N 3.32Å
441M98.3Very high97.4Very high3 Ų369.2 Ų69.22%0.01532%0.321CS..Hα-helixtrans-66.4-37.1177.3-163.6176.7-77.900112.1I221 V373 M399 V401 R437 V438 F439 I443 G444 A445I221-M441 HydrophobicContact CB-SD 4.26Å; I221-M441 HydrophobicContact CG1-CG 3.93Å; I221-M441 HydrophobicContact CG1-SD 4.02Å; I221-M441 HydrophobicContact CG2-SD 4.08Å; V373-M441 HydrophobicContact CG1-CB 4.14Å; V373-M441 HydrophobicContact CG1-CG 3.55Å; V373-M441 HydrophobicContact CG1-SD 3.68Å; V373-M441 HydrophobicContact CG2-SD 3.92Å; M399-M441 HydrophobicContact CB-CE 3.96Å; M399-M441 HydrophobicContact CE-CE 4.11Å; M399-M441 HydrophobicContact CE-SD 3.61Å; M399-M441 HydrophobicContact CG-CE 4.25Å; V401-M441 HydrophobicContact CG1-CE 4.05Å; V401-M441 HydrophobicContact CG1-SD 4.15Å; R437-M441 PolarHBondContact O-N 3.05Å; R437-M441 VanDerWaalsContact O-N 3.08Å; V438-M441 CarbonylContact O-C 3.49Å; V438-M441 PolarHBondContact O-N 3.49Å; F439-M441 VanDerWaalsContact C-N 3.29Å; F439-M441 PolarHBondContact O-N 3.06Å; M441-I443 PolarHBondContact O-N 2.92Å; M441-G444 PolarHBondContact O-N 3.41Å; M441-A445 VanDerWaalsContact O-CB 3.31Å; M441-A445 WeakPolarHBondContact O-CB 3.33Å; M441-A445 PolarHBondContact O-N 3.13Å
442K97.8Very high97.1Very high66 Ų6677.3 Ų77.329%0.28736%0.359SS..Hα-helixtrans-56-49.5170.9175.4174.7-166.8158.40111.2V373 C374 E375 V438 F439 G444 A445 K446V373-K442 WeakPolarHBondContact O-CA 3.41Å; V373-K442 WeakPolarHBondContact O-CB 3.49Å; C374-K442 WeakPolarHBondContact O-CD 3.38Å; C374-K442 WeakPolarHBondContact O-CE 3.38Å; C374-K442 WeakPolarHBondContact O-CG 3.49Å; E375-K442 VanDerWaalsContact C-NZ 3.32Å; E375-K442 PolarHBondContact O-NZ 3.46Å; E375-K442 IonicContact OE2-NZ 2.96Å; E375-K442 PolarHBondContact OE2-NZ 3.46Å; E375-K442 VanDerWaalsContact OE2-NZ 3.14Å; V438-K442 PolarHBondContact O-N 2.94Å; F439-K442 WeakPolarHBondContact O-CB 3.42Å; F439-K442 PolarHBondContact O-N 2.79Å; K442-G444 VanDerWaalsContact C-N 3.34Å; K442-G444 PolarHBondContact O-N 2.99Å; K442-A445 PolarHBondContact O-N 3.21Å; K442-K446 PolarHBondContact O-N 3.18Å
443I98.3Very high97Very high71 Ų7171.9 Ų71.936%0.36434%0.337SS..Hα-helixtrans-61.8-45.6178.2-66.2167.9000110.3F439 E440 M441 K446 K447F439-I443 HydrophobicContact CD1-CD1 3.94Å; F439-I443 HydrophobicContact CE1-CD1 3.46Å; F439-I443 VanDerWaalsContact CE1-CD1 3.46Å; F439-I443 HydrophobicContact CE1-CG1 4.41Å; F439-I443 HydrophobicContact CZ-CD1 3.88Å; F439-I443 PolarHBondContact O-N 2.95Å; F439-I443 VanDerWaalsContact O-N 3.11Å; E440-I443 PolarHBondContact O-N 2.91Å; M441-I443 PolarHBondContact O-N 2.92Å; I443-K446 PolarHBondContact O-N 3.04Å; I443-K447 HydrophobicContact CG2-CD 4.24Å; I443-K447 WeakPolarHBondContact O-CG 3.06Å; I443-K447 PolarHBondContact O-N 2.98Å
444G98Very high97Very high12 Ų1268.1 Ų68.112%0.12432%0.323CS..Hα-helixtrans-58.9-50.3176.900000112.3E440 M441 K442 K446 K447 A448E440-G444 PolarHBondContact O-N 3.32Å; M441-G444 PolarHBondContact O-N 3.41Å; K442-G444 VanDerWaalsContact C-N 3.34Å; K442-G444 PolarHBondContact O-N 2.99Å; G444-K446 VanDerWaalsContact C-N 3.28Å; G444-K446 PolarHBondContact O-N 3.17Å; G444-K447 CarbonylContact O-C 3.43Å; G444-K447 WeakPolarHBondContact O-CB 3.17Å; G444-K447 PolarHBondContact O-N 3.26Å; G444-K447 VanDerWaalsContact O-N 3.07Å; G444-A448 PolarHBondContact O-N 3.2Å
445A97Very high96.9Very high2 Ų268.1 Ų68.12%0.01732%0.324CS..Hα-helixtrans-58.6-38.8178.300000112.4I221 P249 M441 K442 A448I221-A445 HydrophobicContact CD1-CB 4.42Å; P249-A445 HydrophobicContact CG-CB 4Å; M441-A445 VanDerWaalsContact O-CB 3.31Å; M441-A445 WeakPolarHBondContact O-CB 3.33Å; M441-A445 PolarHBondContact O-N 3.13Å; K442-A445 PolarHBondContact O-N 3.21Å; A445-A448 PolarHBondContact O-N 3.38Å
446K96.6Very high96.8Very high170 Ų17066.9 Ų66.974%0.73932%0.32SS*.Hα-helixtrans-64.9-43.6173.6-174176179.2178.30112K442 I443 G444 A448 K449 A450K442-K446 PolarHBondContact O-N 3.18Å; I443-K446 PolarHBondContact O-N 3.04Å; G444-K446 VanDerWaalsContact C-N 3.28Å; G444-K446 PolarHBondContact O-N 3.17Å; K446-A448 VanDerWaalsContact C-N 3.35Å; K446-K449 PolarHBondContact O-N 3.41Å; K446-A450 PolarHBondContact O-N 2.89Å
447K97.5Very high96.7Very high145 Ų14564.7 Ų64.763%0.6331%0.314SS*.Hα-helixtrans-64.7-37.3176.3-72.3177.5179-178.50112.2I443 G444 K449 A450 G453I443-K447 HydrophobicContact CG2-CD 4.24Å; I443-K447 WeakPolarHBondContact O-CG 3.06Å; I443-K447 PolarHBondContact O-N 2.98Å; G444-K447 CarbonylContact O-C 3.43Å; G444-K447 WeakPolarHBondContact O-CB 3.17Å; G444-K447 PolarHBondContact O-N 3.26Å; G444-K447 VanDerWaalsContact O-N 3.07Å; K447-K449 PolarHBondContact O-N 2.99Å; K447-A450 WeakPolarHBondContact O-CB 3.41Å; K447-A450 PolarHBondContact O-N 2.88Å; K447-G453 WeakPolarHBondContact O-CA 3.39Å
448A97.4Very high96.7Very high3 Ų360.5 Ų60.53%0.02530%0.298CS..Hα-helixtrans-60.2-28.8179.100000113.1C218 P220 G444 A445 K446 G453 S454 S455 L456C218-A448 HydrophobicContact CB-CB 3.84Å; P220-A448 HydrophobicContact CG-CB 4.38Å; G444-A448 PolarHBondContact O-N 3.2Å; A445-A448 PolarHBondContact O-N 3.38Å; K446-A448 VanDerWaalsContact C-N 3.35Å; A448-G453 CarbonylContact O-C 3.56Å; A448-G453 WeakPolarHBondContact O-CA 3.41Å; A448-S454 WeakPolarHBondContact CB-OG 3.23Å; A448-S454 PolarHBondContact O-N 2.83Å; A448-S455 WeakPolarHBondContact O-CB 3.43Å; A448-S455 PolarHBondContact O-N 2.95Å; A448-S455 PolarHBondContact O-OG 3.48Å; A448-L456 PolarHBondContact O-N 2.92Å
449K94.8Very high96.6Very high94 Ų9460.7 Ų60.741%0.40930%0.299SS..THydrogen-bonded Turntrans-91.8-7.5177-63.5-179.665.3163.70114.3P249 K446 K447P249-K449 WeakPolarHBondContact O-CD 3.19Å; P249-K449 PolarHBondContact O-NZ 3.43Å; K446-K449 PolarHBondContact O-N 3.41Å; K447-K449 PolarHBondContact O-N 2.99Å
450A94.3Very high96.5Very high47 Ų4760.2 Ų60.239%0.38830%0.298SS..SBendtrans-78175.3178.700000111.1K446 K447 E452 G453K446-A450 PolarHBondContact O-N 2.89Å; K447-A450 WeakPolarHBondContact O-CB 3.41Å; K447-A450 PolarHBondContact O-N 2.88Å; A450-E452 PolarHBondContact O-N 3.45Å; A450-G453 WeakPolarHBondContact O-CA 3.36Å; A450-G453 PolarHBondContact O-N 3.35Å
451E91.3Very high96.4Very high173 Ų17361.8 Ų61.881%0.80830%0.301SS*.THydrogen-bonded Turntrans-53.7136.4169.9-163.1169.4-167.500110G453E451-G453 PolarHBondContact O-N 3.01Å
452E91.9Very high96.3Very high171 Ų17161.7 Ų61.780%0.79930%0.3SS*.THydrogen-bonded Turntrans61.43.5-173.1-52.4179.6172.700115.7A450A450-E452 PolarHBondContact O-N 3.45Å
453G96.8Very high96.2Very high9 Ų959 Ų599%0.09329%0.289CS..  trans-66.7147.8176.200000112.7K447 A448 A450 E451 S455 L456 V457K447-G453 WeakPolarHBondContact O-CA 3.39Å; A448-G453 CarbonylContact O-C 3.56Å; A448-G453 WeakPolarHBondContact O-CA 3.41Å; A450-G453 WeakPolarHBondContact O-CA 3.36Å; A450-G453 PolarHBondContact O-N 3.35Å; E451-G453 PolarHBondContact O-N 3.01Å; G453-S455 PolarHBondContact O-N 2.98Å; G453-S455 VanDerWaalsContact O-N 3.09Å; G453-L456 PolarHBondContact O-N 3.48Å; G453-V457 WeakPolarHBondContact O-CG2 3.23Å; G453-V457 PolarHBondContact O-N 2.73Å
454S97.1Very high96Very high29 Ų2961.5 Ų61.520%0.20330%0.299CS..Hα-helixtrans-51.3-39.2-175.360.10000113.6D219 A448 A458D219-S454 VanDerWaalsContact OD2-CB 3.29Å; D219-S454 WeakPolarHBondContact OD2-CB 3.33Å; A448-S454 WeakPolarHBondContact CB-OG 3.23Å; A448-S454 PolarHBondContact O-N 2.83Å; S454-A458 WeakPolarHBondContact O-CB 3.1Å; S454-A458 PolarHBondContact O-N 3.44Å
455S97.5Very high95.8Very high4 Ų463.3 Ų63.33%0.02831%0.306CS..Hα-helixtrans-72.7-39.4-178.8-520000112C218 G248 A448 G453 A458 F459C218-S455 WeakPolarHBondContact CB-OG 3.21Å; G248-S455 VanDerWaalsContact O-CB 3.25Å; G248-S455 WeakPolarHBondContact O-CB 3.39Å; G248-S455 PolarHBondContact O-OG 3.15Å; A448-S455 WeakPolarHBondContact O-CB 3.43Å; A448-S455 PolarHBondContact O-N 2.95Å; A448-S455 PolarHBondContact O-OG 3.48Å; G453-S455 PolarHBondContact O-N 2.98Å; G453-S455 VanDerWaalsContact O-N 3.09Å; S455-A458 PolarHBondContact O-N 2.69Å; S455-F459 WeakPolarHBondContact O-CB 3.39Å; S455-F459 PolarHBondContact O-N 2.99Å
456L96.4Very high95.6Very high20 Ų2063.4 Ų63.411%0.10531%0.306CS..Hα-helixtrans-69.9-37.7176.4-17359.2000111.1A448 G453 F459 Q460A448-L456 PolarHBondContact O-N 2.92Å; G453-L456 PolarHBondContact O-N 3.48Å; L456-F459 HydrophobicContact CD1-CD1 4.19Å; L456-F459 WeakPolarHBondContact O-CB 3.12Å; L456-F459 PolarHBondContact O-N 3.14Å; L456-Q460 WeakPolarHBondContact O-CB 3.09Å; L456-Q460 VanDerWaalsContact O-CG 3.27Å; L456-Q460 WeakPolarHBondContact O-CG 3.42Å; L456-Q460 PolarHBondContact O-N 3.28Å
457V97.1Very high95.1Very high56 Ų5659.9 Ų59.934%0.33930%0.295SS..Hα-helixtrans-63.1-43.4172.7172.10000111.2G453 F459 Q460 R461G453-V457 WeakPolarHBondContact O-CG2 3.23Å; G453-V457 PolarHBondContact O-N 2.73Å; V457-F459 VanDerWaalsContact C-N 3.34Å; V457-Q460 PolarHBondContact O-N 3.49Å; V457-R461 WeakPolarHBondContact O-CG 3.49Å; V457-R461 PolarHBondContact O-N 2.74Å; V457-R461 VanDerWaalsContact O-N 3.15Å
458A97.2Very high94.3Very high2 Ų262.1 Ų62.12%0.01731%0.308CS..Hα-helixtrans-61.8-42.217300000112C246 I247 S454 S455 R461 L462C246-A458 VanDerWaalsContact O-CB 3.26Å; C246-A458 WeakPolarHBondContact O-CB 3.42Å; I247-A458 HydrophobicContact CG2-CB 4.17Å; S454-A458 WeakPolarHBondContact O-CB 3.1Å; S454-A458 PolarHBondContact O-N 3.44Å; S455-A458 PolarHBondContact O-N 2.69Å; A458-R461 PolarHBondContact O-N 3.22Å; A458-L462 PolarHBondContact O-N 3.17Å; A458-L462 VanDerWaalsContact O-N 3.08Å
459F97.2Very high94.1Very high4 Ų465.1 Ų65.12%0.01832%0.322CS..Hα-helixtrans-63.9-41.7176.6178.5-97.2000112.5I26 H29 Q30 I247 S455 L456 V457 R461 L462 V463 W466I26-F459 HydrophobicContact CB-CZ 4.48Å; I26-F459 HydrophobicContact CG1-CE2 3.89Å; I26-F459 HydrophobicContact CG1-CZ 4.32Å; H29-F459 HydrophobicContact CB-CD1 4.11Å; H29-F459 HydrophobicContact CB-CE1 3.42Å; H29-F459 VanDerWaalsContact CB-CE1 3.42Å; H29-F459 HydrophobicContact CB-CZ 4.12Å; Q30-F459 HydrophobicContact CG-CE1 4.27Å; Q30-F459 HydrophobicContact CG-CZ 4.28Å; I247-F459 HydrophobicContact CG2-CB 3.97Å; S455-F459 WeakPolarHBondContact O-CB 3.39Å; S455-F459 PolarHBondContact O-N 2.99Å; L456-F459 HydrophobicContact CD1-CD1 4.19Å; L456-F459 WeakPolarHBondContact O-CB 3.12Å; L456-F459 PolarHBondContact O-N 3.14Å; V457-F459 VanDerWaalsContact C-N 3.34Å; F459-R461 VanDerWaalsContact C-N 3.34Å; F459-R461 PolarHBondContact O-N 3.25Å; F459-L462 WeakPolarHBondContact O-CB 3.48Å; F459-L462 PolarHBondContact O-N 2.97Å; F459-L462 VanDerWaalsContact O-N 3.17Å; F459-V463 HydrophobicContact CD1-CG2 4.05Å; F459-V463 HydrophobicContact CE1-CG2 3.47Å; F459-V463 VanDerWaalsContact CE1-CG2 3.47Å; F459-V463 HydrophobicContact CE2-CG2 4.2Å; F459-V463 HydrophobicContact CZ-CG2 3.56Å; F459-V463 WeakPolarHBondContact O-CG2 3.36Å; F459-V463 PolarHBondContact O-N 3.31Å; F459-W466 HydrophobicContact CE2-CH2 4.33Å; F459-W466 HydrophobicContact CE2-CZ3 4.34Å; F459-W466 HydrophobicContact CZ-CZ3 4.43Å
460Q96.3Very high94.1Very high95 Ų9563.6 Ų63.644%0.44432%0.317SS..Hα-helixtrans-62.6-40.7176.7-74.5169.5-8.300112L456 V457 L462 V463 Q464L456-Q460 WeakPolarHBondContact O-CB 3.09Å; L456-Q460 VanDerWaalsContact O-CG 3.27Å; L456-Q460 WeakPolarHBondContact O-CG 3.42Å; L456-Q460 PolarHBondContact O-N 3.28Å; V457-Q460 PolarHBondContact O-N 3.49Å; Q460-L462 VanDerWaalsContact C-N 3.31Å; Q460-L462 PolarHBondContact O-N 3.34Å; Q460-V463 PolarHBondContact O-N 3.49Å; Q460-Q464 WeakPolarHBondContact O-CG 3.45Å; Q460-Q464 PolarHBondContact O-N 3.4Å
461R96.1Very high94.1Very high122 Ų12264.5 Ų64.546%0.4631%0.313SS..Hα-helixtrans-61.2-40.5173.1-71.1-178.8-68.8168.90111.9F245 V457 A458 F459 Q464 L465F245-R461 HydrophobicContact CD1-CB 4.42Å; F245-R461 HydrophobicContact CE1-CB 4.09Å; V457-R461 WeakPolarHBondContact O-CG 3.49Å; V457-R461 PolarHBondContact O-N 2.74Å; V457-R461 VanDerWaalsContact O-N 3.15Å; A458-R461 PolarHBondContact O-N 3.22Å; F459-R461 VanDerWaalsContact C-N 3.34Å; F459-R461 PolarHBondContact O-N 3.25Å; R461-Q464 PolarHBondContact O-N 2.95Å; R461-L465 PolarHBondContact O-N 3.42Å
462L96.5Very high94.3Very high0 Ų058.1 Ų58.10%028%0.284CS..Hα-helixtrans-62.5-45.4174.5176.866.2000111.7F138 I214 F245 A458 F459 Q460 Q464 L465 W466F138-L462 HydrophobicContact CD1-CD1 3.69Å; F138-L462 HydrophobicContact CE1-CD1 3.63Å; F138-L462 HydrophobicContact CG-CD1 4.24Å; F138-L462 HydrophobicContact CZ-CD1 4.14Å; I214-L462 HydrophobicContact CD1-CD1 4.29Å; I214-L462 HydrophobicContact CD1-CD2 3.59Å; I214-L462 HydrophobicContact CG1-CD1 4.23Å; I214-L462 HydrophobicContact CG1-CD2 3.79Å; F245-L462 HydrophobicContact CD1-CB 3.89Å; F245-L462 HydrophobicContact CD2-CD1 3.94Å; F245-L462 HydrophobicContact CE1-CB 4.29Å; F245-L462 HydrophobicContact CE2-CD1 4.13Å; F245-L462 HydrophobicContact CG-CB 4.09Å; F245-L462 HydrophobicContact CG-CD1 4.22Å; A458-L462 PolarHBondContact O-N 3.17Å; A458-L462 VanDerWaalsContact O-N 3.08Å; F459-L462 WeakPolarHBondContact O-CB 3.48Å; F459-L462 PolarHBondContact O-N 2.97Å; F459-L462 VanDerWaalsContact O-N 3.17Å; Q460-L462 VanDerWaalsContact C-N 3.31Å; Q460-L462 PolarHBondContact O-N 3.34Å; L462-Q464 VanDerWaalsContact C-N 3.3Å; L462-Q464 PolarHBondContact O-N 3.32Å; L462-L465 WeakPolarHBondContact O-CB 3.42Å; L462-L465 PolarHBondContact O-N 2.98Å; L462-L465 VanDerWaalsContact O-N 3.15Å; L462-W466 HydrophobicContact CD1-CZ2 3.94Å; L462-W466 HydrophobicContact CD2-CH2 3.78Å; L462-W466 HydrophobicContact CD2-CZ2 3.48Å; L462-W466 VanDerWaalsContact CD2-CZ2 3.48Å; L462-W466 HydrophobicContact CG-CD2 4.44Å; L462-W466 HydrophobicContact CG-CH2 4.01Å; L462-W466 HydrophobicContact CG-CZ2 3.48Å; L462-W466 VanDerWaalsContact CG-CZ2 3.48Å; L462-W466 PolarHBondContact O-N 3.29Å
463V95.3Very high94.4Very high10 Ų1051.1 Ų51.16%0.06125%0.252CS..Hα-helixtrans-62.3-36.4177.31710000112.1Q30 F459 Q460 L465 W466 N467Q30-V463 HydrophobicContact CG-CG1 4.23Å; Q30-V463 HydrophobicContact CG-CG2 3.92Å; F459-V463 HydrophobicContact CD1-CG2 4.05Å; F459-V463 HydrophobicContact CE1-CG2 3.47Å; F459-V463 VanDerWaalsContact CE1-CG2 3.47Å; F459-V463 HydrophobicContact CE2-CG2 4.2Å; F459-V463 HydrophobicContact CZ-CG2 3.56Å; F459-V463 WeakPolarHBondContact O-CG2 3.36Å; F459-V463 PolarHBondContact O-N 3.31Å; Q460-V463 PolarHBondContact O-N 3.49Å; V463-L465 VanDerWaalsContact C-N 3.25Å; V463-L465 PolarHBondContact O-N 3.35Å; V463-W466 HydrophobicContact CB-CE3 4.3Å; V463-W466 HydrophobicContact CG2-CE3 3.83Å; V463-W466 HydrophobicContact CG2-CZ3 3.79Å; V463-W466 PolarHBondContact O-N 3.27Å; V463-W466 VanDerWaalsContact O-N 3.15Å; V463-N467 PolarHBondContact O-N 3.29Å; V463-N467 PolarHBondContact O-ND2 3.32Å
464Q94.7Very high94.2Very high124 Ų12453.9 Ų53.958%0.57926%0.263SS*.Hα-helixtrans-59.3-38.7175.8-73.7168.1-1.300111.7Q460 R461 L462 W466 N467Q460-Q464 WeakPolarHBondContact O-CG 3.45Å; Q460-Q464 PolarHBondContact O-N 3.4Å; R461-Q464 PolarHBondContact O-N 2.95Å; L462-Q464 VanDerWaalsContact C-N 3.3Å; L462-Q464 PolarHBondContact O-N 3.32Å; Q464-W466 VanDerWaalsContact C-N 3.33Å; Q464-N467 PolarHBondContact O-N 3.37Å
465L93.7Very high94Very high49 Ų4955.6 Ų55.626%0.25727%0.267SS..Hα-helixtrans-68-31.5176.4-65.7175.6000112.9F138 F245 R461 L462 V463 N467F138-L465 HydrophobicContact CE1-CD1 4.04Å; F138-L465 HydrophobicContact CZ-CB 4.04Å; F138-L465 HydrophobicContact CZ-CD1 4.19Å; F245-L465 HydrophobicContact CE1-CD1 4.19Å; F245-L465 HydrophobicContact CE2-CD1 4.12Å; F245-L465 HydrophobicContact CZ-CD1 3.41Å; F245-L465 VanDerWaalsContact CZ-CD1 3.41Å; R461-L465 PolarHBondContact O-N 3.42Å; L462-L465 WeakPolarHBondContact O-CB 3.42Å; L462-L465 PolarHBondContact O-N 2.98Å; L462-L465 VanDerWaalsContact O-N 3.15Å; V463-L465 VanDerWaalsContact C-N 3.25Å; V463-L465 PolarHBondContact O-N 3.35Å; L465-N467 PolarHBondContact O-N 3.27Å
466W92.6Very high93.8Very high4 Ų459.6 Ų59.62%0.01529%0.285CS..Hα-helixtrans-71.6-16.9175.8-60.9-20.2000113.8I5 I26 K115 A116 F138 F459 L462 V463 Q464I5-W466 HydrophobicContact CD1-CD2 3.6Å; I5-W466 HydrophobicContact CD1-CE3 3.24Å; I5-W466 HydrophobicContact CD1-CG 4.44Å; I5-W466 HydrophobicContact CD1-CH2 3.52Å; I5-W466 HydrophobicContact CD1-CZ2 3.85Å; I5-W466 HydrophobicContact CD1-CZ3 3.21Å; I26-W466 HydrophobicContact CD1-CH2 3.8Å; I26-W466 HydrophobicContact CD1-CZ3 4.43Å; I26-W466 HydrophobicContact CG1-CH2 3.89Å; I26-W466 HydrophobicContact CG1-CZ3 4.24Å; I26-W466 HydrophobicContact CG2-CZ3 4.14Å; K115-W466 HydrophobicContact CB-CB 4.3Å; K115-W466 WeakPolarHBondContact CD-O 3.45Å; A116-W466 HydrophobicContact CB-CG 4.18Å; F138-W466 AromaticContact CD2-NE1 3.61Å; F138-W466 AromaticContact CE2-CD1 3.51Å; F138-W466 AromaticContact CE2-NE1 3.35Å; F138-W466 AromaticContact CZ-CD1 3.98Å; F138-W466 AromaticContact CZ-NE1 3.88Å; F459-W466 HydrophobicContact CE2-CH2 4.33Å; F459-W466 HydrophobicContact CE2-CZ3 4.34Å; F459-W466 HydrophobicContact CZ-CZ3 4.43Å; L462-W466 HydrophobicContact CD1-CZ2 3.94Å; L462-W466 HydrophobicContact CD2-CH2 3.78Å; L462-W466 HydrophobicContact CD2-CZ2 3.48Å; L462-W466 VanDerWaalsContact CD2-CZ2 3.48Å; L462-W466 HydrophobicContact CG-CD2 4.44Å; L462-W466 HydrophobicContact CG-CH2 4.01Å; L462-W466 HydrophobicContact CG-CZ2 3.48Å; L462-W466 VanDerWaalsContact CG-CZ2 3.48Å; L462-W466 PolarHBondContact O-N 3.29Å; V463-W466 HydrophobicContact CB-CE3 4.3Å; V463-W466 HydrophobicContact CG2-CE3 3.83Å; V463-W466 HydrophobicContact CG2-CZ3 3.79Å; V463-W466 PolarHBondContact O-N 3.27Å; V463-W466 VanDerWaalsContact O-N 3.15Å; Q464-W466 VanDerWaalsContact C-N 3.33Å
467N85.4Confident93.6Very high97 Ų9762.9 Ų62.952%0.51930%0.3SS..THydrogen-bonded Turntrans-99.91-178.4-71.1-38.9000113.5V463 Q464 L465V463-N467 PolarHBondContact O-N 3.29Å; V463-N467 PolarHBondContact O-ND2 3.32Å; Q464-N467 PolarHBondContact O-N 3.37Å; L465-N467 PolarHBondContact O-N 3.27Å
468Q80.5Confident93.2Very high192 Ų19263.5 Ų63.590%0.89730%0.297SS*.  trans-78.70168.1-64.2176.87.900109.4

Retrieved 468 of 468 residues in 134.1 ms (Link to these results)

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