C4Q2I8_SCHMA Loading...

N-acyl-aliphatic-L-amino acid amidohydrolase

AlphaFold DB , UniProt , Accession C4Q2I8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 429 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
1M56.8Low86.1Confident127 Ų12792.9 Ų92.963%0.62646%0.455SS*.  01600-83-171.2-98.400109.1D6 L9 C132M1-D6 WeakPolarHBondContact CE-OD1 3.46Å; M1-L9 HydrophobicContact SD-CD1 4.38Å; M1-C132 WeakPolarHBondContact CE-SG 3.3Å; M1-C132 PolarHBondContact SD-SG 2.8Å
2N70.1Confident87.1Confident123 Ų12387.9 Ų87.966%0.65843%0.431SS*.  trans-81.3137.7171.2-158.65.2000108.3N4 N5 D6N2-N4 PolarHBondContact O-N 3.34Å; N2-N4 VanDerWaalsContact O-N 3.1Å; N2-N5 WeakPolarHBondContact O-CB 3.23Å; N2-N5 PolarHBondContact O-N 3.15Å; N2-D6 PolarHBondContact O-N 2.7Å
3D75Confident87.9Confident132 Ų13281.2 Ų81.271%0.70640%0.398SS*.Hα-helixtrans-55.5-34.5-171.5-162.420.8000112.8N5 D6 K7D3-N5 VanDerWaalsContact C-N 3.29Å; D3-N5 PolarHBondContact O-N 3.36Å; D3-D6 PolarHBondContact O-N 2.89Å; D3-K7 PolarHBondContact O-N 3.31Å; D3-K7 VanDerWaalsContact O-N 3.15Å
4N80.7Confident88.7Confident126 Ų12676.1 Ų76.167%0.67437%0.374SS*.Hα-helixtrans-61.3-32.9174.2-75.5-21.6000113.9N2 Y8N2-N4 PolarHBondContact O-N 3.34Å; N2-N4 VanDerWaalsContact O-N 3.1Å; N4-Y8 WeakPolarHBondContact O-CB 3.41Å; N4-Y8 PolarHBondContact O-N 3.25Å
5N88.6Confident89.4Confident51 Ų5181.3 Ų81.327%0.27339%0.394SS..Hα-helixtrans-74.2-41.5179.5-170.253.6000111.3N2 D3 K7 Y8 L9N2-N5 WeakPolarHBondContact O-CB 3.23Å; N2-N5 PolarHBondContact O-N 3.15Å; D3-N5 VanDerWaalsContact C-N 3.29Å; D3-N5 PolarHBondContact O-N 3.36Å; N5-K7 PolarHBondContact O-N 2.83Å; N5-Y8 PolarHBondContact O-N 3.32Å; N5-L9 VanDerWaalsContact O-CG 3.31Å; N5-L9 WeakPolarHBondContact O-CG 3.09Å; N5-L9 PolarHBondContact O-N 3.1Å
6D91.1Very high89.9Confident45 Ų4577.5 Ų77.524%0.24138%0.376CS..Hα-helixtrans-64.4-42.5178.8-76.6-37.1000111.2M1 N2 D3 Y8 L9 D10M1-D6 WeakPolarHBondContact CE-OD1 3.46Å; N2-D6 PolarHBondContact O-N 2.7Å; D3-D6 PolarHBondContact O-N 2.89Å; D6-Y8 VanDerWaalsContact C-N 3.34Å; D6-Y8 PolarHBondContact O-N 2.92Å; D6-L9 PolarHBondContact O-N 3.48Å; D6-D10 WeakPolarHBondContact O-CB 3.49Å; D6-D10 PolarHBondContact O-N 3.47Å
7K94.4Very high90.5Very high133 Ų13372.9 Ų72.958%0.57835%0.354SS*.Hα-helixtrans-60.3-42.8174.5-172.6177.6177.4-1780112.6D3 N5 D10 E11D3-K7 PolarHBondContact O-N 3.31Å; D3-K7 VanDerWaalsContact O-N 3.15Å; N5-K7 PolarHBondContact O-N 2.83Å; K7-D10 PolarHBondContact O-N 2.88Å; K7-E11 WeakPolarHBondContact CE-OE1 3.4Å; K7-E11 WeakPolarHBondContact O-CG 3.32Å; K7-E11 PolarHBondContact O-N 3.39Å
8Y96.2Very high90.9Very high138 Ų13870.6 Ų70.654%0.54134%0.343SS..Hα-helixtrans-62.7-42.9176.9175.8-110.4000112.3N4 N5 D6 E11 I12N4-Y8 WeakPolarHBondContact O-CB 3.41Å; N4-Y8 PolarHBondContact O-N 3.25Å; N5-Y8 PolarHBondContact O-N 3.32Å; D6-Y8 VanDerWaalsContact C-N 3.34Å; D6-Y8 PolarHBondContact O-N 2.92Å; Y8-E11 PolarHBondContact O-N 2.95Å; Y8-I12 HydrophobicContact CD1-CD1 3.91Å; Y8-I12 HydrophobicContact CD2-CD1 4.46Å; Y8-I12 HydrophobicContact CE1-CD1 3.35Å; Y8-I12 HydrophobicContact CE2-CD1 3.98Å; Y8-I12 HydrophobicContact CE2-CG1 4.43Å; Y8-I12 HydrophobicContact CG-CD1 4.43Å; Y8-I12 VanDerWaalsContact CZ-CD1 3.4Å; Y8-I12 PolarHBondContact O-N 2.87Å; Y8-I12 VanDerWaalsContact O-N 3.09Å
9L97.7Very high91.3Very high3 Ų372.7 Ų72.72%0.01635%0.347CS..Hα-helixtrans-66.9-36.4176.2-67.1171.6000112M1 N5 D6 I12 A13 R127 R128M1-L9 HydrophobicContact SD-CD1 4.38Å; N5-L9 VanDerWaalsContact O-CG 3.31Å; N5-L9 WeakPolarHBondContact O-CG 3.09Å; N5-L9 PolarHBondContact O-N 3.1Å; D6-L9 PolarHBondContact O-N 3.48Å; L9-I12 PolarHBondContact O-N 3.29Å; L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 3.13Å; L9-R127 HydrophobicContact CD2-CG 3.96Å; L9-R128 HydrophobicContact CB-CG 4.49Å; L9-R128 HydrophobicContact CD1-CG 3.95Å
10D98.1Very high91.7Very high31 Ų3169.1 Ų69.117%0.16633%0.33CS..Hα-helixtrans-63.5-41.4174-75.717000111.5D6 K7 A13 V14 R128 L412 R416D6-D10 WeakPolarHBondContact O-CB 3.49Å; D6-D10 PolarHBondContact O-N 3.47Å; K7-D10 PolarHBondContact O-N 2.88Å; D10-A13 PolarHBondContact O-N 2.65Å; D10-V14 VanDerWaalsContact O-CG2 3.29Å; D10-V14 WeakPolarHBondContact O-CG2 3.49Å; D10-V14 PolarHBondContact O-N 3.24Å; D10-V14 VanDerWaalsContact O-N 3.12Å; D10-R128 IonicContact OD1-CZ 3.72Å; D10-R128 VanDerWaalsContact OD1-CZ 3.24Å; D10-R128 IonicContact OD1-NH1 3.39Å; D10-R128 PolarHBondContact OD1-NH1 3.26Å; D10-R128 IonicContact OD1-NH2 2.73Å; D10-R128 PolarHBondContact OD1-NH2 3.48Å; D10-L412 HydrophobicContact CB-CD1 4Å; D10-L412 HydrophobicContact CB-CD2 3.72Å; D10-L412 HydrophobicContact CB-CG 4.5Å; D10-R416 IonicContact OD1-NH1 3.97Å; D10-R416 PolarHBondContact OD1-NH1 3.34Å; D10-R416 IonicContact OD2-NH1 3.99Å; D10-R416 PolarHBondContact OD2-NH1 2.95Å
11E97.9Very high92Very high113 Ų11365.8 Ų65.853%0.52831%0.314SS..Hα-helixtrans-64.5-43.3176.4-73.9174.1-168.700112.4K7 Y8 K15K7-E11 WeakPolarHBondContact CE-OE1 3.4Å; K7-E11 WeakPolarHBondContact O-CG 3.32Å; K7-E11 PolarHBondContact O-N 3.39Å; Y8-E11 PolarHBondContact O-N 2.95Å; E11-K15 WeakPolarHBondContact O-CB 3.27Å; E11-K15 PolarHBondContact O-N 3.36Å; E11-K15 VanDerWaalsContact O-N 3.09Å
12I98Very high94Very high33 Ų3363.2 Ų63.217%0.16930%0.3CS..Hα-helixtrans-62.3-48174.9-70.3168.1000110.8Y8 L9 V14 K15 N16Y8-I12 HydrophobicContact CD1-CD1 3.91Å; Y8-I12 HydrophobicContact CD2-CD1 4.46Å; Y8-I12 HydrophobicContact CE1-CD1 3.35Å; Y8-I12 HydrophobicContact CE2-CD1 3.98Å; Y8-I12 HydrophobicContact CE2-CG1 4.43Å; Y8-I12 HydrophobicContact CG-CD1 4.43Å; Y8-I12 VanDerWaalsContact CZ-CD1 3.4Å; Y8-I12 PolarHBondContact O-N 2.87Å; Y8-I12 VanDerWaalsContact O-N 3.09Å; L9-I12 PolarHBondContact O-N 3.29Å; I12-V14 VanDerWaalsContact C-N 3.31Å; I12-V14 PolarHBondContact O-N 3.28Å; I12-K15 PolarHBondContact O-N 2.89Å; I12-N16 WeakPolarHBondContact CG2-ND2 3.25Å; I12-N16 WeakPolarHBondContact O-CB 3.36Å; I12-N16 PolarHBondContact O-N 3.39Å
13A98.6Very high95.4Very high0 Ų058 Ų580%027%0.272CS..Hα-helixtrans-59.3-44.4-176.300000111.7L9 D10 N16 F17 E124 F411 L412L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 3.13Å; D10-A13 PolarHBondContact O-N 2.65Å; A13-N16 PolarHBondContact O-N 3.41Å; A13-F17 WeakPolarHBondContact O-CB 3.42Å; A13-F17 PolarHBondContact O-N 3.34Å; A13-E124 HydrophobicContact CB-CB 4.01Å; A13-E124 HydrophobicContact CB-CG 3.73Å; A13-F411 HydrophobicContact CB-CE1 4.02Å; A13-F411 HydrophobicContact CB-CZ 4.38Å; A13-L412 HydrophobicContact CB-CD2 4.17Å
14V98.6Very high96.4Very high10 Ų1055 Ų556%0.06126%0.258CS..Hα-helixtrans-67.6-40.7178.8172.80000111.1D10 I12 N16 F17 I18 I101 I107 K408 F411 L412D10-V14 VanDerWaalsContact O-CG2 3.29Å; D10-V14 WeakPolarHBondContact O-CG2 3.49Å; D10-V14 PolarHBondContact O-N 3.24Å; D10-V14 VanDerWaalsContact O-N 3.12Å; I12-V14 VanDerWaalsContact C-N 3.31Å; I12-V14 PolarHBondContact O-N 3.28Å; V14-N16 PolarHBondContact O-N 3.07Å; V14-F17 PolarHBondContact O-N 2.71Å; V14-I18 HydrophobicContact CG1-CD1 3.8Å; V14-I18 WeakPolarHBondContact O-CD1 3.34Å; V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.38Å; V14-I18 PolarHBondContact O-N 2.88Å; V14-I101 HydrophobicContact CG1-CD1 4.08Å; V14-I107 HydrophobicContact CG1-CD1 4.29Å; V14-K408 HydrophobicContact CG2-CD 4.32Å; V14-K408 HydrophobicContact CG2-CG 3.97Å; V14-F411 HydrophobicContact CG2-CD1 4.12Å; V14-F411 HydrophobicContact CG2-CE1 4.1Å; V14-L412 HydrophobicContact CG2-CD1 4.2Å; V14-L412 HydrophobicContact CG2-CD2 3.89Å; V14-L412 HydrophobicContact CG2-CG 4.11Å
15K98.5Very high97.2Very high155 Ų15549 Ų4967%0.67423%0.226SC*.Hα-helixtrans-61.9-43.4175.7-177.1-179.1177.8-177.70111.9E11 I12 R19E11-K15 WeakPolarHBondContact O-CB 3.27Å; E11-K15 PolarHBondContact O-N 3.36Å; E11-K15 VanDerWaalsContact O-N 3.09Å; I12-K15 PolarHBondContact O-N 2.89Å; K15-R19 WeakPolarHBondContact O-CB 3.3Å; K15-R19 PolarHBondContact O-N 3.24Å
16N98.7Very high97.7Very high20 Ų2047.9 Ų47.911%0.10722%0.221CC..Hα-helixtrans-67.7-39178.4-73.1-17.2000111.4I12 A13 V14 R19 Y20 W38 I120 E124I12-N16 WeakPolarHBondContact CG2-ND2 3.25Å; I12-N16 WeakPolarHBondContact O-CB 3.36Å; I12-N16 PolarHBondContact O-N 3.39Å; A13-N16 PolarHBondContact O-N 3.41Å; V14-N16 PolarHBondContact O-N 3.07Å; N16-R19 PolarHBondContact O-N 2.81Å; N16-Y20 WeakPolarHBondContact O-CB 3.42Å; N16-Y20 PolarHBondContact O-N 2.94Å; N16-W38 HydrophobicContact CB-CH2 4.25Å; N16-W38 HydrophobicContact CB-CZ2 4.18Å; N16-W38 WeakPolarHBondContact O-CH2 3.31Å; N16-I120 HydrophobicContact CB-CG2 4.29Å; N16-E124 PolarHBondContact ND2-OE1 2.8Å
17F98.8Very high97.9Very high0 Ų046.4 Ų46.40%021%0.213CC..Hα-helixtrans-61-51.3175.2178.3-146.5000112A13 V14 R19 Y20 L21 I107 T112 S117 I120 L406 F411A13-F17 WeakPolarHBondContact O-CB 3.42Å; A13-F17 PolarHBondContact O-N 3.34Å; V14-F17 PolarHBondContact O-N 2.71Å; F17-R19 VanDerWaalsContact C-N 3.28Å; F17-R19 PolarHBondContact O-N 3.01Å; F17-Y20 PolarHBondContact O-N 2.99Å; F17-L21 HydrophobicContact CD2-CD1 4.21Å; F17-L21 HydrophobicContact CD2-CG 4.12Å; F17-L21 HydrophobicContact CE1-CD1 4.43Å; F17-L21 HydrophobicContact CE2-CD1 3.85Å; F17-L21 HydrophobicContact CE2-CD2 3.84Å; F17-L21 HydrophobicContact CE2-CG 3.86Å; F17-L21 HydrophobicContact CZ-CD1 3.99Å; F17-L21 HydrophobicContact CZ-CD2 4.45Å; F17-L21 HydrophobicContact CZ-CG 4.48Å; F17-L21 WeakPolarHBondContact O-CG 3.44Å; F17-L21 PolarHBondContact O-N 3.01Å; F17-I107 HydrophobicContact CD1-CD1 3.73Å; F17-I107 HydrophobicContact CD1-CG2 4.39Å; F17-I107 HydrophobicContact CE1-CB 4.21Å; F17-I107 HydrophobicContact CE1-CD1 3.81Å; F17-I107 HydrophobicContact CE1-CG2 4.03Å; F17-T112 HydrophobicContact CE1-CG2 4.43Å; F17-T112 HydrophobicContact CE2-CG2 4.39Å; F17-T112 HydrophobicContact CZ-CG2 3.71Å; F17-S117 VanDerWaalsContact CE2-CA 3.42Å; F17-I120 HydrophobicContact CB-CG2 4.09Å; F17-L406 HydrophobicContact CE1-CD2 4.38Å; F17-L406 HydrophobicContact CZ-CD2 4.35Å; F17-F411 HydrophobicContact CB-CE1 4.03Å; F17-F411 HydrophobicContact CB-CE2 3.88Å; F17-F411 HydrophobicContact CB-CZ 3.54Å; F17-F411 HydrophobicContact CD1-CD1 4.12Å; F17-F411 AromaticContact CD1-CD2 3.74Å; F17-F411 HydrophobicContact CD1-CD2 3.74Å; F17-F411 HydrophobicContact CD1-CE1 4.18Å; F17-F411 AromaticContact CD1-CE2 3.79Å; F17-F411 HydrophobicContact CD1-CE2 3.79Å; F17-F411 AromaticContact CD1-CG 3.92Å; F17-F411 HydrophobicContact CD1-CG 3.92Å; F17-F411 HydrophobicContact CD1-CZ 4.03Å; F17-F411 HydrophobicContact CD2-CE2 4.26Å; F17-F411 AromaticContact CE1-CD2 3.95Å; F17-F411 HydrophobicContact CE1-CD2 3.95Å; F17-F411 HydrophobicContact CE1-CE2 4.36Å; F17-F411 HydrophobicContact CE1-CG 4.17Å; F17-F411 HydrophobicContact CG-CD2 4.14Å; F17-F411 HydrophobicContact CG-CE1 4.42Å; F17-F411 AromaticContact CG-CE2 3.73Å; F17-F411 HydrophobicContact CG-CE2 3.73Å; F17-F411 AromaticContact CG-CZ 3.9Å; F17-F411 HydrophobicContact CG-CZ 3.9Å
18I98.7Very high97.9Very high31 Ų3145 Ų4516%0.15922%0.217CC..Hα-helixtrans-58.5-43.7176.4-68.5164.1000110.8V14 Y20 L21 Q22 I101 I107V14-I18 HydrophobicContact CG1-CD1 3.8Å; V14-I18 WeakPolarHBondContact O-CD1 3.34Å; V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.38Å; V14-I18 PolarHBondContact O-N 2.88Å; I18-Y20 VanDerWaalsContact C-N 3.26Å; I18-Y20 PolarHBondContact O-N 3.42Å; I18-L21 PolarHBondContact O-N 3.07Å; I18-Q22 WeakPolarHBondContact O-CG 3.38Å; I18-Q22 PolarHBondContact O-N 3.47Å; I18-I101 HydrophobicContact CD1-CD1 3.49Å; I18-I101 VanDerWaalsContact CD1-CD1 3.49Å; I18-I101 HydrophobicContact CD1-CG1 3.77Å; I18-I107 HydrophobicContact CG1-CG2 4.3Å
19R98.7Very high97.8Very high111 Ų11145.3 Ų45.342%0.41923%0.228SC..Hα-helixtrans-61.3-37.5177.2-178.854.8-179.2169.83.3111.9K15 N16 F17 Q22 F23 W38K15-R19 WeakPolarHBondContact O-CB 3.3Å; K15-R19 PolarHBondContact O-N 3.24Å; N16-R19 PolarHBondContact O-N 2.81Å; F17-R19 VanDerWaalsContact C-N 3.28Å; F17-R19 PolarHBondContact O-N 3.01Å; R19-Q22 WeakPolarHBondContact O-CB 3.37Å; R19-Q22 PolarHBondContact O-N 2.95Å; R19-F23 HydrophobicContact CG-CE2 4.16Å; R19-F23 HydrophobicContact CG-CZ 4.44Å; R19-F23 WeakPolarHBondContact O-CD2 3.48Å; R19-F23 WeakPolarHBondContact O-CE2 3.37Å; R19-W38 HydrophobicContact CB-CZ2 4Å; R19-W38 HydrophobicContact CG-CD2 4.42Å; R19-W38 HydrophobicContact CG-CZ2 3.82Å
20Y98.8Very high97.7Very high0 Ų046.6 Ų46.60%024%0.237CC..Hα-helixtrans-70.1-36.8-179.4-166-148000112.7N16 F17 I18 Q22 F23 A35 W38 L39 M82 K116 I120 F145N16-Y20 WeakPolarHBondContact O-CB 3.42Å; N16-Y20 PolarHBondContact O-N 2.94Å; F17-Y20 PolarHBondContact O-N 2.99Å; I18-Y20 VanDerWaalsContact C-N 3.26Å; I18-Y20 PolarHBondContact O-N 3.42Å; Y20-Q22 PolarHBondContact O-N 3.44Å; Y20-F23 AromaticContact CD2-CD2 3.94Å; Y20-F23 HydrophobicContact CD2-CD2 3.94Å; Y20-F23 PolarHBondContact O-N 3.36Å; Y20-A35 HydrophobicContact CE2-CB 4.33Å; Y20-W38 HydrophobicContact CD2-CE3 4.09Å; Y20-W38 AromaticContact CD2-CZ3 3.6Å; Y20-W38 HydrophobicContact CD2-CZ3 3.6Å; Y20-W38 HydrophobicContact CE2-CZ3 4.48Å; Y20-W38 HydrophobicContact CG-CH2 4.39Å; Y20-W38 AromaticContact CG-CZ3 3.77Å; Y20-W38 HydrophobicContact CG-CZ3 3.77Å; Y20-L39 HydrophobicContact CE2-CD1 3.93Å; Y20-L39 HydrophobicContact CE2-CD2 4.24Å; Y20-L39 HydrophobicContact CE2-CG 4.24Å; Y20-M82 WeakPolarHBondContact OH-CG 3.42Å; Y20-K116 HydrophobicContact CD1-CB 3.46Å; Y20-K116 VanDerWaalsContact CD1-CB 3.46Å; Y20-K116 HydrophobicContact CD1-CD 3.99Å; Y20-K116 HydrophobicContact CD1-CG 3.8Å; Y20-K116 WeakPolarHBondContact CD1-O 3.43Å; Y20-K116 HydrophobicContact CD2-CD 4.45Å; Y20-K116 HydrophobicContact CE1-CB 3.58Å; Y20-K116 HydrophobicContact CE1-CD 4.08Å; Y20-K116 HydrophobicContact CE1-CG 3.57Å; Y20-K116 HydrophobicContact CE2-CD 4.49Å; Y20-K116 HydrophobicContact CG-CB 4.33Å; Y20-K116 HydrophobicContact CG-CD 4.17Å; Y20-K116 HydrophobicContact CG-CG 4.46Å; Y20-K116 PolarHBondContact O-NZ 3.05Å; Y20-K116 VanDerWaalsContact O-NZ 3.07Å; Y20-I120 HydrophobicContact CD1-CD1 3.77Å; Y20-I120 HydrophobicContact CD1-CG1 3.52Å; Y20-I120 HydrophobicContact CE1-CG1 4.39Å; Y20-I120 HydrophobicContact CG-CD1 4.01Å; Y20-I120 HydrophobicContact CG-CG1 4.11Å; Y20-F145 HydrophobicContact CE1-CE1 4.39Å
21L98.6Very high97.6Very high0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-61.2-30.2172.6-64.4172000112.5F17 I18 F23 I107 R110 T112 K116F17-L21 HydrophobicContact CD2-CD1 4.21Å; F17-L21 HydrophobicContact CD2-CG 4.12Å; F17-L21 HydrophobicContact CE1-CD1 4.43Å; F17-L21 HydrophobicContact CE2-CD1 3.85Å; F17-L21 HydrophobicContact CE2-CD2 3.84Å; F17-L21 HydrophobicContact CE2-CG 3.86Å; F17-L21 HydrophobicContact CZ-CD1 3.99Å; F17-L21 HydrophobicContact CZ-CD2 4.45Å; F17-L21 HydrophobicContact CZ-CG 4.48Å; F17-L21 WeakPolarHBondContact O-CG 3.44Å; F17-L21 PolarHBondContact O-N 3.01Å; I18-L21 PolarHBondContact O-N 3.07Å; L21-F23 VanDerWaalsContact C-N 3.26Å; L21-F23 PolarHBondContact O-N 2.81Å; L21-I107 HydrophobicContact CD1-CG2 3.98Å; L21-R110 WeakPolarHBondContact CD2-O 3.45Å; L21-T112 HydrophobicContact CD1-CG2 3.52Å; L21-T112 HydrophobicContact CD2-CG2 3.83Å; L21-T112 HydrophobicContact CG-CG2 4.34Å; L21-K116 HydrophobicContact CD2-CB 4.23Å; L21-K116 HydrophobicContact CD2-CD 4.3Å
22Q98.6Very high97.6Very high72 Ų7243.8 Ų43.834%0.33623%0.23SC..THydrogen-bonded Turntrans-73-13179.8-69168.5-6.600114.7I18 R19 Y20 V24 F97 S98I18-Q22 WeakPolarHBondContact O-CG 3.38Å; I18-Q22 PolarHBondContact O-N 3.47Å; R19-Q22 WeakPolarHBondContact O-CB 3.37Å; R19-Q22 PolarHBondContact O-N 2.95Å; Y20-Q22 PolarHBondContact O-N 3.44Å; Q22-V24 PolarHBondContact O-N 2.84Å; Q22-F97 VanDerWaalsContact CA-O 3.28Å; Q22-F97 WeakPolarHBondContact CA-O 3.21Å; Q22-F97 VanDerWaalsContact CG-O 3.29Å; Q22-F97 WeakPolarHBondContact CG-O 3.31Å; Q22-S98 PolarHBondContact NE2-O 2.98Å
23F98.4Very high97.6Very high14 Ų1450.6 Ų50.66%0.06125%0.254CS..SBendtrans-80117.4171.1-61.7-70.8000110R19 Y20 L21 T25 P34 A35 W38 K116R19-F23 HydrophobicContact CG-CE2 4.16Å; R19-F23 HydrophobicContact CG-CZ 4.44Å; R19-F23 WeakPolarHBondContact O-CD2 3.48Å; R19-F23 WeakPolarHBondContact O-CE2 3.37Å; Y20-F23 AromaticContact CD2-CD2 3.94Å; Y20-F23 HydrophobicContact CD2-CD2 3.94Å; Y20-F23 PolarHBondContact O-N 3.36Å; L21-F23 VanDerWaalsContact C-N 3.26Å; L21-F23 PolarHBondContact O-N 2.81Å; F23-T25 VanDerWaalsContact C-N 3.33Å; F23-T25 PolarHBondContact O-N 2.86Å; F23-P34 HydrophobicContact CD1-CB 3.79Å; F23-P34 HydrophobicContact CE1-CB 3.85Å; F23-P34 VanDerWaalsContact CE1-O 3.32Å; F23-P34 WeakPolarHBondContact CE1-O 3.25Å; F23-A35 HydrophobicContact CB-CB 3.75Å; F23-A35 HydrophobicContact CD1-CB 4.19Å; F23-A35 HydrophobicContact CD2-CB 3.99Å; F23-A35 HydrophobicContact CG-CB 3.72Å; F23-W38 HydrophobicContact CD2-CE3 4.28Å; F23-W38 HydrophobicContact CE1-CB 4.31Å; F23-W38 HydrophobicContact CE2-CB 3.92Å; F23-W38 AromaticContact CE2-CD2 3.51Å; F23-W38 HydrophobicContact CE2-CD2 3.51Å; F23-W38 AromaticContact CE2-CE3 3.47Å; F23-W38 HydrophobicContact CE2-CE3 3.47Å; F23-W38 VanDerWaalsContact CE2-CE3 3.47Å; F23-W38 AromaticContact CE2-CG 3.72Å; F23-W38 HydrophobicContact CE2-CG 3.72Å; F23-W38 HydrophobicContact CE2-CZ3 4.19Å; F23-W38 HydrophobicContact CZ-CB 3.44Å; F23-W38 VanDerWaalsContact CZ-CB 3.44Å; F23-W38 AromaticContact CZ-CD2 3.87Å; F23-W38 HydrophobicContact CZ-CD2 3.87Å; F23-W38 HydrophobicContact CZ-CE3 4.21Å; F23-W38 AromaticContact CZ-CG 3.52Å; F23-W38 HydrophobicContact CZ-CG 3.52Å; F23-K116 PolarHBondContact O-NZ 2.69Å
24V97.3Very high97.6Very high69 Ų6953.3 Ų53.342%0.41827%0.271SS..  trans-81.980.1-177-174.80000109.9Q22 V26 C31 F97Q22-V24 PolarHBondContact O-N 2.84Å; V24-V26 VanDerWaalsContact C-N 3.26Å; V24-V26 HydrophobicContact CG1-CB 4.25Å; V24-V26 HydrophobicContact CG1-CG1 3.55Å; V24-V26 PolarHBondContact O-N 3.35Å; V24-C31 PolarHBondContact O-N 3.15Å; V24-F97 HydrophobicContact CG1-CD2 4.27Å; V24-F97 HydrophobicContact CG1-CE1 4.47Å; V24-F97 HydrophobicContact CG1-CE2 3.98Å; V24-F97 HydrophobicContact CG1-CZ 4.1Å; V24-F97 HydrophobicContact CG2-CB 4.08Å; V24-F97 HydrophobicContact CG2-CD1 4.27Å; V24-F97 HydrophobicContact CG2-CD2 3.94Å; V24-F97 HydrophobicContact CG2-CE2 4.48Å; V24-F97 HydrophobicContact CG2-CG 3.83Å
25T98.1Very high97.6Very high0 Ų052.9 Ų52.90%027%0.268CS..  trans-94.743.3177.446.10000111F23 Y32 A35 M82 D83 V84 K116F23-T25 VanDerWaalsContact C-N 3.33Å; F23-T25 PolarHBondContact O-N 2.86Å; T25-Y32 HydrophobicContact CG2-CD1 3.78Å; T25-Y32 HydrophobicContact CG2-CE1 4.32Å; T25-A35 HydrophobicContact CG2-CB 4.17Å; T25-M82 VanDerWaalsContact CB-O 3.25Å; T25-M82 WeakPolarHBondContact CB-O 3.48Å; T25-M82 PolarHBondContact OG1-O 2.95Å; T25-D83 CarbonylContact O-C 3.57Å; T25-D83 VanDerWaalsContact O-CA 3.25Å; T25-D83 WeakPolarHBondContact O-CA 3.32Å; T25-V84 PolarHBondContact O-N 3.06Å; T25-K116 VanDerWaalsContact OG1-CE 3.25Å; T25-K116 WeakPolarHBondContact OG1-CE 3.31Å; T25-K116 PolarHBondContact OG1-NZ 3.4Å
26V97.7Very high97.6Very high28 Ų2846.1 Ų46.117%0.1724%0.24CC..BIsolated β-bridgetrans-92.6138.4-170.4710000112.5V24 N29 P30 V84 V85 F97V24-V26 VanDerWaalsContact C-N 3.26Å; V24-V26 HydrophobicContact CG1-CB 4.25Å; V24-V26 HydrophobicContact CG1-CG1 3.55Å; V24-V26 PolarHBondContact O-N 3.35Å; V26-N29 CarbonylContact O-C 3.36Å; V26-N29 PolarHBondContact O-N 3.13Å; V26-P30 VanDerWaalsContact O-CA 3.29Å; V26-P30 WeakPolarHBondContact O-CA 3.29Å; V26-P30 VanDerWaalsContact O-N 3.13Å; V26-V84 WeakPolarHBondContact CA-O 3.44Å; V26-V84 HydrophobicContact CB-CG2 4.02Å; V26-V84 HydrophobicContact CG2-CG2 4.2Å; V26-V85 WeakPolarHBondContact CG2-O 3.33Å; V26-F97 HydrophobicContact CB-CE1 4.5Å; V26-F97 HydrophobicContact CB-CZ 3.87Å; V26-F97 HydrophobicContact CG1-CZ 4.32Å; V26-F97 HydrophobicContact CG2-CZ 4.09Å
27H96.6Very high97.6Very high13 Ų1351 Ų516%0.0626%0.262CS..THydrogen-bonded Turntrans-66.8152.9171.1-78.2-62.6000112.6D83 V84 P86 L151H27-D83 IonicContact CD2-OD2 3.56Å; H27-D83 IonicContact CE1-OD2 2.84Å; H27-D83 IonicContact NE2-OD2 3.7Å; H27-D83 PolarHBondContact NE2-OD2 2.89Å; H27-V84 PolarHBondContact N-O 3.24Å; H27-V84 VanDerWaalsContact N-O 3.07Å; H27-P86 HydrophobicContact CB-CG 4.38Å; H27-L151 WeakPolarHBondContact CE1-CD1 3.12Å; H27-L151 WeakPolarHBondContact ND1-CD1 3.41Å
28P93.8Very high97.6Very high105 Ų10553 Ų5368%0.68227%0.27SS*.THydrogen-bonded Turncis-86.9-3.86.133.5-35.6000115.5P30P28-P30 VanDerWaalsContact C-CD 3.49Å
29N94.4Very high97.6Very high144 Ų14451.5 Ų51.577%0.7726%0.262SS*.SBendtrans-128.466.8-175.3-59.2-64.2000111.3V26 C31V26-N29 CarbonylContact O-C 3.36Å; V26-N29 PolarHBondContact O-N 3.13Å; N29-C31 PolarHBondContact O-N 3.19Å
30P95.8Very high97.6Very high29 Ų2947.4 Ų47.419%0.18825%0.249CC..  trans-65.6132.4-175.826.9-34.9000111.8V26 P28 Y32V26-P30 VanDerWaalsContact O-CA 3.29Å; V26-P30 WeakPolarHBondContact O-CA 3.29Å; V26-P30 VanDerWaalsContact O-N 3.13Å; P28-P30 VanDerWaalsContact C-CD 3.49Å; P30-Y32 HydrophobicContact CB-CD1 4.43Å; P30-Y32 HydrophobicContact CB-CD2 4.41Å; P30-Y32 HydrophobicContact CB-CE1 3.85Å; P30-Y32 HydrophobicContact CB-CE2 3.85Å; P30-Y32 HydrophobicContact CG-CD2 4.33Å; P30-Y32 HydrophobicContact CG-CE1 4.2Å; P30-Y32 HydrophobicContact CG-CE2 3.45Å; P30-Y32 VanDerWaalsContact CG-CE2 3.45Å; P30-Y32 VanDerWaalsContact CG-OH 3.23Å; P30-Y32 WeakPolarHBondContact CG-OH 3.41Å; P30-Y32 PolarHBondContact O-N 3.15Å
31C95.9Very high97.5Very high78 Ų7853.2 Ų53.253%0.52728%0.275SS..  trans-95.189.4173.6-170.50000110.6V24 N29V24-C31 PolarHBondContact O-N 3.15Å; N29-C31 PolarHBondContact O-N 3.19Å
32Y98.2Very high97.5Very high8 Ų853.4 Ų53.43%0.03128%0.276CS..  trans-75.4-31.7-175.5-61-67.3000114.7T25 P30 A35 V36 D58 P60 M82 D83 P147 D148T25-Y32 HydrophobicContact CG2-CD1 3.78Å; T25-Y32 HydrophobicContact CG2-CE1 4.32Å; P30-Y32 HydrophobicContact CB-CD1 4.43Å; P30-Y32 HydrophobicContact CB-CD2 4.41Å; P30-Y32 HydrophobicContact CB-CE1 3.85Å; P30-Y32 HydrophobicContact CB-CE2 3.85Å; P30-Y32 HydrophobicContact CG-CD2 4.33Å; P30-Y32 HydrophobicContact CG-CE1 4.2Å; P30-Y32 HydrophobicContact CG-CE2 3.45Å; P30-Y32 VanDerWaalsContact CG-CE2 3.45Å; P30-Y32 VanDerWaalsContact CG-OH 3.23Å; P30-Y32 WeakPolarHBondContact CG-OH 3.41Å; P30-Y32 PolarHBondContact O-N 3.15Å; Y32-A35 WeakPolarHBondContact O-CA 3.46Å; Y32-A35 WeakPolarHBondContact O-CB 3.4Å; Y32-A35 PolarHBondContact O-N 3.48Å; Y32-V36 WeakPolarHBondContact O-CG2 3.45Å; Y32-V36 PolarHBondContact O-N 2.72Å; Y32-D58 WeakPolarHBondContact CD2-O 3.42Å; Y32-P60 HydrophobicContact CD2-CG 4.41Å; Y32-P60 HydrophobicContact CG-CG 4.31Å; Y32-M82 HydrophobicContact CD1-CB 3.99Å; Y32-M82 HydrophobicContact CD1-CE 4.07Å; Y32-M82 HydrophobicContact CD1-SD 4.46Å; Y32-M82 HydrophobicContact CE1-CB 4.03Å; Y32-M82 HydrophobicContact CG-CE 4.5Å; Y32-D83 HydrophobicContact CE1-CB 3.92Å; Y32-D83 WeakPolarHBondContact OH-CB 3.38Å; Y32-P147 HydrophobicContact CD2-CB 4.46Å; Y32-P147 HydrophobicContact CE1-CB 4.1Å; Y32-P147 HydrophobicContact CE2-CB 3.79Å; Y32-D148 PolarHBondContact OH-N 3.13Å
33R97.3Very high97.5Very high176 Ų17650 Ų5066%0.66426%0.26SS*.Hα-helixtrans-50.8-49.3-168.2-179.1-178-56.5-151.4-0.2114.1A35 V36 E37R33-A35 VanDerWaalsContact C-N 3.31Å; R33-A35 PolarHBondContact O-N 3.35Å; R33-V36 PolarHBondContact O-N 2.92Å; R33-E37 HydrophobicContact CG-CG 4.36Å; R33-E37 WeakPolarHBondContact CG-OE1 3.23Å; R33-E37 WeakPolarHBondContact O-CG 3.49Å; R33-E37 PolarHBondContact O-N 3.34Å
34P98.2Very high97.5Very high57 Ų5754.9 Ų54.937%0.3728%0.283SS..Hα-helixtrans-63.4-35.7179.5-22.735.6000113.3F23 W38F23-P34 HydrophobicContact CD1-CB 3.79Å; F23-P34 HydrophobicContact CE1-CB 3.85Å; F23-P34 VanDerWaalsContact CE1-O 3.32Å; F23-P34 WeakPolarHBondContact CE1-O 3.25Å; P34-W38 WeakPolarHBondContact O-CB 3.33Å; P34-W38 PolarHBondContact O-N 3.2Å
35A98.5Very high97.5Very high0 Ų056.9 Ų56.90%029%0.288CS..Hα-helixtrans-68.7-44.3176.100000111Y20 F23 T25 Y32 R33 W38 L39Y20-A35 HydrophobicContact CE2-CB 4.33Å; F23-A35 HydrophobicContact CB-CB 3.75Å; F23-A35 HydrophobicContact CD1-CB 4.19Å; F23-A35 HydrophobicContact CD2-CB 3.99Å; F23-A35 HydrophobicContact CG-CB 3.72Å; T25-A35 HydrophobicContact CG2-CB 4.17Å; Y32-A35 WeakPolarHBondContact O-CA 3.46Å; Y32-A35 WeakPolarHBondContact O-CB 3.4Å; Y32-A35 PolarHBondContact O-N 3.48Å; R33-A35 VanDerWaalsContact C-N 3.31Å; R33-A35 PolarHBondContact O-N 3.35Å; A35-W38 PolarHBondContact O-N 3.3Å; A35-L39 WeakPolarHBondContact O-CB 3.3Å; A35-L39 VanDerWaalsContact O-CG 3.27Å; A35-L39 WeakPolarHBondContact O-CG 3.35Å; A35-L39 PolarHBondContact O-N 3.41Å
36V98.5Very high97.5Very high13 Ų1357.3 Ų57.38%0.07929%0.29CS..Hα-helixtrans-59.9-50.6178.1167.20000111.4Y32 R33 W38 L39 V40 V52 P60 V62 M82Y32-V36 WeakPolarHBondContact O-CG2 3.45Å; Y32-V36 PolarHBondContact O-N 2.72Å; R33-V36 PolarHBondContact O-N 2.92Å; V36-W38 VanDerWaalsContact C-N 3.26Å; V36-W38 PolarHBondContact O-N 2.95Å; V36-L39 PolarHBondContact O-N 2.9Å; V36-V40 HydrophobicContact CG1-CG2 4.47Å; V36-V40 WeakPolarHBondContact O-CB 3.47Å; V36-V40 VanDerWaalsContact O-CG2 3.3Å; V36-V40 WeakPolarHBondContact O-CG2 3.48Å; V36-V40 PolarHBondContact O-N 3.28Å; V36-V52 HydrophobicContact CG1-CG1 4.11Å; V36-V52 HydrophobicContact CG1-CG2 3.8Å; V36-P60 HydrophobicContact CG2-CB 4.22Å; V36-P60 HydrophobicContact CG2-CG 3.75Å; V36-V62 HydrophobicContact CB-CG2 4.15Å; V36-V62 HydrophobicContact CG1-CG2 3.84Å; V36-V62 HydrophobicContact CG2-CG2 3.83Å; V36-M82 HydrophobicContact CG2-CE 4.23Å; V36-M82 HydrophobicContact CG2-SD 3.92Å
37E98.5Very high97.5Very high123 Ų12363.2 Ų63.258%0.57532%0.316SS*.Hα-helixtrans-58.8-40.8178.2-72.4172.2-177.400111.5R33 K41R33-E37 HydrophobicContact CG-CG 4.36Å; R33-E37 WeakPolarHBondContact CG-OE1 3.23Å; R33-E37 WeakPolarHBondContact O-CG 3.49Å; R33-E37 PolarHBondContact O-N 3.34Å; E37-K41 PolarHBondContact O-N 3.15Å; E37-K41 VanDerWaalsContact O-N 3.11Å
38W98.7Very high97.5Very high42 Ų4263.1 Ų63.116%0.15932%0.315CS..Hα-helixtrans-69-43.9177.5176.776.2000112.9N16 R19 Y20 F23 P34 A35 V36 K41 L42 I120N16-W38 HydrophobicContact CB-CH2 4.25Å; N16-W38 HydrophobicContact CB-CZ2 4.18Å; N16-W38 WeakPolarHBondContact O-CH2 3.31Å; R19-W38 HydrophobicContact CB-CZ2 4Å; R19-W38 HydrophobicContact CG-CD2 4.42Å; R19-W38 HydrophobicContact CG-CZ2 3.82Å; Y20-W38 HydrophobicContact CD2-CE3 4.09Å; Y20-W38 AromaticContact CD2-CZ3 3.6Å; Y20-W38 HydrophobicContact CD2-CZ3 3.6Å; Y20-W38 HydrophobicContact CE2-CZ3 4.48Å; Y20-W38 HydrophobicContact CG-CH2 4.39Å; Y20-W38 AromaticContact CG-CZ3 3.77Å; Y20-W38 HydrophobicContact CG-CZ3 3.77Å; F23-W38 HydrophobicContact CD2-CE3 4.28Å; F23-W38 HydrophobicContact CE1-CB 4.31Å; F23-W38 HydrophobicContact CE2-CB 3.92Å; F23-W38 AromaticContact CE2-CD2 3.51Å; F23-W38 HydrophobicContact CE2-CD2 3.51Å; F23-W38 AromaticContact CE2-CE3 3.47Å; F23-W38 HydrophobicContact CE2-CE3 3.47Å; F23-W38 VanDerWaalsContact CE2-CE3 3.47Å; F23-W38 AromaticContact CE2-CG 3.72Å; F23-W38 HydrophobicContact CE2-CG 3.72Å; F23-W38 HydrophobicContact CE2-CZ3 4.19Å; F23-W38 HydrophobicContact CZ-CB 3.44Å; F23-W38 VanDerWaalsContact CZ-CB 3.44Å; F23-W38 AromaticContact CZ-CD2 3.87Å; F23-W38 HydrophobicContact CZ-CD2 3.87Å; F23-W38 HydrophobicContact CZ-CE3 4.21Å; F23-W38 AromaticContact CZ-CG 3.52Å; F23-W38 HydrophobicContact CZ-CG 3.52Å; P34-W38 WeakPolarHBondContact O-CB 3.33Å; P34-W38 PolarHBondContact O-N 3.2Å; A35-W38 PolarHBondContact O-N 3.3Å; V36-W38 VanDerWaalsContact C-N 3.26Å; V36-W38 PolarHBondContact O-N 2.95Å; W38-K41 PolarHBondContact O-N 3.45Å; W38-L42 HydrophobicContact CH2-CD2 3.88Å; W38-L42 HydrophobicContact CZ2-CD2 4.02Å; W38-L42 HydrophobicContact CZ3-CD2 4.37Å; W38-L42 WeakPolarHBondContact O-CB 3.38Å; W38-L42 PolarHBondContact O-N 3.11Å; W38-I120 HydrophobicContact CH2-CD1 3.71Å; W38-I120 HydrophobicContact CZ3-CD1 3.98Å
39L98.7Very high97.7Very high0 Ų061.3 Ų61.30%030%0.299CS..Hα-helixtrans-61.6-45.8176.4-76.4169.1000111.1Y20 A35 V36 K41 L42 G43 M64 M82 L123 F145Y20-L39 HydrophobicContact CE2-CD1 3.93Å; Y20-L39 HydrophobicContact CE2-CD2 4.24Å; Y20-L39 HydrophobicContact CE2-CG 4.24Å; A35-L39 WeakPolarHBondContact O-CB 3.3Å; A35-L39 VanDerWaalsContact O-CG 3.27Å; A35-L39 WeakPolarHBondContact O-CG 3.35Å; A35-L39 PolarHBondContact O-N 3.41Å; V36-L39 PolarHBondContact O-N 2.9Å; L39-K41 VanDerWaalsContact C-N 3.32Å; L39-K41 PolarHBondContact O-N 3.08Å; L39-L42 WeakPolarHBondContact O-CB 3.36Å; L39-L42 PolarHBondContact O-N 2.98Å; L39-L42 VanDerWaalsContact O-N 3.15Å; L39-G43 PolarHBondContact O-N 2.81Å; L39-M64 HydrophobicContact CB-CE 3.88Å; L39-M64 WeakPolarHBondContact O-CE 3.43Å; L39-M82 HydrophobicContact CD1-CG 4.46Å; L39-M82 HydrophobicContact CD1-SD 4.04Å; L39-L123 HydrophobicContact CD2-CD1 4Å; L39-F145 HydrophobicContact CD1-CB 4Å; L39-F145 HydrophobicContact CD1-CD1 3.73Å; L39-F145 HydrophobicContact CD1-CD2 4.33Å; L39-F145 HydrophobicContact CD1-CE1 4.32Å; L39-F145 HydrophobicContact CD1-CG 3.75Å; L39-F145 HydrophobicContact CD2-CD1 4.05Å; L39-F145 HydrophobicContact CD2-CE1 3.77Å; L39-F145 HydrophobicContact CD2-CE2 4.34Å; L39-F145 HydrophobicContact CD2-CG 4.45Å; L39-F145 HydrophobicContact CD2-CZ 3.96Å
40V98.5Very high97.8Very high24 Ų2455.3 Ų55.315%0.14527%0.269CS..Hα-helixtrans-57.8-46176.2168.50000110.7V36 L42 G43 Q44 C50 V52 V62V36-V40 HydrophobicContact CG1-CG2 4.47Å; V36-V40 WeakPolarHBondContact O-CB 3.47Å; V36-V40 VanDerWaalsContact O-CG2 3.3Å; V36-V40 WeakPolarHBondContact O-CG2 3.48Å; V36-V40 PolarHBondContact O-N 3.28Å; V40-L42 VanDerWaalsContact C-N 3.34Å; V40-L42 PolarHBondContact O-N 3.28Å; V40-G43 PolarHBondContact O-N 2.93Å; V40-Q44 HydrophobicContact CG1-CG 4.46Å; V40-Q44 WeakPolarHBondContact O-CB 3.15Å; V40-Q44 VanDerWaalsContact O-CG 3.27Å; V40-Q44 WeakPolarHBondContact O-CG 3.41Å; V40-Q44 PolarHBondContact O-N 3.3Å; V40-C50 HydrophobicContact CG1-CB 4.01Å; V40-C50 HydrophobicContact CG2-CB 4.48Å; V40-V52 HydrophobicContact CG2-CG2 3.66Å; V40-V62 HydrophobicContact CG2-CG1 3.96Å
41K98.4Very high97.8Very high122 Ų12256.9 Ų56.953%0.5327%0.273SS..Hα-helixtrans-60.2-44.3176.1-177.3179.1176-179.40111.7E37 W38 L39 G43 Q44 E45E37-K41 PolarHBondContact O-N 3.15Å; E37-K41 VanDerWaalsContact O-N 3.11Å; W38-K41 PolarHBondContact O-N 3.45Å; L39-K41 VanDerWaalsContact C-N 3.32Å; L39-K41 PolarHBondContact O-N 3.08Å; K41-G43 VanDerWaalsContact C-N 3.35Å; K41-G43 PolarHBondContact O-N 3.25Å; K41-Q44 PolarHBondContact O-N 2.78Å; K41-E45 VanDerWaalsContact CE-OE1 3.25Å; K41-E45 WeakPolarHBondContact CE-OE1 3.28Å; K41-E45 WeakPolarHBondContact O-CG 3.48Å; K41-E45 PolarHBondContact O-N 3.31Å
42L98.1Very high97.7Very high5 Ų556.3 Ų56.33%0.02627%0.266CS..Hα-helixtrans-63.4-40.7179.5-167.363.7000112.1W38 L39 V40 E45 L46 L123W38-L42 HydrophobicContact CH2-CD2 3.88Å; W38-L42 HydrophobicContact CZ2-CD2 4.02Å; W38-L42 HydrophobicContact CZ3-CD2 4.37Å; W38-L42 WeakPolarHBondContact O-CB 3.38Å; W38-L42 PolarHBondContact O-N 3.11Å; L39-L42 WeakPolarHBondContact O-CB 3.36Å; L39-L42 PolarHBondContact O-N 2.98Å; L39-L42 VanDerWaalsContact O-N 3.15Å; V40-L42 VanDerWaalsContact C-N 3.34Å; V40-L42 PolarHBondContact O-N 3.28Å; L42-E45 PolarHBondContact O-N 3.22Å; L42-L46 WeakPolarHBondContact O-CG 3.06Å; L42-L46 PolarHBondContact O-N 2.88Å; L42-L123 HydrophobicContact CD2-CD1 3.94Å
43G98.3Very high97.5Very high0 Ų056.1 Ų56.10%027%0.266CS..Hα-helixtrans-64.9-40.5173.900000112.9L39 V40 K41 L46 Q47 L48L39-G43 PolarHBondContact O-N 2.81Å; V40-G43 PolarHBondContact O-N 2.93Å; K41-G43 VanDerWaalsContact C-N 3.35Å; K41-G43 PolarHBondContact O-N 3.25Å; G43-L46 CarbonylContact O-C 3.45Å; G43-L46 WeakPolarHBondContact O-CA 3.45Å; G43-L46 WeakPolarHBondContact O-CB 3.45Å; G43-L46 PolarHBondContact O-N 3.5Å; G43-L46 VanDerWaalsContact O-N 3.13Å; G43-Q47 PolarHBondContact O-N 3.48Å; G43-L48 WeakPolarHBondContact O-CB 3.49Å; G43-L48 PolarHBondContact O-N 2.97Å
44Q98.1Very high97.2Very high116 Ų11653 Ų5354%0.54226%0.259SS..Hα-helixtrans-66-39.3175.9-73171.4-11.400112.6V40 K41 L46 Q47 C50V40-Q44 HydrophobicContact CG1-CG 4.46Å; V40-Q44 WeakPolarHBondContact O-CB 3.15Å; V40-Q44 VanDerWaalsContact O-CG 3.27Å; V40-Q44 WeakPolarHBondContact O-CG 3.41Å; V40-Q44 PolarHBondContact O-N 3.3Å; K41-Q44 PolarHBondContact O-N 2.78Å; Q44-L46 PolarHBondContact O-N 3.35Å; Q44-Q47 WeakPolarHBondContact O-CA 3.44Å; Q44-Q47 PolarHBondContact O-N 2.83Å; Q44-C50 HydrophobicContact CG-CB 4.46Å
45E97.3Very high96.8Very high111 Ų11152 Ų5252%0.51925%0.25SS..Hα-helixtrans-59.2-31.7172-74.3172.3-172.100111.7K41 L42 Q47K41-E45 VanDerWaalsContact CE-OE1 3.25Å; K41-E45 WeakPolarHBondContact CE-OE1 3.28Å; K41-E45 WeakPolarHBondContact O-CG 3.48Å; K41-E45 PolarHBondContact O-N 3.31Å; L42-E45 PolarHBondContact O-N 3.22Å; E45-Q47 VanDerWaalsContact C-N 3.26Å; E45-Q47 PolarHBondContact O-N 3.1Å
46L97.4Very high96.5Very high9 Ų953.8 Ų53.85%0.04726%0.261CS..THydrogen-bonded Turntrans-83.67172.9-67.4176.8000113.5L42 G43 Q44 L48 L123 R127 K130L42-L46 WeakPolarHBondContact O-CG 3.06Å; L42-L46 PolarHBondContact O-N 2.88Å; G43-L46 CarbonylContact O-C 3.45Å; G43-L46 WeakPolarHBondContact O-CA 3.45Å; G43-L46 WeakPolarHBondContact O-CB 3.45Å; G43-L46 PolarHBondContact O-N 3.5Å; G43-L46 VanDerWaalsContact O-N 3.13Å; Q44-L46 PolarHBondContact O-N 3.35Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 HydrophobicContact CB-CD1 4.29Å; L46-L48 HydrophobicContact CB-CG 4.06Å; L46-L48 PolarHBondContact O-N 3.38Å; L46-L123 HydrophobicContact CD1-CD2 4.22Å; L46-R127 HydrophobicContact CD2-CB 3.68Å; L46-R127 HydrophobicContact CD2-CG 3.75Å; L46-K130 WeakPolarHBondContact O-CD 3.42Å; L46-K130 WeakPolarHBondContact O-CE 3.49Å; L46-K130 PolarHBondContact O-NZ 3.2Å
47Q97.3Very high96.1Very high152 Ų15257.7 Ų57.771%0.7129%0.287SS*.THydrogen-bonded Turntrans55.740.3-176.5-54.1174.2-19.600112.6G43 Q44 E45 K130G43-Q47 PolarHBondContact O-N 3.48Å; Q44-Q47 WeakPolarHBondContact O-CA 3.44Å; Q44-Q47 PolarHBondContact O-N 2.83Å; E45-Q47 VanDerWaalsContact C-N 3.26Å; E45-Q47 PolarHBondContact O-N 3.1Å; Q47-K130 PolarHBondContact O-NZ 3.05Å
48L98Very high95.9Very high11 Ų1157.8 Ų57.86%0.05829%0.291CS..  trans-95.1150.5170.1-56.9179.1000109.8G43 L46 C50 M64 W66 I126 L143G43-L48 WeakPolarHBondContact O-CB 3.49Å; G43-L48 PolarHBondContact O-N 2.97Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 HydrophobicContact CB-CD1 4.29Å; L46-L48 HydrophobicContact CB-CG 4.06Å; L46-L48 PolarHBondContact O-N 3.38Å; L48-C50 PolarHBondContact O-N 3.24Å; L48-M64 HydrophobicContact CB-CB 4.31Å; L48-M64 HydrophobicContact CD1-CB 4.01Å; L48-M64 HydrophobicContact CD1-SD 4.15Å; L48-W66 HydrophobicContact CD2-CB 3.6Å; L48-W66 HydrophobicContact CD2-CD2 4.41Å; L48-W66 HydrophobicContact CD2-CG 3.84Å; L48-I126 HydrophobicContact CD1-CD1 4.31Å; L48-I126 HydrophobicContact CD2-CG2 4.37Å; L48-L143 HydrophobicContact CD1-CD1 4.15Å
49I96.8Very high95.7Very high67 Ų6756.6 Ų56.634%0.34429%0.288SS..EExtended strand (participates in β ladder)trans-79.8114.8170.3-64.2168.4000107.2M64 R65 D67I49-M64 CarbonylContact O-C 3.41Å; I49-M64 WeakPolarHBondContact O-CA 3.42Å; I49-R65 HydrophobicContact CB-CB 4.3Å; I49-R65 PolarHBondContact N-O 3.01Å; I49-R65 PolarHBondContact O-N 3.31Å; I49-D67 VanDerWaalsContact CD1-OD2 3.23Å; I49-D67 WeakPolarHBondContact CD1-OD2 3.5Å
50C97.1Very high95.5Very high19 Ų1957.2 Ų57.213%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-106.7127.9-178.7-59.20000110.6V40 Q44 L48 I63V40-C50 HydrophobicContact CG1-CB 4.01Å; V40-C50 HydrophobicContact CG2-CB 4.48Å; Q44-C50 HydrophobicContact CG-CB 4.46Å; L48-C50 PolarHBondContact O-N 3.24Å; C50-I63 WeakPolarHBondContact CA-O 3.42Å
51K95.8Very high95.5Very high62 Ų6256.2 Ų56.227%0.2729%0.286SS..EExtended strand (participates in β ladder)trans-128148.5170.7-66.2-64.1-172.1-179.50109.3I63 E173 I175K51-I63 PolarHBondContact N-O 3.49Å; K51-I63 PolarHBondContact O-N 2.84Å; K51-E173 WeakPolarHBondContact CD-O 3.37Å; K51-E173 VanDerWaalsContact CE-O 3.3Å; K51-E173 WeakPolarHBondContact CE-O 3.26Å; K51-E173 IonicContact NZ-OE2 3.57Å; K51-E173 PolarHBondContact NZ-OE2 3.11Å; K51-I175 HydrophobicContact CB-CD1 3.97Å; K51-I175 HydrophobicContact CB-CG1 4.21Å; K51-I175 HydrophobicContact CG-CD1 3.86Å; K51-I175 HydrophobicContact CG-CG1 4.03Å
52V95.2Very high95.4Very high65 Ų6550.4 Ų50.439%0.39426%0.26SS..EExtended strand (participates in β ladder)trans-116.5127.2172.9-177.40000106.8V36 V40 P60 I61V36-V52 HydrophobicContact CG1-CG1 4.11Å; V36-V52 HydrophobicContact CG1-CG2 3.8Å; V40-V52 HydrophobicContact CG2-CG2 3.66Å; V52-P60 HydrophobicContact CG1-CB 3.79Å; V52-I61 WeakPolarHBondContact CA-O 3.3Å
53V92.9Very high95.4Very high5 Ų550.1 Ų50.13%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-116.3134.3178.8-176.60000108.1I55 P60 I61 I63V53-I55 HydrophobicContact CG1-CD1 4.33Å; V53-I55 HydrophobicContact CG1-CG1 3.87Å; V53-P60 CarbonylContact O-C 3.57Å; V53-I61 PolarHBondContact N-O 3.36Å; V53-I61 PolarHBondContact O-N 3.47Å; V53-I63 HydrophobicContact CG2-CD1 3.79Å
54E91.1Very high95.4Very high109 Ų10950.1 Ų50.151%0.50926%0.259SS..EExtended strand (participates in β ladder)trans-128.886.2-178.1-168.6175.4163.400109.2V56 P57 D58E54-V56 WeakPolarHBondContact CG-O 3.31Å; E54-P57 WeakPolarHBondContact OE1-CA 3.35Å; E54-D58 PolarHBondContact OE1-N 3.29Å
55I90.1Very high95.4Very high36 Ų3648.1 Ų48.119%0.18525%0.246CC..EExtended strand (participates in β ladder)trans-78-38.8-177.5-62171.4000110.7V53 P159 F160V53-I55 HydrophobicContact CG1-CD1 4.33Å; V53-I55 HydrophobicContact CG1-CG1 3.87Å; I55-P159 HydrophobicContact CG2-CB 3.89Å; I55-F160 VanDerWaalsContact CD1-CA 3.41Å; I55-F160 HydrophobicContact CD1-CB 3.95Å; I55-F160 HydrophobicContact CD1-CD2 3.85Å; I55-F160 HydrophobicContact CD1-CG 4.42Å
56V91.4Very high95.5Very high39 Ų3943.3 Ų43.324%0.23622%0.224CC..EExtended strand (participates in β ladder)trans-111.1129.7172.6-179.40000106.8E54 D58 N59 K155 P159E54-V56 WeakPolarHBondContact CG-O 3.31Å; V56-D58 PolarHBondContact O-N 2.77Å; V56-N59 HydrophobicContact CB-CB 4.13Å; V56-N59 WeakPolarHBondContact O-CB 3.31Å; V56-N59 PolarHBondContact O-N 2.92Å; V56-K155 HydrophobicContact CB-CB 4.29Å; V56-K155 HydrophobicContact CG1-CB 4.1Å; V56-K155 HydrophobicContact CG1-CD 4.39Å; V56-K155 HydrophobicContact CG1-CG 4.2Å; V56-K155 HydrophobicContact CG2-CB 4.34Å; V56-P159 HydrophobicContact CG2-CB 4.41Å; V56-P159 HydrophobicContact CG2-CG 4.05Å
57P91.4Very high95.5Very high94 Ų9445.8 Ų45.861%0.6124%0.237SC*.THydrogen-bonded Turntrans-50.4141.2177.9-28.635.3000112.4E54 N59E54-P57 WeakPolarHBondContact OE1-CA 3.35Å; P57-N59 PolarHBondContact O-N 2.83Å; P57-N59 VanDerWaalsContact O-N 3.13Å; P57-N59 PolarHBondContact O-ND2 2.85Å
58D92.3Very high95.5Very high125 Ų12538.9 Ų38.967%0.66821%0.206SC*.THydrogen-bonded Turntrans62.310.7-177.9-57.5-57.5000114.9Y32 E54 V56 P60Y32-D58 WeakPolarHBondContact CD2-O 3.42Å; E54-D58 PolarHBondContact OE1-N 3.29Å; V56-D58 PolarHBondContact O-N 2.77Å; D58-P60 VanDerWaalsContact C-CD 3.4Å; D58-P60 WeakPolarHBondContact O-CD 3.36Å
59N94.7Very high95.5Very high18 Ų1843.1 Ų43.110%0.09622%0.222CC..EExtended strand (participates in β ladder)trans-122.171.9177.6-67.4-94.2000109.9V56 P57 P147 K155V56-N59 HydrophobicContact CB-CB 4.13Å; V56-N59 WeakPolarHBondContact O-CB 3.31Å; V56-N59 PolarHBondContact O-N 2.92Å; P57-N59 PolarHBondContact O-N 2.83Å; P57-N59 VanDerWaalsContact O-N 3.13Å; P57-N59 PolarHBondContact O-ND2 2.85Å; N59-P147 HydrophobicContact CB-CB 4.21Å; N59-P147 HydrophobicContact CB-CG 3.7Å; N59-K155 HydrophobicContact CB-CB 4.32Å
60P96Very high95.6Very high13 Ų1343 Ų438%0.08422%0.22CC..EExtended strand (participates in β ladder)trans-74.6143.4-179.431.5-35.6000111.8Y32 V36 V52 V53 D58 M82 P147Y32-P60 HydrophobicContact CD2-CG 4.41Å; Y32-P60 HydrophobicContact CG-CG 4.31Å; V36-P60 HydrophobicContact CG2-CB 4.22Å; V36-P60 HydrophobicContact CG2-CG 3.75Å; V52-P60 HydrophobicContact CG1-CB 3.79Å; V53-P60 CarbonylContact O-C 3.57Å; D58-P60 VanDerWaalsContact C-CD 3.4Å; D58-P60 WeakPolarHBondContact O-CD 3.36Å; P60-M82 WeakPolarHBondContact O-CE 3.12Å; P60-P147 WeakPolarHBondContact O-CD 3.38Å
61I97Very high95.5Very high2 Ų245.9 Ų45.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-112120.3170.7-60.5171.2000107.8V52 V53 I63 F145 V146 P147 F160V52-I61 WeakPolarHBondContact CA-O 3.3Å; V53-I61 PolarHBondContact N-O 3.36Å; V53-I61 PolarHBondContact O-N 3.47Å; I61-I63 HydrophobicContact CG2-CD1 4.39Å; I61-I63 HydrophobicContact CG2-CG1 3.87Å; I61-F145 WeakPolarHBondContact CA-O 3.13Å; I61-V146 HydrophobicContact CG1-CG1 4.4Å; I61-V146 HydrophobicContact CG2-CG1 3.97Å; I61-P147 HydrophobicContact CG1-CG 4.39Å; I61-F160 HydrophobicContact CD1-CB 3.49Å; I61-F160 VanDerWaalsContact CD1-CB 3.49Å; I61-F160 HydrophobicContact CD1-CD1 4.29Å; I61-F160 HydrophobicContact CD1-CD2 3.99Å; I61-F160 HydrophobicContact CD1-CG 3.68Å
62V98.1Very high95.5Very high0 Ų049 Ų490%025%0.254CS..EExtended strand (participates in β ladder)trans-87.8125.8172.1-170.60000108.5V36 V40 M64 M82 T144 F145V36-V62 HydrophobicContact CB-CG2 4.15Å; V36-V62 HydrophobicContact CG1-CG2 3.84Å; V36-V62 HydrophobicContact CG2-CG2 3.83Å; V40-V62 HydrophobicContact CG2-CG1 3.96Å; V62-M64 HydrophobicContact CG1-CE 3.96Å; V62-M64 HydrophobicContact CG1-CG 4.31Å; V62-M82 HydrophobicContact CG2-SD 4.4Å; V62-T144 WeakPolarHBondContact O-CA 3.5Å; V62-F145 HydrophobicContact CB-CB 4.05Å; V62-F145 HydrophobicContact CB-CD2 4.33Å; V62-F145 HydrophobicContact CG2-CB 4.4Å; V62-F145 PolarHBondContact N-O 2.92Å; V62-F145 PolarHBondContact O-N 3.07Å
63I98.1Very high95.6Very high0 Ų047.3 Ų47.30%024%0.243CC..EExtended strand (participates in β ladder)trans-119.3119.7177.2-52.6172000107.7C50 K51 V53 I61 Y142 L143 T144 F160 I175C50-I63 WeakPolarHBondContact CA-O 3.42Å; K51-I63 PolarHBondContact N-O 3.49Å; K51-I63 PolarHBondContact O-N 2.84Å; V53-I63 HydrophobicContact CG2-CD1 3.79Å; I61-I63 HydrophobicContact CG2-CD1 4.39Å; I61-I63 HydrophobicContact CG2-CG1 3.87Å; I63-Y142 HydrophobicContact CG2-CD1 3.89Å; I63-Y142 HydrophobicContact CG2-CE1 4.47Å; I63-L143 WeakPolarHBondContact CA-O 3.25Å; I63-T144 HydrophobicContact CG1-CG2 4.26Å; I63-T144 HydrophobicContact CG2-CG2 4.41Å; I63-F160 HydrophobicContact CD1-CE1 4.46Å; I63-F160 HydrophobicContact CD1-CE2 3.69Å; I63-F160 HydrophobicContact CD1-CZ 3.47Å; I63-F160 VanDerWaalsContact CD1-CZ 3.47Å; I63-F160 HydrophobicContact CG1-CZ 4.38Å; I63-I175 HydrophobicContact CB-CD1 4.27Å; I63-I175 HydrophobicContact CD1-CB 3.91Å; I63-I175 HydrophobicContact CD1-CG2 4.08Å; I63-I175 HydrophobicContact CG2-CB 4.45Å; I63-I175 HydrophobicContact CG2-CD1 3.79Å; I63-I175 HydrophobicContact CG2-CG2 4.18Å
64M98.1Very high95.8Very high0 Ų049.5 Ų49.50%026%0.257CS..EExtended strand (participates in β ladder)trans-110.3129.4172.8-49.4-170.9-169.800109.1L39 L48 I49 V62 L123 Y142 L143 F145L39-M64 HydrophobicContact CB-CE 3.88Å; L39-M64 WeakPolarHBondContact O-CE 3.43Å; L48-M64 HydrophobicContact CB-CB 4.31Å; L48-M64 HydrophobicContact CD1-CB 4.01Å; L48-M64 HydrophobicContact CD1-SD 4.15Å; I49-M64 CarbonylContact O-C 3.41Å; I49-M64 WeakPolarHBondContact O-CA 3.42Å; V62-M64 HydrophobicContact CG1-CE 3.96Å; V62-M64 HydrophobicContact CG1-CG 4.31Å; M64-L123 HydrophobicContact CE-CD2 4.23Å; M64-L123 HydrophobicContact SD-CD2 3.61Å; M64-Y142 CarbonylContact O-C 3.58Å; M64-Y142 VanDerWaalsContact O-CA 3.28Å; M64-Y142 WeakPolarHBondContact O-CA 3.25Å; M64-L143 HydrophobicContact CB-CB 4.24Å; M64-L143 HydrophobicContact CB-CD1 4.16Å; M64-L143 PolarHBondContact N-O 2.99Å; M64-L143 PolarHBondContact O-N 3.3Å; M64-F145 HydrophobicContact CE-CD2 4.11Å; M64-F145 HydrophobicContact CE-CE2 3.75Å; M64-F145 HydrophobicContact SD-CE2 4.35Å
65R98.1Very high96.1Very high73 Ų7344.4 Ų44.428%0.27523%0.234SC..EExtended strand (participates in β ladder)trans-114.9125.9-179.7-172.3179.981.8-173.89.1110.5I49 D67 T140 Y142I49-R65 HydrophobicContact CB-CB 4.3Å; I49-R65 PolarHBondContact N-O 3.01Å; I49-R65 PolarHBondContact O-N 3.31Å; R65-D67 WeakPolarHBondContact CD-OD1 3.34Å; R65-D67 IonicContact CZ-OD1 2.8Å; R65-D67 IonicContact NE-OD1 3.73Å; R65-D67 PolarHBondContact NE-OD1 3.37Å; R65-D67 IonicContact NE-OD2 2.74Å; R65-D67 IonicContact NH2-OD1 3.32Å; R65-D67 PolarHBondContact NH2-OD1 3.29Å; R65-D67 VanDerWaalsContact NH2-OD1 3.1Å; R65-D67 IonicContact NH2-OD2 3.17Å; R65-D67 PolarHBondContact NH2-OD2 3.27Å; R65-T140 HydrophobicContact CG-CG2 3.64Å; R65-Y142 HydrophobicContact CB-CD1 3.9Å; R65-Y142 HydrophobicContact CB-CE1 3.7Å; R65-Y142 VanDerWaalsContact CD-CE1 3.45Å; R65-Y142 VanDerWaalsContact CD-OH 3.31Å; R65-Y142 WeakPolarHBondContact CD-OH 3.36Å; R65-Y142 HydrophobicContact CG-CD1 3.92Å; R65-Y142 HydrophobicContact CG-CE1 3.4Å; R65-Y142 VanDerWaalsContact CG-CE1 3.4Å
66W98.2Very high96.5Very high10 Ų1042.7 Ų42.74%0.03823%0.225CC..EExtended strand (participates in β ladder)trans-103.9107165.1-166.9-2.8000108.7L48 G68 I126 L129 K130 C134 H135 L137 T140 V141L48-W66 HydrophobicContact CD2-CB 3.6Å; L48-W66 HydrophobicContact CD2-CD2 4.41Å; L48-W66 HydrophobicContact CD2-CG 3.84Å; W66-G68 PolarHBondContact O-N 3.47Å; W66-I126 HydrophobicContact CD2-CG2 4.38Å; W66-I126 HydrophobicContact CE3-CB 4.36Å; W66-I126 HydrophobicContact CE3-CD1 4.07Å; W66-I126 HydrophobicContact CE3-CG1 3.88Å; W66-I126 HydrophobicContact CE3-CG2 3.74Å; W66-I126 HydrophobicContact CH2-CG2 4.36Å; W66-I126 HydrophobicContact CZ3-CB 4.16Å; W66-I126 HydrophobicContact CZ3-CG1 3.87Å; W66-I126 HydrophobicContact CZ3-CG2 3.73Å; W66-L129 HydrophobicContact CH2-CB 3.91Å; W66-L129 HydrophobicContact CH2-CD1 4.11Å; W66-L129 HydrophobicContact CZ3-CB 4.42Å; W66-L129 HydrophobicContact CZ3-CD1 3.98Å; W66-K130 VanDerWaalsContact CE2-CE 3.49Å; W66-K130 HydrophobicContact CH2-CG 4.21Å; W66-K130 HydrophobicContact CZ2-CG 4Å; W66-C134 VanDerWaalsContact CZ2-O 3.31Å; W66-C134 WeakPolarHBondContact CZ2-O 3.44Å; W66-H135 PolarHBondContact NE1-O 3.44Å; W66-L137 HydrophobicContact CD2-CD1 4.4Å; W66-L137 HydrophobicContact CE3-CD1 3.86Å; W66-L137 HydrophobicContact CH2-CD1 3.79Å; W66-L137 HydrophobicContact CH2-CG 4.12Å; W66-L137 HydrophobicContact CZ2-CD1 4.32Å; W66-L137 HydrophobicContact CZ2-CG 4.32Å; W66-L137 HydrophobicContact CZ3-CD1 3.52Å; W66-L137 HydrophobicContact CZ3-CG 4.35Å; W66-T140 WeakPolarHBondContact O-CA 3.46Å; W66-T140 WeakPolarHBondContact O-CG2 3.4Å; W66-V141 HydrophobicContact CB-CB 4.32Å; W66-V141 PolarHBondContact N-O 2.78Å; W66-V141 PolarHBondContact O-N 3.11Å
67D97.8Very high96.9Very high62 Ų6240.9 Ų40.933%0.33221%0.214SC..  trans-62.6127.3-176.9-73.4-38.5000111.8I49 R65 Q136I49-D67 VanDerWaalsContact CD1-OD2 3.23Å; I49-D67 WeakPolarHBondContact CD1-OD2 3.5Å; R65-D67 WeakPolarHBondContact CD-OD1 3.34Å; R65-D67 IonicContact CZ-OD1 2.8Å; R65-D67 IonicContact NE-OD1 3.73Å; R65-D67 PolarHBondContact NE-OD1 3.37Å; R65-D67 IonicContact NE-OD2 2.74Å; R65-D67 IonicContact NH2-OD1 3.32Å; R65-D67 PolarHBondContact NH2-OD1 3.29Å; R65-D67 VanDerWaalsContact NH2-OD1 3.1Å; R65-D67 IonicContact NH2-OD2 3.17Å; R65-D67 PolarHBondContact NH2-OD2 3.27Å; D67-Q136 WeakPolarHBondContact O-CG 3.4Å
68G98.1Very high97.2Very high6 Ų636.4 Ų36.46%0.06219%0.185CC..  trans-79.7160.1169.300000111.8W66 Q70 L137 T140W66-G68 PolarHBondContact O-N 3.47Å; G68-Q70 VanDerWaalsContact C-N 3.26Å; G68-L137 CarbonylContact C-O 3.12Å; G68-L137 WeakPolarHBondContact CA-O 3.29Å; G68-T140 PolarHBondContact N-OG1 2.89Å; G68-T140 VanDerWaalsContact N-OG1 3.15Å
69Y98Very high97.5Very high100 Ų10030.5 Ų30.539%0.39215%0.153SC..SBendtrans-78.6-10.6172.264.9-102.5000113.3Q136 L137 R138 E427Y69-Q136 HydrophobicContact CD1-CG 4.45Å; Y69-L137 VanDerWaalsContact CD1-C 3.41Å; Y69-L137 WeakPolarHBondContact CD1-O 3.32Å; Y69-L137 VanDerWaalsContact CE1-C 3.48Å; Y69-L137 PolarHBondContact N-O 3.2Å; Y69-R138 HydrophobicContact CD1-CB 4.47Å; Y69-R138 HydrophobicContact CE1-CB 3.67Å; Y69-R138 HydrophobicContact CE1-CG 4.3Å; Y69-R138 HydrophobicContact CE2-CB 4.05Å; Y69-R138 HydrophobicContact CE2-CG 3.73Å; Y69-R138 VanDerWaalsContact CZ-CA 3.41Å; Y69-R138 PolarHBondContact N-O 3Å; Y69-R138 VanDerWaalsContact OH-CB 3.25Å; Y69-R138 WeakPolarHBondContact OH-CB 3.27Å; Y69-R138 WeakPolarHBondContact OH-CG 3.43Å; Y69-R138 PolarHBondContact OH-NE 3.35Å; Y69-R138 PolarHBondContact OH-NH2 3.27Å; Y69-E427 PolarHBondContact OH-OE2 3.01Å
70Q98Very high97.7Very high66 Ų6629.6 Ų29.631%0.30815%0.148SC..  trans-128.873.9172.4-77.7175.8-4.800110.3G68 E72 L73 R138G68-Q70 VanDerWaalsContact C-N 3.26Å; Q70-E72 WeakPolarHBondContact CA-OE2 3.39Å; Q70-E72 WeakPolarHBondContact CB-OE1 3.39Å; Q70-E72 WeakPolarHBondContact CG-OE1 3.33Å; Q70-E72 PolarHBondContact O-N 3.23Å; Q70-L73 HydrophobicContact CB-CD1 3.86Å; Q70-L73 HydrophobicContact CB-CG 4.06Å; Q70-L73 WeakPolarHBondContact O-CB 3.46Å; Q70-L73 PolarHBondContact O-N 3.29Å; Q70-L73 VanDerWaalsContact O-N 3.13Å; Q70-R138 HydrophobicContact CB-CG 4.19Å; Q70-R138 HydrophobicContact CG-CG 4.49Å; Q70-R138 PolarHBondContact N-O 2.97Å; Q70-R138 VanDerWaalsContact OE1-CG 3.3Å
71P95.9Very high97.8Very high79 Ų7929 Ų2951%0.51315%0.145SC..THydrogen-bonded Turntrans-66.7-15.1-175.528.9-36.7000114.2L73P71-L73 VanDerWaalsContact C-N 3.26Å
72E95.9Very high97.9Very high128 Ų12829 Ų2960%0.59814%0.144SC*.THydrogen-bonded Turntrans-69.4-24173.271.2-76.1-178.600113Q70 N181Q70-E72 WeakPolarHBondContact CA-OE2 3.39Å; Q70-E72 WeakPolarHBondContact CB-OE1 3.39Å; Q70-E72 WeakPolarHBondContact CG-OE1 3.33Å; Q70-E72 PolarHBondContact O-N 3.23Å; E72-N181 PolarHBondContact O-ND2 2.93Å; E72-N181 VanDerWaalsContact O-ND2 3.13Å
73L97.1Very high97.9Very high29 Ų2929 Ų2915%0.15214%0.144CC..SBendtrans-70.3145.2175.6-73-179.6000110.7Q70 P71 A75 R138 R139 N181Q70-L73 HydrophobicContact CB-CD1 3.86Å; Q70-L73 HydrophobicContact CB-CG 4.06Å; Q70-L73 WeakPolarHBondContact O-CB 3.46Å; Q70-L73 PolarHBondContact O-N 3.29Å; Q70-L73 VanDerWaalsContact O-N 3.13Å; P71-L73 VanDerWaalsContact C-N 3.26Å; L73-A75 PolarHBondContact O-N 2.99Å; L73-A75 VanDerWaalsContact O-N 3.15Å; L73-R138 HydrophobicContact CD1-CG 3.67Å; L73-R139 HydrophobicContact CB-CG 3.99Å; L73-R139 HydrophobicContact CD1-CG 4.13Å; L73-N181 PolarHBondContact O-ND2 3.47Å
74P96.6Very high97.9Very high51 Ų5129 Ų2933%0.33114%0.144SC..PPolyproline II helixtrans-53.3124174.8-25.129.5000111.7R139 N181P74-R139 WeakPolarHBondContact O-CD 3.42Å; P74-R139 PolarHBondContact O-NH1 3.31Å; P74-N181 CarbonylContact C-O 3.52Å; P74-N181 WeakPolarHBondContact CA-O 3.5Å
75A97.9Very high97.9Very high2 Ų230 Ų302%0.01715%0.151CC..EExtended strand (participates in β ladder)trans-76.6161.7-175.700000111.9L73 T140 Y142 M180 N181 I182 G183 F184L73-A75 PolarHBondContact O-N 2.99Å; L73-A75 VanDerWaalsContact O-N 3.15Å; A75-T140 WeakPolarHBondContact CA-O 3.43Å; A75-T140 VanDerWaalsContact CB-O 3.31Å; A75-T140 WeakPolarHBondContact CB-O 3.38Å; A75-Y142 HydrophobicContact CB-CD2 3.97Å; A75-Y142 HydrophobicContact CB-CE2 3.84Å; A75-M180 VanDerWaalsContact CB-O 3.3Å; A75-M180 WeakPolarHBondContact CB-O 3.22Å; A75-N181 PolarHBondContact N-O 3.39Å; A75-I182 HydrophobicContact CB-CD1 3.98Å; A75-G183 PolarHBondContact O-N 2.89Å; A75-F184 PolarHBondContact O-N 3.02Å
76I98.5Very high97.9Very high0 Ų030.3 Ų30.30%016%0.162CC..EExtended strand (participates in β ladder)trans-102.3134.7174.1-64.8163.4000108.6L78 T140 V141 Y142 F184 W340 L425 A426I76-L78 HydrophobicContact CG2-CD2 3.88Å; I76-L78 HydrophobicContact CG2-CG 4.43Å; I76-T140 PolarHBondContact N-O 3.04Å; I76-V141 CarbonylContact O-C 3.45Å; I76-V141 WeakPolarHBondContact O-CA 3.35Å; I76-Y142 PolarHBondContact O-N 3.35Å; I76-F184 CarbonylContact C-O 3.58Å; I76-F184 WeakPolarHBondContact CA-O 3.32Å; I76-F184 HydrophobicContact CG1-CB 4.5Å; I76-F184 HydrophobicContact CG1-CD1 4.34Å; I76-F184 HydrophobicContact CG2-CD1 4.14Å; I76-W340 HydrophobicContact CD1-CZ3 4.21Å; I76-W340 HydrophobicContact CG1-CH2 4.44Å; I76-W340 HydrophobicContact CG1-CZ3 4.17Å; I76-L425 HydrophobicContact CD1-CB 3.56Å; I76-A426 HydrophobicContact CD1-CB 3.79Å; I76-A426 VanDerWaalsContact CD1-N 3.27Å
77M98.7Very high97.8Very high0 Ų031.4 Ų31.40%017%0.17CC..EExtended strand (participates in β ladder)trans-110.1129.2171.7-175.9171.6167.800109.5N79 Y142 T144 M157 F177 M180 I182 F184 C185 L186M77-N79 HydrophobicContact CE-CB 4.22Å; M77-Y142 CarbonylContact C-O 3.58Å; M77-T144 HydrophobicContact CE-CG2 3.81Å; M77-T144 WeakPolarHBondContact CE-OG1 3.43Å; M77-M157 HydrophobicContact CE-CE 3.45Å; M77-M157 VanDerWaalsContact CE-CE 3.45Å; M77-M157 HydrophobicContact CE-SD 4.01Å; M77-F177 HydrophobicContact CE-CE2 4.45Å; M77-F177 HydrophobicContact SD-CE2 3.95Å; M77-M180 HydrophobicContact SD-CE 4.21Å; M77-I182 HydrophobicContact CB-CD1 3.86Å; M77-I182 HydrophobicContact CB-CG1 4.23Å; M77-I182 HydrophobicContact CB-CG2 3.89Å; M77-I182 HydrophobicContact SD-CG1 4.2Å; M77-F184 PolarHBondContact N-O 3.39Å; M77-C185 HydrophobicContact CB-CB 4.25Å; M77-C185 CarbonylContact O-C 3.52Å; M77-C185 VanDerWaalsContact O-CA 3.27Å; M77-C185 WeakPolarHBondContact O-CA 3.39Å; M77-L186 PolarHBondContact O-N 3.34Å
78L98.8Very high97.7Very high0 Ų031.5 Ų31.50%017%0.172CC..EExtended strand (participates in β ladder)trans-10999.8171.2-52179.6000106.3I76 Q122 V141 Y142 L143 T144 L186 V422I76-L78 HydrophobicContact CG2-CD2 3.88Å; I76-L78 HydrophobicContact CG2-CG 4.43Å; L78-Q122 HydrophobicContact CB-CG 4.21Å; L78-Q122 HydrophobicContact CD1-CB 4.26Å; L78-Q122 HydrophobicContact CD1-CG 4.37Å; L78-V141 HydrophobicContact CD1-CG1 3.87Å; L78-V141 HydrophobicContact CG-CG1 4.09Å; L78-Y142 PolarHBondContact N-O 3.33Å; L78-L143 HydrophobicContact CB-CG 4.35Å; L78-L143 HydrophobicContact CD1-CD2 4.41Å; L78-L143 HydrophobicContact CD1-CG 4.26Å; L78-L143 WeakPolarHBondContact O-CA 3.39Å; L78-T144 PolarHBondContact O-N 3.19Å; L78-L186 HydrophobicContact CD2-CB 4.06Å; L78-L186 HydrophobicContact CD2-CD1 3.88Å; L78-L186 HydrophobicContact CD2-CG 4.23Å; L78-V422 HydrophobicContact CD1-CG1 4.42Å; L78-V422 HydrophobicContact CD1-CG2 3.57Å; L78-V422 HydrophobicContact CD2-CG2 4.15Å
79N98.7Very high97.6Very high1 Ų137 Ų371%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-88.9145.9-177.8-168.654.2000111.1M77 Q122 T144 M157 L186 D187M77-N79 HydrophobicContact CE-CB 4.22Å; N79-Q122 PolarHBondContact O-NE2 2.68Å; N79-Q122 VanDerWaalsContact O-NE2 3.13Å; N79-T144 WeakPolarHBondContact CA-OG1 3.48Å; N79-T144 PolarHBondContact OD1-OG1 3.47Å; N79-M157 HydrophobicContact CB-CE 4.49Å; N79-M157 VanDerWaalsContact CG-CE 3.44Å; N79-M157 WeakPolarHBondContact OD1-CE 3.1Å; N79-L186 PolarHBondContact N-O 2.97Å; N79-D187 PolarHBondContact ND2-OD1 3.4Å
80S98.4Very high97.6Very high0 Ų040.1 Ų40.10%022%0.215CC..EExtended strand (participates in β ladder)trans-151.7153164.561.60000110.6M115 T144 F145 V146S80-M115 WeakPolarHBondContact CA-SD 3.48Å; S80-T144 PolarHBondContact N-O 3.36Å; S80-T144 PolarHBondContact OG-O 3.47Å; S80-T144 VanDerWaalsContact OG-O 3.1Å; S80-F145 CarbonylContact O-C 3.27Å; S80-F145 WeakPolarHBondContact O-CA 3.4Å; S80-F145 WeakPolarHBondContact OG-CD1 3.47Å; S80-F145 WeakPolarHBondContact OG-CE1 3.26Å; S80-V146 WeakPolarHBondContact O-CG2 3.29Å; S80-V146 PolarHBondContact O-N 3.12Å
81H98.6Very high97.5Very high1 Ų142.9 Ų42.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-101.9157.6172.27494.2000112.2D83 D114 M115 V146 E149 E150 E188H81-D83 PolarHBondContact CE1-O 3.24Å; H81-D83 IonicContact CG-OD1 2.77Å; H81-D83 PolarHBondContact ND1-O 3Å; H81-D83 IonicContact ND1-OD1 3.81Å; H81-D83 PolarHBondContact ND1-OD1 3.3Å; H81-D114 IonicContact NE2-OD1 3.81Å; H81-M115 WeakPolarHBondContact CD2-CG 3.4Å; H81-M115 PolarHBondContact CD2-SD 2.95Å; H81-M115 PolarHBondContact N-SD 2.93Å; H81-M115 WeakPolarHBondContact NE2-CG 3.45Å; H81-V146 CarbonylContact C-O 3.57Å; H81-V146 VanDerWaalsContact CA-O 3.26Å; H81-V146 WeakPolarHBondContact CA-O 3.39Å; H81-V146 HydrophobicContact CB-CG2 3.78Å; H81-E149 HydrophobicContact CB-CB 3.31Å; H81-E149 HydrophobicContact CB-CG 3.83Å; H81-E149 VanDerWaalsContact CG-CB 3.42Å; H81-E150 IonicContact CE1-OE1 3.79Å; H81-E188 IonicContact CD2-OE2 3.45Å; H81-E188 PolarHBondContact CD2-OE2 3.11Å; H81-E188 IonicContact NE2-OE2 3.37Å; H81-E188 PolarHBondContact NE2-OE2 3.35Å
82M98.6Very high97.6Very high0 Ų040.1 Ų40.10%021%0.205CC..  trans-99.8-33.6-176.1-62.9-175.3-7700112.8Y20 T25 Y32 V36 L39 P60 V62 K116 F145 V146 P147Y20-M82 WeakPolarHBondContact OH-CG 3.42Å; T25-M82 VanDerWaalsContact CB-O 3.25Å; T25-M82 WeakPolarHBondContact CB-O 3.48Å; T25-M82 PolarHBondContact OG1-O 2.95Å; Y32-M82 HydrophobicContact CD1-CB 3.99Å; Y32-M82 HydrophobicContact CD1-CE 4.07Å; Y32-M82 HydrophobicContact CD1-SD 4.46Å; Y32-M82 HydrophobicContact CE1-CB 4.03Å; Y32-M82 HydrophobicContact CG-CE 4.5Å; V36-M82 HydrophobicContact CG2-CE 4.23Å; V36-M82 HydrophobicContact CG2-SD 3.92Å; L39-M82 HydrophobicContact CD1-CG 4.46Å; L39-M82 HydrophobicContact CD1-SD 4.04Å; P60-M82 WeakPolarHBondContact O-CE 3.12Å; V62-M82 HydrophobicContact CG2-SD 4.4Å; M82-K116 VanDerWaalsContact O-CE 3.3Å; M82-K116 WeakPolarHBondContact O-CE 3.4Å; M82-F145 WeakPolarHBondContact CE-O 3.27Å; M82-F145 HydrophobicContact CG-CB 3.69Å; M82-F145 HydrophobicContact SD-CB 3.94Å; M82-V146 PolarHBondContact N-O 3.5Å; M82-P147 HydrophobicContact CE-CB 4.42Å
83D98.5Very high97.7Very high0 Ų037.8 Ų37.80%020%0.203CC..  trans-71.7159.2-177.754.7-45.5000112.8T25 H27 Y32 H81 D148 E149 E150T25-D83 CarbonylContact O-C 3.57Å; T25-D83 VanDerWaalsContact O-CA 3.25Å; T25-D83 WeakPolarHBondContact O-CA 3.32Å; H27-D83 IonicContact CD2-OD2 3.56Å; H27-D83 IonicContact CE1-OD2 2.84Å; H27-D83 IonicContact NE2-OD2 3.7Å; H27-D83 PolarHBondContact NE2-OD2 2.89Å; Y32-D83 HydrophobicContact CE1-CB 3.92Å; Y32-D83 WeakPolarHBondContact OH-CB 3.38Å; H81-D83 PolarHBondContact CE1-O 3.24Å; H81-D83 IonicContact CG-OD1 2.77Å; H81-D83 PolarHBondContact ND1-O 3Å; H81-D83 IonicContact ND1-OD1 3.81Å; H81-D83 PolarHBondContact ND1-OD1 3.3Å; D83-D148 PolarHBondContact OD1-N 2.78Å; D83-D148 VanDerWaalsContact OD2-C 3.27Å; D83-D148 VanDerWaalsContact OD2-CA 3.28Å; D83-D148 WeakPolarHBondContact OD2-CA 3.38Å; D83-D148 PolarHBondContact OD2-N 3.21Å; D83-E149 PolarHBondContact OD1-N 2.85Å; D83-E149 PolarHBondContact OD2-N 2.78Å; D83-E149 VanDerWaalsContact OD2-N 3.12Å; D83-E150 WeakPolarHBondContact OD2-CB 3.34Å; D83-E150 PolarHBondContact OD2-N 3.36Å
84V98.3Very high97.7Very high0 Ų040.1 Ų40.10%021%0.21CC..BIsolated β-bridgetrans-139.3149.7176.2-63.90000110.2T25 V26 H27 F97 R110 E150T25-V84 PolarHBondContact O-N 3.06Å; V26-V84 WeakPolarHBondContact CA-O 3.44Å; V26-V84 HydrophobicContact CB-CG2 4.02Å; V26-V84 HydrophobicContact CG2-CG2 4.2Å; H27-V84 PolarHBondContact N-O 3.24Å; H27-V84 VanDerWaalsContact N-O 3.07Å; V84-F97 HydrophobicContact CG2-CE1 4.05Å; V84-R110 HydrophobicContact CB-CG 3.57Å; V84-R110 HydrophobicContact CG1-CG 4.05Å; V84-R110 HydrophobicContact CG2-CG 3.59Å; V84-E150 WeakPolarHBondContact CA-OE1 3.49Å
85V97.2Very high97.8Very high23 Ų2341.9 Ų41.914%0.13922%0.221CC..  trans-59.9157.6172.4-62.60000113.6V26 R110 E150 H400V26-V85 WeakPolarHBondContact CG2-O 3.33Å; V85-R110 PolarHBondContact O-NE 3.13Å; V85-E150 HydrophobicContact CG1-CB 4.29Å; V85-E150 HydrophobicContact CG1-CG 4.35Å; V85-E150 VanDerWaalsContact CG1-OE2 3.23Å; V85-E150 WeakPolarHBondContact CG1-OE2 3.39Å; V85-E150 PolarHBondContact N-OE1 3.31Å; V85-H400 HydrophobicContact CG2-CB 3.84Å
86P97.2Very high97.8Very high78 Ų7841.9 Ų41.951%0.50622%0.221SC..  trans-51.9157.2175.1-26.735.1000114.8H27 R110H27-P86 HydrophobicContact CB-CG 4.38Å; P86-R110 PolarHBondContact O-NH2 3.25Å
87V96.5Very high97.8Very high33 Ų3343.1 Ų43.120%0.223%0.227CC..  trans-123.9149.1175.7-62.10000110.2E89 W92 P96 F97 R110V87-E89 HydrophobicContact CG2-CG 4.26Å; V87-W92 HydrophobicContact CG1-CZ2 3.99Å; V87-P96 HydrophobicContact CB-CB 4.24Å; V87-P96 HydrophobicContact CB-CG 4.15Å; V87-P96 HydrophobicContact CG1-CB 3.98Å; V87-P96 HydrophobicContact CG1-CG 4.38Å; V87-P96 HydrophobicContact CG2-CB 4.28Å; V87-P96 HydrophobicContact CG2-CG 3.77Å; V87-F97 HydrophobicContact CG1-CZ 4.22Å; V87-F97 HydrophobicContact CG2-CE2 3.8Å; V87-F97 HydrophobicContact CG2-CZ 4.12Å; V87-R110 HydrophobicContact CG1-CB 3.87Å; V87-R110 HydrophobicContact CG1-CG 3.91Å
88V96.4Very high97.7Very high64 Ų6445 Ų4539%0.38824%0.239SC..  trans-110.892.7169.1-179.80000106.1E90 K91 W92V88-E90 VanDerWaalsContact CG1-OE2 3.26Å; V88-E90 WeakPolarHBondContact CG1-OE2 3.47Å; V88-E90 PolarHBondContact O-N 3.22Å; V88-E90 VanDerWaalsContact O-N 3.09Å; V88-K91 HydrophobicContact CB-CD 4.25Å; V88-K91 HydrophobicContact CB-CG 4.44Å; V88-K91 HydrophobicContact CG1-CD 4.08Å; V88-K91 HydrophobicContact CG1-CG 4Å; V88-K91 PolarHBondContact O-N 3.49Å; V88-W92 VanDerWaalsContact O-CD1 3.25Å
89E95.8Very high97.7Very high123 Ų12345.1 Ų45.158%0.57524%0.241SC*.G310 helixtrans-53.9-34.3-166.5-64.9-168177.600113.1V87 K91 W92 P96V87-E89 HydrophobicContact CG2-CG 4.26Å; E89-K91 PolarHBondContact O-N 3.4Å; E89-K91 VanDerWaalsContact O-N 3.16Å; E89-W92 PolarHBondContact O-N 2.87Å; E89-W92 VanDerWaalsContact O-N 3.09Å; E89-P96 HydrophobicContact CG-CG 4.04Å
90E97.4Very high97.6Very high165 Ų16548.9 Ų48.977%0.77126%0.26SS*.G310 helixtrans-66-18.9-177.9-55.178.3-170.800113.6V88V88-E90 VanDerWaalsContact CG1-OE2 3.26Å; V88-E90 WeakPolarHBondContact CG1-OE2 3.47Å; V88-E90 PolarHBondContact O-N 3.22Å; V88-E90 VanDerWaalsContact O-N 3.09Å
91K97.1Very high97.6Very high124 Ų12451.7 Ų51.754%0.53927%0.274SS..G310 helixtrans-92.3-3.1178.4-66.5-176.4177.7-176.20113.4V88 E89 H402V88-K91 HydrophobicContact CB-CD 4.25Å; V88-K91 HydrophobicContact CB-CG 4.44Å; V88-K91 HydrophobicContact CG1-CD 4.08Å; V88-K91 HydrophobicContact CG1-CG 4Å; V88-K91 PolarHBondContact O-N 3.49Å; E89-K91 PolarHBondContact O-N 3.4Å; E89-K91 VanDerWaalsContact O-N 3.16Å; K91-H402 HydrophobicContact CB-CB 4.16Å; K91-H402 VanDerWaalsContact CD-CD2 3.41Å; K91-H402 WeakPolarHBondContact CD-CD2 3.45Å; K91-H402 WeakPolarHBondContact CD-NE2 3.42Å; K91-H402 PolarHBondContact NZ-NE2 3.4Å
92W98Very high97.6Very high21 Ų2152.1 Ų52.18%0.0828%0.277CS..  trans-94.5138.1178.1-69.671.1000111.3V87 V88 E89 Y94 P96 R110 H402 D403 E404V87-W92 HydrophobicContact CG1-CZ2 3.99Å; V88-W92 VanDerWaalsContact O-CD1 3.25Å; E89-W92 PolarHBondContact O-N 2.87Å; E89-W92 VanDerWaalsContact O-N 3.09Å; W92-Y94 WeakPolarHBondContact CB-O 3.34Å; W92-Y94 PolarHBondContact O-N 3.09Å; W92-P96 HydrophobicContact CD2-CB 3.75Å; W92-P96 HydrophobicContact CE3-CB 4.03Å; W92-P96 HydrophobicContact CG-CB 4.22Å; W92-P96 HydrophobicContact CH2-CB 4.26Å; W92-P96 HydrophobicContact CZ2-CB 4.01Å; W92-P96 HydrophobicContact CZ3-CB 4.27Å; W92-R110 HydrophobicContact CH2-CB 3.95Å; W92-R110 HydrophobicContact CZ2-CB 4.14Å; W92-H402 AromaticContact NE1-ND1 3.86Å; W92-D403 WeakPolarHBondContact CA-OD1 3.32Å; W92-E404 HydrophobicContact CH2-CB 3.7Å; W92-E404 HydrophobicContact CZ3-CB 4.21Å
93S97.6Very high97.5Very high78 Ų7858.8 Ų58.855%0.54532%0.32SS..SBendtrans-66.4-26.6171.6-65.20000112.5D403S93-D403 WeakPolarHBondContact CB-OD1 3.1Å; S93-D403 WeakPolarHBondContact CB-OD2 3.48Å; S93-D403 PolarHBondContact N-OD1 2.94Å; S93-D403 PolarHBondContact N-OD2 3.47Å; S93-D403 PolarHBondContact OG-OD2 3.09Å
94Y97.8Very high97.4Very high79 Ų7963.2 Ų63.231%0.3134%0.344SS..SBendtrans-138.5154.1177.1-56-76.1000110.3W92 M100 T102 Y108W92-Y94 WeakPolarHBondContact CB-O 3.34Å; W92-Y94 PolarHBondContact O-N 3.09Å; Y94-M100 HydrophobicContact CD1-CB 4.26Å; Y94-M100 HydrophobicContact CD1-CG 3.63Å; Y94-M100 HydrophobicContact CD2-CG 4.42Å; Y94-M100 HydrophobicContact CE1-CE 4.42Å; Y94-M100 HydrophobicContact CE1-CG 3.99Å; Y94-M100 HydrophobicContact CG-CB 4.05Å; Y94-M100 HydrophobicContact CG-CG 3.86Å; Y94-T102 HydrophobicContact CE2-CG2 3.67Å; Y94-Y108 AromaticContact CD2-CD1 3.92Å; Y94-Y108 HydrophobicContact CD2-CD1 3.92Å; Y94-Y108 AromaticContact CD2-CD2 3.99Å; Y94-Y108 HydrophobicContact CD2-CD2 3.99Å; Y94-Y108 HydrophobicContact CD2-CE1 4.38Å; Y94-Y108 HydrophobicContact CD2-CE2 4.45Å; Y94-Y108 AromaticContact CD2-CG 3.7Å; Y94-Y108 HydrophobicContact CD2-CG 3.7Å; Y94-Y108 HydrophobicContact CE2-CD1 4.42Å; Y94-Y108 HydrophobicContact CE2-CD2 4.03Å; Y94-Y108 HydrophobicContact CE2-CE1 4.48Å; Y94-Y108 HydrophobicContact CE2-CE2 4.12Å; Y94-Y108 HydrophobicContact CE2-CG 4.19Å
95P98.1Very high97.4Very high87 Ų8764 Ų6457%0.56535%0.352SS*.  trans-54.6127.5179.6-24.132.7000111.2F97 S98P95-F97 PolarHBondContact O-N 3.34Å; P95-S98 VanDerWaalsContact O-CB 3.32Å; P95-S98 WeakPolarHBondContact O-CB 3.26Å; P95-S98 PolarHBondContact O-N 3.32Å; P95-S98 PolarHBondContact O-OG 3.26Å
96P97.9Very high97.4Very high3 Ų365.3 Ų65.32%0.01936%0.356CS..THydrogen-bonded Turntrans-62.9-20.2-165.718.2-30.7000114.7V87 E89 W92 G109 R110V87-P96 HydrophobicContact CB-CB 4.24Å; V87-P96 HydrophobicContact CB-CG 4.15Å; V87-P96 HydrophobicContact CG1-CB 3.98Å; V87-P96 HydrophobicContact CG1-CG 4.38Å; V87-P96 HydrophobicContact CG2-CB 4.28Å; V87-P96 HydrophobicContact CG2-CG 3.77Å; E89-P96 HydrophobicContact CG-CG 4.04Å; W92-P96 HydrophobicContact CD2-CB 3.75Å; W92-P96 HydrophobicContact CE3-CB 4.03Å; W92-P96 HydrophobicContact CG-CB 4.22Å; W92-P96 HydrophobicContact CH2-CB 4.26Å; W92-P96 HydrophobicContact CZ2-CB 4.01Å; W92-P96 HydrophobicContact CZ3-CB 4.27Å; P96-G109 CarbonylContact O-C 3.58Å; P96-G109 WeakPolarHBondContact O-CA 3.33Å; P96-R110 HydrophobicContact CB-CB 4.46Å; P96-R110 PolarHBondContact O-N 3.01Å
97F98.2Very high97.5Very high26 Ų2661.6 Ų61.611%0.11433%0.332CS..THydrogen-bonded Turntrans-111.115.1178.9-55.5-73.3000112.7Q22 V24 V26 V84 V87 P95 R110Q22-F97 VanDerWaalsContact CA-O 3.28Å; Q22-F97 WeakPolarHBondContact CA-O 3.21Å; Q22-F97 VanDerWaalsContact CG-O 3.29Å; Q22-F97 WeakPolarHBondContact CG-O 3.31Å; V24-F97 HydrophobicContact CG1-CD2 4.27Å; V24-F97 HydrophobicContact CG1-CE1 4.47Å; V24-F97 HydrophobicContact CG1-CE2 3.98Å; V24-F97 HydrophobicContact CG1-CZ 4.1Å; V24-F97 HydrophobicContact CG2-CB 4.08Å; V24-F97 HydrophobicContact CG2-CD1 4.27Å; V24-F97 HydrophobicContact CG2-CD2 3.94Å; V24-F97 HydrophobicContact CG2-CE2 4.48Å; V24-F97 HydrophobicContact CG2-CG 3.83Å; V26-F97 HydrophobicContact CB-CE1 4.5Å; V26-F97 HydrophobicContact CB-CZ 3.87Å; V26-F97 HydrophobicContact CG1-CZ 4.32Å; V26-F97 HydrophobicContact CG2-CZ 4.09Å; V84-F97 HydrophobicContact CG2-CE1 4.05Å; V87-F97 HydrophobicContact CG1-CZ 4.22Å; V87-F97 HydrophobicContact CG2-CE2 3.8Å; V87-F97 HydrophobicContact CG2-CZ 4.12Å; P95-F97 PolarHBondContact O-N 3.34Å; F97-R110 HydrophobicContact CE1-CB 4.07Å; F97-R110 HydrophobicContact CE1-CG 4.28Å
98S97.7Very high97.6Very high38 Ų3861.7 Ų61.727%0.26633%0.328SS..SBendtrans-76.1-33.5179.659.30000113.2Q22 P95 M100Q22-S98 PolarHBondContact NE2-O 2.98Å; P95-S98 VanDerWaalsContact O-CB 3.32Å; P95-S98 WeakPolarHBondContact O-CB 3.26Å; P95-S98 PolarHBondContact O-N 3.32Å; P95-S98 PolarHBondContact O-OG 3.26Å; S98-M100 VanDerWaalsContact C-N 3.32Å; S98-M100 WeakPolarHBondContact OG-CB 3.34Å; S98-M100 PolarHBondContact OG-N 2.89Å
99G97.1Very high97.7Very high3 Ų358.6 Ų58.63%0.03131%0.31CS..  trans65.635.3-165.700000112.2I101 Y108G99-I101 PolarHBondContact O-N 2.97Å; G99-Y108 CarbonylContact C-O 3.58Å; G99-Y108 VanDerWaalsContact CA-O 3.28Å; G99-Y108 WeakPolarHBondContact CA-O 3.33Å
100M98.1Very high97.8Very high81 Ų8152.9 Ų52.940%0.39928%0.283SS..EExtended strand (participates in β ladder)trans-60.1130.5-177.5-179.461.1-176.400110.9Y94 S98 I107 Y108Y94-M100 HydrophobicContact CD1-CB 4.26Å; Y94-M100 HydrophobicContact CD1-CG 3.63Å; Y94-M100 HydrophobicContact CD2-CG 4.42Å; Y94-M100 HydrophobicContact CE1-CE 4.42Å; Y94-M100 HydrophobicContact CE1-CG 3.99Å; Y94-M100 HydrophobicContact CG-CB 4.05Å; Y94-M100 HydrophobicContact CG-CG 3.86Å; S98-M100 VanDerWaalsContact C-N 3.32Å; S98-M100 WeakPolarHBondContact OG-CB 3.34Å; S98-M100 PolarHBondContact OG-N 2.89Å; M100-I107 WeakPolarHBondContact O-CA 3.19Å; M100-Y108 PolarHBondContact N-O 3.36Å; M100-Y108 PolarHBondContact O-N 3.44Å
101I98.2Very high97.9Very high59 Ų5945 Ų4530%0.30325%0.246SC..EExtended strand (participates in β ladder)trans-101.5123.4173.5-41-179.8000108.8V14 I18 G99 K106 I107V14-I101 HydrophobicContact CG1-CD1 4.08Å; I18-I101 HydrophobicContact CD1-CD1 3.49Å; I18-I101 VanDerWaalsContact CD1-CD1 3.49Å; I18-I101 HydrophobicContact CD1-CG1 3.77Å; G99-I101 PolarHBondContact O-N 2.97Å; I101-K106 WeakPolarHBondContact CA-O 3.47Å; I101-I107 HydrophobicContact CG1-CG1 4.25Å; I101-I107 HydrophobicContact CG2-CG1 4.31Å
102T97.9Very high97.9Very high10 Ų1039.1 Ų39.16%0.06122%0.221CC..PPolyproline II helixtrans-79.1161.4174.556.30000111.7Y94 D104 G105 K106 Y108Y94-T102 HydrophobicContact CE2-CG2 3.67Å; T102-D104 WeakPolarHBondContact CB-OD1 3.2Å; T102-D104 PolarHBondContact O-N 3.36Å; T102-D104 PolarHBondContact OG1-OD1 3.45Å; T102-G105 PolarHBondContact O-N 2.95Å; T102-K106 PolarHBondContact N-O 2.77Å; T102-K106 WeakPolarHBondContact OG1-CB 3.44Å; T102-K106 PolarHBondContact OG1-N 2.63Å; T102-K106 VanDerWaalsContact OG1-N 3.17Å; T102-K106 PolarHBondContact OG1-O 3.01Å; T102-Y108 HydrophobicContact CG2-CD2 3.71Å; T102-Y108 HydrophobicContact CG2-CE2 3.47Å; T102-Y108 VanDerWaalsContact CG2-CE2 3.47Å
103P96.9Very high97.9Very high140 Ų14038.1 Ų38.191%0.90922%0.217SC*.THydrogen-bonded Turntrans-57.7-27.9177.4-27.136.2000114.8G105P103-G105 VanDerWaalsContact C-N 3.27Å
104D96.4Very high97.9Very high93 Ų9334.7 Ų34.750%0.49719%0.193SC..THydrogen-bonded Turntrans-82.51.7174.766.2-37.2000113.6T102 K106T102-D104 WeakPolarHBondContact CB-OD1 3.2Å; T102-D104 PolarHBondContact O-N 3.36Å; T102-D104 PolarHBondContact OG1-OD1 3.45Å; D104-K106 WeakPolarHBondContact OD2-CE 3.32Å; D104-K106 IonicContact OD2-NZ 2.78Å; D104-K106 PolarHBondContact OD2-NZ 2.88Å
105G97.5Very high97.9Very high17 Ų1731 Ų3118%0.17518%0.178CC..SBendtrans91.18.1170.900000115.7T102 P103 K408T102-G105 PolarHBondContact O-N 2.95Å; P103-G105 VanDerWaalsContact C-N 3.27Å; G105-K408 WeakPolarHBondContact O-CB 3.32Å; G105-K408 PolarHBondContact O-N 3.25Å
106K98.5Very high98Very high50 Ų5026.9 Ų26.922%0.21715%0.151CC..EExtended strand (participates in β ladder)trans-78.7132.6173.3-63.7176.1179.1124.50110.4I101 T102 D104 Y108 W405I101-K106 WeakPolarHBondContact CA-O 3.47Å; T102-K106 PolarHBondContact N-O 2.77Å; T102-K106 WeakPolarHBondContact OG1-CB 3.44Å; T102-K106 PolarHBondContact OG1-N 2.63Å; T102-K106 VanDerWaalsContact OG1-N 3.17Å; T102-K106 PolarHBondContact OG1-O 3.01Å; D104-K106 WeakPolarHBondContact OD2-CE 3.32Å; D104-K106 IonicContact OD2-NZ 2.78Å; D104-K106 PolarHBondContact OD2-NZ 2.88Å; K106-Y108 HydrophobicContact CB-CD2 4.14Å; K106-Y108 HydrophobicContact CB-CE2 3.69Å; K106-Y108 HydrophobicContact CD-CE2 4.24Å; K106-W405 HydrophobicContact CB-CB 4.36Å; K106-W405 HydrophobicContact CB-CD2 4.36Å; K106-W405 HydrophobicContact CB-CE3 4.2Å; K106-W405 HydrophobicContact CB-CG 4.42Å; K106-W405 HydrophobicContact CD-CD2 3.74Å; K106-W405 HydrophobicContact CD-CE3 3.86Å; K106-W405 HydrophobicContact CD-CG 4.2Å; K106-W405 HydrophobicContact CD-CH2 4.38Å; K106-W405 HydrophobicContact CD-CZ2 4.25Å; K106-W405 HydrophobicContact CD-CZ3 4.19Å; K106-W405 HydrophobicContact CG-CD2 4.09Å; K106-W405 HydrophobicContact CG-CE3 3.76Å; K106-W405 HydrophobicContact CG-CZ3 4.13Å
107I98.6Very high98Very high0 Ų026.8 Ų26.80%015%0.15CC..EExtended strand (participates in β ladder)trans-99.4110.8175.2-52.7177.9000107V14 F17 I18 L21 M100 I101 T112 W405 L406 K408V14-I107 HydrophobicContact CG1-CD1 4.29Å; F17-I107 HydrophobicContact CD1-CD1 3.73Å; F17-I107 HydrophobicContact CD1-CG2 4.39Å; F17-I107 HydrophobicContact CE1-CB 4.21Å; F17-I107 HydrophobicContact CE1-CD1 3.81Å; F17-I107 HydrophobicContact CE1-CG2 4.03Å; I18-I107 HydrophobicContact CG1-CG2 4.3Å; L21-I107 HydrophobicContact CD1-CG2 3.98Å; M100-I107 WeakPolarHBondContact O-CA 3.19Å; I101-I107 HydrophobicContact CG1-CG1 4.25Å; I101-I107 HydrophobicContact CG2-CG1 4.31Å; I107-T112 HydrophobicContact CG2-CG2 4.41Å; I107-T112 WeakPolarHBondContact O-CG2 3.27Å; I107-W405 CarbonylContact O-C 3.54Å; I107-W405 WeakPolarHBondContact O-CA 3.38Å; I107-W405 WeakPolarHBondContact O-CB 3.34Å; I107-L406 PolarHBondContact N-O 3.28Å; I107-L406 PolarHBondContact O-N 3.42Å; I107-K408 HydrophobicContact CD1-CB 4.05Å; I107-K408 HydrophobicContact CD1-CG 4.39Å; I107-K408 HydrophobicContact CG1-CB 4.24Å
108Y98.5Very high98Very high34 Ų3425.5 Ų25.513%0.13315%0.145CC..EExtended strand (participates in β ladder)trans-89.1136.4178.9-78.3-105.1000110.9Y94 G99 M100 T102 K106 D403 W405Y94-Y108 AromaticContact CD2-CD1 3.92Å; Y94-Y108 HydrophobicContact CD2-CD1 3.92Å; Y94-Y108 AromaticContact CD2-CD2 3.99Å; Y94-Y108 HydrophobicContact CD2-CD2 3.99Å; Y94-Y108 HydrophobicContact CD2-CE1 4.38Å; Y94-Y108 HydrophobicContact CD2-CE2 4.45Å; Y94-Y108 AromaticContact CD2-CG 3.7Å; Y94-Y108 HydrophobicContact CD2-CG 3.7Å; Y94-Y108 HydrophobicContact CE2-CD1 4.42Å; Y94-Y108 HydrophobicContact CE2-CD2 4.03Å; Y94-Y108 HydrophobicContact CE2-CE1 4.48Å; Y94-Y108 HydrophobicContact CE2-CE2 4.12Å; Y94-Y108 HydrophobicContact CE2-CG 4.19Å; G99-Y108 CarbonylContact C-O 3.58Å; G99-Y108 VanDerWaalsContact CA-O 3.28Å; G99-Y108 WeakPolarHBondContact CA-O 3.33Å; M100-Y108 PolarHBondContact N-O 3.36Å; M100-Y108 PolarHBondContact O-N 3.44Å; T102-Y108 HydrophobicContact CG2-CD2 3.71Å; T102-Y108 HydrophobicContact CG2-CE2 3.47Å; T102-Y108 VanDerWaalsContact CG2-CE2 3.47Å; K106-Y108 HydrophobicContact CB-CD2 4.14Å; K106-Y108 HydrophobicContact CB-CE2 3.69Å; K106-Y108 HydrophobicContact CD-CE2 4.24Å; Y108-D403 HydrophobicContact CD1-CB 4.27Å; Y108-D403 HydrophobicContact CE1-CB 3.93Å; Y108-W405 HydrophobicContact CD1-CB 4.09Å; Y108-W405 HydrophobicContact CD2-CB 4.05Å; Y108-W405 HydrophobicContact CE1-CB 4.2Å; Y108-W405 AromaticContact CE1-CD1 3.77Å; Y108-W405 HydrophobicContact CE1-CG 4.3Å; Y108-W405 HydrophobicContact CE2-CB 4.15Å; Y108-W405 HydrophobicContact CE2-CG 4.4Å; Y108-W405 HydrophobicContact CG-CB 4.01Å; Y108-W405 AromaticContact CZ-CD1 3.77Å
109G98.3Very high98Very high0 Ų023.7 Ų23.70%013%0.132CC..SBendtrans162.1152.6171.200000113P96 G111 T112 E404P96-G109 CarbonylContact O-C 3.58Å; P96-G109 WeakPolarHBondContact O-CA 3.33Å; G109-G111 PolarHBondContact O-N 3.13Å; G109-T112 WeakPolarHBondContact O-CB 3.2Å; G109-T112 WeakPolarHBondContact O-CG2 3.19Å; G109-T112 PolarHBondContact O-N 2.84Å; G109-T112 PolarHBondContact O-OG1 3.23Å; G109-E404 PolarHBondContact N-O 3.15Å
110R98.4Very high98.1Very high2 Ų223.6 Ų23.61%0.00813%0.131CC..THydrogen-bonded Turntrans-64.8126.1173.4174.16276.8-138.96.6109.6L21 V84 V85 P86 V87 W92 P96 F97 H400 D401 E404L21-R110 WeakPolarHBondContact CD2-O 3.45Å; V84-R110 HydrophobicContact CB-CG 3.57Å; V84-R110 HydrophobicContact CG1-CG 4.05Å; V84-R110 HydrophobicContact CG2-CG 3.59Å; V85-R110 PolarHBondContact O-NE 3.13Å; P86-R110 PolarHBondContact O-NH2 3.25Å; V87-R110 HydrophobicContact CG1-CB 3.87Å; V87-R110 HydrophobicContact CG1-CG 3.91Å; W92-R110 HydrophobicContact CH2-CB 3.95Å; W92-R110 HydrophobicContact CZ2-CB 4.14Å; P96-R110 HydrophobicContact CB-CB 4.46Å; P96-R110 PolarHBondContact O-N 3.01Å; F97-R110 HydrophobicContact CE1-CB 4.07Å; F97-R110 HydrophobicContact CE1-CG 4.28Å; R110-H400 VanDerWaalsContact NH1-C 3.33Å; R110-H400 PolarHBondContact NH2-O 3.47Å; R110-D401 PolarHBondContact NH1-O 3.03Å; R110-D401 PolarHBondContact NH2-O 2.86Å; R110-E404 WeakPolarHBondContact CD-OE2 3.45Å; R110-E404 IonicContact CZ-OE2 3.7Å; R110-E404 IonicContact NE-OE2 3.63Å; R110-E404 IonicContact NH1-OE2 3.8Å; R110-E404 PolarHBondContact NH1-OE2 3Å
111G98.1Very high98.1Very high0 Ų019.7 Ų19.70%011%0.112CC..THydrogen-bonded Turntrans88.812.7-175.800000114.8G109 Q113 D114 K116 S117 E404G109-G111 PolarHBondContact O-N 3.13Å; G111-Q113 VanDerWaalsContact C-N 3.27Å; G111-D114 WeakPolarHBondContact CA-O 3.13Å; G111-K116 WeakPolarHBondContact O-CA 3.27Å; G111-K116 VanDerWaalsContact O-CB 3.27Å; G111-K116 WeakPolarHBondContact O-CB 3.37Å; G111-K116 PolarHBondContact O-N 3.47Å; G111-S117 PolarHBondContact O-N 3.14Å; G111-E404 VanDerWaalsContact C-OE1 3.31Å; G111-E404 VanDerWaalsContact CA-OE1 3.32Å; G111-E404 WeakPolarHBondContact CA-OE1 3.4Å; G111-E404 PolarHBondContact N-OE1 3.05Å; G111-E404 PolarHBondContact N-OE2 2.77Å
112T98.5Very high98.2Very high0 Ų016.9 Ų16.90%010%0.098CC..SBendtrans-69.4-27.2171.148.90000112.6F17 L21 I107 G109 S117 E404 W405 L406F17-T112 HydrophobicContact CE1-CG2 4.43Å; F17-T112 HydrophobicContact CE2-CG2 4.39Å; F17-T112 HydrophobicContact CZ-CG2 3.71Å; L21-T112 HydrophobicContact CD1-CG2 3.52Å; L21-T112 HydrophobicContact CD2-CG2 3.83Å; L21-T112 HydrophobicContact CG-CG2 4.34Å; I107-T112 HydrophobicContact CG2-CG2 4.41Å; I107-T112 WeakPolarHBondContact O-CG2 3.27Å; G109-T112 WeakPolarHBondContact O-CB 3.2Å; G109-T112 WeakPolarHBondContact O-CG2 3.19Å; G109-T112 PolarHBondContact O-N 2.84Å; G109-T112 PolarHBondContact O-OG1 3.23Å; T112-S117 WeakPolarHBondContact O-CB 3.04Å; T112-S117 PolarHBondContact O-OG 2.88Å; T112-E404 PolarHBondContact N-OE1 3.16Å; T112-E404 WeakPolarHBondContact OG1-CG 3.45Å; T112-E404 PolarHBondContact OG1-O 3.24Å; T112-E404 PolarHBondContact OG1-OE1 3.47Å; T112-W405 WeakPolarHBondContact OG1-CA 3.49Å; T112-W405 PolarHBondContact OG1-N 3.34Å; T112-L406 WeakPolarHBondContact O-CD2 3.41Å
113Q98.4Very high98.2Very high0 Ų016.4 Ų16.40%010%0.095CC..SBendtrans-110.9-33.3172.2-58.7-171.75.500111.7G111 P191 T395 P396 L399 E404 W405G111-Q113 VanDerWaalsContact C-N 3.27Å; Q113-P191 HydrophobicContact CB-CG 4.09Å; Q113-P191 HydrophobicContact CG-CG 4.1Å; Q113-T395 VanDerWaalsContact NE2-CG2 3.31Å; Q113-P396 PolarHBondContact NE2-O 2.88Å; Q113-P396 PolarHBondContact OE1-O 3.49Å; Q113-L399 HydrophobicContact CB-CD1 4.01Å; Q113-L399 HydrophobicContact CB-CG 4.37Å; Q113-E404 WeakPolarHBondContact CA-OE1 3.44Å; Q113-E404 HydrophobicContact CB-CG 4.2Å; Q113-E404 HydrophobicContact CG-CG 4.08Å; Q113-E404 PolarHBondContact N-OE1 3.48Å; Q113-W405 PolarHBondContact NE2-O 2.95Å
114D97.7Very high98.3Very high7 Ų79.8 Ų9.84%0.0375%0.052CC..SBendtrans-126.392-174.8-150.325.1000115.8H81 G111 L399 H400 E404H81-D114 IonicContact NE2-OD1 3.81Å; G111-D114 WeakPolarHBondContact CA-O 3.13Å; D114-L399 HydrophobicContact CB-CB 4.47Å; D114-L399 HydrophobicContact CB-CD2 4.07Å; D114-L399 HydrophobicContact CB-CG 3.92Å; D114-H400 IonicContact OD2-CD2 3.66Å; D114-H400 PolarHBondContact OD2-CD2 2.89Å; D114-H400 IonicContact OD2-CE1 2.83Å; D114-H400 IonicContact OD2-NE2 3.85Å; D114-H400 PolarHBondContact OD2-NE2 3.16Å; D114-E404 PolarHBondContact N-OE1 2.85Å
115M97.7Very high98.4Very high1 Ų15.4 Ų5.41%0.0053%0.028CC..SBendcis-128.323.9-20.174.2176.6-65.200111.5S80 H81 S117 I118 G119 E188S80-M115 WeakPolarHBondContact CA-SD 3.48Å; H81-M115 WeakPolarHBondContact CD2-CG 3.4Å; H81-M115 PolarHBondContact CD2-SD 2.95Å; H81-M115 PolarHBondContact N-SD 2.93Å; H81-M115 WeakPolarHBondContact NE2-CG 3.45Å; M115-S117 PolarHBondContact O-N 3.1Å; M115-I118 HydrophobicContact CB-CB 4.37Å; M115-I118 HydrophobicContact CB-CG1 4.1Å; M115-I118 HydrophobicContact CE-CB 3.51Å; M115-I118 HydrophobicContact CE-CG1 3.99Å; M115-I118 HydrophobicContact CE-CG2 3.45Å; M115-I118 VanDerWaalsContact CE-CG2 3.45Å; M115-I118 WeakPolarHBondContact O-CA 3.4Å; M115-I118 VanDerWaalsContact O-CB 3.31Å; M115-I118 WeakPolarHBondContact O-CB 3.41Å; M115-I118 PolarHBondContact O-N 2.94Å; M115-G119 PolarHBondContact O-N 3.1Å; M115-E188 HydrophobicContact CB-CB 4.43Å; M115-E188 HydrophobicContact CE-CB 3.38Å; M115-E188 HydrophobicContact SD-CB 3.43Å; M115-E188 WeakPolarHBondContact SD-CB 3.18Å; M115-E188 HydrophobicContact SD-CG 4.46Å; M115-E188 VanDerWaalsContact SD-OE2 3.41Å
116K98.6Very high98.4Very high1 Ų14.6 Ų4.60%0.0042%0.02CC..Hα-helixtrans-54.4-30.5-173.1-68.4-171173.9-177.70113.5Y20 L21 F23 T25 M82 G111 I118 I120Y20-K116 HydrophobicContact CD1-CB 3.46Å; Y20-K116 VanDerWaalsContact CD1-CB 3.46Å; Y20-K116 HydrophobicContact CD1-CD 3.99Å; Y20-K116 HydrophobicContact CD1-CG 3.8Å; Y20-K116 WeakPolarHBondContact CD1-O 3.43Å; Y20-K116 HydrophobicContact CD2-CD 4.45Å; Y20-K116 HydrophobicContact CE1-CB 3.58Å; Y20-K116 HydrophobicContact CE1-CD 4.08Å; Y20-K116 HydrophobicContact CE1-CG 3.57Å; Y20-K116 HydrophobicContact CE2-CD 4.49Å; Y20-K116 HydrophobicContact CG-CB 4.33Å; Y20-K116 HydrophobicContact CG-CD 4.17Å; Y20-K116 HydrophobicContact CG-CG 4.46Å; Y20-K116 PolarHBondContact O-NZ 3.05Å; Y20-K116 VanDerWaalsContact O-NZ 3.07Å; L21-K116 HydrophobicContact CD2-CB 4.23Å; L21-K116 HydrophobicContact CD2-CD 4.3Å; F23-K116 PolarHBondContact O-NZ 2.69Å; T25-K116 VanDerWaalsContact OG1-CE 3.25Å; T25-K116 WeakPolarHBondContact OG1-CE 3.31Å; T25-K116 PolarHBondContact OG1-NZ 3.4Å; M82-K116 VanDerWaalsContact O-CE 3.3Å; M82-K116 WeakPolarHBondContact O-CE 3.4Å; G111-K116 WeakPolarHBondContact O-CA 3.27Å; G111-K116 VanDerWaalsContact O-CB 3.27Å; G111-K116 WeakPolarHBondContact O-CB 3.37Å; G111-K116 PolarHBondContact O-N 3.47Å; K116-I118 VanDerWaalsContact C-N 3.33Å; K116-I118 PolarHBondContact O-N 2.92Å; K116-I120 WeakPolarHBondContact O-CG1 3.25Å; K116-I120 PolarHBondContact O-N 3.26Å
117S98.5Very high98.4Very high0 Ų03.6 Ų3.60%02%0.015CC..Hα-helixtrans-57.8-44.6171.554.60000112.5F17 G111 T112 M115 I120 Q121F17-S117 VanDerWaalsContact CE2-CA 3.42Å; G111-S117 PolarHBondContact O-N 3.14Å; T112-S117 WeakPolarHBondContact O-CB 3.04Å; T112-S117 PolarHBondContact O-OG 2.88Å; M115-S117 PolarHBondContact O-N 3.1Å; S117-I120 PolarHBondContact O-N 2.85Å; S117-Q121 WeakPolarHBondContact O-CB 3.44Å; S117-Q121 VanDerWaalsContact O-CG 3.25Å; S117-Q121 WeakPolarHBondContact O-CG 3.42Å; S117-Q121 PolarHBondContact O-N 3.22Å
118I98.5Very high98.4Very high0 Ų03.8 Ų3.80%02%0.015CC..Hα-helixtrans-65.2-48.3-177.2-52.6-52.1000111M115 K116 I120 Q121 Q122 S390 I392 Y418M115-I118 HydrophobicContact CB-CB 4.37Å; M115-I118 HydrophobicContact CB-CG1 4.1Å; M115-I118 HydrophobicContact CE-CB 3.51Å; M115-I118 HydrophobicContact CE-CG1 3.99Å; M115-I118 HydrophobicContact CE-CG2 3.45Å; M115-I118 VanDerWaalsContact CE-CG2 3.45Å; M115-I118 WeakPolarHBondContact O-CA 3.4Å; M115-I118 VanDerWaalsContact O-CB 3.31Å; M115-I118 WeakPolarHBondContact O-CB 3.41Å; M115-I118 PolarHBondContact O-N 2.94Å; K116-I118 VanDerWaalsContact C-N 3.33Å; K116-I118 PolarHBondContact O-N 2.92Å; I118-I120 PolarHBondContact O-N 3.26Å; I118-Q121 PolarHBondContact O-N 3.38Å; I118-Q121 VanDerWaalsContact O-N 3.11Å; I118-Q122 HydrophobicContact CG2-CG 4.49Å; I118-Q122 VanDerWaalsContact O-CG 3.28Å; I118-Q122 WeakPolarHBondContact O-CG 3.19Å; I118-Q122 PolarHBondContact O-N 3.39Å; I118-S390 WeakPolarHBondContact CD1-OG 3.41Å; I118-I392 HydrophobicContact CD1-CD1 3.85Å; I118-I392 HydrophobicContact CD1-CG1 4.3Å; I118-Y418 HydrophobicContact CG2-CE2 4.14Å; I118-Y418 VanDerWaalsContact CG2-OH 3.29Å; I118-Y418 WeakPolarHBondContact CG2-OH 3.06Å
119G98.5Very high98.3Very high0 Ų02.3 Ų2.30%01%0.009CC..Hα-helixtrans-58-37.3176.800000112.6M115 L123M115-G119 PolarHBondContact O-N 3.1Å; G119-L123 PolarHBondContact O-N 3.38Å; G119-L123 VanDerWaalsContact O-N 3.14Å
120I98.7Very high98.3Very high0 Ų03.4 Ų3.40%01%0.014CC..Hα-helixtrans-74.8-39.5175.2-61.1-66.6000111.8N16 F17 Y20 W38 K116 S117 I118 Q122 L123 E124 F411N16-I120 HydrophobicContact CB-CG2 4.29Å; F17-I120 HydrophobicContact CB-CG2 4.09Å; Y20-I120 HydrophobicContact CD1-CD1 3.77Å; Y20-I120 HydrophobicContact CD1-CG1 3.52Å; Y20-I120 HydrophobicContact CE1-CG1 4.39Å; Y20-I120 HydrophobicContact CG-CD1 4.01Å; Y20-I120 HydrophobicContact CG-CG1 4.11Å; W38-I120 HydrophobicContact CH2-CD1 3.71Å; W38-I120 HydrophobicContact CZ3-CD1 3.98Å; K116-I120 WeakPolarHBondContact O-CG1 3.25Å; K116-I120 PolarHBondContact O-N 3.26Å; S117-I120 PolarHBondContact O-N 2.85Å; I118-I120 PolarHBondContact O-N 3.26Å; I120-Q122 PolarHBondContact O-N 3.12Å; I120-L123 HydrophobicContact CD1-CD1 4.26Å; I120-L123 PolarHBondContact O-N 2.77Å; I120-E124 HydrophobicContact CG2-CG 3.82Å; I120-E124 WeakPolarHBondContact O-CB 3.27Å; I120-E124 VanDerWaalsContact O-CG 3.26Å; I120-E124 WeakPolarHBondContact O-CG 3.45Å; I120-E124 PolarHBondContact O-N 3.46Å; I120-F411 HydrophobicContact CB-CE2 4.4Å; I120-F411 HydrophobicContact CB-CZ 4.48Å; I120-F411 HydrophobicContact CG2-CE2 4.24Å; I120-F411 HydrophobicContact CG2-CZ 3.83Å
121Q98.8Very high98.1Very high0 Ų06.1 Ų6.10%03%0.033CC..Hα-helixtrans-58.8-39.6174.7-73.7173.4-22.200111.6S117 I118 A125 F411 Y418S117-Q121 WeakPolarHBondContact O-CB 3.44Å; S117-Q121 VanDerWaalsContact O-CG 3.25Å; S117-Q121 WeakPolarHBondContact O-CG 3.42Å; S117-Q121 PolarHBondContact O-N 3.22Å; I118-Q121 PolarHBondContact O-N 3.38Å; I118-Q121 VanDerWaalsContact O-N 3.11Å; Q121-A125 WeakPolarHBondContact O-CB 3.42Å; Q121-A125 PolarHBondContact O-N 3.31Å; Q121-F411 HydrophobicContact CG-CD2 3.81Å; Q121-F411 HydrophobicContact CG-CE2 3.65Å; Q121-F411 HydrophobicContact CG-CZ 4.49Å; Q121-F411 PolarHBondContact NE2-O 2.93Å; Q121-Y418 HydrophobicContact CB-CD2 3.69Å; Q121-Y418 HydrophobicContact CB-CE2 4.04Å
122Q98.6Very high97.9Very high0 Ų09.4 Ų9.40%06%0.056CC..Hα-helixtrans-65.1-45175.3-67.1168.4100112L78 N79 I118 I120 A125 I126 L143 Y418L78-Q122 HydrophobicContact CB-CG 4.21Å; L78-Q122 HydrophobicContact CD1-CB 4.26Å; L78-Q122 HydrophobicContact CD1-CG 4.37Å; N79-Q122 PolarHBondContact O-NE2 2.68Å; N79-Q122 VanDerWaalsContact O-NE2 3.13Å; I118-Q122 HydrophobicContact CG2-CG 4.49Å; I118-Q122 VanDerWaalsContact O-CG 3.28Å; I118-Q122 WeakPolarHBondContact O-CG 3.19Å; I118-Q122 PolarHBondContact O-N 3.39Å; I120-Q122 PolarHBondContact O-N 3.12Å; Q122-A125 WeakPolarHBondContact O-CB 3.42Å; Q122-A125 PolarHBondContact O-N 2.84Å; Q122-I126 PolarHBondContact O-N 2.92Å; Q122-L143 HydrophobicContact CB-CD2 3.98Å; Q122-Y418 HydrophobicContact CG-CD1 4.35Å; Q122-Y418 HydrophobicContact CG-CE1 4.18Å; Q122-Y418 HydrophobicContact CG-CE2 4.3Å
123L98.4Very high97.7Very high0 Ų011.7 Ų11.70%08%0.079CC..Hα-helixtrans-64.1-43.9176.2-80.3167.6000112.8L39 L42 L46 M64 G119 I120 A125 I126 R127 L143 F145L39-L123 HydrophobicContact CD2-CD1 4Å; L42-L123 HydrophobicContact CD2-CD1 3.94Å; L46-L123 HydrophobicContact CD1-CD2 4.22Å; M64-L123 HydrophobicContact CE-CD2 4.23Å; M64-L123 HydrophobicContact SD-CD2 3.61Å; G119-L123 PolarHBondContact O-N 3.38Å; G119-L123 VanDerWaalsContact O-N 3.14Å; I120-L123 HydrophobicContact CD1-CD1 4.26Å; I120-L123 PolarHBondContact O-N 2.77Å; L123-A125 VanDerWaalsContact C-N 3.33Å; L123-I126 WeakPolarHBondContact O-CB 3.25Å; L123-I126 PolarHBondContact O-N 2.83Å; L123-R127 PolarHBondContact O-N 3.23Å; L123-L143 HydrophobicContact CD2-CD2 3.96Å; L123-L143 HydrophobicContact CG-CD2 4.08Å; L123-F145 HydrophobicContact CD1-CE1 4.24Å; L123-F145 HydrophobicContact CD1-CE2 4.09Å; L123-F145 HydrophobicContact CD1-CZ 3.42Å; L123-F145 VanDerWaalsContact CD1-CZ 3.42Å; L123-F145 HydrophobicContact CG-CE2 4.37Å; L123-F145 HydrophobicContact CG-CZ 3.86Å
124E98.6Very high97.7Very high1 Ų112.7 Ų12.71%0.0059%0.086CC..Hα-helixtrans-75.6-24.5-177.9-63.9-59.8142.400112.1A13 N16 I120 R127 R128A13-E124 HydrophobicContact CB-CB 4.01Å; A13-E124 HydrophobicContact CB-CG 3.73Å; N16-E124 PolarHBondContact ND2-OE1 2.8Å; I120-E124 HydrophobicContact CG2-CG 3.82Å; I120-E124 WeakPolarHBondContact O-CB 3.27Å; I120-E124 VanDerWaalsContact O-CG 3.26Å; I120-E124 WeakPolarHBondContact O-CG 3.45Å; I120-E124 PolarHBondContact O-N 3.46Å; E124-R127 WeakPolarHBondContact O-CB 3.46Å; E124-R127 PolarHBondContact O-N 3.47Å; E124-R127 IonicContact OE1-CZ 3.1Å; E124-R127 IonicContact OE1-NE 3.19Å; E124-R127 PolarHBondContact OE1-NE 2.87Å; E124-R127 IonicContact OE1-NH2 2.7Å; E124-R127 PolarHBondContact OE1-NH2 3.37Å; E124-R127 VanDerWaalsContact OE1-NH2 3.08Å; E124-R127 VanDerWaalsContact OE2-CD 3.23Å; E124-R127 WeakPolarHBondContact OE2-CD 3.36Å; E124-R127 IonicContact OE2-CZ 3.86Å; E124-R127 IonicContact OE2-NE 2.86Å; E124-R127 PolarHBondContact OE2-NE 3.34Å; E124-R128 WeakPolarHBondContact O-CG 3.29Å; E124-R128 PolarHBondContact O-N 3.08Å
125A98.3Very high97.5Very high0 Ų017.8 Ų17.80%011%0.109CC..Hα-helixtrans-59.5-45.916500000111.5Q121 Q122 L123 R127 R128 L129 S419Q121-A125 WeakPolarHBondContact O-CB 3.42Å; Q121-A125 PolarHBondContact O-N 3.31Å; Q122-A125 WeakPolarHBondContact O-CB 3.42Å; Q122-A125 PolarHBondContact O-N 2.84Å; L123-A125 VanDerWaalsContact C-N 3.33Å; A125-R127 VanDerWaalsContact C-N 3.34Å; A125-R127 PolarHBondContact O-N 2.74Å; A125-R128 PolarHBondContact O-N 2.97Å; A125-L129 WeakPolarHBondContact O-CG 3.44Å; A125-L129 PolarHBondContact O-N 2.85Å; A125-S419 VanDerWaalsContact CB-N 3.27Å
126I98.4Very high97.5Very high0 Ų022.7 Ų22.70%013%0.132CC..Hα-helixtrans-63.2-41.9175.2-65.1175.4000111L48 W66 Q122 L123 R128 L129 K130 L143L48-I126 HydrophobicContact CD1-CD1 4.31Å; L48-I126 HydrophobicContact CD2-CG2 4.37Å; W66-I126 HydrophobicContact CD2-CG2 4.38Å; W66-I126 HydrophobicContact CE3-CB 4.36Å; W66-I126 HydrophobicContact CE3-CD1 4.07Å; W66-I126 HydrophobicContact CE3-CG1 3.88Å; W66-I126 HydrophobicContact CE3-CG2 3.74Å; W66-I126 HydrophobicContact CH2-CG2 4.36Å; W66-I126 HydrophobicContact CZ3-CB 4.16Å; W66-I126 HydrophobicContact CZ3-CG1 3.87Å; W66-I126 HydrophobicContact CZ3-CG2 3.73Å; Q122-I126 PolarHBondContact O-N 2.92Å; L123-I126 WeakPolarHBondContact O-CB 3.25Å; L123-I126 PolarHBondContact O-N 2.83Å; I126-R128 VanDerWaalsContact C-N 3.3Å; I126-R128 PolarHBondContact O-N 3.49Å; I126-L129 PolarHBondContact O-N 2.88Å; I126-K130 HydrophobicContact CG2-CD 4.22Å; I126-K130 HydrophobicContact CG2-CG 4.37Å; I126-K130 WeakPolarHBondContact O-CG 3.3Å; I126-K130 PolarHBondContact O-N 3.46Å; I126-L143 HydrophobicContact CD1-CD1 3.22Å; I126-L143 HydrophobicContact CD1-CD2 3.67Å; I126-L143 HydrophobicContact CD1-CG 3.94Å
127R98.2Very high97.5Very high30 Ų3022.7 Ų22.711%0.11313%0.132CC..Hα-helixtrans-56.3-44.9174.9-168.1-178.7-54-75.1-7111.7L9 L46 L123 E124 A125 K130 S131L9-R127 HydrophobicContact CD2-CG 3.96Å; L46-R127 HydrophobicContact CD2-CB 3.68Å; L46-R127 HydrophobicContact CD2-CG 3.75Å; L123-R127 PolarHBondContact O-N 3.23Å; E124-R127 WeakPolarHBondContact O-CB 3.46Å; E124-R127 PolarHBondContact O-N 3.47Å; E124-R127 IonicContact OE1-CZ 3.1Å; E124-R127 IonicContact OE1-NE 3.19Å; E124-R127 PolarHBondContact OE1-NE 2.87Å; E124-R127 IonicContact OE1-NH2 2.7Å; E124-R127 PolarHBondContact OE1-NH2 3.37Å; E124-R127 VanDerWaalsContact OE1-NH2 3.08Å; E124-R127 VanDerWaalsContact OE2-CD 3.23Å; E124-R127 WeakPolarHBondContact OE2-CD 3.36Å; E124-R127 IonicContact OE2-CZ 3.86Å; E124-R127 IonicContact OE2-NE 2.86Å; E124-R127 PolarHBondContact OE2-NE 3.34Å; A125-R127 VanDerWaalsContact C-N 3.34Å; A125-R127 PolarHBondContact O-N 2.74Å; R127-K130 PolarHBondContact O-N 3.24Å; R127-S131 VanDerWaalsContact O-CB 3.3Å; R127-S131 WeakPolarHBondContact O-CB 3.25Å; R127-S131 PolarHBondContact O-N 3.04Å; R127-S131 PolarHBondContact O-OG 2.84Å
128R97.8Very high97.5Very high3 Ų325.2 Ų25.21%0.01114%0.142CC..Hα-helixtrans-63.4-46.6178.6-75172.3-167.8-80.3-4.5112L9 D10 E124 A125 I126 S131 C132L9-R128 HydrophobicContact CB-CG 4.49Å; L9-R128 HydrophobicContact CD1-CG 3.95Å; D10-R128 IonicContact OD1-CZ 3.72Å; D10-R128 VanDerWaalsContact OD1-CZ 3.24Å; D10-R128 IonicContact OD1-NH1 3.39Å; D10-R128 PolarHBondContact OD1-NH1 3.26Å; D10-R128 IonicContact OD1-NH2 2.73Å; D10-R128 PolarHBondContact OD1-NH2 3.48Å; E124-R128 WeakPolarHBondContact O-CG 3.29Å; E124-R128 PolarHBondContact O-N 3.08Å; A125-R128 PolarHBondContact O-N 2.97Å; I126-R128 VanDerWaalsContact C-N 3.3Å; I126-R128 PolarHBondContact O-N 3.49Å; R128-S131 PolarHBondContact O-N 2.71Å; R128-C132 PolarHBondContact O-N 3.05Å; R128-C132 PolarHBondContact O-SG 2.95Å
129L97.8Very high97.5Very high3 Ų326 Ų262%0.01615%0.145CC..Hα-helixtrans-59-49.2176.5-69.8174.6000111.7W66 A125 I126 S131 C132 G133 C134 S419 V422 Q423W66-L129 HydrophobicContact CH2-CB 3.91Å; W66-L129 HydrophobicContact CH2-CD1 4.11Å; W66-L129 HydrophobicContact CZ3-CB 4.42Å; W66-L129 HydrophobicContact CZ3-CD1 3.98Å; A125-L129 WeakPolarHBondContact O-CG 3.44Å; A125-L129 PolarHBondContact O-N 2.85Å; I126-L129 PolarHBondContact O-N 2.88Å; L129-S131 VanDerWaalsContact C-N 3.31Å; L129-S131 PolarHBondContact O-N 3.28Å; L129-C132 WeakPolarHBondContact O-CA 3.36Å; L129-C132 WeakPolarHBondContact O-CB 3.48Å; L129-C132 PolarHBondContact O-N 3.35Å; L129-G133 PolarHBondContact O-N 2.98Å; L129-C134 CarbonylContact C-O 3.54Å; L129-C134 HydrophobicContact CB-CB 4.19Å; L129-C134 WeakPolarHBondContact O-CB 3.36Å; L129-C134 PolarHBondContact O-N 3.32Å; L129-S419 WeakPolarHBondContact CD2-OG 3.34Å; L129-S419 WeakPolarHBondContact CG-OG 3.47Å; L129-V422 HydrophobicContact CD1-CB 4.47Å; L129-V422 HydrophobicContact CD1-CG1 4.31Å; L129-Q423 HydrophobicContact CD1-CB 4.1Å; L129-Q423 HydrophobicContact CD2-CB 3.77Å; L129-Q423 HydrophobicContact CD2-CG 4.21Å
130K96.9Very high97.5Very high24 Ų2426.3 Ų26.310%0.10415%0.146CC..Hα-helixtrans-63-36.8177.1-69.7-168.1176-159.50112.5L46 Q47 W66 I126 R127 C132 G133 C134 H135L46-K130 WeakPolarHBondContact O-CD 3.42Å; L46-K130 WeakPolarHBondContact O-CE 3.49Å; L46-K130 PolarHBondContact O-NZ 3.2Å; Q47-K130 PolarHBondContact O-NZ 3.05Å; W66-K130 VanDerWaalsContact CE2-CE 3.49Å; W66-K130 HydrophobicContact CH2-CG 4.21Å; W66-K130 HydrophobicContact CZ2-CG 4Å; I126-K130 HydrophobicContact CG2-CD 4.22Å; I126-K130 HydrophobicContact CG2-CG 4.37Å; I126-K130 WeakPolarHBondContact O-CG 3.3Å; I126-K130 PolarHBondContact O-N 3.46Å; R127-K130 PolarHBondContact O-N 3.24Å; K130-C132 PolarHBondContact O-N 3.28Å; K130-G133 PolarHBondContact O-N 3.13Å; K130-G133 VanDerWaalsContact O-N 3.07Å; K130-C134 WeakPolarHBondContact CA-O 3.43Å; K130-H135 PolarHBondContact O-CE1 3.2Å
131S95.4Very high97.5Very high58 Ų5826.3 Ų26.341%0.40615%0.146SC..Hα-helixtrans-68.3-21.7175.6-57.30000113R127 R128 L129 G133R127-S131 VanDerWaalsContact O-CB 3.3Å; R127-S131 WeakPolarHBondContact O-CB 3.25Å; R127-S131 PolarHBondContact O-N 3.04Å; R127-S131 PolarHBondContact O-OG 2.84Å; R128-S131 PolarHBondContact O-N 2.71Å; L129-S131 VanDerWaalsContact C-N 3.31Å; L129-S131 PolarHBondContact O-N 3.28Å; S131-G133 VanDerWaalsContact C-N 3.31Å
132C94.1Very high97.5Very high70 Ų7027 Ų2747%0.47315%0.149SC..THydrogen-bonded Turntrans-85.81.4172.2-710000114M1 R128 L129 K130M1-C132 WeakPolarHBondContact CE-SG 3.3Å; M1-C132 PolarHBondContact SD-SG 2.8Å; R128-C132 PolarHBondContact O-N 3.05Å; R128-C132 PolarHBondContact O-SG 2.95Å; L129-C132 WeakPolarHBondContact O-CA 3.36Å; L129-C132 WeakPolarHBondContact O-CB 3.48Å; L129-C132 PolarHBondContact O-N 3.35Å; K130-C132 PolarHBondContact O-N 3.28Å
133G94.9Very high97.5Very high47 Ų4727 Ų2749%0.48515%0.149SC..THydrogen-bonded Turntrans85.85.7-176.300000114.3L129 K130 S131 H135L129-G133 PolarHBondContact O-N 2.98Å; K130-G133 PolarHBondContact O-N 3.13Å; K130-G133 VanDerWaalsContact O-N 3.07Å; S131-G133 VanDerWaalsContact C-N 3.31Å; G133-H135 PolarHBondContact O-CD2 2.7Å; G133-H135 VanDerWaalsContact O-CD2 3.25Å; G133-H135 PolarHBondContact O-N 3.28Å; G133-H135 VanDerWaalsContact O-N 3.15Å
134C96.4Very high97.5Very high21 Ų2127 Ų2714%0.14215%0.149CC..  trans-81.191.1169.9-177.60000108.8W66 L129 K130 L137W66-C134 VanDerWaalsContact CZ2-O 3.31Å; W66-C134 WeakPolarHBondContact CZ2-O 3.44Å; L129-C134 CarbonylContact C-O 3.54Å; L129-C134 HydrophobicContact CB-CB 4.19Å; L129-C134 WeakPolarHBondContact O-CB 3.36Å; L129-C134 PolarHBondContact O-N 3.32Å; K130-C134 WeakPolarHBondContact CA-O 3.43Å; C134-L137 VanDerWaalsContact SG-CD2 3.55Å
135H95.1Very high97.5Very high115 Ų11527 Ų2753%0.53215%0.149SC..  trans-94.4-14.8-177.9-63.9-68.5000113.8W66 K130 G133W66-H135 PolarHBondContact NE1-O 3.44Å; K130-H135 PolarHBondContact O-CE1 3.2Å; G133-H135 PolarHBondContact O-CD2 2.7Å; G133-H135 VanDerWaalsContact O-CD2 3.25Å; G133-H135 PolarHBondContact O-N 3.28Å; G133-H135 VanDerWaalsContact O-N 3.15Å
136Q97.2Very high97.5Very high103 Ų10327 Ų2748%0.48115%0.149SC..  trans-148.7142.4178.7-159.5171.224.700109.5D67 Y69D67-Q136 WeakPolarHBondContact O-CG 3.4Å; Y69-Q136 HydrophobicContact CD1-CG 4.45Å
137L98.2Very high97.5Very high2 Ų227 Ų271%0.0115%0.149CC..  trans-113.1167.1176-67.2164.1000109.7W66 G68 Y69 C134 V141 V422 Q423 A426 E427W66-L137 HydrophobicContact CD2-CD1 4.4Å; W66-L137 HydrophobicContact CE3-CD1 3.86Å; W66-L137 HydrophobicContact CH2-CD1 3.79Å; W66-L137 HydrophobicContact CH2-CG 4.12Å; W66-L137 HydrophobicContact CZ2-CD1 4.32Å; W66-L137 HydrophobicContact CZ2-CG 4.32Å; W66-L137 HydrophobicContact CZ3-CD1 3.52Å; W66-L137 HydrophobicContact CZ3-CG 4.35Å; G68-L137 CarbonylContact C-O 3.12Å; G68-L137 WeakPolarHBondContact CA-O 3.29Å; Y69-L137 VanDerWaalsContact CD1-C 3.41Å; Y69-L137 WeakPolarHBondContact CD1-O 3.32Å; Y69-L137 VanDerWaalsContact CE1-C 3.48Å; Y69-L137 PolarHBondContact N-O 3.2Å; C134-L137 VanDerWaalsContact SG-CD2 3.55Å; L137-V141 HydrophobicContact CD1-CG2 3.96Å; L137-V422 HydrophobicContact CD1-CG1 4.31Å; L137-Q423 HydrophobicContact CD2-CB 4.43Å; L137-Q423 HydrophobicContact CD2-CG 4.03Å; L137-A426 HydrophobicContact CB-CB 3.81Å; L137-A426 HydrophobicContact CD1-CB 3.68Å; L137-A426 HydrophobicContact CD2-CB 4.26Å; L137-A426 HydrophobicContact CG-CB 4.12Å; L137-E427 VanDerWaalsContact CA-OE1 3.29Å; L137-E427 WeakPolarHBondContact CA-OE1 3.29Å; L137-E427 HydrophobicContact CD2-CG 4.18Å
138R98.6Very high97.4Very high53 Ų5325.8 Ų25.820%0.215%0.145CC..SBendtrans-60.4-57.2176.8-172.2178.9-64.6144.514.9112.5Y69 Q70 L73 A426 E427 L428 P429Y69-R138 HydrophobicContact CD1-CB 4.47Å; Y69-R138 HydrophobicContact CE1-CB 3.67Å; Y69-R138 HydrophobicContact CE1-CG 4.3Å; Y69-R138 HydrophobicContact CE2-CB 4.05Å; Y69-R138 HydrophobicContact CE2-CG 3.73Å; Y69-R138 VanDerWaalsContact CZ-CA 3.41Å; Y69-R138 PolarHBondContact N-O 3Å; Y69-R138 VanDerWaalsContact OH-CB 3.25Å; Y69-R138 WeakPolarHBondContact OH-CB 3.27Å; Y69-R138 WeakPolarHBondContact OH-CG 3.43Å; Y69-R138 PolarHBondContact OH-NE 3.35Å; Y69-R138 PolarHBondContact OH-NH2 3.27Å; Q70-R138 HydrophobicContact CB-CG 4.19Å; Q70-R138 HydrophobicContact CG-CG 4.49Å; Q70-R138 PolarHBondContact N-O 2.97Å; Q70-R138 VanDerWaalsContact OE1-CG 3.3Å; L73-R138 HydrophobicContact CD1-CG 3.67Å; R138-A426 VanDerWaalsContact CB-O 3.31Å; R138-A426 WeakPolarHBondContact CB-O 3.36Å; R138-E427 VanDerWaalsContact CZ-O 3.31Å; R138-E427 IonicContact CZ-OE2 3.61Å; R138-E427 PolarHBondContact N-OE1 2.85Å; R138-E427 IonicContact NE-OE2 2.66Å; R138-E427 PolarHBondContact NH1-O 3.26Å; R138-E427 IonicContact NH2-OE2 3.86Å; R138-E427 PolarHBondContact NH2-OE2 3.16Å; R138-L428 VanDerWaalsContact NH1-C 3.27Å; R138-L428 PolarHBondContact NH1-O 3.32Å; R138-P429 VanDerWaalsContact NH1-N 3.12Å
139R98.4Very high97.3Very high16 Ų1626.1 Ų26.16%0.0615%0.147CC..SBendtrans-88.6148.8179.9-64.1168.7-176.7-80.9-6.8110.6L73 P74 A426 L428 P429L73-R139 HydrophobicContact CB-CG 3.99Å; L73-R139 HydrophobicContact CD1-CG 4.13Å; P74-R139 WeakPolarHBondContact O-CD 3.42Å; P74-R139 PolarHBondContact O-NH1 3.31Å; R139-A426 WeakPolarHBondContact CG-O 3.2Å; R139-A426 PolarHBondContact N-O 3.26Å; R139-L428 PolarHBondContact NE-O 3.32Å; R139-L428 VanDerWaalsContact NE-O 3.13Å; R139-L428 PolarHBondContact NH2-O 3.07Å; R139-P429 PolarHBondContact NH2-O 3.35Å
140T98.5Very high97.2Very high6 Ų627.5 Ų27.54%0.03715%0.153CC..  trans-65135.8167.5-620000109.5R65 W66 G68 A75 I76 Y142R65-T140 HydrophobicContact CG-CG2 3.64Å; W66-T140 WeakPolarHBondContact O-CA 3.46Å; W66-T140 WeakPolarHBondContact O-CG2 3.4Å; G68-T140 PolarHBondContact N-OG1 2.89Å; G68-T140 VanDerWaalsContact N-OG1 3.15Å; A75-T140 WeakPolarHBondContact CA-O 3.43Å; A75-T140 VanDerWaalsContact CB-O 3.31Å; A75-T140 WeakPolarHBondContact CB-O 3.38Å; I76-T140 PolarHBondContact N-O 3.04Å; T140-Y142 HydrophobicContact CG2-CD2 3.98Å; T140-Y142 HydrophobicContact CG2-CE2 3.44Å; T140-Y142 VanDerWaalsContact CG2-CE2 3.44Å
141V98.8Very high96.9Very high0 Ų031.2 Ų31.20%017%0.174CC..EExtended strand (participates in β ladder)trans-113.4125.8175.7-177.60000108.6W66 I76 L78 L137 V422 A426W66-V141 HydrophobicContact CB-CB 4.32Å; W66-V141 PolarHBondContact N-O 2.78Å; W66-V141 PolarHBondContact O-N 3.11Å; I76-V141 CarbonylContact O-C 3.45Å; I76-V141 WeakPolarHBondContact O-CA 3.35Å; L78-V141 HydrophobicContact CD1-CG1 3.87Å; L78-V141 HydrophobicContact CG-CG1 4.09Å; L137-V141 HydrophobicContact CD1-CG2 3.96Å; V141-V422 HydrophobicContact CG1-CG1 4.26Å; V141-V422 HydrophobicContact CG2-CG1 4.33Å; V141-A426 HydrophobicContact CG2-CB 3.9Å
142Y98.7Very high96.7Very high15 Ų1529.6 Ų29.66%0.05917%0.166CC..EExtended strand (participates in β ladder)trans-105.1140.2172.6-69.2-87.2000109.9I63 M64 R65 A75 I76 M77 L78 T140 I175 M180 I182I63-Y142 HydrophobicContact CG2-CD1 3.89Å; I63-Y142 HydrophobicContact CG2-CE1 4.47Å; M64-Y142 CarbonylContact O-C 3.58Å; M64-Y142 VanDerWaalsContact O-CA 3.28Å; M64-Y142 WeakPolarHBondContact O-CA 3.25Å; R65-Y142 HydrophobicContact CB-CD1 3.9Å; R65-Y142 HydrophobicContact CB-CE1 3.7Å; R65-Y142 VanDerWaalsContact CD-CE1 3.45Å; R65-Y142 VanDerWaalsContact CD-OH 3.31Å; R65-Y142 WeakPolarHBondContact CD-OH 3.36Å; R65-Y142 HydrophobicContact CG-CD1 3.92Å; R65-Y142 HydrophobicContact CG-CE1 3.4Å; R65-Y142 VanDerWaalsContact CG-CE1 3.4Å; A75-Y142 HydrophobicContact CB-CD2 3.97Å; A75-Y142 HydrophobicContact CB-CE2 3.84Å; I76-Y142 PolarHBondContact O-N 3.35Å; M77-Y142 CarbonylContact C-O 3.58Å; L78-Y142 PolarHBondContact N-O 3.33Å; T140-Y142 HydrophobicContact CG2-CD2 3.98Å; T140-Y142 HydrophobicContact CG2-CE2 3.44Å; T140-Y142 VanDerWaalsContact CG2-CE2 3.44Å; Y142-I175 HydrophobicContact CE1-CG2 4.39Å; Y142-M180 HydrophobicContact CD1-CE 3.84Å; Y142-M180 HydrophobicContact CD1-CG 4.27Å; Y142-M180 HydrophobicContact CD2-CB 4.27Å; Y142-M180 HydrophobicContact CD2-CE 4.14Å; Y142-M180 HydrophobicContact CE1-CB 4.41Å; Y142-M180 HydrophobicContact CE1-CE 4.43Å; Y142-M180 HydrophobicContact CE1-CG 3.88Å; Y142-M180 HydrophobicContact CE2-CB 3.86Å; Y142-M180 HydrophobicContact CE2-CG 4.23Å; Y142-M180 VanDerWaalsContact CE2-O 3.26Å; Y142-M180 WeakPolarHBondContact CE2-O 3.47Å; Y142-M180 HydrophobicContact CG-CE 3.67Å; Y142-I182 HydrophobicContact CD2-CD1 3.64Å; Y142-I182 HydrophobicContact CE2-CD1 4.18Å; Y142-I182 HydrophobicContact CG-CD1 4.38Å
143L98.7Very high96.6Very high0 Ų026.3 Ų26.30%014%0.144CC..EExtended strand (participates in β ladder)trans-113.4132.9163.9-5587.5000107.9L48 I63 M64 L78 Q122 L123 I126 F145L48-L143 HydrophobicContact CD1-CD1 4.15Å; I63-L143 WeakPolarHBondContact CA-O 3.25Å; M64-L143 HydrophobicContact CB-CB 4.24Å; M64-L143 HydrophobicContact CB-CD1 4.16Å; M64-L143 PolarHBondContact N-O 2.99Å; M64-L143 PolarHBondContact O-N 3.3Å; L78-L143 HydrophobicContact CB-CG 4.35Å; L78-L143 HydrophobicContact CD1-CD2 4.41Å; L78-L143 HydrophobicContact CD1-CG 4.26Å; L78-L143 WeakPolarHBondContact O-CA 3.39Å; Q122-L143 HydrophobicContact CB-CD2 3.98Å; L123-L143 HydrophobicContact CD2-CD2 3.96Å; L123-L143 HydrophobicContact CG-CD2 4.08Å; I126-L143 HydrophobicContact CD1-CD1 3.22Å; I126-L143 HydrophobicContact CD1-CD2 3.67Å; I126-L143 HydrophobicContact CD1-CG 3.94Å; L143-F145 HydrophobicContact CB-CE2 4.23Å
144T98.6Very high96.4Very high0 Ų028.1 Ų28.10%015%0.145CC..EExtended strand (participates in β ladder)trans-121.3135.5176.549.70000110.5V62 I63 M77 L78 N79 S80 M180V62-T144 WeakPolarHBondContact O-CA 3.5Å; I63-T144 HydrophobicContact CG1-CG2 4.26Å; I63-T144 HydrophobicContact CG2-CG2 4.41Å; M77-T144 HydrophobicContact CE-CG2 3.81Å; M77-T144 WeakPolarHBondContact CE-OG1 3.43Å; L78-T144 PolarHBondContact O-N 3.19Å; N79-T144 WeakPolarHBondContact CA-OG1 3.48Å; N79-T144 PolarHBondContact OD1-OG1 3.47Å; S80-T144 PolarHBondContact N-O 3.36Å; S80-T144 PolarHBondContact OG-O 3.47Å; S80-T144 VanDerWaalsContact OG-O 3.1Å; T144-M180 HydrophobicContact CG2-CE 4.29Å
145F98.6Very high96.2Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-117.5106.1169.8-61.5-97.6000106.9Y20 L39 I61 V62 M64 S80 M82 L123 L143Y20-F145 HydrophobicContact CE1-CE1 4.39Å; L39-F145 HydrophobicContact CD1-CB 4Å; L39-F145 HydrophobicContact CD1-CD1 3.73Å; L39-F145 HydrophobicContact CD1-CD2 4.33Å; L39-F145 HydrophobicContact CD1-CE1 4.32Å; L39-F145 HydrophobicContact CD1-CG 3.75Å; L39-F145 HydrophobicContact CD2-CD1 4.05Å; L39-F145 HydrophobicContact CD2-CE1 3.77Å; L39-F145 HydrophobicContact CD2-CE2 4.34Å; L39-F145 HydrophobicContact CD2-CG 4.45Å; L39-F145 HydrophobicContact CD2-CZ 3.96Å; I61-F145 WeakPolarHBondContact CA-O 3.13Å; V62-F145 HydrophobicContact CB-CB 4.05Å; V62-F145 HydrophobicContact CB-CD2 4.33Å; V62-F145 HydrophobicContact CG2-CB 4.4Å; V62-F145 PolarHBondContact N-O 2.92Å; V62-F145 PolarHBondContact O-N 3.07Å; M64-F145 HydrophobicContact CE-CD2 4.11Å; M64-F145 HydrophobicContact CE-CE2 3.75Å; M64-F145 HydrophobicContact SD-CE2 4.35Å; S80-F145 CarbonylContact O-C 3.27Å; S80-F145 WeakPolarHBondContact O-CA 3.4Å; S80-F145 WeakPolarHBondContact OG-CD1 3.47Å; S80-F145 WeakPolarHBondContact OG-CE1 3.26Å; M82-F145 WeakPolarHBondContact CE-O 3.27Å; M82-F145 HydrophobicContact CG-CB 3.69Å; M82-F145 HydrophobicContact SD-CB 3.94Å; L123-F145 HydrophobicContact CD1-CE1 4.24Å; L123-F145 HydrophobicContact CD1-CE2 4.09Å; L123-F145 HydrophobicContact CD1-CZ 3.42Å; L123-F145 VanDerWaalsContact CD1-CZ 3.42Å; L123-F145 HydrophobicContact CG-CE2 4.37Å; L123-F145 HydrophobicContact CG-CZ 3.86Å; L143-F145 HydrophobicContact CB-CE2 4.23Å
146V98.2Very high96.2Very high0 Ų026.4 Ų26.40%013%0.134CC..EExtended strand (participates in β ladder)trans-104.5153.6-172.3-620000112.1I61 S80 H81 M82 M157 D365I61-V146 HydrophobicContact CG1-CG1 4.4Å; I61-V146 HydrophobicContact CG2-CG1 3.97Å; S80-V146 WeakPolarHBondContact O-CG2 3.29Å; S80-V146 PolarHBondContact O-N 3.12Å; H81-V146 CarbonylContact C-O 3.57Å; H81-V146 VanDerWaalsContact CA-O 3.26Å; H81-V146 WeakPolarHBondContact CA-O 3.39Å; H81-V146 HydrophobicContact CB-CG2 3.78Å; M82-V146 PolarHBondContact N-O 3.5Å; V146-M157 HydrophobicContact CG1-CE 3.78Å; V146-D365 WeakPolarHBondContact CG2-OD2 3.44Å
147P97.8Very high96.1Very high0 Ų021.5 Ų21.50%011%0.111CC..SBendtrans-94172.8172.538.7-33.5000111.1Y32 N59 P60 I61 M82 E149 G156Y32-P147 HydrophobicContact CD2-CB 4.46Å; Y32-P147 HydrophobicContact CE1-CB 4.1Å; Y32-P147 HydrophobicContact CE2-CB 3.79Å; N59-P147 HydrophobicContact CB-CB 4.21Å; N59-P147 HydrophobicContact CB-CG 3.7Å; P60-P147 WeakPolarHBondContact O-CD 3.38Å; I61-P147 HydrophobicContact CG1-CG 4.39Å; M82-P147 HydrophobicContact CE-CB 4.42Å; P147-E149 PolarHBondContact O-N 2.91Å; P147-E149 VanDerWaalsContact O-N 3.07Å; P147-G156 WeakPolarHBondContact O-CA 3.16Å
148D96.4Very high95.8Very high6 Ų626 Ų263%0.03213%0.131CC..  trans62.99.2165.8-164.174.2000116.1Y32 D83 E150 L151 G152 G153 V154 K155Y32-D148 PolarHBondContact OH-N 3.13Å; D83-D148 PolarHBondContact OD1-N 2.78Å; D83-D148 VanDerWaalsContact OD2-C 3.27Å; D83-D148 VanDerWaalsContact OD2-CA 3.28Å; D83-D148 WeakPolarHBondContact OD2-CA 3.38Å; D83-D148 PolarHBondContact OD2-N 3.21Å; D148-E150 VanDerWaalsContact C-N 3.27Å; D148-E150 PolarHBondContact O-N 2.86Å; D148-L151 PolarHBondContact O-N 3.34Å; D148-L151 VanDerWaalsContact O-N 3.12Å; D148-G152 PolarHBondContact O-N 2.8Å; D148-G153 WeakPolarHBondContact O-CA 3.28Å; D148-G153 PolarHBondContact O-N 3.25Å; D148-V154 PolarHBondContact OD2-N 3.26Å; D148-K155 HydrophobicContact CB-CB 4Å; D148-K155 WeakPolarHBondContact OD2-CB 3.19Å; D148-K155 PolarHBondContact OD2-N 3.43Å
149E96.6Very high95.5Very high10 Ų1024 Ų245%0.04712%0.124CC..G310 helixtrans-56.7-45.4-179.7-164.3-58.9131.200110.1H81 D83 P147 L151 G152 T364 D365H81-E149 HydrophobicContact CB-CB 3.31Å; H81-E149 HydrophobicContact CB-CG 3.83Å; H81-E149 VanDerWaalsContact CG-CB 3.42Å; D83-E149 PolarHBondContact OD1-N 2.85Å; D83-E149 PolarHBondContact OD2-N 2.78Å; D83-E149 VanDerWaalsContact OD2-N 3.12Å; P147-E149 PolarHBondContact O-N 2.91Å; P147-E149 VanDerWaalsContact O-N 3.07Å; E149-L151 PolarHBondContact O-N 2.81Å; E149-G152 WeakPolarHBondContact O-CA 3.48Å; E149-G152 PolarHBondContact O-N 3.11Å; E149-T364 WeakPolarHBondContact OE1-CA 3.26Å; E149-D365 HydrophobicContact CG-CB 4.42Å
150E95.1Very high95.3Very high31 Ų3123.5 Ų23.515%0.14512%0.123CC..G310 helixtrans-66-13.8-175.5-64-88.3-136.400112.6H81 D83 V84 V85 D148 H400H81-E150 IonicContact CE1-OE1 3.79Å; D83-E150 WeakPolarHBondContact OD2-CB 3.34Å; D83-E150 PolarHBondContact OD2-N 3.36Å; V84-E150 WeakPolarHBondContact CA-OE1 3.49Å; V85-E150 HydrophobicContact CG1-CB 4.29Å; V85-E150 HydrophobicContact CG1-CG 4.35Å; V85-E150 VanDerWaalsContact CG1-OE2 3.23Å; V85-E150 WeakPolarHBondContact CG1-OE2 3.39Å; V85-E150 PolarHBondContact N-OE1 3.31Å; D148-E150 VanDerWaalsContact C-N 3.27Å; D148-E150 PolarHBondContact O-N 2.86Å; E150-H400 IonicContact OE1-CD2 2.76Å; E150-H400 IonicContact OE1-NE2 2.76Å; E150-H400 IonicContact OE2-CD2 3.62Å; E150-H400 IonicContact OE2-CE1 3.41Å; E150-H400 PolarHBondContact OE2-CE1 3.39Å; E150-H400 IonicContact OE2-NE2 2.69Å; E150-H400 PolarHBondContact OE2-NE2 3.5Å
151L91.8Very high95Very high103 Ų10323.4 Ų23.454%0.53912%0.122SC..G310 helixtrans-106.710.2173.2-59.2-174.8000113.1H27 D148 E149H27-L151 WeakPolarHBondContact CE1-CD1 3.12Å; H27-L151 WeakPolarHBondContact ND1-CD1 3.41Å; D148-L151 PolarHBondContact O-N 3.34Å; D148-L151 VanDerWaalsContact O-N 3.12Å; E149-L151 PolarHBondContact O-N 2.81Å
152G89.5Confident94.5Very high24 Ų2424.9 Ų24.925%0.24713%0.132CC..THydrogen-bonded Turntrans97.616.2177.300000115.1D148 E149 V154 R367 F368D148-G152 PolarHBondContact O-N 2.8Å; E149-G152 WeakPolarHBondContact O-CA 3.48Å; E149-G152 PolarHBondContact O-N 3.11Å; G152-V154 PolarHBondContact O-N 3.11Å; G152-V154 VanDerWaalsContact O-N 3.12Å; G152-R367 PolarHBondContact O-NH2 3.36Å; G152-F368 WeakPolarHBondContact O-CZ 3.4Å
153G91.9Very high93.5Very high0 Ų026.7 Ų26.70%014%0.143CC..SBendtrans63.319.4173.100000114.3D148 K155 G156 M157 K158D148-G153 WeakPolarHBondContact O-CA 3.28Å; D148-G153 PolarHBondContact O-N 3.25Å; G153-K155 VanDerWaalsContact C-N 3.27Å; G153-K155 PolarHBondContact O-N 3.32Å; G153-G156 PolarHBondContact O-N 2.95Å; G153-M157 PolarHBondContact O-N 3.28Å; G153-K158 WeakPolarHBondContact O-CB 3.26Å; G153-K158 PolarHBondContact O-N 3.27Å
154V90.6Very high91.7Very high85 Ų8533.4 Ų33.452%0.51517%0.174SC..THydrogen-bonded Turntrans-70.1-27.4-173.7-178.30000111.4D148 G152 P159D148-V154 PolarHBondContact OD2-N 3.26Å; G152-V154 PolarHBondContact O-N 3.11Å; G152-V154 VanDerWaalsContact O-N 3.12Å; V154-P159 VanDerWaalsContact O-CD 3.23Å; V154-P159 WeakPolarHBondContact O-CD 3.23Å
155K92.5Very high89.5Confident101 Ų10135.3 Ų35.344%0.43918%0.184SC..THydrogen-bonded Turntrans-105.7-4.7174.1-57.1175.2-175.7167.60113.4V56 N59 D148 G153V56-K155 HydrophobicContact CB-CB 4.29Å; V56-K155 HydrophobicContact CG1-CB 4.1Å; V56-K155 HydrophobicContact CG1-CD 4.39Å; V56-K155 HydrophobicContact CG1-CG 4.2Å; V56-K155 HydrophobicContact CG2-CB 4.34Å; N59-K155 HydrophobicContact CB-CB 4.32Å; D148-K155 HydrophobicContact CB-CB 4Å; D148-K155 WeakPolarHBondContact OD2-CB 3.19Å; D148-K155 PolarHBondContact OD2-N 3.43Å; G153-K155 VanDerWaalsContact C-N 3.27Å; G153-K155 PolarHBondContact O-N 3.32Å
156G94.9Very high86.9Confident0 Ų038.8 Ų38.80%022%0.22CC..THydrogen-bonded Turntrans-108.1-105.8-179.200000113.3P147 G153 K158 P159 F160P147-G156 WeakPolarHBondContact O-CA 3.16Å; G153-G156 PolarHBondContact O-N 2.95Å; G156-K158 VanDerWaalsContact C-N 3.34Å; G156-K158 PolarHBondContact O-N 3.07Å; G156-P159 WeakPolarHBondContact O-CD 3.44Å; G156-P159 VanDerWaalsContact O-CG 3.26Å; G156-P159 WeakPolarHBondContact O-CG 3.24Å; G156-F160 PolarHBondContact O-N 3.13Å
157M95Very high84.2Confident0 Ų042.9 Ų42.90%025%0.248CC..Hα-helixtrans-61.3-37.2-174.2-173.865.17600113.7M77 N79 V146 G153 F160 V161 D365 F368 V369M77-M157 HydrophobicContact CE-CE 3.45Å; M77-M157 VanDerWaalsContact CE-CE 3.45Å; M77-M157 HydrophobicContact CE-SD 4.01Å; N79-M157 HydrophobicContact CB-CE 4.49Å; N79-M157 VanDerWaalsContact CG-CE 3.44Å; N79-M157 WeakPolarHBondContact OD1-CE 3.1Å; V146-M157 HydrophobicContact CG1-CE 3.78Å; G153-M157 PolarHBondContact O-N 3.28Å; M157-F160 WeakPolarHBondContact O-CB 3.32Å; M157-F160 PolarHBondContact O-N 2.72Å; M157-F160 HydrophobicContact SD-CD1 3.96Å; M157-V161 HydrophobicContact CG-CG2 3.88Å; M157-V161 WeakPolarHBondContact O-CG2 3.28Å; M157-V161 PolarHBondContact O-N 3.21Å; M157-V161 HydrophobicContact SD-CG2 3.69Å; M157-D365 HydrophobicContact CB-CB 3.82Å; M157-D365 VanDerWaalsContact CB-OD1 3.26Å; M157-D365 WeakPolarHBondContact CB-OD1 3.4Å; M157-D365 VanDerWaalsContact CB-OD2 3.28Å; M157-D365 WeakPolarHBondContact CB-OD2 3.48Å; M157-D365 HydrophobicContact CE-CB 4.09Å; M157-D365 HydrophobicContact CG-CB 3.89Å; M157-F368 HydrophobicContact CB-CD2 3.88Å; M157-F368 HydrophobicContact CG-CB 3.94Å; M157-F368 HydrophobicContact CG-CD2 3.92Å; M157-F368 HydrophobicContact CG-CG 4.37Å; M157-V369 HydrophobicContact CE-CG2 4.48Å; M157-V369 HydrophobicContact SD-CG2 4.18Å
158K92.6Very high81.6Confident97 Ų9749.5 Ų49.542%0.42228%0.283SS..Hα-helixtrans-58-56-178.3-174.8-179.5-177.3176.80112.9G153 G156 F160 V161 S162 F368G153-K158 WeakPolarHBondContact O-CB 3.26Å; G153-K158 PolarHBondContact O-N 3.27Å; G156-K158 VanDerWaalsContact C-N 3.34Å; G156-K158 PolarHBondContact O-N 3.07Å; K158-F160 VanDerWaalsContact C-N 3.25Å; K158-F160 PolarHBondContact O-N 2.92Å; K158-V161 PolarHBondContact O-N 2.85Å; K158-S162 VanDerWaalsContact O-CB 3.32Å; K158-S162 WeakPolarHBondContact O-CB 3.37Å; K158-S162 PolarHBondContact O-N 3.4Å; K158-S162 PolarHBondContact O-OG 3.32Å; K158-F368 HydrophobicContact CB-CD1 3.89Å; K158-F368 HydrophobicContact CB-CD2 4.25Å; K158-F368 HydrophobicContact CB-CE1 3.63Å; K158-F368 HydrophobicContact CB-CE2 3.99Å; K158-F368 HydrophobicContact CB-CG 4.19Å; K158-F368 HydrophobicContact CB-CZ 3.67Å; K158-F368 HydrophobicContact CD-CE1 3.75Å; K158-F368 HydrophobicContact CD-CZ 4.12Å; K158-F368 HydrophobicContact CG-CD1 3.93Å; K158-F368 HydrophobicContact CG-CE1 3.64Å; K158-F368 HydrophobicContact CG-CZ 4.14Å
159P92.1Very high79.3Confident11 Ų1156.1 Ų56.17%0.07132%0.318CS..Hα-helixtrans-65.5-28.9177.424.1-33.6000112.6I55 V56 V154 G156 S162 N163 H164I55-P159 HydrophobicContact CG2-CB 3.89Å; V56-P159 HydrophobicContact CG2-CB 4.41Å; V56-P159 HydrophobicContact CG2-CG 4.05Å; V154-P159 VanDerWaalsContact O-CD 3.23Å; V154-P159 WeakPolarHBondContact O-CD 3.23Å; G156-P159 WeakPolarHBondContact O-CD 3.44Å; G156-P159 VanDerWaalsContact O-CG 3.26Å; G156-P159 WeakPolarHBondContact O-CG 3.24Å; P159-S162 WeakPolarHBondContact CA-OG 3.43Å; P159-N163 PolarHBondContact O-N 2.91Å; P159-N163 VanDerWaalsContact O-N 3.12Å; P159-H164 HydrophobicContact CB-CB 4.26Å; P159-H164 PolarHBondContact O-N 3.33Å
160F93.8Very high77.2Confident5 Ų560.9 Ų60.92%0.02234%0.341CS..Hα-helixtrans-65-49.1175.3-177-124.5000113.4I55 I61 I63 G156 M157 K158 F177 M180I55-F160 VanDerWaalsContact CD1-CA 3.41Å; I55-F160 HydrophobicContact CD1-CB 3.95Å; I55-F160 HydrophobicContact CD1-CD2 3.85Å; I55-F160 HydrophobicContact CD1-CG 4.42Å; I61-F160 HydrophobicContact CD1-CB 3.49Å; I61-F160 VanDerWaalsContact CD1-CB 3.49Å; I61-F160 HydrophobicContact CD1-CD1 4.29Å; I61-F160 HydrophobicContact CD1-CD2 3.99Å; I61-F160 HydrophobicContact CD1-CG 3.68Å; I63-F160 HydrophobicContact CD1-CE1 4.46Å; I63-F160 HydrophobicContact CD1-CE2 3.69Å; I63-F160 HydrophobicContact CD1-CZ 3.47Å; I63-F160 VanDerWaalsContact CD1-CZ 3.47Å; I63-F160 HydrophobicContact CG1-CZ 4.38Å; G156-F160 PolarHBondContact O-N 3.13Å; M157-F160 WeakPolarHBondContact O-CB 3.32Å; M157-F160 PolarHBondContact O-N 2.72Å; M157-F160 HydrophobicContact SD-CD1 3.96Å; K158-F160 VanDerWaalsContact C-N 3.25Å; K158-F160 PolarHBondContact O-N 2.92Å; F160-F177 HydrophobicContact CD1-CB 4.35Å; F160-F177 AromaticContact CD1-CD2 3.92Å; F160-F177 HydrophobicContact CD1-CD2 3.92Å; F160-F177 HydrophobicContact CE1-CB 4.14Å; F160-F177 AromaticContact CE1-CD2 3.64Å; F160-F177 HydrophobicContact CE1-CD2 3.64Å; F160-F177 HydrophobicContact CE1-CG 4.39Å; F160-F177 HydrophobicContact CE2-CB 4.33Å; F160-F177 HydrophobicContact CZ-CB 4.11Å; F160-F177 HydrophobicContact CZ-CD2 4.34Å; F160-F177 WeakPolarHBondContact O-CB 3.5Å; F160-M180 HydrophobicContact CE1-SD 4.06Å; F160-M180 HydrophobicContact CZ-SD 3.6Å; F160-M180 VanDerWaalsContact CZ-SD 3.6Å
161V92.8Very high75.2Confident4 Ų466.1 Ų66.12%0.02437%0.365CS..Hα-helixtrans-70.4-38.2177.3178.20000111.4M157 K158 N163 F177 F368 V369 Y372 L375M157-V161 HydrophobicContact CG-CG2 3.88Å; M157-V161 WeakPolarHBondContact O-CG2 3.28Å; M157-V161 PolarHBondContact O-N 3.21Å; M157-V161 HydrophobicContact SD-CG2 3.69Å; K158-V161 PolarHBondContact O-N 2.85Å; V161-N163 VanDerWaalsContact C-N 3.26Å; V161-N163 PolarHBondContact O-N 2.9Å; V161-F177 HydrophobicContact CB-CD1 4.5Å; V161-F177 HydrophobicContact CB-CG 4.48Å; V161-F177 HydrophobicContact CG1-CD1 4.15Å; V161-F177 HydrophobicContact CG1-CE1 4.04Å; V161-F177 HydrophobicContact CG1-CZ 4.39Å; V161-F177 HydrophobicContact CG2-CD1 4.44Å; V161-F177 HydrophobicContact CG2-CD2 3.86Å; V161-F177 HydrophobicContact CG2-CE1 4.4Å; V161-F177 HydrophobicContact CG2-CE2 3.79Å; V161-F177 HydrophobicContact CG2-CG 4.19Å; V161-F177 HydrophobicContact CG2-CZ 4.08Å; V161-F368 HydrophobicContact CB-CB 4.46Å; V161-F368 WeakPolarHBondContact CG1-O 3.31Å; V161-F368 HydrophobicContact CG2-CB 4.19Å; V161-V369 HydrophobicContact CG2-CG2 4.42Å; V161-Y372 HydrophobicContact CG1-CD2 3.74Å; V161-Y372 HydrophobicContact CG1-CG 4.24Å; V161-L375 HydrophobicContact CG1-CD1 3.97Å; V161-L375 WeakPolarHBondContact O-CD1 3.27Å
162S89.2Confident73.4Confident30 Ų3067.2 Ų67.221%0.2138%0.381CS..Hα-helixtrans-80.3-0.3-178.162.80000115.4K158 P159 H164 H377K158-S162 VanDerWaalsContact O-CB 3.32Å; K158-S162 WeakPolarHBondContact O-CB 3.37Å; K158-S162 PolarHBondContact O-N 3.4Å; K158-S162 PolarHBondContact O-OG 3.32Å; P159-S162 WeakPolarHBondContact CA-OG 3.43Å; S162-H164 VanDerWaalsContact C-N 3.3Å; S162-H164 PolarHBondContact O-N 3.35Å; S162-H377 VanDerWaalsContact C-CE1 3.49Å; S162-H377 PolarHBondContact O-CE1 3.17Å
163N77.3Confident72.3Confident54 Ų5472.2 Ų72.229%0.28940%0.398SS..THydrogen-bonded Turntrans53.244.9177.4-166.127.5000112.5P159 V161 N165 Q178 H377P159-N163 PolarHBondContact O-N 2.91Å; P159-N163 VanDerWaalsContact O-N 3.12Å; V161-N163 VanDerWaalsContact C-N 3.26Å; V161-N163 PolarHBondContact O-N 2.9Å; N163-N165 PolarHBondContact O-N 2.88Å; N163-Q178 PolarHBondContact ND2-OE1 3.2Å; N163-H377 WeakPolarHBondContact CB-NE2 3.34Å
164H61Low71.7Confident140 Ų14075.3 Ų75.365%0.64841%0.412SS*.  trans-73.620.2-171.3-142.3-59.8000114.6P159 S162 G166P159-H164 HydrophobicContact CB-CB 4.26Å; P159-H164 PolarHBondContact O-N 3.33Å; S162-H164 VanDerWaalsContact C-N 3.3Å; S162-H164 PolarHBondContact O-N 3.35Å; H164-G166 VanDerWaalsContact C-N 3.25Å; H164-G166 PolarHBondContact O-N 3Å
165N52Low71.5Confident41 Ų4172.2 Ų72.222%0.21939%0.393CS..  trans-70.880.1171.1-76.2-6000110N163 C167N163-N165 PolarHBondContact O-N 2.88Å; N165-C167 PolarHBondContact O-N 3.48Å
166G43.4Very low71.4Confident73 Ų7371.7 Ų71.775%0.75339%0.388SS*.  trans-66.7-4158.200000112.8H164 N168H164-G166 VanDerWaalsContact C-N 3.25Å; H164-G166 PolarHBondContact O-N 3Å; G166-N168 PolarHBondContact O-N 2.76Å
167C42.1Very low71.3Confident86 Ų8672 Ų7258%0.58139%0.39SS*.  trans-85.8102.2174.5-60.20000109.5N165 N169N165-C167 PolarHBondContact O-N 3.48Å; C167-N169 PolarHBondContact O-N 2.88Å
168N44Very low71.2Confident139 Ų13973.9 Ų73.974%0.74340%0.398SS*.  trans-63.15.9168.7-73.1-27.1000113.9G166 H170G166-N168 PolarHBondContact O-N 2.76Å; N168-H170 PolarHBondContact O-N 3.33Å
169N47.2Very low71.1Confident144 Ų14473.3 Ų73.377%0.7740%0.4SS*.  trans-85.565.3175.2-71.4-9.3000109.5C167 H171C167-N169 PolarHBondContact O-N 2.88Å; N169-H171 PolarHBondContact O-N 2.81Å
170H51.4Low71.2Confident111 Ų11172.9 Ų72.951%0.51440%0.397SS..  trans-72.5122.7178.3-57.6-56.4000110.6N168N168-H170 PolarHBondContact O-N 3.33Å
171H53.6Low71.3Confident141 Ų14176 Ų7665%0.65341%0.413SS*.  trans-81.8127.7158.3-70.8-51.7000108.5N169 E173 E174N169-H171 PolarHBondContact O-N 2.81Å; H171-E173 PolarHBondContact O-N 3.3Å; H171-E174 HydrophobicContact CB-CG 4.45Å; H171-E174 PolarHBondContact O-N 3.17Å
172S54.7Low71.4Confident126 Ų12676.1 Ų76.188%0.88141%0.414SS*.THydrogen-bonded Turntrans-61.51.7-177.3540000115.2
173E66Low71.7Confident129 Ų12975.4 Ų75.460%0.60341%0.411SS*.THydrogen-bonded Turntrans-113.50.8-172.5-64.3-162.8-171.200114.7K51 H171K51-E173 WeakPolarHBondContact CD-O 3.37Å; K51-E173 VanDerWaalsContact CE-O 3.3Å; K51-E173 WeakPolarHBondContact CE-O 3.26Å; K51-E173 IonicContact NZ-OE2 3.57Å; K51-E173 PolarHBondContact NZ-OE2 3.11Å; H171-E173 PolarHBondContact O-N 3.3Å
174E79.3Confident72.7Confident65 Ų6572.8 Ų72.830%0.30440%0.397SS..PPolyproline II helixtrans-79.3140.7179.9-69.2173.8-169.100112H171H171-E174 HydrophobicContact CB-CG 4.45Å; H171-E174 PolarHBondContact O-N 3.17Å
175I87.2Confident74.5Confident20 Ų2066.1 Ų66.110%0.10337%0.366CS..PPolyproline II helixtrans-88.9117.6170.3-62.9173.2000108K51 I63 Y142 M180K51-I175 HydrophobicContact CB-CD1 3.97Å; K51-I175 HydrophobicContact CB-CG1 4.21Å; K51-I175 HydrophobicContact CG-CD1 3.86Å; K51-I175 HydrophobicContact CG-CG1 4.03Å; I63-I175 HydrophobicContact CB-CD1 4.27Å; I63-I175 HydrophobicContact CD1-CB 3.91Å; I63-I175 HydrophobicContact CD1-CG2 4.08Å; I63-I175 HydrophobicContact CG2-CB 4.45Å; I63-I175 HydrophobicContact CG2-CD1 3.79Å; I63-I175 HydrophobicContact CG2-CG2 4.18Å; Y142-I175 HydrophobicContact CE1-CG2 4.39Å; I175-M180 HydrophobicContact CG2-CG 3.48Å; I175-M180 VanDerWaalsContact CG2-CG 3.48Å; I175-M180 HydrophobicContact CG2-SD 3.82Å
176R89.8Confident76.7Confident90 Ų9064.2 Ų64.234%0.3436%0.356SS..PPolyproline II helixtrans-94.1146174-56.3179.9-61.8-179.14.5110.3Q178 D179 M180R176-Q178 VanDerWaalsContact C-N 3.27Å; R176-Q178 HydrophobicContact CB-CG 4.12Å; R176-Q178 PolarHBondContact O-N 3.46Å; R176-D179 IonicContact CZ-OD1 3.87Å; R176-D179 IonicContact CZ-OD2 3.64Å; R176-D179 IonicContact NE-OD1 3.08Å; R176-D179 IonicContact NE-OD2 3.28Å; R176-D179 PolarHBondContact NE-OD2 3.32Å; R176-D179 VanDerWaalsContact NH2-CG 3.26Å; R176-D179 IonicContact NH2-OD1 3.18Å; R176-D179 PolarHBondContact NH2-OD1 3.15Å; R176-D179 IonicContact NH2-OD2 3.82Å; R176-D179 PolarHBondContact NH2-OD2 2.87Å; R176-D179 PolarHBondContact O-N 2.69Å; R176-M180 WeakPolarHBondContact O-CG 3.13Å; R176-M180 PolarHBondContact O-N 2.85Å
177F93.4Very high79.2Confident7 Ų760.8 Ų60.83%0.03132%0.32CS..G310 helixtrans-53.1-44.4178-172.8-90.1000112.7M77 F160 V161 D179 M180 I182 V369 Y372 I384M77-F177 HydrophobicContact CE-CE2 4.45Å; M77-F177 HydrophobicContact SD-CE2 3.95Å; F160-F177 HydrophobicContact CD1-CB 4.35Å; F160-F177 AromaticContact CD1-CD2 3.92Å; F160-F177 HydrophobicContact CD1-CD2 3.92Å; F160-F177 HydrophobicContact CE1-CB 4.14Å; F160-F177 AromaticContact CE1-CD2 3.64Å; F160-F177 HydrophobicContact CE1-CD2 3.64Å; F160-F177 HydrophobicContact CE1-CG 4.39Å; F160-F177 HydrophobicContact CE2-CB 4.33Å; F160-F177 HydrophobicContact CZ-CB 4.11Å; F160-F177 HydrophobicContact CZ-CD2 4.34Å; F160-F177 WeakPolarHBondContact O-CB 3.5Å; V161-F177 HydrophobicContact CB-CD1 4.5Å; V161-F177 HydrophobicContact CB-CG 4.48Å; V161-F177 HydrophobicContact CG1-CD1 4.15Å; V161-F177 HydrophobicContact CG1-CE1 4.04Å; V161-F177 HydrophobicContact CG1-CZ 4.39Å; V161-F177 HydrophobicContact CG2-CD1 4.44Å; V161-F177 HydrophobicContact CG2-CD2 3.86Å; V161-F177 HydrophobicContact CG2-CE1 4.4Å; V161-F177 HydrophobicContact CG2-CE2 3.79Å; V161-F177 HydrophobicContact CG2-CG 4.19Å; V161-F177 HydrophobicContact CG2-CZ 4.08Å; F177-D179 PolarHBondContact O-N 3.4Å; F177-M180 HydrophobicContact CD2-SD 4.49Å; F177-M180 WeakPolarHBondContact O-CB 3.46Å; F177-M180 PolarHBondContact O-N 3.35Å; F177-M180 VanDerWaalsContact O-N 3.11Å; F177-I182 HydrophobicContact CE2-CG1 4.44Å; F177-I182 HydrophobicContact CZ-CG1 4.48Å; F177-V369 HydrophobicContact CE2-CG2 4.33Å; F177-V369 HydrophobicContact CZ-CG1 4.29Å; F177-V369 HydrophobicContact CZ-CG2 4.43Å; F177-Y372 AromaticContact CD1-CD2 3.63Å; F177-Y372 HydrophobicContact CD1-CD2 3.63Å; F177-Y372 AromaticContact CD1-CE2 3.7Å; F177-Y372 HydrophobicContact CD1-CE2 3.7Å; F177-Y372 HydrophobicContact CD1-CG 4.11Å; F177-Y372 AromaticContact CE1-CD1 3.94Å; F177-Y372 HydrophobicContact CE1-CD1 3.94Å; F177-Y372 AromaticContact CE1-CD2 3.53Å; F177-Y372 HydrophobicContact CE1-CD2 3.53Å; F177-Y372 HydrophobicContact CE1-CE1 4.31Å; F177-Y372 AromaticContact CE1-CE2 3.97Å; F177-Y372 HydrophobicContact CE1-CE2 3.97Å; F177-Y372 AromaticContact CE1-CG 3.52Å; F177-Y372 HydrophobicContact CE1-CG 3.52Å; F177-I384 HydrophobicContact CE1-CD1 4.1Å; F177-I384 HydrophobicContact CZ-CD1 4.04Å
178Q91.6Very high81.8Confident39 Ų3956.9 Ų56.918%0.18229%0.294CS..G310 helixtrans-62.9-24.3179.865.5179.431.200114.5N163 R176 Y372N163-Q178 PolarHBondContact ND2-OE1 3.2Å; R176-Q178 VanDerWaalsContact C-N 3.27Å; R176-Q178 HydrophobicContact CB-CG 4.12Å; R176-Q178 PolarHBondContact O-N 3.46Å; Q178-Y372 WeakPolarHBondContact CA-OH 3.3Å; Q178-Y372 VanDerWaalsContact CB-OH 3.25Å; Q178-Y372 WeakPolarHBondContact CB-OH 3.28Å
179D91.3Very high84.2Confident85 Ų8550.3 Ų50.346%0.45526%0.259SS..G310 helixtrans-89.6-12.8179.8-58.8-30.7000112.1R176 F177 N181R176-D179 IonicContact CZ-OD1 3.87Å; R176-D179 IonicContact CZ-OD2 3.64Å; R176-D179 IonicContact NE-OD1 3.08Å; R176-D179 IonicContact NE-OD2 3.28Å; R176-D179 PolarHBondContact NE-OD2 3.32Å; R176-D179 VanDerWaalsContact NH2-CG 3.26Å; R176-D179 IonicContact NH2-OD1 3.18Å; R176-D179 PolarHBondContact NH2-OD1 3.15Å; R176-D179 IonicContact NH2-OD2 3.82Å; R176-D179 PolarHBondContact NH2-OD2 2.87Å; R176-D179 PolarHBondContact O-N 2.69Å; F177-D179 PolarHBondContact O-N 3.4Å; D179-N181 PolarHBondContact O-N 3.16Å
180M94.6Very high86.6Confident1 Ų144.6 Ų44.61%0.00523%0.228CC..SBendtrans-73.1-14.3-179.8-67.9167.158.800112.8A75 M77 Y142 T144 F160 I175 R176 F177 I182A75-M180 VanDerWaalsContact CB-O 3.3Å; A75-M180 WeakPolarHBondContact CB-O 3.22Å; M77-M180 HydrophobicContact SD-CE 4.21Å; Y142-M180 HydrophobicContact CD1-CE 3.84Å; Y142-M180 HydrophobicContact CD1-CG 4.27Å; Y142-M180 HydrophobicContact CD2-CB 4.27Å; Y142-M180 HydrophobicContact CD2-CE 4.14Å; Y142-M180 HydrophobicContact CE1-CB 4.41Å; Y142-M180 HydrophobicContact CE1-CE 4.43Å; Y142-M180 HydrophobicContact CE1-CG 3.88Å; Y142-M180 HydrophobicContact CE2-CB 3.86Å; Y142-M180 HydrophobicContact CE2-CG 4.23Å; Y142-M180 VanDerWaalsContact CE2-O 3.26Å; Y142-M180 WeakPolarHBondContact CE2-O 3.47Å; Y142-M180 HydrophobicContact CG-CE 3.67Å; T144-M180 HydrophobicContact CG2-CE 4.29Å; F160-M180 HydrophobicContact CE1-SD 4.06Å; F160-M180 HydrophobicContact CZ-SD 3.6Å; F160-M180 VanDerWaalsContact CZ-SD 3.6Å; I175-M180 HydrophobicContact CG2-CG 3.48Å; I175-M180 VanDerWaalsContact CG2-CG 3.48Å; I175-M180 HydrophobicContact CG2-SD 3.82Å; R176-M180 WeakPolarHBondContact O-CG 3.13Å; R176-M180 PolarHBondContact O-N 2.85Å; F177-M180 HydrophobicContact CD2-SD 4.49Å; F177-M180 WeakPolarHBondContact O-CB 3.46Å; F177-M180 PolarHBondContact O-N 3.35Å; F177-M180 VanDerWaalsContact O-N 3.11Å; M180-I182 VanDerWaalsContact C-N 3.26Å; M180-I182 HydrophobicContact CB-CD1 3.67Å; M180-I182 HydrophobicContact CB-CG1 3.74Å; M180-I182 HydrophobicContact CE-CD1 3.85Å; M180-I182 HydrophobicContact CE-CG1 4.1Å; M180-I182 PolarHBondContact O-N 2.99Å
181N94.5Very high88.8Confident70 Ų7039.4 Ų39.437%0.37420%0.204SC..  trans53.240.1-179.1-170.228.7000112.8E72 L73 P74 A75 D179 G183E72-N181 PolarHBondContact O-ND2 2.93Å; E72-N181 VanDerWaalsContact O-ND2 3.13Å; L73-N181 PolarHBondContact O-ND2 3.47Å; P74-N181 CarbonylContact C-O 3.52Å; P74-N181 WeakPolarHBondContact CA-O 3.5Å; A75-N181 PolarHBondContact N-O 3.39Å; D179-N181 PolarHBondContact O-N 3.16Å; N181-G183 PolarHBondContact O-N 3.35Å
182I96.7Very high90.8Very high8 Ų832.9 Ų32.94%0.04118%0.175CC..EExtended strand (participates in β ladder)trans-66.1124.8-175.8-57.1-49.9000110.8A75 M77 Y142 F177 M180 I384A75-I182 HydrophobicContact CB-CD1 3.98Å; M77-I182 HydrophobicContact CB-CD1 3.86Å; M77-I182 HydrophobicContact CB-CG1 4.23Å; M77-I182 HydrophobicContact CB-CG2 3.89Å; M77-I182 HydrophobicContact SD-CG1 4.2Å; Y142-I182 HydrophobicContact CD2-CD1 3.64Å; Y142-I182 HydrophobicContact CE2-CD1 4.18Å; Y142-I182 HydrophobicContact CG-CD1 4.38Å; F177-I182 HydrophobicContact CE2-CG1 4.44Å; F177-I182 HydrophobicContact CZ-CG1 4.48Å; M180-I182 VanDerWaalsContact C-N 3.26Å; M180-I182 HydrophobicContact CB-CD1 3.67Å; M180-I182 HydrophobicContact CB-CG1 3.74Å; M180-I182 HydrophobicContact CE-CD1 3.85Å; M180-I182 HydrophobicContact CE-CG1 4.1Å; M180-I182 PolarHBondContact O-N 2.99Å; I182-I384 HydrophobicContact CB-CD1 4.17Å; I182-I384 HydrophobicContact CG2-CD1 4.3Å; I182-I384 HydrophobicContact CG2-CG2 3.89Å; I182-I384 WeakPolarHBondContact O-CD1 3.32Å
183G95.4Very high92.8Very high14 Ų1431.3 Ų31.314%0.14416%0.162CC..EExtended strand (participates in β ladder)trans-109.6-21.7172.100000114.2A75 N181A75-G183 PolarHBondContact O-N 2.89Å; N181-G183 PolarHBondContact O-N 3.35Å
184F97.2Very high94.2Very high0 Ų027.3 Ų27.30%015%0.148CC..EExtended strand (participates in β ladder)trans-147.5140.5-178.5-179.7-109.2000110.6A75 I76 M77 L186 W340 Q385 I387 L425A75-F184 PolarHBondContact O-N 3.02Å; I76-F184 CarbonylContact C-O 3.58Å; I76-F184 WeakPolarHBondContact CA-O 3.32Å; I76-F184 HydrophobicContact CG1-CB 4.5Å; I76-F184 HydrophobicContact CG1-CD1 4.34Å; I76-F184 HydrophobicContact CG2-CD1 4.14Å; M77-F184 PolarHBondContact N-O 3.39Å; F184-L186 HydrophobicContact CE1-CD1 4.37Å; F184-L186 HydrophobicContact CE1-CD2 3.62Å; F184-L186 HydrophobicContact CE1-CG 3.64Å; F184-L186 HydrophobicContact CZ-CD2 3.47Å; F184-L186 VanDerWaalsContact CZ-CD2 3.47Å; F184-L186 HydrophobicContact CZ-CG 4.04Å; F184-W340 HydrophobicContact CB-CD2 3.84Å; F184-W340 HydrophobicContact CB-CE3 3.96Å; F184-W340 HydrophobicContact CB-CG 4.44Å; F184-W340 HydrophobicContact CB-CH2 4.05Å; F184-W340 HydrophobicContact CB-CZ2 3.93Å; F184-W340 HydrophobicContact CB-CZ3 4.06Å; F184-W340 HydrophobicContact CD1-CD2 4.37Å; F184-W340 AromaticContact CD1-CE3 3.96Å; F184-W340 HydrophobicContact CD1-CE3 3.96Å; F184-W340 HydrophobicContact CD1-CZ3 4.36Å; F184-W340 HydrophobicContact CD2-CB 3.73Å; F184-W340 AromaticContact CD2-CD2 3.8Å; F184-W340 HydrophobicContact CD2-CD2 3.8Å; F184-W340 HydrophobicContact CD2-CE3 4.21Å; F184-W340 AromaticContact CD2-CG 3.58Å; F184-W340 HydrophobicContact CD2-CG 3.58Å; F184-W340 HydrophobicContact CE2-CB 3.6Å; F184-W340 HydrophobicContact CE2-CD2 4.49Å; F184-W340 HydrophobicContact CE2-CG 4.01Å; F184-W340 HydrophobicContact CG-CB 4.44Å; F184-W340 AromaticContact CG-CD2 3.73Å; F184-W340 HydrophobicContact CG-CD2 3.73Å; F184-W340 AromaticContact CG-CE3 3.76Å; F184-W340 HydrophobicContact CG-CE3 3.76Å; F184-W340 HydrophobicContact CG-CG 4.05Å; F184-W340 HydrophobicContact CG-CZ3 4.27Å; F184-W340 HydrophobicContact CZ-CB 4.21Å; F184-Q385 CarbonylContact C-O 3.59Å; F184-Q385 WeakPolarHBondContact CA-O 3.28Å; F184-Q385 HydrophobicContact CD2-CB 4.07Å; F184-Q385 WeakPolarHBondContact CD2-O 3.48Å; F184-I387 HydrophobicContact CE2-CD1 3.58Å; F184-I387 HydrophobicContact CE2-CG1 3.86Å; F184-I387 HydrophobicContact CZ-CD1 3.75Å; F184-I387 HydrophobicContact CZ-CG1 4.19Å; F184-L425 HydrophobicContact CD1-CD1 4.29Å; F184-L425 HydrophobicContact CD1-CD2 4.42Å; F184-L425 HydrophobicContact CE1-CD1 3.63Å; F184-L425 HydrophobicContact CE1-CD2 3.94Å; F184-L425 HydrophobicContact CE1-CG 4.39Å; F184-L425 HydrophobicContact CZ-CD2 4.37Å
185C98.1Very high95Very high0 Ų030.4 Ų30.40%016%0.163CC..EExtended strand (participates in β ladder)trans-130.1132.6178.5-172.40000110.6M77 V369 Q385 A386 I387M77-C185 HydrophobicContact CB-CB 4.25Å; M77-C185 CarbonylContact O-C 3.52Å; M77-C185 VanDerWaalsContact O-CA 3.27Å; M77-C185 WeakPolarHBondContact O-CA 3.39Å; C185-V369 HydrophobicContact CB-CG1 3.86Å; C185-Q385 PolarHBondContact N-O 3.11Å; C185-A386 HydrophobicContact CB-CB 3.84Å; C185-A386 CarbonylContact O-C 3.54Å; C185-A386 VanDerWaalsContact O-CA 3.27Å; C185-A386 WeakPolarHBondContact O-CA 3.5Å; C185-I387 PolarHBondContact O-N 2.85Å
186L98.5Very high95.5Very high1 Ų130.8 Ų30.81%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-99129159.4-66.8-180000107.8M77 L78 N79 F184 I387 F389 Y418 L421 L425M77-L186 PolarHBondContact O-N 3.34Å; L78-L186 HydrophobicContact CD2-CB 4.06Å; L78-L186 HydrophobicContact CD2-CD1 3.88Å; L78-L186 HydrophobicContact CD2-CG 4.23Å; N79-L186 PolarHBondContact N-O 2.97Å; F184-L186 HydrophobicContact CE1-CD1 4.37Å; F184-L186 HydrophobicContact CE1-CD2 3.62Å; F184-L186 HydrophobicContact CE1-CG 3.64Å; F184-L186 HydrophobicContact CZ-CD2 3.47Å; F184-L186 VanDerWaalsContact CZ-CD2 3.47Å; F184-L186 HydrophobicContact CZ-CG 4.04Å; L186-I387 WeakPolarHBondContact CA-O 3.34Å; L186-I387 HydrophobicContact CD2-CB 4.12Å; L186-F389 HydrophobicContact CD2-CB 4.43Å; L186-Y418 HydrophobicContact CD1-CD1 4.48Å; L186-Y418 HydrophobicContact CD1-CE1 3.95Å; L186-L421 HydrophobicContact CD1-CD2 3.77Å; L186-L421 HydrophobicContact CD1-CG 4.32Å; L186-L425 HydrophobicContact CD1-CD1 3.97Å
187D97.6Very high95.9Very high0 Ų026.5 Ų26.50%015%0.149CC..EExtended strand (participates in β ladder)trans-123.8-177177.3-164.127.9000109.8N79 T364 D365 A366 I387 G388 F389N79-D187 PolarHBondContact ND2-OD1 3.4Å; D187-T364 VanDerWaalsContact OD2-CB 3.31Å; D187-T364 WeakPolarHBondContact OD2-CB 3.38Å; D187-T364 PolarHBondContact OD2-OG1 2.92Å; D187-D365 PolarHBondContact OD2-N 2.84Å; D187-A366 HydrophobicContact CB-CB 3.86Å; D187-A366 WeakPolarHBondContact OD2-CA 3.28Å; D187-A366 WeakPolarHBondContact OD2-CB 3.23Å; D187-A366 PolarHBondContact OD2-N 3.23Å; D187-I387 PolarHBondContact N-O 3.28Å; D187-G388 WeakPolarHBondContact O-CA 3.3Å; D187-F389 PolarHBondContact O-N 3.37Å
188E95Very high96Very high5 Ų526.7 Ų26.72%0.02315%0.15CC..  trans-61.4144.9-179.781.6-165.9163.600114.2H81 M115 T364 G388H81-E188 IonicContact CD2-OE2 3.45Å; H81-E188 PolarHBondContact CD2-OE2 3.11Å; H81-E188 IonicContact NE2-OE2 3.37Å; H81-E188 PolarHBondContact NE2-OE2 3.35Å; M115-E188 HydrophobicContact CB-CB 4.43Å; M115-E188 HydrophobicContact CE-CB 3.38Å; M115-E188 HydrophobicContact SD-CB 3.43Å; M115-E188 WeakPolarHBondContact SD-CB 3.18Å; M115-E188 HydrophobicContact SD-CG 4.46Å; M115-E188 VanDerWaalsContact SD-OE2 3.41Å; E188-T364 HydrophobicContact CG-CG2 3.65Å; E188-T364 VanDerWaalsContact OE1-CB 3.23Å; E188-T364 WeakPolarHBondContact OE1-CB 3.29Å; E188-T364 VanDerWaalsContact OE1-CG2 3.24Å; E188-T364 WeakPolarHBondContact OE1-CG2 3.46Å; E188-G388 CarbonylContact O-C 3.52Å; E188-G388 WeakPolarHBondContact O-CA 3.47Å
189G96.2Very high96.3Very high1 Ų124.8 Ų24.81%0.0114%0.142CC..  trans-124.6179.6169.200000111S390G189-S390 WeakPolarHBondContact CA-OG 3.29Å; G189-S390 PolarHBondContact N-OG 2.99Å; G189-S390 WeakPolarHBondContact O-CB 3.25Å; G189-S390 PolarHBondContact O-OG 3.38Å
190I96.1Very high96.6Very high24 Ų2421 Ų2112%0.12312%0.121CC..PPolyproline II helixtrans-101.3144.5174.3-55.5177.1000109.4F200 F360 P361 V397 L399I190-F200 HydrophobicContact CB-CE2 4.29Å; I190-F200 HydrophobicContact CB-CZ 4.09Å; I190-F200 HydrophobicContact CD1-CZ 4.38Å; I190-F200 HydrophobicContact CG1-CE2 4.43Å; I190-F200 HydrophobicContact CG1-CZ 4.22Å; I190-F360 HydrophobicContact CD1-CD2 4.49Å; I190-F360 HydrophobicContact CD1-CE1 4.35Å; I190-F360 HydrophobicContact CD1-CE2 3.96Å; I190-F360 HydrophobicContact CD1-CZ 3.86Å; I190-F360 HydrophobicContact CG1-CD2 4.37Å; I190-F360 HydrophobicContact CG1-CE2 3.53Å; I190-F360 HydrophobicContact CG1-CZ 3.64Å; I190-P361 HydrophobicContact CD1-CG 3.6Å; I190-V397 HydrophobicContact CG2-CB 4.35Å; I190-V397 HydrophobicContact CG2-CG1 3.69Å; I190-V397 HydrophobicContact CG2-CG2 3.7Å; I190-L399 HydrophobicContact CG2-CD1 4.14Å
191P97.2Very high96.5Very high1 Ų122.5 Ų22.51%0.00613%0.127CC..PPolyproline II helixtrans-51.1146.1166.3-30.239.1000113.3Q113 I392 T395 L399Q113-P191 HydrophobicContact CB-CG 4.09Å; Q113-P191 HydrophobicContact CG-CG 4.1Å; P191-I392 HydrophobicContact CB-CB 4.17Å; P191-I392 HydrophobicContact CB-CG2 3.71Å; P191-I392 HydrophobicContact CG-CB 4.24Å; P191-I392 HydrophobicContact CG-CD1 4.23Å; P191-I392 HydrophobicContact CG-CG2 3.93Å; P191-T395 HydrophobicContact CB-CG2 4.22Å; P191-L399 VanDerWaalsContact CD-CD1 3.41Å; P191-L399 HydrophobicContact CG-CD1 4.06Å
192S96.8Very high96.4Very high5 Ų519.5 Ų19.54%0.03511%0.111CC..PPolyproline II helixtrans-97130.9170.3-171.80000110.9S194 D196 I392 R393 N394 T395S192-S194 PolarHBondContact O-N 2.86Å; S192-S194 PolarHBondContact OG-N 3.32Å; S192-S194 PolarHBondContact OG-O 3.31Å; S192-S194 PolarHBondContact OG-OG 2.73Å; S192-D196 WeakPolarHBondContact CB-O 3.25Å; S192-D196 PolarHBondContact OG-O 3.26Å; S192-I392 PolarHBondContact N-O 3.43Å; S192-R393 CarbonylContact O-C 3.59Å; S192-R393 VanDerWaalsContact O-C 3.27Å; S192-R393 WeakPolarHBondContact O-CA 3.29Å; S192-N394 PolarHBondContact O-N 3.42Å; S192-T395 CarbonylContact C-O 3.36Å; S192-T395 PolarHBondContact O-N 3.09Å; S192-T395 VanDerWaalsContact O-O 3.12Å
193C96.3Very high96Very high92 Ų9219.3 Ų19.362%0.62211%0.11SC*.SBendtrans-71-11169.8-60.10000112.9
194S96Very high95.8Very high45 Ų4519.6 Ų19.632%0.31511%0.106SC..SBendtrans-109.5-179.7178.475.20000111.8S192 D196 R393 N394S192-S194 PolarHBondContact O-N 2.86Å; S192-S194 PolarHBondContact OG-N 3.32Å; S192-S194 PolarHBondContact OG-O 3.31Å; S192-S194 PolarHBondContact OG-OG 2.73Å; S194-D196 PolarHBondContact O-N 3.4Å; S194-D196 PolarHBondContact OG-N 3.29Å; S194-R393 WeakPolarHBondContact O-CB 3.43Å; S194-N394 PolarHBondContact O-N 2.89Å; S194-N394 PolarHBondContact O-OD1 3.14Å
195E96.1Very high95.1Very high130 Ų13020.2 Ų20.261%0.60711%0.109SC*.SBendtrans-74.5-8.8176.265.7-175.5176.600114.4S353 R393 N394E195-S353 WeakPolarHBondContact O-CB 3.46Å; E195-S353 PolarHBondContact O-OG 2.88Å; E195-R393 WeakPolarHBondContact O-CD 3.32Å; E195-N394 WeakPolarHBondContact CA-OD1 3.31Å; E195-N394 PolarHBondContact N-OD1 3.35Å
196D96.9Very high94.6Very high28 Ų2821 Ų2115%0.1511%0.114CC..SBendtrans-91.4149.6176.8-69.9-31.9000110.9S192 S194 K354 Q356S192-D196 WeakPolarHBondContact CB-O 3.25Å; S192-D196 PolarHBondContact OG-O 3.26Å; S194-D196 PolarHBondContact O-N 3.4Å; S194-D196 PolarHBondContact OG-N 3.29Å; D196-K354 VanDerWaalsContact OD1-CB 3.26Å; D196-K354 WeakPolarHBondContact OD1-CB 3.25Å; D196-K354 PolarHBondContact OD1-N 3.19Å; D196-Q356 HydrophobicContact CB-CG 4.12Å; D196-Q356 PolarHBondContact OD2-NE2 3.3Å; D196-Q356 VanDerWaalsContact OD2-NE2 3.14Å
197Y98Very high94.2Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-81.8154.5172.2-60.2-65.4000111.9C348 S353 K354 V355 Q356 F389 P391 R393 L417Y197-C348 HydrophobicContact CD2-CB 3.91Å; Y197-C348 HydrophobicContact CE2-CB 4.28Å; Y197-S353 VanDerWaalsContact CE2-CB 3.41Å; Y197-K354 PolarHBondContact N-O 3.28Å; Y197-V355 CarbonylContact O-C 3.49Å; Y197-V355 WeakPolarHBondContact O-CA 3.3Å; Y197-Q356 PolarHBondContact O-N 3.32Å; Y197-F389 HydrophobicContact CG-CE2 4.16Å; Y197-F389 HydrophobicContact CG-CZ 4.32Å; Y197-P391 HydrophobicContact CD1-CB 4.33Å; Y197-P391 HydrophobicContact CE1-CB 3.98Å; Y197-R393 HydrophobicContact CD1-CB 4.21Å; Y197-R393 HydrophobicContact CE1-CB 4.07Å; Y197-R393 HydrophobicContact CE1-CG 4Å; Y197-L417 HydrophobicContact CD2-CD1 4.13Å; Y197-L417 HydrophobicContact CE1-CD1 4.24Å; Y197-L417 HydrophobicContact CE2-CD1 3.28Å; Y197-L417 VanDerWaalsContact OH-CD1 3.31Å; Y197-L417 WeakPolarHBondContact OH-CD1 3.4Å
198L97Very high94.1Very high11 Ų1126.1 Ų26.16%0.05813%0.133CC..EExtended strand (participates in β ladder)trans-103134.6169.3-56.4-177.6000109.3F200 Q356 F389L198-F200 HydrophobicContact CB-CE2 3.74Å; L198-F200 HydrophobicContact CB-CZ 3.68Å; L198-F200 HydrophobicContact CD1-CZ 3.94Å; L198-F200 HydrophobicContact CG-CZ 4.45Å; L198-Q356 HydrophobicContact CD2-CB 3.87Å; L198-Q356 HydrophobicContact CD2-CG 4.43Å; L198-F389 WeakPolarHBondContact O-CD2 3.38Å
199A97.7Very high94.2Very high0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-131.2132.717200000110W341 L344 V355 Q356 K357 R358 I387 G388 F389A199-W341 HydrophobicContact CB-CH2 3.6Å; A199-W341 HydrophobicContact CB-CZ3 3.71Å; A199-L344 HydrophobicContact CB-CD2 3.9Å; A199-V355 HydrophobicContact CB-CG1 3.35Å; A199-Q356 PolarHBondContact N-O 3.09Å; A199-K357 CarbonylContact O-C 3.54Å; A199-K357 WeakPolarHBondContact O-CA 3.27Å; A199-R358 PolarHBondContact O-N 2.98Å; A199-I387 HydrophobicContact CB-CG2 3.99Å; A199-G388 CarbonylContact C-O 3.57Å; A199-G388 WeakPolarHBondContact CA-O 3.39Å; A199-F389 HydrophobicContact CB-CD2 4.02Å
200F95.8Very high94.3Very high5 Ų527.2 Ų27.22%0.02214%0.139CC..EExtended strand (participates in β ladder)trans-111.9114-168.9-55.6-86000111.1I190 L198 R358 F360 I387 G388I190-F200 HydrophobicContact CB-CE2 4.29Å; I190-F200 HydrophobicContact CB-CZ 4.09Å; I190-F200 HydrophobicContact CD1-CZ 4.38Å; I190-F200 HydrophobicContact CG1-CE2 4.43Å; I190-F200 HydrophobicContact CG1-CZ 4.22Å; L198-F200 HydrophobicContact CB-CE2 3.74Å; L198-F200 HydrophobicContact CB-CZ 3.68Å; L198-F200 HydrophobicContact CD1-CZ 3.94Å; L198-F200 HydrophobicContact CG-CZ 4.45Å; F200-R358 WeakPolarHBondContact CA-O 3.3Å; F200-R358 HydrophobicContact CD1-CB 3.75Å; F200-R358 HydrophobicContact CE1-CB 3.78Å; F200-F360 HydrophobicContact CB-CB 3.88Å; F200-F360 HydrophobicContact CB-CD2 3.98Å; F200-F360 HydrophobicContact CB-CG 4.43Å; F200-F360 VanDerWaalsContact CD1-CA 3.44Å; F200-F360 HydrophobicContact CD1-CB 3.87Å; F200-F360 AromaticContact CD1-CD2 3.87Å; F200-F360 HydrophobicContact CD1-CD2 3.87Å; F200-F360 HydrophobicContact CD1-CG 4.25Å; F200-F360 AromaticContact CD2-CD2 3.56Å; F200-F360 HydrophobicContact CD2-CD2 3.56Å; F200-F360 HydrophobicContact CD2-CE2 4.16Å; F200-F360 HydrophobicContact CE1-CD2 4.17Å; F200-F360 AromaticContact CE2-CD2 3.95Å; F200-F360 HydrophobicContact CE2-CD2 3.95Å; F200-F360 HydrophobicContact CE2-CE2 4.25Å; F200-F360 HydrophobicContact CG-CB 3.96Å; F200-F360 AromaticContact CG-CD2 3.52Å; F200-F360 HydrophobicContact CG-CD2 3.52Å; F200-F360 HydrophobicContact CG-CG 4.19Å; F200-F360 HydrophobicContact CZ-CD2 4.21Å; F200-I387 CarbonylContact O-C 3.57Å; F200-I387 WeakPolarHBondContact O-CA 3.41Å; F200-G388 WeakPolarHBondContact CD2-O 3.47Å; F200-G388 PolarHBondContact N-O 2.91Å; F200-G388 PolarHBondContact O-N 3.23Å
201Y93.5Very high94.4Very high32 Ų3226.1 Ų26.113%0.12513%0.133CC..EExtended strand (participates in β ladder)trans-89.8-16.5-175.358.4-92.5000113.6V330 T332 P333 K357 R358 I359 R370Y201-V330 HydrophobicContact CD2-CG1 4.49Å; Y201-V330 HydrophobicContact CE2-CG1 3.67Å; Y201-T332 HydrophobicContact CE1-CG2 4.47Å; Y201-P333 HydrophobicContact CD2-CG 4.45Å; Y201-P333 VanDerWaalsContact CG-CD 3.48Å; Y201-P333 HydrophobicContact CG-CG 3.97Å; Y201-K357 HydrophobicContact CD1-CB 4.03Å; Y201-K357 HydrophobicContact CE1-CB 4.12Å; Y201-R358 WeakPolarHBondContact CD1-O 3.31Å; Y201-R358 VanDerWaalsContact CE1-C 3.47Å; Y201-R358 WeakPolarHBondContact CE1-O 3.27Å; Y201-R358 PolarHBondContact N-O 3Å; Y201-R358 VanDerWaalsContact N-O 3.16Å; Y201-I359 HydrophobicContact CE1-CG1 4.31Å; Y201-I359 HydrophobicContact CE2-CD1 4.49Å; Y201-I359 HydrophobicContact CE2-CG1 3.86Å; Y201-I359 WeakPolarHBondContact OH-CG1 3.47Å; Y201-R370 PolarHBondContact O-NE 3.49Å
202D91.4Very high94.5Very high8 Ų827.6 Ų27.64%0.04314%0.14CC..EExtended strand (participates in β ladder)trans-155.9177.9178.6-153.5-21.4000108.2P293 I359 F360D202-P293 HydrophobicContact CB-CG 4.2Å; D202-P293 WeakPolarHBondContact OD2-CB 3.17Å; D202-I359 HydrophobicContact CB-CG1 4.47Å; D202-I359 CarbonylContact O-C 3.54Å; D202-I359 WeakPolarHBondContact O-CA 3.32Å; D202-F360 PolarHBondContact O-N 3.36Å
203E90Very high94.5Very high3 Ų327.3 Ų27.31%0.01414%0.138CC..EExtended strand (participates in β ladder)trans-144.2158.2-176.665.4-168.39200112.9F360 G363 T364 R367 R370E203-F360 WeakPolarHBondContact CA-O 3.01Å; E203-F360 HydrophobicContact CB-CB 3.73Å; E203-G363 VanDerWaalsContact OE2-C 3.25Å; E203-G363 WeakPolarHBondContact OE2-CA 3.31Å; E203-T364 PolarHBondContact OE2-N 2.77Å; E203-R367 HydrophobicContact CG-CB 4.46Å; E203-R367 WeakPolarHBondContact OE1-CB 3.16Å; E203-R367 PolarHBondContact OE1-N 3.49Å; E203-R367 IonicContact OE2-NH1 3.08Å; E203-R370 IonicContact OE1-CZ 3.4Å; E203-R370 IonicContact OE1-NH1 3.92Å; E203-R370 PolarHBondContact OE1-NH1 3.33Å
204R89.6Confident94.6Very high20 Ų2025.4 Ų25.48%0.07512%0.12CC..  trans-76.9149.3170.9-66.4-165.3-60.31688.1110.5L259 G260 I262 T264 R290 L291 I359 F360 P361 G362R204-L259 VanDerWaalsContact CD-O 3.26Å; R204-L259 WeakPolarHBondContact CD-O 3.42Å; R204-L259 PolarHBondContact NE-O 3.03Å; R204-L259 PolarHBondContact NH1-O 2.9Å; R204-G260 WeakPolarHBondContact CG-O 3.33Å; R204-I262 VanDerWaalsContact CD-O 3.31Å; R204-I262 WeakPolarHBondContact CD-O 3.44Å; R204-T264 VanDerWaalsContact NH1-CG2 3.27Å; R204-T264 PolarHBondContact NH1-OG1 2.86Å; R204-R290 HydrophobicContact CB-CB 4.2Å; R204-L291 WeakPolarHBondContact CA-O 3.34Å; R204-I359 HydrophobicContact CG-CG2 4.41Å; R204-F360 PolarHBondContact N-O 3.08Å; R204-P361 PolarHBondContact NE-O 3.44Å; R204-P361 PolarHBondContact NH2-O 3.02Å; R204-G362 PolarHBondContact N-O 3.45Å; R204-G362 VanDerWaalsContact O-O 3.04Å
205R83.8Confident94.7Very high14 Ų1423.9 Ų23.95%0.05311%0.112CC..EExtended strand (participates in β ladder)trans-106.5128.5-175.1-54-175.3-161.5127.921.6111V207 R290 L291 P293 V324 L326R205-V207 PolarHBondContact O-N 3.08Å; R205-R290 CarbonylContact O-C 3.46Å; R205-R290 WeakPolarHBondContact O-CA 3.43Å; R205-L291 PolarHBondContact N-O 2.96Å; R205-L291 PolarHBondContact O-N 3.08Å; R205-P293 VanDerWaalsContact NH2-CB 3.34Å; R205-V324 WeakPolarHBondContact CD-O 3.34Å; R205-V324 PolarHBondContact NE-O 3.17Å; R205-L326 VanDerWaalsContact NH2-CB 3.27Å
206P87.2Confident94.7Very high16 Ų1621.7 Ų21.710%0.10410%0.104CC..EExtended strand (participates in β ladder)trans-67115.5167.726.6-30.3000109.8W208 N321 G323P206-W208 HydrophobicContact CB-CZ2 4.42Å; P206-N321 PolarHBondContact O-ND2 2.76Å; P206-G323 PolarHBondContact O-N 2.72Å
207V91.1Very high94.7Very high1 Ų122.9 Ų22.91%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-114.5111.8168.7179.60000106.7R205 I209 I289 L291 L297 F319 N321R205-V207 PolarHBondContact O-N 3.08Å; V207-I209 HydrophobicContact CG1-CG2 4.08Å; V207-I289 HydrophobicContact CB-CB 4.15Å; V207-I289 HydrophobicContact CB-CG2 4.45Å; V207-I289 PolarHBondContact N-O 2.89Å; V207-I289 WeakPolarHBondContact O-CA 3.23Å; V207-I289 VanDerWaalsContact O-CB 3.27Å; V207-I289 WeakPolarHBondContact O-CB 3Å; V207-I289 PolarHBondContact O-N 3.37Å; V207-L291 HydrophobicContact CG2-CB 4.08Å; V207-L291 HydrophobicContact CG2-CD2 4.34Å; V207-L297 HydrophobicContact CG1-CD1 4.3Å; V207-L297 HydrophobicContact CG2-CD1 4.19Å; V207-F319 HydrophobicContact CG1-CD1 4.27Å; V207-F319 HydrophobicContact CG1-CE1 4.36Å; V207-N321 CarbonylContact C-O 3.58Å; V207-N321 VanDerWaalsContact CA-O 3.29Å; V207-N321 WeakPolarHBondContact CA-O 3.32Å
208W94.2Very high94.5Very high107 Ų10724.2 Ų24.241%0.40513%0.132SC..EExtended strand (participates in β ladder)trans-109.5122.7179.2-59.1-22.4000108.6P206 D288 V320 N321P206-W208 HydrophobicContact CB-CZ2 4.42Å; W208-D288 PolarHBondContact NE1-OD2 3.39Å; W208-V320 HydrophobicContact CB-CB 4.13Å; W208-V320 HydrophobicContact CE3-CG1 4.4Å; W208-V320 PolarHBondContact O-N 3.24Å; W208-N321 HydrophobicContact CB-CB 4.02Å; W208-N321 HydrophobicContact CD2-CB 3.93Å; W208-N321 HydrophobicContact CE3-CB 3.72Å; W208-N321 HydrophobicContact CG-CB 4.08Å; W208-N321 HydrophobicContact CZ3-CB 4.46Å; W208-N321 PolarHBondContact N-O 3.45Å; W208-N321 PolarHBondContact O-N 2.83Å
209I96.8Very high94.4Very high1 Ų129 Ų291%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-125.7137.5-179.863175.9000110.4V207 V211 S286 F287 I289 L304 E318 F319V207-I209 HydrophobicContact CG1-CG2 4.08Å; I209-V211 HydrophobicContact CD1-CG2 3.88Å; I209-V211 HydrophobicContact CG1-CG2 4.12Å; I209-S286 CarbonylContact O-C 3.57Å; I209-S286 VanDerWaalsContact O-CA 3.31Å; I209-S286 WeakPolarHBondContact O-CA 3.37Å; I209-F287 HydrophobicContact CD1-CD2 4.45Å; I209-F287 HydrophobicContact CG1-CB 3.96Å; I209-F287 HydrophobicContact CG1-CD2 4.23Å; I209-F287 PolarHBondContact N-O 2.83Å; I209-F287 PolarHBondContact O-N 2.98Å; I209-I289 HydrophobicContact CD1-CD1 3.66Å; I209-I289 HydrophobicContact CG1-CD1 3.88Å; I209-L304 HydrophobicContact CD1-CD1 4.01Å; I209-L304 HydrophobicContact CD1-CD2 3.87Å; I209-E318 CarbonylContact C-O 3.44Å; I209-E318 VanDerWaalsContact CA-O 3.31Å; I209-E318 WeakPolarHBondContact CA-O 3.16Å; I209-F319 HydrophobicContact CG2-CD1 3.42Å; I209-F319 VanDerWaalsContact CG2-CD1 3.42Å; I209-F319 HydrophobicContact CG2-CE1 3.52Å; I209-F319 HydrophobicContact CG2-CG 4.06Å; I209-F319 HydrophobicContact CG2-CZ 4.21Å
210N98.3Very high94.1Very high29 Ų2931.2 Ų31.216%0.15518%0.177CC..EExtended strand (participates in β ladder)trans-98.8130.6158.3-56.7-37.8000107.6T284 S286 E318 V320N210-T284 HydrophobicContact CB-CG2 4.19Å; N210-S286 VanDerWaalsContact OD1-CB 3.3Å; N210-S286 WeakPolarHBondContact OD1-CB 3.36Å; N210-S286 PolarHBondContact OD1-OG 3.23Å; N210-E318 HydrophobicContact CB-CB 4.18Å; N210-E318 PolarHBondContact N-O 3.33Å; N210-E318 PolarHBondContact ND2-OE2 3.42Å; N210-E318 PolarHBondContact O-N 2.95Å; N210-V320 VanDerWaalsContact ND2-CG2 3.35Å; N210-V320 WeakPolarHBondContact ND2-CG2 3.43Å
211V98.5Very high94.1Very high0 Ų038.4 Ų38.40%022%0.215CC..EExtended strand (participates in β ladder)trans-111.3117.2179-168.90000107.9I209 F213 F235 T284 A285 F287 I315 E316 F317I209-V211 HydrophobicContact CD1-CG2 3.88Å; I209-V211 HydrophobicContact CG1-CG2 4.12Å; V211-F213 HydrophobicContact CB-CE2 3.83Å; V211-F213 HydrophobicContact CB-CZ 3.78Å; V211-F213 HydrophobicContact CG1-CD2 4.47Å; V211-F213 HydrophobicContact CG1-CE1 3.74Å; V211-F213 HydrophobicContact CG1-CE2 3.72Å; V211-F213 HydrophobicContact CG1-CZ 3.29Å; V211-F213 WeakPolarHBondContact O-CD2 3.31Å; V211-F213 VanDerWaalsContact O-CE2 3.32Å; V211-F213 WeakPolarHBondContact O-CE2 3.46Å; V211-F235 HydrophobicContact CG1-CE1 4.25Å; V211-F235 HydrophobicContact CG1-CZ 4.26Å; V211-F235 HydrophobicContact CG2-CE1 4.15Å; V211-F235 HydrophobicContact CG2-CZ 4.23Å; V211-T284 VanDerWaalsContact O-CA 3.3Å; V211-T284 WeakPolarHBondContact O-CA 3.37Å; V211-A285 PolarHBondContact N-O 3.37Å; V211-A285 PolarHBondContact O-N 3.34Å; V211-F287 HydrophobicContact CB-CE2 4.43Å; V211-F287 HydrophobicContact CG2-CD2 3.86Å; V211-F287 HydrophobicContact CG2-CE2 3.83Å; V211-I315 HydrophobicContact CG1-CG2 3.38Å; V211-E316 WeakPolarHBondContact CA-O 3.28Å; V211-F317 HydrophobicContact CB-CD1 4.44Å; V211-F317 HydrophobicContact CB-CE1 4.47Å; V211-F317 HydrophobicContact CG1-CD1 4.02Å; V211-F317 HydrophobicContact CG1-CE1 3.73Å; V211-F317 HydrophobicContact CG2-CD1 3.91Å; V211-F317 HydrophobicContact CG2-CE1 3.97Å
212H98.5Very high94Very high32 Ų3239.7 Ų39.715%0.14823%0.232CC..EExtended strand (participates in β ladder)trans-100.2119.5-179.5-55.4-72.7000109.6T284 I315 E316 E318H212-T284 PolarHBondContact ND1-OG1 2.7Å; H212-I315 CarbonylContact O-C 3.57Å; H212-I315 VanDerWaalsContact O-CA 3.24Å; H212-I315 WeakPolarHBondContact O-CA 3.48Å; H212-E316 HydrophobicContact CB-CB 4.28Å; H212-E316 PolarHBondContact N-O 3.4Å; H212-E316 PolarHBondContact O-N 3.49Å; H212-E318 IonicContact NE2-OE2 3.09Å
213F98.6Very high94.2Very high0 Ų047.9 Ų47.90%028%0.275CS..EExtended strand (participates in β ladder)trans-104.1116.4-179.8-54.9-88.7000109V211 A228 K231 F232 F235 Q282 L283 A285 I315V211-F213 HydrophobicContact CB-CE2 3.83Å; V211-F213 HydrophobicContact CB-CZ 3.78Å; V211-F213 HydrophobicContact CG1-CD2 4.47Å; V211-F213 HydrophobicContact CG1-CE1 3.74Å; V211-F213 HydrophobicContact CG1-CE2 3.72Å; V211-F213 HydrophobicContact CG1-CZ 3.29Å; V211-F213 WeakPolarHBondContact O-CD2 3.31Å; V211-F213 VanDerWaalsContact O-CE2 3.32Å; V211-F213 WeakPolarHBondContact O-CE2 3.46Å; F213-A228 HydrophobicContact CB-CB 4.37Å; F213-A228 VanDerWaalsContact O-CB 3.29Å; F213-A228 WeakPolarHBondContact O-CB 3.41Å; F213-K231 HydrophobicContact CD1-CB 4.18Å; F213-F232 HydrophobicContact CD1-CB 4.21Å; F213-F232 HydrophobicContact CD2-CB 4.05Å; F213-F232 HydrophobicContact CD2-CD2 4.14Å; F213-F232 HydrophobicContact CE1-CB 4.46Å; F213-F232 HydrophobicContact CE2-CB 4.29Å; F213-F232 AromaticContact CE2-CD2 3.63Å; F213-F232 HydrophobicContact CE2-CD2 3.63Å; F213-F232 HydrophobicContact CE2-CG 4.41Å; F213-F232 HydrophobicContact CG-CB 4.02Å; F213-F232 HydrophobicContact CZ-CB 4.48Å; F213-F232 AromaticContact CZ-CD2 3.88Å; F213-F232 HydrophobicContact CZ-CD2 3.88Å; F213-F235 HydrophobicContact CE1-CB 3.53Å; F213-F235 AromaticContact CE1-CD1 3.87Å; F213-F235 HydrophobicContact CE1-CD1 3.87Å; F213-F235 HydrophobicContact CE1-CD2 4.36Å; F213-F235 AromaticContact CE1-CG 3.66Å; F213-F235 HydrophobicContact CE1-CG 3.66Å; F213-F235 HydrophobicContact CZ-CB 4.11Å; F213-F235 AromaticContact CZ-CD1 3.62Å; F213-F235 HydrophobicContact CZ-CD1 3.62Å; F213-F235 HydrophobicContact CZ-CE1 4.26Å; F213-F235 AromaticContact CZ-CG 3.93Å; F213-F235 HydrophobicContact CZ-CG 3.93Å; F213-Q282 VanDerWaalsContact O-CA 3.25Å; F213-Q282 WeakPolarHBondContact O-CA 3.49Å; F213-L283 HydrophobicContact CB-CB 4.46Å; F213-L283 HydrophobicContact CD2-CB 4.42Å; F213-L283 PolarHBondContact N-O 3.45Å; F213-L283 PolarHBondContact O-N 2.73Å; F213-A285 HydrophobicContact CE2-CB 3.99Å; F213-I315 HydrophobicContact CD1-CD1 3.74Å; F213-I315 HydrophobicContact CD1-CG1 3.7Å; F213-I315 HydrophobicContact CD1-CG2 4.22Å; F213-I315 HydrophobicContact CE1-CD1 3.91Å; F213-I315 HydrophobicContact CE1-CG1 4.2Å; F213-I315 HydrophobicContact CE1-CG2 4.11Å
214H98.3Very high94.5Very high51 Ų5149.7 Ų49.724%0.23628%0.284CS..EExtended strand (participates in β ladder)trans-103.2135.8176.6-59.6-86000110.5K231 E281 Q282 Q314H214-K231 VanDerWaalsContact O-CD 3.31Å; H214-K231 WeakPolarHBondContact O-CD 3.05Å; H214-K231 WeakPolarHBondContact O-CE 3.34Å; H214-K231 PolarHBondContact O-NZ 3.48Å; H214-E281 WeakPolarHBondContact CA-O 3.38Å; H214-Q282 VanDerWaalsContact CE1-CD 3.48Å; H214-Q282 PolarHBondContact CE1-NE2 3.38Å; H214-Q314 HydrophobicContact CB-CB 4.15Å; H214-Q314 PolarHBondContact N-O 3.47Å
215G97.2Very high94.7Very high14 Ų1455.6 Ų55.614%0.14431%0.313CS..  trans-159.5-179.1178.200000113.3A217 N226 E281G215-A217 PolarHBondContact O-N 2.61Å; G215-N226 CarbonylContact C-O 3.58Å; G215-N226 WeakPolarHBondContact CA-O 3.43Å; G215-E281 PolarHBondContact N-O 3.06Å; G215-E281 WeakPolarHBondContact O-CA 3.49Å
216N97.3Very high95.3Very high84 Ų8458.8 Ų58.845%0.44933%0.33SS..  trans-68.8126.7-176.7-67-31.5000111.1I224 E225 N226N216-I224 HydrophobicContact CB-CG2 3.43Å; N216-I224 VanDerWaalsContact CB-CG2 3.43Å; N216-E225 PolarHBondContact ND2-O 3.48Å; N216-N226 PolarHBondContact N-O 2.89Å
217A96Very high95.8Very high53 Ų5358.8 Ų58.844%0.43833%0.33SS..  trans-92.7162.517200000112G215 V279 E281G215-A217 PolarHBondContact O-N 2.61Å; A217-V279 WeakPolarHBondContact CA-O 3.43Å; A217-V279 VanDerWaalsContact CB-O 3.3Å; A217-V279 WeakPolarHBondContact CB-O 3.43Å; A217-E281 HydrophobicContact CB-CB 3.88Å
218G94.4Very high96.1Very high28 Ų2858.7 Ų58.729%0.28933%0.33SS..EExtended strand (participates in β ladder)trans165.5-167.4172.300000113I224 V279G218-I224 VanDerWaalsContact CA-CD1 3.44Å; G218-V279 PolarHBondContact N-O 3.22Å; G218-V279 PolarHBondContact O-N 2.96Å
219H93.9Very high96.2Very high110 Ų11055.8 Ų55.851%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-72.4132.1179.2-163.4-74.7000110.5L221 A222H219-L221 VanDerWaalsContact ND1-CB 3.29Å; H219-L221 WeakPolarHBondContact ND1-CB 3.35Å; H219-L221 PolarHBondContact ND1-N 3.36Å; H219-L221 PolarHBondContact O-N 3Å; H219-A222 PolarHBondContact O-N 2.96Å
220G92.7Very high96.3Very high48 Ų4859.1 Ų59.150%0.49534%0.344SS..THydrogen-bonded Turntrans-64.85.5-179.800000116N277G220-N277 PolarHBondContact N-O 3.07Å
221L94.3Very high96.3Very high156 Ų15657.9 Ų57.982%0.81734%0.337SS*.THydrogen-bonded Turntrans-83.8-26.6171.4-177.172.2000111.1H219H219-L221 VanDerWaalsContact ND1-CB 3.29Å; H219-L221 WeakPolarHBondContact ND1-CB 3.35Å; H219-L221 PolarHBondContact ND1-N 3.36Å; H219-L221 PolarHBondContact O-N 3Å
222A93Very high96.2Very high58 Ų5859.1 Ų59.148%0.47934%0.343SS..SBendtrans-87.9146.4-176.700000111.4H219 I224H219-A222 PolarHBondContact O-N 2.96Å; A222-I224 VanDerWaalsContact C-N 3.35Å; A222-I224 HydrophobicContact CB-CG1 3.91Å; A222-I224 PolarHBondContact O-N 3Å; A222-I224 VanDerWaalsContact O-N 3.16Å
223L94.9Very high96.2Very high180 Ų18063.6 Ų63.694%0.94236%0.358SS*.  trans-82.684.1166.6-66.5176.1000108.7
224I95.3Very high96.2Very high41 Ų4165.5 Ų65.521%0.2137%0.368CS..  trans-80.4130.4179.8-53.2179.9000108.6N216 G218 A222 T227 V279N216-I224 HydrophobicContact CB-CG2 3.43Å; N216-I224 VanDerWaalsContact CB-CG2 3.43Å; G218-I224 VanDerWaalsContact CA-CD1 3.44Å; A222-I224 VanDerWaalsContact C-N 3.35Å; A222-I224 HydrophobicContact CB-CG1 3.91Å; A222-I224 PolarHBondContact O-N 3Å; A222-I224 VanDerWaalsContact O-N 3.16Å; I224-T227 HydrophobicContact CB-CG2 3.73Å; I224-T227 HydrophobicContact CG2-CG2 3.77Å; I224-T227 WeakPolarHBondContact O-CG2 3.44Å; I224-V279 HydrophobicContact CD1-CB 4.05Å; I224-V279 HydrophobicContact CD1-CG1 4.39Å; I224-V279 HydrophobicContact CD1-CG2 3.92Å
225E94.7Very high96.2Very high145 Ų14563 Ų6368%0.67836%0.357SS*.SBendtrans-86.9155.6174.7-63-178.6173.500111.3N216 T227N216-E225 PolarHBondContact ND2-O 3.48Å; E225-T227 VanDerWaalsContact C-N 3.28Å; E225-T227 PolarHBondContact O-N 3.06Å
226N95.5Very high96.3Very high80 Ų8064.2 Ų64.243%0.42836%0.359SS..SBendtrans58.239.3177-61.4-60.1000112.8G215 N216 E230G215-N226 CarbonylContact C-O 3.58Å; G215-N226 WeakPolarHBondContact CA-O 3.43Å; N216-N226 PolarHBondContact N-O 2.89Å; N226-E230 PolarHBondContact N-OE2 3.39Å
227T97.6Very high96.3Very high16 Ų1664.6 Ų64.610%0.09836%0.361CS..  trans-75.3155.3177.862.30000111.2I224 E225 A229 E230 K231 V279I224-T227 HydrophobicContact CB-CG2 3.73Å; I224-T227 HydrophobicContact CG2-CG2 3.77Å; I224-T227 WeakPolarHBondContact O-CG2 3.44Å; E225-T227 VanDerWaalsContact C-N 3.28Å; E225-T227 PolarHBondContact O-N 3.06Å; T227-A229 PolarHBondContact O-N 3Å; T227-E230 PolarHBondContact O-N 2.74Å; T227-E230 VanDerWaalsContact O-N 3.1Å; T227-E230 WeakPolarHBondContact OG1-CB 3.34Å; T227-E230 PolarHBondContact OG1-N 2.74Å; T227-E230 VanDerWaalsContact OG1-N 3.11Å; T227-K231 WeakPolarHBondContact O-CG 3.31Å; T227-K231 PolarHBondContact O-N 3.06Å; T227-K231 VanDerWaalsContact O-N 3.15Å; T227-V279 HydrophobicContact CG2-CG1 3.71Å
228A97.8Very high96.4Very high0 Ų064.9 Ų64.90%035%0.354CS..Hα-helixtrans-55.2-36.6174.300000112F213 F232 L283F213-A228 HydrophobicContact CB-CB 4.37Å; F213-A228 VanDerWaalsContact O-CB 3.29Å; F213-A228 WeakPolarHBondContact O-CB 3.41Å; A228-F232 VanDerWaalsContact O-CB 3.29Å; A228-F232 WeakPolarHBondContact O-CB 3.34Å; A228-F232 PolarHBondContact O-N 3.17Å; A228-L283 HydrophobicContact CB-CB 4.29Å; A228-L283 HydrophobicContact CB-CD1 4.44Å; A228-L283 HydrophobicContact CB-CG 3.96Å
229A97.1Very high96.6Very high45 Ų4563.6 Ų63.637%0.37234%0.34SS..Hα-helixtrans-67.2-39.517700000113.6T227 R233 L283T227-A229 PolarHBondContact O-N 3Å; A229-R233 WeakPolarHBondContact O-CB 3.42Å; A229-R233 PolarHBondContact O-N 3.26Å; A229-L283 HydrophobicContact CB-CD1 3.96Å
230E97.4Very high96.8Very high72 Ų7261.9 Ų61.934%0.33633%0.33SS..Hα-helixtrans-64.4-45.5176.6-179.7171.5-153.800111.4N226 T227 R233 I234N226-E230 PolarHBondContact N-OE2 3.39Å; T227-E230 PolarHBondContact O-N 2.74Å; T227-E230 VanDerWaalsContact O-N 3.1Å; T227-E230 WeakPolarHBondContact OG1-CB 3.34Å; T227-E230 PolarHBondContact OG1-N 2.74Å; T227-E230 VanDerWaalsContact OG1-N 3.11Å; E230-R233 WeakPolarHBondContact O-CB 3.35Å; E230-R233 PolarHBondContact O-N 3.28Å; E230-I234 HydrophobicContact CG-CD1 4.11Å; E230-I234 WeakPolarHBondContact O-CG1 3.42Å; E230-I234 PolarHBondContact O-N 2.79Å
231K98.4Very high97.1Very high2 Ų262.2 Ų62.21%0.00932%0.324CS..Hα-helixtrans-63.5-45.8176.8-59.3-171.7179.6-177.90111.7F213 H214 T227 R233 I234 F235 A311 G313 I315F213-K231 HydrophobicContact CD1-CB 4.18Å; H214-K231 VanDerWaalsContact O-CD 3.31Å; H214-K231 WeakPolarHBondContact O-CD 3.05Å; H214-K231 WeakPolarHBondContact O-CE 3.34Å; H214-K231 PolarHBondContact O-NZ 3.48Å; T227-K231 WeakPolarHBondContact O-CG 3.31Å; T227-K231 PolarHBondContact O-N 3.06Å; T227-K231 VanDerWaalsContact O-N 3.15Å; K231-R233 VanDerWaalsContact C-N 3.34Å; K231-R233 PolarHBondContact O-N 3.05Å; K231-I234 PolarHBondContact O-N 3Å; K231-F235 WeakPolarHBondContact O-CB 3.3Å; K231-F235 PolarHBondContact O-N 3.44Å; K231-A311 WeakPolarHBondContact CG-O 3.36Å; K231-G313 WeakPolarHBondContact CD-O 3.4Å; K231-G313 WeakPolarHBondContact CE-O 3.49Å; K231-G313 PolarHBondContact NZ-O 2.92Å; K231-I315 HydrophobicContact CB-CD1 4.36Å
232F98.3Very high97.3Very high27 Ų2755.2 Ų55.212%0.11829%0.287CS..Hα-helixtrans-55.1-48.8173.6168.8-116000111.4F213 A228 I234 F235 L236 M267 I270 L283 A285F213-F232 HydrophobicContact CD1-CB 4.21Å; F213-F232 HydrophobicContact CD2-CB 4.05Å; F213-F232 HydrophobicContact CD2-CD2 4.14Å; F213-F232 HydrophobicContact CE1-CB 4.46Å; F213-F232 HydrophobicContact CE2-CB 4.29Å; F213-F232 AromaticContact CE2-CD2 3.63Å; F213-F232 HydrophobicContact CE2-CD2 3.63Å; F213-F232 HydrophobicContact CE2-CG 4.41Å; F213-F232 HydrophobicContact CG-CB 4.02Å; F213-F232 HydrophobicContact CZ-CB 4.48Å; F213-F232 AromaticContact CZ-CD2 3.88Å; F213-F232 HydrophobicContact CZ-CD2 3.88Å; A228-F232 VanDerWaalsContact O-CB 3.29Å; A228-F232 WeakPolarHBondContact O-CB 3.34Å; A228-F232 PolarHBondContact O-N 3.17Å; F232-I234 PolarHBondContact O-N 3.12Å; F232-F235 PolarHBondContact O-N 3.29Å; F232-L236 HydrophobicContact CE1-CD2 4.22Å; F232-L236 HydrophobicContact CE2-CB 4.32Å; F232-L236 HydrophobicContact CE2-CD1 4.1Å; F232-L236 HydrophobicContact CE2-CD2 4.33Å; F232-L236 HydrophobicContact CE2-CG 4.5Å; F232-L236 HydrophobicContact CZ-CD1 4.26Å; F232-L236 HydrophobicContact CZ-CD2 3.79Å; F232-L236 HydrophobicContact CZ-CG 4.44Å; F232-L236 WeakPolarHBondContact O-CB 3.28Å; F232-L236 PolarHBondContact O-N 3.29Å; F232-M267 HydrophobicContact CE2-SD 4.06Å; F232-M267 HydrophobicContact CZ-SD 3.92Å; F232-I270 HydrophobicContact CD1-CD1 4.47Å; F232-I270 HydrophobicContact CE1-CD1 3.61Å; F232-I270 HydrophobicContact CE2-CD1 4.35Å; F232-I270 HydrophobicContact CZ-CD1 3.54Å; F232-L283 HydrophobicContact CB-CD1 4.16Å; F232-L283 HydrophobicContact CD1-CD1 4.36Å; F232-L283 HydrophobicContact CG-CD1 4.45Å; F232-A285 HydrophobicContact CD2-CB 4.1Å; F232-A285 HydrophobicContact CE2-CB 3.61Å
233R98Very high97.5Very high126 Ų12655.8 Ų55.848%0.47528%0.277SS..Hα-helixtrans-57.9-46.3178.4-177.8-168.565.478.40.8112.1A229 E230 K231 N237A229-R233 WeakPolarHBondContact O-CB 3.42Å; A229-R233 PolarHBondContact O-N 3.26Å; E230-R233 WeakPolarHBondContact O-CB 3.35Å; E230-R233 PolarHBondContact O-N 3.28Å; K231-R233 VanDerWaalsContact C-N 3.34Å; K231-R233 PolarHBondContact O-N 3.05Å; R233-N237 PolarHBondContact O-N 3.4Å; R233-N237 VanDerWaalsContact O-N 3.1Å; R233-N237 PolarHBondContact O-OD1 2.88Å
234I98.3Very high97.7Very high39 Ų3950.8 Ų50.820%0.225%0.251CS..Hα-helixtrans-67.6-45.7-178.9-63.4165.1000110.8E230 K231 F232 L236 N237 H238 A311E230-I234 HydrophobicContact CG-CD1 4.11Å; E230-I234 WeakPolarHBondContact O-CG1 3.42Å; E230-I234 PolarHBondContact O-N 2.79Å; K231-I234 PolarHBondContact O-N 3Å; F232-I234 PolarHBondContact O-N 3.12Å; I234-L236 PolarHBondContact O-N 2.88Å; I234-N237 WeakPolarHBondContact O-CB 3.31Å; I234-N237 PolarHBondContact O-N 2.79Å; I234-H238 PolarHBondContact O-CD2 2.7Å; I234-H238 PolarHBondContact O-N 2.98Å; I234-A311 HydrophobicContact CB-CB 3.98Å; I234-A311 HydrophobicContact CG2-CB 3.91Å
235F98.6Very high97.8Very high0 Ų053.9 Ų53.90%027%0.265CS..Hα-helixtrans-61.2-44.7176.5-179.2-89.6000111.8V211 F213 K231 F232 N237 H238 I239 F287 L304 W307 A311 F317V211-F235 HydrophobicContact CG1-CE1 4.25Å; V211-F235 HydrophobicContact CG1-CZ 4.26Å; V211-F235 HydrophobicContact CG2-CE1 4.15Å; V211-F235 HydrophobicContact CG2-CZ 4.23Å; F213-F235 HydrophobicContact CE1-CB 3.53Å; F213-F235 AromaticContact CE1-CD1 3.87Å; F213-F235 HydrophobicContact CE1-CD1 3.87Å; F213-F235 HydrophobicContact CE1-CD2 4.36Å; F213-F235 AromaticContact CE1-CG 3.66Å; F213-F235 HydrophobicContact CE1-CG 3.66Å; F213-F235 HydrophobicContact CZ-CB 4.11Å; F213-F235 AromaticContact CZ-CD1 3.62Å; F213-F235 HydrophobicContact CZ-CD1 3.62Å; F213-F235 HydrophobicContact CZ-CE1 4.26Å; F213-F235 AromaticContact CZ-CG 3.93Å; F213-F235 HydrophobicContact CZ-CG 3.93Å; K231-F235 WeakPolarHBondContact O-CB 3.3Å; K231-F235 PolarHBondContact O-N 3.44Å; F232-F235 PolarHBondContact O-N 3.29Å; F235-N237 VanDerWaalsContact C-N 3.28Å; F235-N237 PolarHBondContact O-N 3.46Å; F235-H238 PolarHBondContact O-N 2.93Å; F235-H238 VanDerWaalsContact O-N 3.08Å; F235-I239 HydrophobicContact CD1-CG2 4.37Å; F235-I239 HydrophobicContact CE1-CB 4.31Å; F235-I239 HydrophobicContact CE1-CD1 4.04Å; F235-I239 HydrophobicContact CE1-CG2 4.18Å; F235-I239 HydrophobicContact CZ-CD1 4.24Å; F235-I239 PolarHBondContact O-N 3.3Å; F235-F287 HydrophobicContact CE1-CE2 4.06Å; F235-F287 HydrophobicContact CE1-CZ 4.18Å; F235-L304 HydrophobicContact CZ-CD2 4.03Å; F235-W307 HydrophobicContact CD2-CB 3.89Å; F235-W307 HydrophobicContact CE2-CB 3.89Å; F235-W307 HydrophobicContact CE2-CE3 4.4Å; F235-W307 HydrophobicContact CZ-CE3 4.47Å; F235-A311 HydrophobicContact CB-CB 4.2Å; F235-F317 AromaticContact CE2-CE1 3.83Å; F235-F317 HydrophobicContact CE2-CE1 3.83Å; F235-F317 AromaticContact CE2-CZ 3.84Å; F235-F317 HydrophobicContact CE2-CZ 3.84Å; F235-F317 AromaticContact CZ-CE1 3.82Å; F235-F317 HydrophobicContact CZ-CE1 3.82Å; F235-F317 HydrophobicContact CZ-CZ 4.31Å
236L98.2Very high98Very high39 Ų3947.6 Ų47.620%0.20424%0.235CC..Hα-helixtrans-59.2-40.4178.9-168.870.8000111.2F232 I234 H238 I239 Y240 M267 F287F232-L236 HydrophobicContact CE1-CD2 4.22Å; F232-L236 HydrophobicContact CE2-CB 4.32Å; F232-L236 HydrophobicContact CE2-CD1 4.1Å; F232-L236 HydrophobicContact CE2-CD2 4.33Å; F232-L236 HydrophobicContact CE2-CG 4.5Å; F232-L236 HydrophobicContact CZ-CD1 4.26Å; F232-L236 HydrophobicContact CZ-CD2 3.79Å; F232-L236 HydrophobicContact CZ-CG 4.44Å; F232-L236 WeakPolarHBondContact O-CB 3.28Å; F232-L236 PolarHBondContact O-N 3.29Å; I234-L236 PolarHBondContact O-N 2.88Å; L236-H238 VanDerWaalsContact C-N 3.34Å; L236-H238 PolarHBondContact O-N 3.36Å; L236-I239 HydrophobicContact CD1-CG2 4.36Å; L236-I239 WeakPolarHBondContact O-CG2 2.94Å; L236-Y240 HydrophobicContact CD1-CD2 3.63Å; L236-Y240 HydrophobicContact CD1-CE2 3.48Å; L236-Y240 VanDerWaalsContact CD1-CE2 3.48Å; L236-Y240 HydrophobicContact CG-CD2 3.99Å; L236-Y240 HydrophobicContact CG-CE2 4.23Å; L236-Y240 WeakPolarHBondContact O-CB 3.49Å; L236-Y240 PolarHBondContact O-N 3.34Å; L236-M267 HydrophobicContact CD1-SD 4.11Å; L236-F287 HydrophobicContact CD1-CE1 4.1Å; L236-F287 HydrophobicContact CD1-CZ 4.05Å
237N98.4Very high98Very high92 Ų9247.4 Ų47.449%0.49223%0.232SC..Hα-helixtrans-60.3-43175.1-72.3-13.5000112.1R233 I234 F235 S241R233-N237 PolarHBondContact O-N 3.4Å; R233-N237 VanDerWaalsContact O-N 3.1Å; R233-N237 PolarHBondContact O-OD1 2.88Å; I234-N237 WeakPolarHBondContact O-CB 3.31Å; I234-N237 PolarHBondContact O-N 2.79Å; F235-N237 VanDerWaalsContact C-N 3.28Å; F235-N237 PolarHBondContact O-N 3.46Å; N237-S241 VanDerWaalsContact O-CB 3.3Å; N237-S241 WeakPolarHBondContact O-CB 3.41Å; N237-S241 PolarHBondContact O-N 2.93Å
238H98.5Very high98Very high59 Ų5950.9 Ų50.927%0.27325%0.249SC..Hα-helixtrans-66.5-49.1178.9-78.6-59.2000112.5I234 F235 L236 Y240 S241 F242 W307 N310I234-H238 PolarHBondContact O-CD2 2.7Å; I234-H238 PolarHBondContact O-N 2.98Å; F235-H238 PolarHBondContact O-N 2.93Å; F235-H238 VanDerWaalsContact O-N 3.08Å; L236-H238 VanDerWaalsContact C-N 3.34Å; L236-H238 PolarHBondContact O-N 3.36Å; H238-Y240 VanDerWaalsContact C-N 3.34Å; H238-Y240 PolarHBondContact O-N 2.76Å; H238-S241 WeakPolarHBondContact O-CB 3.21Å; H238-S241 PolarHBondContact O-N 3.12Å; H238-F242 PolarHBondContact O-N 2.8Å; H238-W307 HydrophobicContact CB-CB 3.95Å; H238-W307 HydrophobicContact CB-CD2 4.05Å; H238-W307 HydrophobicContact CB-CG 3.58Å; H238-W307 AromaticContact CG-CD1 3.78Å; H238-N310 WeakPolarHBondContact NE2-CB 3.45Å; H238-N310 PolarHBondContact NE2-ND2 3.33Å
239I98.2Very high97.9Very high0 Ų055.2 Ų55.20%027%0.266CS..Hα-helixtrans-68.6-33.7-177.4-162.8170000111.9F235 L236 F242 R243 V265 F287 L304 W307F235-I239 HydrophobicContact CD1-CG2 4.37Å; F235-I239 HydrophobicContact CE1-CB 4.31Å; F235-I239 HydrophobicContact CE1-CD1 4.04Å; F235-I239 HydrophobicContact CE1-CG2 4.18Å; F235-I239 HydrophobicContact CZ-CD1 4.24Å; F235-I239 PolarHBondContact O-N 3.3Å; L236-I239 HydrophobicContact CD1-CG2 4.36Å; L236-I239 WeakPolarHBondContact O-CG2 2.94Å; I239-F242 PolarHBondContact O-N 3.18Å; I239-R243 PolarHBondContact O-N 3.08Å; I239-V265 HydrophobicContact CD1-CG1 3.73Å; I239-V265 HydrophobicContact CG1-CG1 3.78Å; I239-F287 HydrophobicContact CD1-CD1 3.98Å; I239-F287 HydrophobicContact CD1-CE1 4.06Å; I239-F287 HydrophobicContact CD1-CG 4.24Å; I239-F287 HydrophobicContact CD1-CZ 4.39Å; I239-F287 HydrophobicContact CG2-CE1 3.9Å; I239-F287 HydrophobicContact CG2-CZ 4.16Å; I239-L304 HydrophobicContact CD1-CD2 4.46Å; I239-W307 HydrophobicContact CB-CE3 4.15Å; I239-W307 HydrophobicContact CB-CZ3 4.03Å; I239-W307 HydrophobicContact CD1-CZ3 4.21Å; I239-W307 HydrophobicContact CG1-CE3 4.29Å; I239-W307 HydrophobicContact CG1-CH2 4.38Å; I239-W307 HydrophobicContact CG1-CZ3 3.72Å
240Y98.2Very high97.8Very high75 Ų7555.1 Ų55.129%0.29426%0.259SS..Hα-helixtrans-76-28.7172.7-87.7-111000113.1L236 H238 F242 R243 N244 M267 F287L236-Y240 HydrophobicContact CD1-CD2 3.63Å; L236-Y240 HydrophobicContact CD1-CE2 3.48Å; L236-Y240 VanDerWaalsContact CD1-CE2 3.48Å; L236-Y240 HydrophobicContact CG-CD2 3.99Å; L236-Y240 HydrophobicContact CG-CE2 4.23Å; L236-Y240 WeakPolarHBondContact O-CB 3.49Å; L236-Y240 PolarHBondContact O-N 3.34Å; H238-Y240 VanDerWaalsContact C-N 3.34Å; H238-Y240 PolarHBondContact O-N 2.76Å; Y240-F242 VanDerWaalsContact C-N 3.35Å; Y240-R243 WeakPolarHBondContact O-CB 3.48Å; Y240-R243 PolarHBondContact O-N 2.72Å; Y240-N244 WeakPolarHBondContact O-CB 3.45Å; Y240-N244 PolarHBondContact O-N 3.18Å; Y240-N244 PolarHBondContact O-ND2 2.77Å; Y240-M267 HydrophobicContact CE2-CB 4.46Å; Y240-F287 HydrophobicContact CE2-CE1 4.32Å
241S98.5Very high97.7Very high55 Ų5556.6 Ų56.639%0.38527%0.266SS..Hα-helixtrans-59.7-48.5167.9-171.10000110.4N237 H238 R243 N244 E245N237-S241 VanDerWaalsContact O-CB 3.3Å; N237-S241 WeakPolarHBondContact O-CB 3.41Å; N237-S241 PolarHBondContact O-N 2.93Å; H238-S241 WeakPolarHBondContact O-CB 3.21Å; H238-S241 PolarHBondContact O-N 3.12Å; S241-R243 PolarHBondContact O-N 3.45Å; S241-N244 PolarHBondContact O-N 2.67Å; S241-N244 VanDerWaalsContact O-N 3.13Å; S241-E245 WeakPolarHBondContact O-CG 3.46Å; S241-E245 PolarHBondContact O-N 2.84Å; S241-E245 PolarHBondContact OG-OE1 3.16Å
242F98.3Very high97.6Very high9 Ų962.2 Ų62.24%0.03930%0.296CS..Hα-helixtrans-59.3-43.7174.9172.8-104.3000112.4H238 I239 Y240 N244 E245 E246 T263 V265 L295 F300 K303 W307H238-F242 PolarHBondContact O-N 2.8Å; I239-F242 PolarHBondContact O-N 3.18Å; Y240-F242 VanDerWaalsContact C-N 3.35Å; F242-N244 VanDerWaalsContact C-N 3.3Å; F242-N244 PolarHBondContact O-N 3.26Å; F242-E245 WeakPolarHBondContact O-CB 3.41Å; F242-E245 PolarHBondContact O-N 3.41Å; F242-E246 HydrophobicContact CE1-CG 4.12Å; F242-E246 HydrophobicContact CE2-CG 4.02Å; F242-E246 HydrophobicContact CZ-CG 3.8Å; F242-E246 PolarHBondContact O-N 3.12Å; F242-T263 HydrophobicContact CE1-CG2 3.73Å; F242-T263 HydrophobicContact CZ-CG2 4.09Å; F242-V265 HydrophobicContact CD1-CG2 4.03Å; F242-V265 HydrophobicContact CE1-CG2 4.02Å; F242-L295 HydrophobicContact CE2-CD2 4.46Å; F242-L295 HydrophobicContact CZ-CD2 3.95Å; F242-F300 HydrophobicContact CD1-CE2 4.36Å; F242-F300 AromaticContact CE1-CE2 3.85Å; F242-F300 HydrophobicContact CE1-CE2 3.85Å; F242-F300 HydrophobicContact CZ-CE2 4.32Å; F242-K303 HydrophobicContact CE2-CD 4.44Å; F242-W307 HydrophobicContact CB-CH2 3.74Å; F242-W307 HydrophobicContact CB-CZ2 3.7Å; F242-W307 AromaticContact CD1-CH2 3.94Å; F242-W307 HydrophobicContact CD1-CH2 3.94Å; F242-W307 HydrophobicContact CD2-CH2 4.44Å; F242-W307 HydrophobicContact CD2-CZ2 4.43Å; F242-W307 AromaticContact CG-CH2 3.77Å; F242-W307 HydrophobicContact CG-CH2 3.77Å; F242-W307 HydrophobicContact CG-CZ2 4.01Å
243R98.1Very high97.3Very high69 Ų6961.7 Ų61.726%0.2630%0.296SS..Hα-helixtrans-56.5-44.2173.9-174.8-164.8176.9-75.9-3.2111.8I239 Y240 S241 E246 Q247 V265 N266I239-R243 PolarHBondContact O-N 3.08Å; Y240-R243 WeakPolarHBondContact O-CB 3.48Å; Y240-R243 PolarHBondContact O-N 2.72Å; S241-R243 PolarHBondContact O-N 3.45Å; R243-E246 PolarHBondContact O-N 2.76Å; R243-Q247 PolarHBondContact O-N 3.37Å; R243-V265 HydrophobicContact CB-CB 4.46Å; R243-V265 WeakPolarHBondContact CD-O 3.11Å; R243-V265 WeakPolarHBondContact CG-O 3.44Å; R243-V265 PolarHBondContact NE-O 3.19Å; R243-N266 PolarHBondContact NE-OD1 3.17Å
244N98.2Very high96.9Very high76 Ų7663.3 Ų63.341%0.40631%0.313SS..Hα-helixtrans-68.1-37.3179.5-67.9-18.2000111.8Y240 S241 F242 Q247 L248Y240-N244 WeakPolarHBondContact O-CB 3.45Å; Y240-N244 PolarHBondContact O-N 3.18Å; Y240-N244 PolarHBondContact O-ND2 2.77Å; S241-N244 PolarHBondContact O-N 2.67Å; S241-N244 VanDerWaalsContact O-N 3.13Å; F242-N244 VanDerWaalsContact C-N 3.3Å; F242-N244 PolarHBondContact O-N 3.26Å; N244-Q247 PolarHBondContact O-N 3.34Å; N244-L248 WeakPolarHBondContact O-CB 3.38Å; N244-L248 VanDerWaalsContact O-CG 3.3Å; N244-L248 WeakPolarHBondContact O-CG 3.39Å; N244-L248 PolarHBondContact O-N 3.32Å
245E98Very high96.3Very high105 Ų10564.9 Ų64.949%0.49134%0.338SS..Hα-helixtrans-59.5-45.3172.8-71.2162.1-152.200111.3S241 F242 L248 R249S241-E245 WeakPolarHBondContact O-CG 3.46Å; S241-E245 PolarHBondContact O-N 2.84Å; S241-E245 PolarHBondContact OG-OE1 3.16Å; F242-E245 WeakPolarHBondContact O-CB 3.41Å; F242-E245 PolarHBondContact O-N 3.41Å; E245-L248 PolarHBondContact O-N 3.14Å; E245-R249 WeakPolarHBondContact O-CB 3.33Å; E245-R249 PolarHBondContact O-N 3.29Å
246E97.6Very high95.8Very high13 Ų1373.7 Ų73.76%0.06138%0.377CS..Hα-helixtrans-66.1-39.1177.1-69.2-65.199.700112.4F242 R243 R249 L250 I262 T263F242-E246 HydrophobicContact CE1-CG 4.12Å; F242-E246 HydrophobicContact CE2-CG 4.02Å; F242-E246 HydrophobicContact CZ-CG 3.8Å; F242-E246 PolarHBondContact O-N 3.12Å; R243-E246 PolarHBondContact O-N 2.76Å; E246-R249 VanDerWaalsContact CD-NH1 3.26Å; E246-R249 WeakPolarHBondContact O-CB 3.44Å; E246-R249 PolarHBondContact O-N 3.47Å; E246-R249 IonicContact OE1-CZ 2.74Å; E246-R249 IonicContact OE1-NE 2.91Å; E246-R249 IonicContact OE1-NH1 3.78Å; E246-R249 PolarHBondContact OE1-NH1 2.78Å; E246-R249 IonicContact OE2-CZ 3.4Å; E246-R249 VanDerWaalsContact OE2-CZ 3.32Å; E246-R249 IonicContact OE2-NH1 2.65Å; E246-R249 PolarHBondContact OE2-NH1 3.06Å; E246-R249 VanDerWaalsContact OE2-NH1 3.09Å; E246-R249 IonicContact OE2-NH2 3.89Å; E246-R249 PolarHBondContact OE2-NH2 2.95Å; E246-L250 PolarHBondContact O-N 3.25Å; E246-L250 VanDerWaalsContact O-N 3.09Å; E246-I262 HydrophobicContact CB-CB 4.41Å; E246-T263 VanDerWaalsContact CB-O 3.29Å; E246-T263 WeakPolarHBondContact CB-O 3.45Å; E246-T263 WeakPolarHBondContact CG-O 3.41Å; E246-T263 PolarHBondContact OE2-N 2.84Å
247Q96.7Very high95.4Very high76 Ų7674.2 Ų74.236%0.35538%0.38SS..Hα-helixtrans-63.1-47.9174.8-179.9175.2-25.200111.3R243 N244 R249 L250 E251R243-Q247 PolarHBondContact O-N 3.37Å; N244-Q247 PolarHBondContact O-N 3.34Å; Q247-R249 VanDerWaalsContact C-N 3.27Å; Q247-R249 PolarHBondContact O-N 2.66Å; Q247-L250 WeakPolarHBondContact O-CB 3.12Å; Q247-L250 PolarHBondContact O-N 2.91Å; Q247-L250 VanDerWaalsContact O-N 3.16Å; Q247-E251 VanDerWaalsContact CG-OE1 3.29Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.31Å; Q247-E251 PolarHBondContact NE2-OE1 3.07Å; Q247-E251 WeakPolarHBondContact O-CG 3Å; Q247-E251 PolarHBondContact O-N 3Å
248L97.5Very high95.1Very high89 Ų8971.3 Ų71.347%0.46637%0.365SS..Hα-helixtrans-62.1-36.2175.9-73.4171.6000111.5N244 E245 L250 E251 N252N244-L248 WeakPolarHBondContact O-CB 3.38Å; N244-L248 VanDerWaalsContact O-CG 3.3Å; N244-L248 WeakPolarHBondContact O-CG 3.39Å; N244-L248 PolarHBondContact O-N 3.32Å; E245-L248 PolarHBondContact O-N 3.14Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-L250 PolarHBondContact O-N 2.99Å; L248-E251 PolarHBondContact O-N 2.95Å; L248-N252 WeakPolarHBondContact O-CB 3.42Å; L248-N252 PolarHBondContact O-N 3.04Å; L248-N252 PolarHBondContact O-ND2 2.81Å
249R95.8Very high94.7Very high92 Ų9272.9 Ų72.935%0.34738%0.375SS..Hα-helixtrans-60.3-42.5175-166.8177.188.1-167.915.5111.6E245 E246 Q247 S253 L257 D261E245-R249 WeakPolarHBondContact O-CB 3.33Å; E245-R249 PolarHBondContact O-N 3.29Å; E246-R249 VanDerWaalsContact CD-NH1 3.26Å; E246-R249 WeakPolarHBondContact O-CB 3.44Å; E246-R249 PolarHBondContact O-N 3.47Å; E246-R249 IonicContact OE1-CZ 2.74Å; E246-R249 IonicContact OE1-NE 2.91Å; E246-R249 IonicContact OE1-NH1 3.78Å; E246-R249 PolarHBondContact OE1-NH1 2.78Å; E246-R249 IonicContact OE2-CZ 3.4Å; E246-R249 VanDerWaalsContact OE2-CZ 3.32Å; E246-R249 IonicContact OE2-NH1 2.65Å; E246-R249 PolarHBondContact OE2-NH1 3.06Å; E246-R249 VanDerWaalsContact OE2-NH1 3.09Å; E246-R249 IonicContact OE2-NH2 3.89Å; E246-R249 PolarHBondContact OE2-NH2 2.95Å; Q247-R249 VanDerWaalsContact C-N 3.27Å; Q247-R249 PolarHBondContact O-N 2.66Å; R249-S253 PolarHBondContact O-N 2.9Å; R249-L257 HydrophobicContact CG-CD1 3.9Å; R249-D261 PolarHBondContact NH2-O 2.92Å
250L95.3Very high94.3Very high43 Ų4373 Ų7323%0.22538%0.376CS..Hα-helixtrans-65.8-51.6175.6178.762.5000111.6E246 Q247 L248 N252 S253 L257 L259 I262E246-L250 PolarHBondContact O-N 3.25Å; E246-L250 VanDerWaalsContact O-N 3.09Å; Q247-L250 WeakPolarHBondContact O-CB 3.12Å; Q247-L250 PolarHBondContact O-N 2.91Å; Q247-L250 VanDerWaalsContact O-N 3.16Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-L250 PolarHBondContact O-N 2.99Å; L250-N252 PolarHBondContact O-N 2.89Å; L250-S253 VanDerWaalsContact O-CB 3.32Å; L250-S253 WeakPolarHBondContact O-CB 3.34Å; L250-S253 PolarHBondContact O-N 3.3Å; L250-S253 VanDerWaalsContact O-N 3.16Å; L250-S253 PolarHBondContact O-OG 2.94Å; L250-L257 HydrophobicContact CD1-CB 4.06Å; L250-L257 VanDerWaalsContact CD1-O 3.3Å; L250-L257 WeakPolarHBondContact CD1-O 3.06Å; L250-L259 HydrophobicContact CD2-CD2 3.99Å; L250-I262 HydrophobicContact CB-CD1 4.05Å; L250-I262 HydrophobicContact CB-CG2 4.12Å; L250-I262 HydrophobicContact CD2-CD1 3.87Å
251E95Very high94Very high103 Ų10370.8 Ų70.848%0.48137%0.369SS..Hα-helixtrans-60.4-46.1-178.4-70170.6-17400111.7Q247 L248 S253 L254Q247-E251 VanDerWaalsContact CG-OE1 3.29Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.31Å; Q247-E251 PolarHBondContact NE2-OE1 3.07Å; Q247-E251 WeakPolarHBondContact O-CG 3Å; Q247-E251 PolarHBondContact O-N 3Å; L248-E251 PolarHBondContact O-N 2.95Å; E251-S253 PolarHBondContact O-N 3.42Å; E251-L254 PolarHBondContact O-N 3.44Å
252N96.2Very high93.8Very high120 Ų12068.4 Ų68.464%0.64235%0.352SS*.Hα-helixtrans-72-11.7179.9-67.9-33.8000113.6L248 L250 L254L248-N252 WeakPolarHBondContact O-CB 3.42Å; L248-N252 PolarHBondContact O-N 3.04Å; L248-N252 PolarHBondContact O-ND2 2.81Å; L250-N252 PolarHBondContact O-N 2.89Å; N252-L254 PolarHBondContact O-N 3.49Å
253S92.9Very high93.7Very high16 Ų1668 Ų6811%0.11235%0.351CS..THydrogen-bonded Turntrans-71-15.3176.779.50000113.5R249 L250 E251 G255 K256 L257R249-S253 PolarHBondContact O-N 2.9Å; L250-S253 VanDerWaalsContact O-CB 3.32Å; L250-S253 WeakPolarHBondContact O-CB 3.34Å; L250-S253 PolarHBondContact O-N 3.3Å; L250-S253 VanDerWaalsContact O-N 3.16Å; L250-S253 PolarHBondContact O-OG 2.94Å; E251-S253 PolarHBondContact O-N 3.42Å; S253-G255 VanDerWaalsContact C-N 3.27Å; S253-G255 PolarHBondContact O-N 3.24Å; S253-G255 PolarHBondContact OG-N 2.85Å; S253-K256 VanDerWaalsContact O-CB 3.32Å; S253-K256 WeakPolarHBondContact O-CB 3.24Å; S253-K256 VanDerWaalsContact O-CG 3.29Å; S253-K256 WeakPolarHBondContact O-CG 3.17Å; S253-K256 PolarHBondContact O-N 3.14Å; S253-K256 VanDerWaalsContact O-N 3.14Å; S253-L257 WeakPolarHBondContact OG-CB 3.23Å; S253-L257 PolarHBondContact OG-N 3.25Å
254L88.9Confident93.5Very high160 Ų16066.2 Ų66.284%0.83835%0.347SS*.THydrogen-bonded Turntrans52.843.5-177.2-57.7174.6000112.5E251 N252E251-L254 PolarHBondContact O-N 3.44Å; N252-L254 PolarHBondContact O-N 3.49Å
255G85.6Confident93.5Very high71 Ų7162.6 Ų62.673%0.73233%0.328SS*.THydrogen-bonded Turntrans84.32.9178.400000115.1S253S253-G255 VanDerWaalsContact C-N 3.27Å; S253-G255 PolarHBondContact O-N 3.24Å; S253-G255 PolarHBondContact OG-N 2.85Å
256K87.9Confident93.5Very high185 Ų18560.8 Ų60.880%0.80432%0.322SS*.SBendtrans-74.2-32.6172.8-67177-178.4177.40112.8S253S253-K256 VanDerWaalsContact O-CB 3.32Å; S253-K256 WeakPolarHBondContact O-CB 3.24Å; S253-K256 VanDerWaalsContact O-CG 3.29Å; S253-K256 WeakPolarHBondContact O-CG 3.17Å; S253-K256 PolarHBondContact O-N 3.14Å; S253-K256 VanDerWaalsContact O-N 3.14Å
257L91Very high93.5Very high51 Ų5163.1 Ų63.127%0.26733%0.333SS..SBendtrans-102.6151.6173.9-58.8-177.1000109.8R249 L250 S253 D261R249-L257 HydrophobicContact CG-CD1 3.9Å; L250-L257 HydrophobicContact CD1-CB 4.06Å; L250-L257 VanDerWaalsContact CD1-O 3.3Å; L250-L257 WeakPolarHBondContact CD1-O 3.06Å; S253-L257 WeakPolarHBondContact OG-CB 3.23Å; S253-L257 PolarHBondContact OG-N 3.25Å; L257-D261 HydrophobicContact CB-CB 4.08Å; L257-D261 HydrophobicContact CD2-CB 3.86Å; L257-D261 HydrophobicContact CG-CB 4.4Å
258T90.9Very high93.5Very high31 Ų3163.4 Ų63.419%0.1934%0.34CS..  trans-119.7175.5174.965.40000109.2G260 D261T258-G260 PolarHBondContact O-N 2.84Å; T258-D261 WeakPolarHBondContact CA-OD2 3.38Å; T258-D261 PolarHBondContact N-OD2 3Å; T258-D261 WeakPolarHBondContact O-CB 2.93Å; T258-D261 PolarHBondContact O-N 2.73Å; T258-D261 PolarHBondContact OG1-OD2 2.69Å
259L90.9Very high93.5Very high92 Ų9264 Ų6448%0.48234%0.342SS..G310 helixtrans-57.3-31.7176.7-78.8173.1000113.2R204 L250 D261 I262 T264 P361R204-L259 VanDerWaalsContact CD-O 3.26Å; R204-L259 WeakPolarHBondContact CD-O 3.42Å; R204-L259 PolarHBondContact NE-O 3.03Å; R204-L259 PolarHBondContact NH1-O 2.9Å; L250-L259 HydrophobicContact CD2-CD2 3.99Å; L259-D261 PolarHBondContact O-N 3.18Å; L259-I262 HydrophobicContact CD2-CD1 4.29Å; L259-I262 PolarHBondContact O-N 2.91Å; L259-T264 HydrophobicContact CD2-CG2 4.47Å; L259-P361 HydrophobicContact CB-CB 4.22Å
260G90Very high93.6Very high1 Ų163.9 Ų63.91%0.0135%0.347CS..G310 helixtrans-63.5-28177.500000113.2R204 T258 I359R204-G260 WeakPolarHBondContact CG-O 3.33Å; T258-G260 PolarHBondContact O-N 2.84Å; G260-I359 VanDerWaalsContact O-CG2 3.3Å; G260-I359 WeakPolarHBondContact O-CG2 3.26Å
261D91.8Very high93.7Very high29 Ų2966.6 Ų66.616%0.15536%0.362CS..G310 helixtrans-80.3-17.7-176.3-57.7-74.9000112.8R249 L257 T258 L259 T292R249-D261 PolarHBondContact NH2-O 2.92Å; L257-D261 HydrophobicContact CB-CB 4.08Å; L257-D261 HydrophobicContact CD2-CB 3.86Å; L257-D261 HydrophobicContact CG-CB 4.4Å; T258-D261 WeakPolarHBondContact CA-OD2 3.38Å; T258-D261 PolarHBondContact N-OD2 3Å; T258-D261 WeakPolarHBondContact O-CB 2.93Å; T258-D261 PolarHBondContact O-N 2.73Å; T258-D261 PolarHBondContact OG1-OD2 2.69Å; L259-D261 PolarHBondContact O-N 3.18Å; D261-T292 WeakPolarHBondContact O-CB 3.23Å; D261-T292 PolarHBondContact O-OG1 2.77Å
262I94.1Very high93.8Very high6 Ų664.2 Ų64.23%0.03137%0.365CS..SBendtrans-112.2156.4-17663154.2000113.3R204 E246 L250 L259 T264R204-I262 VanDerWaalsContact CD-O 3.31Å; R204-I262 WeakPolarHBondContact CD-O 3.44Å; E246-I262 HydrophobicContact CB-CB 4.41Å; L250-I262 HydrophobicContact CB-CD1 4.05Å; L250-I262 HydrophobicContact CB-CG2 4.12Å; L250-I262 HydrophobicContact CD2-CD1 3.87Å; L259-I262 HydrophobicContact CD2-CD1 4.29Å; L259-I262 PolarHBondContact O-N 2.91Å; I262-T264 HydrophobicContact CD1-CG2 4.11Å
263T94.8Very high93.7Very high1 Ų160.6 Ų60.61%0.00636%0.356CS..  trans-83.8124.2168-57.20000110F242 E246 V265 I289 R290 L291 T292F242-T263 HydrophobicContact CE1-CG2 3.73Å; F242-T263 HydrophobicContact CZ-CG2 4.09Å; E246-T263 VanDerWaalsContact CB-O 3.29Å; E246-T263 WeakPolarHBondContact CB-O 3.45Å; E246-T263 WeakPolarHBondContact CG-O 3.41Å; E246-T263 PolarHBondContact OE2-N 2.84Å; T263-V265 HydrophobicContact CG2-CG2 4.14Å; T263-I289 HydrophobicContact CG2-CG2 3.78Å; T263-R290 VanDerWaalsContact CA-O 3.31Å; T263-R290 WeakPolarHBondContact CA-O 3.36Å; T263-L291 HydrophobicContact CG2-CD1 3.98Å; T263-T292 VanDerWaalsContact OG1-CG2 3.29Å; T263-T292 WeakPolarHBondContact OG1-CG2 3.32Å; T263-T292 PolarHBondContact OG1-N 3.41Å
264T95.6Very high93.7Very high30 Ų3066.4 Ų66.418%0.18439%0.39CS..EExtended strand (participates in β ladder)trans-101.2138.1168.653.50000109.9R204 L259 I262 I289 R290R204-T264 VanDerWaalsContact NH1-CG2 3.27Å; R204-T264 PolarHBondContact NH1-OG1 2.86Å; L259-T264 HydrophobicContact CD2-CG2 4.47Å; I262-T264 HydrophobicContact CD1-CG2 4.11Å; T264-I289 CarbonylContact O-C 3.54Å; T264-I289 VanDerWaalsContact O-CA 3.26Å; T264-I289 WeakPolarHBondContact O-CA 3.46Å; T264-R290 PolarHBondContact N-O 3.01Å; T264-R290 VanDerWaalsContact N-O 3.15Å; T264-R290 PolarHBondContact O-N 2.81Å; T264-R290 WeakPolarHBondContact OG1-CB 3.5Å
265V96.9Very high93.9Very high0 Ų064 Ų640%038%0.375CS..EExtended strand (participates in β ladder)trans-128126.8174.9-1780000108.5I239 F242 R243 T263 F287 I289I239-V265 HydrophobicContact CD1-CG1 3.73Å; I239-V265 HydrophobicContact CG1-CG1 3.78Å; F242-V265 HydrophobicContact CD1-CG2 4.03Å; F242-V265 HydrophobicContact CE1-CG2 4.02Å; R243-V265 HydrophobicContact CB-CB 4.46Å; R243-V265 WeakPolarHBondContact CD-O 3.11Å; R243-V265 WeakPolarHBondContact CG-O 3.44Å; R243-V265 PolarHBondContact NE-O 3.19Å; T263-V265 HydrophobicContact CG2-CG2 4.14Å; V265-F287 HydrophobicContact CG1-CB 4.47Å; V265-F287 HydrophobicContact CG1-CD1 3.89Å; V265-I289 HydrophobicContact CB-CG1 4.35Å; V265-I289 HydrophobicContact CG1-CG1 3.91Å; V265-I289 HydrophobicContact CG2-CG1 4.09Å; V265-I289 HydrophobicContact CG2-CG2 4.13Å
266N97.3Very high94.4Very high68 Ų6870.6 Ų70.636%0.36439%0.386SS..EExtended strand (participates in β ladder)trans-136.2131.3174.3-59.9-65000109.9R243 F287 D288R243-N266 PolarHBondContact NE-OD1 3.17Å; N266-F287 CarbonylContact O-C 3.6Å; N266-F287 VanDerWaalsContact O-CA 3.32Å; N266-F287 WeakPolarHBondContact O-CA 3.08Å; N266-D288 PolarHBondContact N-O 2.91Å; N266-D288 PolarHBondContact O-N 3.39Å
267M98Very high94.8Very high61 Ų6165.1 Ų65.130%0.337%0.366SS..EExtended strand (participates in β ladder)trans-74125.6170.8-171.5179.567.800109.1F232 L236 Y240 A285 S286 F287F232-M267 HydrophobicContact CE2-SD 4.06Å; F232-M267 HydrophobicContact CZ-SD 3.92Å; L236-M267 HydrophobicContact CD1-SD 4.11Å; Y240-M267 HydrophobicContact CE2-CB 4.46Å; M267-A285 HydrophobicContact CG-CB 4.48Å; M267-A285 HydrophobicContact SD-CB 4.09Å; M267-S286 CarbonylContact C-O 3.55Å; M267-S286 WeakPolarHBondContact CA-O 3.16Å; M267-S286 WeakPolarHBondContact CG-O 3.38Å; M267-F287 HydrophobicContact CB-CD1 3.91Å; M267-F287 HydrophobicContact CB-CE1 3.72Å; M267-F287 HydrophobicContact CB-CZ 4.42Å; M267-F287 HydrophobicContact CG-CD1 4.4Å; M267-F287 HydrophobicContact CG-CE1 4.06Å; M267-F287 HydrophobicContact CG-CZ 4.27Å
268T97Very high95Very high82 Ų8265.4 Ų65.450%0.50337%0.369SS..EExtended strand (participates in β ladder)trans-109.5-26.9-174.253.30000112.9S286 D288T268-S286 PolarHBondContact N-O 3.36Å; T268-S286 PolarHBondContact OG1-O 3.19Å; T268-D288 HydrophobicContact CG2-CB 3.82Å
269M97.8Very high95.3Very high102 Ų10265 Ų6550%0.50237%0.367SS..EExtended strand (participates in β ladder)trans-143.6150.2179-59.1179.3-77.500110.9A285 S286M269-A285 WeakPolarHBondContact O-CA 3.37Å; M269-S286 WeakPolarHBondContact CE-OG 3.45Å; M269-S286 PolarHBondContact O-N 2.77Å
270I97.7Very high95.6Very high89 Ų8962 Ų6246%0.45635%0.353SS..EExtended strand (participates in β ladder)trans-141133170.5-171.9172.5000109F232 T284F232-I270 HydrophobicContact CD1-CD1 4.47Å; F232-I270 HydrophobicContact CE1-CD1 3.61Å; F232-I270 HydrophobicContact CE2-CD1 4.35Å; F232-I270 HydrophobicContact CZ-CD1 3.54Å; I270-T284 CarbonylContact C-O 3.55Å; I270-T284 WeakPolarHBondContact CA-O 3.11Å
271N97.4Very high96Very high101 Ų10168.6 Ų68.654%0.5438%0.383SS..EExtended strand (participates in β ladder)trans-141153.1-178.1-66-72.4000111L283 T284N271-L283 WeakPolarHBondContact O-CA 3.43Å; N271-T284 PolarHBondContact N-O 3.22Å; N271-T284 PolarHBondContact O-N 2.86Å
272G95.9Very high96.3Very high52 Ų5270.6 Ų70.654%0.53639%0.392SS..EExtended strand (participates in β ladder)trans136.8169.217300000112.9
273G94.2Very high96.5Very high45 Ų4571.4 Ų71.446%0.46440%0.396SS..  trans82.5156.1-168.900000113
274V93.6Very high96.6Very high137 Ų13772.5 Ų72.583%0.8340%0.403SS*.SBendtrans-124.6-44.3-179.7-178.80000110.6
275Q94.2Very high96.8Very high109 Ų10971.1 Ų71.151%0.50939%0.394SS..SBendtrans-149.9159.6-177.364.6-177.32900111.9N277 V278Q275-N277 VanDerWaalsContact C-N 3.28Å; Q275-N277 VanDerWaalsContact CD-OD1 3.3Å; Q275-N277 WeakPolarHBondContact CG-OD1 3.13Å; Q275-N277 PolarHBondContact NE2-OD1 3.49Å; Q275-N277 PolarHBondContact O-N 2.49Å; Q275-N277 VanDerWaalsContact O-N 3.14Å; Q275-V278 HydrophobicContact CG-CB 3.76Å; Q275-V278 HydrophobicContact CG-CG2 3.43Å; Q275-V278 VanDerWaalsContact CG-CG2 3.43Å; Q275-V278 PolarHBondContact O-N 2.88Å
276H95Very high96.8Very high210 Ų21071.3 Ų71.397%0.97240%0.396SS*.THydrogen-bonded Turntrans-56.8-31.8-171.7-67.5-67.7000115.6
277N95.9Very high96.9Very high70 Ų7068.2 Ų68.237%0.37438%0.379SS..THydrogen-bonded Turntrans-101.812.8-17670-32.5000113.9G220 Q275G220-N277 PolarHBondContact N-O 3.07Å; Q275-N277 VanDerWaalsContact C-N 3.28Å; Q275-N277 VanDerWaalsContact CD-OD1 3.3Å; Q275-N277 WeakPolarHBondContact CG-OD1 3.13Å; Q275-N277 PolarHBondContact NE2-OD1 3.49Å; Q275-N277 PolarHBondContact O-N 2.49Å; Q275-N277 VanDerWaalsContact O-N 3.14Å
278V96.7Very high96.7Very high57 Ų5767 Ų6735%0.34537%0.374SS..EExtended strand (participates in β ladder)trans-116.8120.3179172.40000109.7Q275Q275-V278 HydrophobicContact CG-CB 3.76Å; Q275-V278 HydrophobicContact CG-CG2 3.43Å; Q275-V278 VanDerWaalsContact CG-CG2 3.43Å; Q275-V278 PolarHBondContact O-N 2.88Å
279V96.9Very high96.6Very high24 Ų2463 Ų6315%0.14535%0.35CS..EExtended strand (participates in β ladder)trans-69.8121.9168.2-179.70000107.6A217 G218 I224 T227A217-V279 WeakPolarHBondContact CA-O 3.43Å; A217-V279 VanDerWaalsContact CB-O 3.3Å; A217-V279 WeakPolarHBondContact CB-O 3.43Å; G218-V279 PolarHBondContact N-O 3.22Å; G218-V279 PolarHBondContact O-N 2.96Å; I224-V279 HydrophobicContact CD1-CB 4.05Å; I224-V279 HydrophobicContact CD1-CG1 4.39Å; I224-V279 HydrophobicContact CD1-CG2 3.92Å; T227-V279 HydrophobicContact CG2-CG1 3.71Å
280P97.2Very high96.4Very high29 Ų2961.1 Ų61.119%0.18834%0.337CS..  trans-69.8144.2-17625.6-32.2000112.4Q282 L283P280-Q282 VanDerWaalsContact C-N 3.28Å; P280-L283 HydrophobicContact CB-CD2 4.3Å; P280-L283 HydrophobicContact CG-CD2 3.79Å; P280-L283 HydrophobicContact CG-CG 4.19Å
281E97.2Very high96.1Very high138 Ų13856.9 Ų56.965%0.64532%0.315SS*.SBendtrans-73.2-25.1169.266.1-174.6167.900112.2H214 G215 A217H214-E281 WeakPolarHBondContact CA-O 3.38Å; G215-E281 PolarHBondContact N-O 3.06Å; G215-E281 WeakPolarHBondContact O-CA 3.49Å; A217-E281 HydrophobicContact CB-CB 3.88Å
282Q97.9Very high95.8Very high72 Ų7252.2 Ų52.234%0.33629%0.29SS..EExtended strand (participates in β ladder)trans-141.9139.2-177-168.7-179.74.800112.1F213 H214 P280F213-Q282 VanDerWaalsContact O-CA 3.25Å; F213-Q282 WeakPolarHBondContact O-CA 3.49Å; H214-Q282 VanDerWaalsContact CE1-CD 3.48Å; H214-Q282 PolarHBondContact CE1-NE2 3.38Å; P280-Q282 VanDerWaalsContact C-N 3.28Å
283L98.2Very high95.3Very high22 Ų2250.1 Ų50.112%0.11527%0.267CS..EExtended strand (participates in β ladder)trans-122151.7162.2-66.3-179.3000109.1F213 A228 A229 F232 N271 P280F213-L283 HydrophobicContact CB-CB 4.46Å; F213-L283 HydrophobicContact CD2-CB 4.42Å; F213-L283 PolarHBondContact N-O 3.45Å; F213-L283 PolarHBondContact O-N 2.73Å; A228-L283 HydrophobicContact CB-CB 4.29Å; A228-L283 HydrophobicContact CB-CD1 4.44Å; A228-L283 HydrophobicContact CB-CG 3.96Å; A229-L283 HydrophobicContact CB-CD1 3.96Å; F232-L283 HydrophobicContact CB-CD1 4.16Å; F232-L283 HydrophobicContact CD1-CD1 4.36Å; F232-L283 HydrophobicContact CG-CD1 4.45Å; N271-L283 WeakPolarHBondContact O-CA 3.43Å; P280-L283 HydrophobicContact CB-CD2 4.3Å; P280-L283 HydrophobicContact CG-CD2 3.79Å; P280-L283 HydrophobicContact CG-CG 4.19Å
284T98.5Very high95Very high25 Ų2551.7 Ų51.715%0.15327%0.271CS..EExtended strand (participates in β ladder)trans-127.3133.4171.7-58.70000109.5N210 V211 H212 I270 N271N210-T284 HydrophobicContact CB-CG2 4.19Å; V211-T284 VanDerWaalsContact O-CA 3.3Å; V211-T284 WeakPolarHBondContact O-CA 3.37Å; H212-T284 PolarHBondContact ND1-OG1 2.7Å; I270-T284 CarbonylContact C-O 3.55Å; I270-T284 WeakPolarHBondContact CA-O 3.11Å; N271-T284 PolarHBondContact N-O 3.22Å; N271-T284 PolarHBondContact O-N 2.86Å
285A98.5Very high94.8Very high0 Ų046.5 Ų46.50%024%0.239CC..EExtended strand (participates in β ladder)trans-125.9135.2171.100000110.2V211 F213 F232 M267 M269 F287V211-A285 PolarHBondContact N-O 3.37Å; V211-A285 PolarHBondContact O-N 3.34Å; F213-A285 HydrophobicContact CE2-CB 3.99Å; F232-A285 HydrophobicContact CD2-CB 4.1Å; F232-A285 HydrophobicContact CE2-CB 3.61Å; M267-A285 HydrophobicContact CG-CB 4.48Å; M267-A285 HydrophobicContact SD-CB 4.09Å; M269-A285 WeakPolarHBondContact O-CA 3.37Å; A285-F287 HydrophobicContact CB-CE2 3.83Å; A285-F287 HydrophobicContact CB-CZ 4.19Å
286S98.5Very high94.5Very high5 Ų542.8 Ų42.84%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-108.5141.2-179.2-52.50000110.6I209 N210 M267 T268 M269I209-S286 CarbonylContact O-C 3.57Å; I209-S286 VanDerWaalsContact O-CA 3.31Å; I209-S286 WeakPolarHBondContact O-CA 3.37Å; N210-S286 VanDerWaalsContact OD1-CB 3.3Å; N210-S286 WeakPolarHBondContact OD1-CB 3.36Å; N210-S286 PolarHBondContact OD1-OG 3.23Å; M267-S286 CarbonylContact C-O 3.55Å; M267-S286 WeakPolarHBondContact CA-O 3.16Å; M267-S286 WeakPolarHBondContact CG-O 3.38Å; T268-S286 PolarHBondContact N-O 3.36Å; T268-S286 PolarHBondContact OG1-O 3.19Å; M269-S286 WeakPolarHBondContact CE-OG 3.45Å; M269-S286 PolarHBondContact O-N 2.77Å
287F98Very high94.2Very high2 Ų233.1 Ų33.11%0.00918%0.18CC..EExtended strand (participates in β ladder)trans-127.6131.8-178.2-61.1-94.9000111I209 V211 F235 L236 I239 Y240 V265 N266 M267 A285 I289I209-F287 HydrophobicContact CD1-CD2 4.45Å; I209-F287 HydrophobicContact CG1-CB 3.96Å; I209-F287 HydrophobicContact CG1-CD2 4.23Å; I209-F287 PolarHBondContact N-O 2.83Å; I209-F287 PolarHBondContact O-N 2.98Å; V211-F287 HydrophobicContact CB-CE2 4.43Å; V211-F287 HydrophobicContact CG2-CD2 3.86Å; V211-F287 HydrophobicContact CG2-CE2 3.83Å; F235-F287 HydrophobicContact CE1-CE2 4.06Å; F235-F287 HydrophobicContact CE1-CZ 4.18Å; L236-F287 HydrophobicContact CD1-CE1 4.1Å; L236-F287 HydrophobicContact CD1-CZ 4.05Å; I239-F287 HydrophobicContact CD1-CD1 3.98Å; I239-F287 HydrophobicContact CD1-CE1 4.06Å; I239-F287 HydrophobicContact CD1-CG 4.24Å; I239-F287 HydrophobicContact CD1-CZ 4.39Å; I239-F287 HydrophobicContact CG2-CE1 3.9Å; I239-F287 HydrophobicContact CG2-CZ 4.16Å; Y240-F287 HydrophobicContact CE2-CE1 4.32Å; V265-F287 HydrophobicContact CG1-CB 4.47Å; V265-F287 HydrophobicContact CG1-CD1 3.89Å; N266-F287 CarbonylContact O-C 3.6Å; N266-F287 VanDerWaalsContact O-CA 3.32Å; N266-F287 WeakPolarHBondContact O-CA 3.08Å; M267-F287 HydrophobicContact CB-CD1 3.91Å; M267-F287 HydrophobicContact CB-CE1 3.72Å; M267-F287 HydrophobicContact CB-CZ 4.42Å; M267-F287 HydrophobicContact CG-CD1 4.4Å; M267-F287 HydrophobicContact CG-CE1 4.06Å; M267-F287 HydrophobicContact CG-CZ 4.27Å; A285-F287 HydrophobicContact CB-CE2 3.83Å; A285-F287 HydrophobicContact CB-CZ 4.19Å; F287-I289 HydrophobicContact CB-CD1 4.13Å; F287-I289 HydrophobicContact CB-CG1 4.09Å
288D95.3Very high93.9Very high35 Ų3533.4 Ų33.419%0.18718%0.182CC..EExtended strand (participates in β ladder)trans-90.5116.9161.2-174.5-28.9000108.1W208 N266 T268 R290W208-D288 PolarHBondContact NE1-OD2 3.39Å; N266-D288 PolarHBondContact N-O 2.91Å; N266-D288 PolarHBondContact O-N 3.39Å; T268-D288 HydrophobicContact CG2-CB 3.82Å; D288-R290 IonicContact OD1-CZ 3.01Å; D288-R290 IonicContact OD1-NE 3.32Å; D288-R290 PolarHBondContact OD1-NE 3.07Å; D288-R290 IonicContact OD1-NH2 3.24Å; D288-R290 IonicContact OD2-CZ 2.63Å; D288-R290 IonicContact OD2-NE 2.77Å; D288-R290 PolarHBondContact OD2-NE 2.77Å; D288-R290 IonicContact OD2-NH2 3.25Å; D288-R290 PolarHBondContact OD2-NH2 3.45Å
289I94.8Very high93.7Very high0 Ų034 Ų340%018%0.183CC..EExtended strand (participates in β ladder)trans-116.8124.7179.2-57.1161.3000107.4V207 I209 T263 T264 V265 F287 F300V207-I289 HydrophobicContact CB-CB 4.15Å; V207-I289 HydrophobicContact CB-CG2 4.45Å; V207-I289 PolarHBondContact N-O 2.89Å; V207-I289 WeakPolarHBondContact O-CA 3.23Å; V207-I289 VanDerWaalsContact O-CB 3.27Å; V207-I289 WeakPolarHBondContact O-CB 3Å; V207-I289 PolarHBondContact O-N 3.37Å; I209-I289 HydrophobicContact CD1-CD1 3.66Å; I209-I289 HydrophobicContact CG1-CD1 3.88Å; T263-I289 HydrophobicContact CG2-CG2 3.78Å; T264-I289 CarbonylContact O-C 3.54Å; T264-I289 VanDerWaalsContact O-CA 3.26Å; T264-I289 WeakPolarHBondContact O-CA 3.46Å; V265-I289 HydrophobicContact CB-CG1 4.35Å; V265-I289 HydrophobicContact CG1-CG1 3.91Å; V265-I289 HydrophobicContact CG2-CG1 4.09Å; V265-I289 HydrophobicContact CG2-CG2 4.13Å; F287-I289 HydrophobicContact CB-CD1 4.13Å; F287-I289 HydrophobicContact CB-CG1 4.09Å; I289-F300 HydrophobicContact CD1-CE1 3.62Å; I289-F300 HydrophobicContact CD1-CZ 3.73Å; I289-F300 HydrophobicContact CG2-CE1 4.22Å; I289-F300 HydrophobicContact CG2-CZ 4.13Å
290R92.6Very high93.5Very high61 Ų6132.9 Ų32.923%0.2318%0.176CC..EExtended strand (participates in β ladder)trans-103.694.3169.5-53.9-64.2168.5142.30.4107.5R204 R205 T263 T264 D288R204-R290 HydrophobicContact CB-CB 4.2Å; R205-R290 CarbonylContact O-C 3.46Å; R205-R290 WeakPolarHBondContact O-CA 3.43Å; T263-R290 VanDerWaalsContact CA-O 3.31Å; T263-R290 WeakPolarHBondContact CA-O 3.36Å; T264-R290 PolarHBondContact N-O 3.01Å; T264-R290 VanDerWaalsContact N-O 3.15Å; T264-R290 PolarHBondContact O-N 2.81Å; T264-R290 WeakPolarHBondContact OG1-CB 3.5Å; D288-R290 IonicContact OD1-CZ 3.01Å; D288-R290 IonicContact OD1-NE 3.32Å; D288-R290 PolarHBondContact OD1-NE 3.07Å; D288-R290 IonicContact OD1-NH2 3.24Å; D288-R290 IonicContact OD2-CZ 2.63Å; D288-R290 IonicContact OD2-NE 2.77Å; D288-R290 PolarHBondContact OD2-NE 2.77Å; D288-R290 IonicContact OD2-NH2 3.25Å; D288-R290 PolarHBondContact OD2-NH2 3.45Å
291L91.6Very high93.4Very high1 Ų134.5 Ų34.51%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-74.5124.6-173.9-165.968.3000109.8R204 R205 V207 T263 L295 L297 F300R204-L291 WeakPolarHBondContact CA-O 3.34Å; R205-L291 PolarHBondContact N-O 2.96Å; R205-L291 PolarHBondContact O-N 3.08Å; V207-L291 HydrophobicContact CG2-CB 4.08Å; V207-L291 HydrophobicContact CG2-CD2 4.34Å; T263-L291 HydrophobicContact CG2-CD1 3.98Å; L291-L295 HydrophobicContact CD1-CB 4.24Å; L291-L295 HydrophobicContact CD1-CD2 3.79Å; L291-L295 HydrophobicContact CD1-CG 4Å; L291-L295 WeakPolarHBondContact CD2-O 3.24Å; L291-L297 HydrophobicContact CD2-CB 4.37Å; L291-L297 HydrophobicContact CD2-CD1 4.45Å; L291-F300 HydrophobicContact CD1-CB 3.99Å; L291-F300 HydrophobicContact CD1-CD1 4.35Å; L291-F300 HydrophobicContact CD1-CD2 4.01Å; L291-F300 HydrophobicContact CD1-CG 3.84Å; L291-F300 HydrophobicContact CD2-CB 4.4Å
292T90.6Very high93.4Very high2 Ų234 Ų341%0.01218%0.176CC..  trans-63.6141.2170.2176.80000109.6D261 T263 S294 L295D261-T292 WeakPolarHBondContact O-CB 3.23Å; D261-T292 PolarHBondContact O-OG1 2.77Å; T263-T292 VanDerWaalsContact OG1-CG2 3.29Å; T263-T292 WeakPolarHBondContact OG1-CG2 3.32Å; T263-T292 PolarHBondContact OG1-N 3.41Å; T292-S294 WeakPolarHBondContact CG2-OG 3.38Å; T292-S294 PolarHBondContact O-N 2.74Å; T292-S294 VanDerWaalsContact O-N 3.13Å; T292-S294 PolarHBondContact OG1-N 2.87Å; T292-S294 PolarHBondContact OG1-OG 2.73Å; T292-L295 HydrophobicContact CG2-CB 3.82Å; T292-L295 PolarHBondContact O-N 2.99Å
293P86.7Confident93.3Very high8 Ų834.3 Ų34.35%0.05218%0.176CC..THydrogen-bonded Turntrans-66.5-17.1179.230.6-37.5000112.1D202 R205 L295 V330 I359D202-P293 HydrophobicContact CB-CG 4.2Å; D202-P293 WeakPolarHBondContact OD2-CB 3.17Å; R205-P293 VanDerWaalsContact NH2-CB 3.34Å; P293-L295 PolarHBondContact O-N 3.31Å; P293-V330 HydrophobicContact CB-CG2 3.39Å; P293-V330 HydrophobicContact CG-CG1 4.44Å; P293-V330 HydrophobicContact CG-CG2 3.71Å; P293-V330 VanDerWaalsContact O-CG2 3.22Å; P293-V330 WeakPolarHBondContact O-CG2 3.34Å; P293-I359 HydrophobicContact CG-CD1 3.8Å; P293-I359 HydrophobicContact CG-CG1 4.31Å; P293-I359 HydrophobicContact CG-CG2 3.8Å
294S87.6Confident93.3Very high79 Ų7933.3 Ų33.355%0.55217%0.171SC*.THydrogen-bonded Turntrans-69-10.3172.265.20000114.8T292T292-S294 WeakPolarHBondContact CG2-OG 3.38Å; T292-S294 PolarHBondContact O-N 2.74Å; T292-S294 VanDerWaalsContact O-N 3.13Å; T292-S294 PolarHBondContact OG1-N 2.87Å; T292-S294 PolarHBondContact OG1-OG 2.73Å
295L88.8Confident93.3Very high27 Ų2736.6 Ų36.614%0.14119%0.188CC..SBendtrans-119.7115175.517958000108.9F242 L291 T292 P293 D299 F300F242-L295 HydrophobicContact CE2-CD2 4.46Å; F242-L295 HydrophobicContact CZ-CD2 3.95Å; L291-L295 HydrophobicContact CD1-CB 4.24Å; L291-L295 HydrophobicContact CD1-CD2 3.79Å; L291-L295 HydrophobicContact CD1-CG 4Å; L291-L295 WeakPolarHBondContact CD2-O 3.24Å; T292-L295 HydrophobicContact CG2-CB 3.82Å; T292-L295 PolarHBondContact O-N 2.99Å; P293-L295 PolarHBondContact O-N 3.31Å; L295-D299 HydrophobicContact CD1-CB 3.97Å; L295-F300 HydrophobicContact CD2-CB 4.36Å; L295-F300 HydrophobicContact CD2-CD2 3.94Å; L295-F300 HydrophobicContact CG-CB 4.36Å
296S87.8Confident93.3Very high31 Ų3141.2 Ų41.222%0.21721%0.209CC..  trans-65.7151.4-179.7760000111.4D298 D299 F300S296-D298 PolarHBondContact O-N 3.16Å; S296-D299 PolarHBondContact O-N 2.71Å; S296-D299 VanDerWaalsContact OG-CB 3.27Å; S296-D299 WeakPolarHBondContact OG-CB 3.44Å; S296-D299 PolarHBondContact OG-N 2.87Å; S296-D299 PolarHBondContact OG-OD2 2.61Å; S296-F300 PolarHBondContact O-N 2.82Å
297L88.6Confident93.3Very high7 Ų742.2 Ų42.24%0.03721%0.212CC..Hα-helixtrans-62.2-38.3176.1177.462000110.8V207 L291 F300 K301 T322V207-L297 HydrophobicContact CG1-CD1 4.3Å; V207-L297 HydrophobicContact CG2-CD1 4.19Å; L291-L297 HydrophobicContact CD2-CB 4.37Å; L291-L297 HydrophobicContact CD2-CD1 4.45Å; L297-F300 PolarHBondContact O-N 2.94Å; L297-K301 HydrophobicContact CD1-CG 4.44Å; L297-K301 HydrophobicContact CG-CD 4.29Å; L297-K301 WeakPolarHBondContact O-CB 3.35Å; L297-K301 WeakPolarHBondContact O-CG 2.95Å; L297-K301 PolarHBondContact O-N 3.25Å; L297-T322 HydrophobicContact CD2-CG2 4.26Å
298D90.2Very high93.3Very high77 Ų7742.5 Ų42.541%0.41222%0.215SC..Hα-helixtrans-63.8-41.8177.6-77.2-11.9000112.2S296 F300 K301 K302S296-D298 PolarHBondContact O-N 3.16Å; D298-F300 VanDerWaalsContact C-N 3.34Å; D298-K301 PolarHBondContact O-N 3.48Å; D298-K302 WeakPolarHBondContact O-CG 3.47Å; D298-K302 PolarHBondContact O-N 3.3Å
299D92.3Very high93.4Very high70 Ų7046.4 Ų46.437%0.37424%0.235SC..Hα-helixtrans-70.9-32.7176.3-65.5-35.9000112.1L295 S296 K302 K303L295-D299 HydrophobicContact CD1-CB 3.97Å; S296-D299 PolarHBondContact O-N 2.71Å; S296-D299 VanDerWaalsContact OG-CB 3.27Å; S296-D299 WeakPolarHBondContact OG-CB 3.44Å; S296-D299 PolarHBondContact OG-N 2.87Å; S296-D299 PolarHBondContact OG-OD2 2.61Å; D299-K302 PolarHBondContact O-N 2.72Å; D299-K302 IonicContact OD1-NZ 3.45Å; D299-K302 PolarHBondContact OD1-NZ 2.76Å; D299-K303 PolarHBondContact O-N 2.76Å; D299-K303 VanDerWaalsContact O-N 3.15Å
300F93.6Very high93.5Very high0 Ų050.1 Ų50.10%026%0.255CS..Hα-helixtrans-67.6-40.6171.8-170.9-108.3000112F242 I289 L291 L295 S296 L297 D298 K302 K303 L304 W307F242-F300 HydrophobicContact CD1-CE2 4.36Å; F242-F300 AromaticContact CE1-CE2 3.85Å; F242-F300 HydrophobicContact CE1-CE2 3.85Å; F242-F300 HydrophobicContact CZ-CE2 4.32Å; I289-F300 HydrophobicContact CD1-CE1 3.62Å; I289-F300 HydrophobicContact CD1-CZ 3.73Å; I289-F300 HydrophobicContact CG2-CE1 4.22Å; I289-F300 HydrophobicContact CG2-CZ 4.13Å; L291-F300 HydrophobicContact CD1-CB 3.99Å; L291-F300 HydrophobicContact CD1-CD1 4.35Å; L291-F300 HydrophobicContact CD1-CD2 4.01Å; L291-F300 HydrophobicContact CD1-CG 3.84Å; L291-F300 HydrophobicContact CD2-CB 4.4Å; L295-F300 HydrophobicContact CD2-CB 4.36Å; L295-F300 HydrophobicContact CD2-CD2 3.94Å; L295-F300 HydrophobicContact CG-CB 4.36Å; S296-F300 PolarHBondContact O-N 2.82Å; L297-F300 PolarHBondContact O-N 2.94Å; D298-F300 VanDerWaalsContact C-N 3.34Å; F300-K302 VanDerWaalsContact C-N 3.34Å; F300-K302 PolarHBondContact O-N 3.01Å; F300-K303 HydrophobicContact CD2-CD 4.41Å; F300-K303 WeakPolarHBondContact O-CB 3.35Å; F300-K303 PolarHBondContact O-N 2.91Å; F300-K303 VanDerWaalsContact O-N 3.08Å; F300-L304 HydrophobicContact CD1-CD1 4.03Å; F300-L304 HydrophobicContact CD1-CG 4.29Å; F300-L304 HydrophobicContact CE1-CD1 3.78Å; F300-L304 HydrophobicContact CE1-CD2 4.06Å; F300-L304 HydrophobicContact CE1-CG 3.94Å; F300-L304 HydrophobicContact CZ-CD2 4.1Å; F300-L304 HydrophobicContact CZ-CG 4.33Å; F300-L304 PolarHBondContact O-N 3.35Å; F300-W307 HydrophobicContact CE2-CH2 4.19Å; F300-W307 HydrophobicContact CE2-CZ3 4.33Å; F300-W307 HydrophobicContact CZ-CZ3 4.46Å
301K94.5Very high93.7Very high63 Ų6347.5 Ų47.527%0.27425%0.246SC..Hα-helixtrans-58.5-43.5172.1-77.2174176.5174.40111.9L297 D298 K303 L304 D305 F319L297-K301 HydrophobicContact CD1-CG 4.44Å; L297-K301 HydrophobicContact CG-CD 4.29Å; L297-K301 WeakPolarHBondContact O-CB 3.35Å; L297-K301 WeakPolarHBondContact O-CG 2.95Å; L297-K301 PolarHBondContact O-N 3.25Å; D298-K301 PolarHBondContact O-N 3.48Å; K301-K303 VanDerWaalsContact C-N 3.27Å; K301-K303 PolarHBondContact O-N 2.69Å; K301-L304 WeakPolarHBondContact O-CB 3.43Å; K301-L304 PolarHBondContact O-N 3.16Å; K301-L304 VanDerWaalsContact O-N 3.09Å; K301-D305 PolarHBondContact O-N 3.01Å; K301-F319 HydrophobicContact CD-CZ 4.3Å; K301-F319 HydrophobicContact CG-CE1 4.16Å; K301-F319 HydrophobicContact CG-CZ 3.75Å
302K96.2Very high93.9Very high126 Ų12649.7 Ų49.755%0.54827%0.269SS..Hα-helixtrans-59.1-37173.8-67.6169-159.11590112.6D298 D299 F300 Q306D298-K302 WeakPolarHBondContact O-CG 3.47Å; D298-K302 PolarHBondContact O-N 3.3Å; D299-K302 PolarHBondContact O-N 2.72Å; D299-K302 IonicContact OD1-NZ 3.45Å; D299-K302 PolarHBondContact OD1-NZ 2.76Å; F300-K302 VanDerWaalsContact C-N 3.34Å; F300-K302 PolarHBondContact O-N 3.01Å; K302-Q306 WeakPolarHBondContact O-CB 3.34Å; K302-Q306 PolarHBondContact O-N 2.76Å
303K97.3Very high94.1Very high80 Ų8050.5 Ų50.535%0.34828%0.278SS..Hα-helixtrans-64.3-46.7173.4-71.5176.4177-68.90111.3F242 D299 F300 K301 D305 Q306 W307F242-K303 HydrophobicContact CE2-CD 4.44Å; D299-K303 PolarHBondContact O-N 2.76Å; D299-K303 VanDerWaalsContact O-N 3.15Å; F300-K303 HydrophobicContact CD2-CD 4.41Å; F300-K303 WeakPolarHBondContact O-CB 3.35Å; F300-K303 PolarHBondContact O-N 2.91Å; F300-K303 VanDerWaalsContact O-N 3.08Å; K301-K303 VanDerWaalsContact C-N 3.27Å; K301-K303 PolarHBondContact O-N 2.69Å; K303-D305 PolarHBondContact O-N 2.73Å; K303-Q306 PolarHBondContact O-N 3.09Å; K303-W307 HydrophobicContact CB-CH2 3.98Å; K303-W307 HydrophobicContact CB-CZ2 3.82Å; K303-W307 HydrophobicContact CB-CZ3 4.39Å; K303-W307 HydrophobicContact CD-CH2 4.47Å; K303-W307 HydrophobicContact CD-CZ2 4.27Å; K303-W307 HydrophobicContact CG-CZ2 4.41Å; K303-W307 VanDerWaalsContact O-CD2 3.22Å; K303-W307 PolarHBondContact O-N 3.09Å
304L97.8Very high94.5Very high1 Ų156.2 Ų56.21%0.00530%0.304CS..Hα-helixtrans-57.3-47.9176.5-66.7173.9000111.4I209 F235 I239 F300 K301 Q306 W307 A308 F317 F319I209-L304 HydrophobicContact CD1-CD1 4.01Å; I209-L304 HydrophobicContact CD1-CD2 3.87Å; F235-L304 HydrophobicContact CZ-CD2 4.03Å; I239-L304 HydrophobicContact CD1-CD2 4.46Å; F300-L304 HydrophobicContact CD1-CD1 4.03Å; F300-L304 HydrophobicContact CD1-CG 4.29Å; F300-L304 HydrophobicContact CE1-CD1 3.78Å; F300-L304 HydrophobicContact CE1-CD2 4.06Å; F300-L304 HydrophobicContact CE1-CG 3.94Å; F300-L304 HydrophobicContact CZ-CD2 4.1Å; F300-L304 HydrophobicContact CZ-CG 4.33Å; F300-L304 PolarHBondContact O-N 3.35Å; K301-L304 WeakPolarHBondContact O-CB 3.43Å; K301-L304 PolarHBondContact O-N 3.16Å; K301-L304 VanDerWaalsContact O-N 3.09Å; L304-Q306 VanDerWaalsContact C-N 3.34Å; L304-Q306 PolarHBondContact O-N 3.16Å; L304-W307 HydrophobicContact CD2-CE3 3.92Å; L304-W307 HydrophobicContact CD2-CZ3 3.84Å; L304-W307 PolarHBondContact O-N 3.43Å; L304-A308 WeakPolarHBondContact O-CB 3.15Å; L304-A308 PolarHBondContact O-N 3.5Å; L304-F317 HydrophobicContact CB-CE1 3.98Å; L304-F317 HydrophobicContact CB-CE2 4.12Å; L304-F317 HydrophobicContact CB-CZ 3.72Å; L304-F317 HydrophobicContact CD2-CE1 4.2Å; L304-F317 HydrophobicContact CG-CE1 4.48Å; L304-F317 WeakPolarHBondContact O-CZ 3.35Å; L304-F319 HydrophobicContact CD1-CE1 4.2Å; L304-F319 HydrophobicContact CD1-CZ 3.88Å
305D98Very high95Very high94 Ų9453.5 Ų53.550%0.50328%0.283SS..Hα-helixtrans-60.6-42.8178.2-66.9-26.9000111.7K301 K303 A308 L309K301-D305 PolarHBondContact O-N 3.01Å; K303-D305 PolarHBondContact O-N 2.73Å; D305-A308 PolarHBondContact O-N 3.04Å; D305-L309 WeakPolarHBondContact O-CB 3.21Å; D305-L309 PolarHBondContact O-N 3.31Å
306Q98.2Very high95.5Very high97 Ų9758 Ų5845%0.45330%0.303SS..Hα-helixtrans-65.1-40.3177-174.261.264.100112.1K302 K303 L304 L309 N310K302-Q306 WeakPolarHBondContact O-CB 3.34Å; K302-Q306 PolarHBondContact O-N 2.76Å; K303-Q306 PolarHBondContact O-N 3.09Å; L304-Q306 VanDerWaalsContact C-N 3.34Å; L304-Q306 PolarHBondContact O-N 3.16Å; Q306-L309 PolarHBondContact O-N 3.27Å; Q306-N310 PolarHBondContact NE2-OD1 3.21Å; Q306-N310 PolarHBondContact O-N 3.16Å; Q306-N310 PolarHBondContact O-OD1 3.37Å
307W98.5Very high95.9Very high25 Ų2558.6 Ų58.610%0.09530%0.302CS..Hα-helixtrans-68.2-37.3176.7-59.3-25.6000112F235 H238 I239 F242 F300 K303 L304 N310 A311F235-W307 HydrophobicContact CD2-CB 3.89Å; F235-W307 HydrophobicContact CE2-CB 3.89Å; F235-W307 HydrophobicContact CE2-CE3 4.4Å; F235-W307 HydrophobicContact CZ-CE3 4.47Å; H238-W307 HydrophobicContact CB-CB 3.95Å; H238-W307 HydrophobicContact CB-CD2 4.05Å; H238-W307 HydrophobicContact CB-CG 3.58Å; H238-W307 AromaticContact CG-CD1 3.78Å; I239-W307 HydrophobicContact CB-CE3 4.15Å; I239-W307 HydrophobicContact CB-CZ3 4.03Å; I239-W307 HydrophobicContact CD1-CZ3 4.21Å; I239-W307 HydrophobicContact CG1-CE3 4.29Å; I239-W307 HydrophobicContact CG1-CH2 4.38Å; I239-W307 HydrophobicContact CG1-CZ3 3.72Å; F242-W307 HydrophobicContact CB-CH2 3.74Å; F242-W307 HydrophobicContact CB-CZ2 3.7Å; F242-W307 AromaticContact CD1-CH2 3.94Å; F242-W307 HydrophobicContact CD1-CH2 3.94Å; F242-W307 HydrophobicContact CD2-CH2 4.44Å; F242-W307 HydrophobicContact CD2-CZ2 4.43Å; F242-W307 AromaticContact CG-CH2 3.77Å; F242-W307 HydrophobicContact CG-CH2 3.77Å; F242-W307 HydrophobicContact CG-CZ2 4.01Å; F300-W307 HydrophobicContact CE2-CH2 4.19Å; F300-W307 HydrophobicContact CE2-CZ3 4.33Å; F300-W307 HydrophobicContact CZ-CZ3 4.46Å; K303-W307 HydrophobicContact CB-CH2 3.98Å; K303-W307 HydrophobicContact CB-CZ2 3.82Å; K303-W307 HydrophobicContact CB-CZ3 4.39Å; K303-W307 HydrophobicContact CD-CH2 4.47Å; K303-W307 HydrophobicContact CD-CZ2 4.27Å; K303-W307 HydrophobicContact CG-CZ2 4.41Å; K303-W307 VanDerWaalsContact O-CD2 3.22Å; K303-W307 PolarHBondContact O-N 3.09Å; L304-W307 HydrophobicContact CD2-CE3 3.92Å; L304-W307 HydrophobicContact CD2-CZ3 3.84Å; L304-W307 PolarHBondContact O-N 3.43Å; W307-N310 PolarHBondContact O-N 2.79Å; W307-A311 WeakPolarHBondContact O-CB 3.33Å; W307-A311 PolarHBondContact O-N 2.93Å
308A98.1Very high96.3Very high8 Ų862.8 Ų62.87%0.06632%0.321CS..Hα-helixtrans-63.1-42.5173.300000112L304 D305 A311 G312 G313 I315 F317L304-A308 WeakPolarHBondContact O-CB 3.15Å; L304-A308 PolarHBondContact O-N 3.5Å; D305-A308 PolarHBondContact O-N 3.04Å; A308-A311 PolarHBondContact O-N 2.92Å; A308-G312 PolarHBondContact O-N 3.26Å; A308-G313 PolarHBondContact O-N 2.85Å; A308-I315 HydrophobicContact CB-CB 3.9Å; A308-I315 HydrophobicContact CB-CD1 4.08Å; A308-I315 HydrophobicContact CB-CG2 4.12Å; A308-F317 HydrophobicContact CB-CE2 3.9Å; A308-F317 HydrophobicContact CB-CZ 3.83Å
309L97.7Very high96.5Very high118 Ų11862.1 Ų62.162%0.61832%0.315SS*.Hα-helixtrans-62.3-46.1175.3-175.865.4000111.5D305 Q306 A311 G312D305-L309 WeakPolarHBondContact O-CB 3.21Å; D305-L309 PolarHBondContact O-N 3.31Å; Q306-L309 PolarHBondContact O-N 3.27Å; L309-A311 PolarHBondContact O-N 3.34Å; L309-G312 PolarHBondContact O-N 3.05Å
310N97.5Very high96.3Very high78 Ų7862.7 Ų62.742%0.41732%0.321SS..Hα-helixtrans-62.7-28.3177.9-67.6-5.2000112.9H238 Q306 W307 G312H238-N310 WeakPolarHBondContact NE2-CB 3.45Å; H238-N310 PolarHBondContact NE2-ND2 3.33Å; Q306-N310 PolarHBondContact NE2-OD1 3.21Å; Q306-N310 PolarHBondContact O-N 3.16Å; Q306-N310 PolarHBondContact O-OD1 3.37Å; W307-N310 PolarHBondContact O-N 2.79Å; N310-G312 VanDerWaalsContact C-N 3.25Å; N310-G312 PolarHBondContact O-N 2.94Å
311A97.3Very high95.9Very high5 Ų564.9 Ų64.94%0.04133%0.332CS..THydrogen-bonded Turntrans-81.12.3175.600000113.8K231 I234 F235 W307 A308 L309 I315K231-A311 WeakPolarHBondContact CG-O 3.36Å; I234-A311 HydrophobicContact CB-CB 3.98Å; I234-A311 HydrophobicContact CG2-CB 3.91Å; F235-A311 HydrophobicContact CB-CB 4.2Å; W307-A311 WeakPolarHBondContact O-CB 3.33Å; W307-A311 PolarHBondContact O-N 2.93Å; A308-A311 PolarHBondContact O-N 2.92Å; L309-A311 PolarHBondContact O-N 3.34Å; A311-I315 HydrophobicContact CB-CD1 3.63Å
312G94.9Very high95.2Very high47 Ų4764.4 Ų64.449%0.48534%0.335SS..THydrogen-bonded Turntrans96.19.9177.800000115.1A308 L309 N310A308-G312 PolarHBondContact O-N 3.26Å; L309-G312 PolarHBondContact O-N 3.05Å; N310-G312 VanDerWaalsContact C-N 3.25Å; N310-G312 PolarHBondContact O-N 2.94Å
313G94.1Very high93.9Very high19 Ų1959.4 Ų59.420%0.19632%0.319CS..SBendtrans69.9-169.8175.800000114.9K231 A308 I315K231-G313 WeakPolarHBondContact CD-O 3.4Å; K231-G313 WeakPolarHBondContact CE-O 3.49Å; K231-G313 PolarHBondContact NZ-O 2.92Å; A308-G313 PolarHBondContact O-N 2.85Å; G313-I315 VanDerWaalsContact C-N 3.27Å; G313-I315 PolarHBondContact O-N 3.4Å
314Q96.5Very high92.3Very high129 Ų12957.8 Ų57.860%0.60332%0.316SS*.  trans53.346.2-167.7-44.6172.1-75.600112H214H214-Q314 HydrophobicContact CB-CB 4.15Å; H214-Q314 PolarHBondContact N-O 3.47Å
315I98.2Very high90.4Very high21 Ų2159.6 Ų59.611%0.10833%0.325CS..EExtended strand (participates in β ladder)trans-119.8125.1174.6-65169000106.5V211 H212 F213 K231 A308 A311 G313 F317V211-I315 HydrophobicContact CG1-CG2 3.38Å; H212-I315 CarbonylContact O-C 3.57Å; H212-I315 VanDerWaalsContact O-CA 3.24Å; H212-I315 WeakPolarHBondContact O-CA 3.48Å; F213-I315 HydrophobicContact CD1-CD1 3.74Å; F213-I315 HydrophobicContact CD1-CG1 3.7Å; F213-I315 HydrophobicContact CD1-CG2 4.22Å; F213-I315 HydrophobicContact CE1-CD1 3.91Å; F213-I315 HydrophobicContact CE1-CG1 4.2Å; F213-I315 HydrophobicContact CE1-CG2 4.11Å; K231-I315 HydrophobicContact CB-CD1 4.36Å; A308-I315 HydrophobicContact CB-CB 3.9Å; A308-I315 HydrophobicContact CB-CD1 4.08Å; A308-I315 HydrophobicContact CB-CG2 4.12Å; A311-I315 HydrophobicContact CB-CD1 3.63Å; G313-I315 VanDerWaalsContact C-N 3.27Å; G313-I315 PolarHBondContact O-N 3.4Å; I315-F317 HydrophobicContact CG2-CE1 4.33Å; I315-F317 HydrophobicContact CG2-CZ 4.11Å
316E97.8Very high88.5Confident121 Ų12155.5 Ų55.557%0.56530%0.304SS*.EExtended strand (participates in β ladder)trans-110.6141.1-179.5-59-178.417500109.9V211 H212V211-E316 WeakPolarHBondContact CA-O 3.28Å; H212-E316 HydrophobicContact CB-CB 4.28Å; H212-E316 PolarHBondContact N-O 3.4Å; H212-E316 PolarHBondContact O-N 3.49Å
317F97.7Very high86.5Confident44 Ų4459.4 Ų59.419%0.19332%0.319CS..EExtended strand (participates in β ladder)trans-110.4116.8178.8-61.5-74.4000109.9V211 F235 L304 A308 I315 F319V211-F317 HydrophobicContact CB-CD1 4.44Å; V211-F317 HydrophobicContact CB-CE1 4.47Å; V211-F317 HydrophobicContact CG1-CD1 4.02Å; V211-F317 HydrophobicContact CG1-CE1 3.73Å; V211-F317 HydrophobicContact CG2-CD1 3.91Å; V211-F317 HydrophobicContact CG2-CE1 3.97Å; F235-F317 AromaticContact CE2-CE1 3.83Å; F235-F317 HydrophobicContact CE2-CE1 3.83Å; F235-F317 AromaticContact CE2-CZ 3.84Å; F235-F317 HydrophobicContact CE2-CZ 3.84Å; F235-F317 AromaticContact CZ-CE1 3.82Å; F235-F317 HydrophobicContact CZ-CE1 3.82Å; F235-F317 HydrophobicContact CZ-CZ 4.31Å; L304-F317 HydrophobicContact CB-CE1 3.98Å; L304-F317 HydrophobicContact CB-CE2 4.12Å; L304-F317 HydrophobicContact CB-CZ 3.72Å; L304-F317 HydrophobicContact CD2-CE1 4.2Å; L304-F317 HydrophobicContact CG-CE1 4.48Å; L304-F317 WeakPolarHBondContact O-CZ 3.35Å; A308-F317 HydrophobicContact CB-CE2 3.9Å; A308-F317 HydrophobicContact CB-CZ 3.83Å; I315-F317 HydrophobicContact CG2-CE1 4.33Å; I315-F317 HydrophobicContact CG2-CZ 4.11Å; F317-F319 HydrophobicContact CB-CD2 4.28Å; F317-F319 HydrophobicContact CB-CE2 3.7Å; F317-F319 HydrophobicContact CB-CZ 4.37Å
318E96.7Very high84.8Confident95 Ų9561.6 Ų61.644%0.44433%0.33SS..EExtended strand (participates in β ladder)trans-98.2113167179.8-166.3-168.300108.5I209 N210 H212 V320I209-E318 CarbonylContact C-O 3.44Å; I209-E318 VanDerWaalsContact CA-O 3.31Å; I209-E318 WeakPolarHBondContact CA-O 3.16Å; N210-E318 HydrophobicContact CB-CB 4.18Å; N210-E318 PolarHBondContact N-O 3.33Å; N210-E318 PolarHBondContact ND2-OE2 3.42Å; N210-E318 PolarHBondContact O-N 2.95Å; H212-E318 IonicContact NE2-OE2 3.09Å; E318-V320 HydrophobicContact CG-CG2 4.5Å; E318-V320 PolarHBondContact O-N 3.28Å
319F92.9Very high83.1Confident64 Ų6465.9 Ų65.928%0.28136%0.359SS..EExtended strand (participates in β ladder)trans-87.198.4174.8-69.5-97.3000109.8V207 I209 K301 L304 F317 N321 T322V207-F319 HydrophobicContact CG1-CD1 4.27Å; V207-F319 HydrophobicContact CG1-CE1 4.36Å; I209-F319 HydrophobicContact CG2-CD1 3.42Å; I209-F319 VanDerWaalsContact CG2-CD1 3.42Å; I209-F319 HydrophobicContact CG2-CE1 3.52Å; I209-F319 HydrophobicContact CG2-CG 4.06Å; I209-F319 HydrophobicContact CG2-CZ 4.21Å; K301-F319 HydrophobicContact CD-CZ 4.3Å; K301-F319 HydrophobicContact CG-CE1 4.16Å; K301-F319 HydrophobicContact CG-CZ 3.75Å; L304-F319 HydrophobicContact CD1-CE1 4.2Å; L304-F319 HydrophobicContact CD1-CZ 3.88Å; F317-F319 HydrophobicContact CB-CD2 4.28Å; F317-F319 HydrophobicContact CB-CE2 3.7Å; F317-F319 HydrophobicContact CB-CZ 4.37Å; F319-N321 VanDerWaalsContact C-N 3.33Å; F319-T322 HydrophobicContact CB-CG2 3.62Å; F319-T322 HydrophobicContact CD1-CG2 3.86Å; F319-T322 HydrophobicContact CG-CG2 3.97Å
320V89.5Confident81.7Confident81 Ų8162 Ų6249%0.49134%0.341SS..EExtended strand (participates in β ladder)trans-69.1-36.9176.6-177.60000110.7W208 N210 E318W208-V320 HydrophobicContact CB-CB 4.13Å; W208-V320 HydrophobicContact CE3-CG1 4.4Å; W208-V320 PolarHBondContact O-N 3.24Å; N210-V320 VanDerWaalsContact ND2-CG2 3.35Å; N210-V320 WeakPolarHBondContact ND2-CG2 3.43Å; E318-V320 HydrophobicContact CG-CG2 4.5Å; E318-V320 PolarHBondContact O-N 3.28Å
321N84.3Confident80.8Confident46 Ų4664.6 Ų64.625%0.24635%0.353CS..EExtended strand (participates in β ladder)trans-143.6129.7172.9-174.411.6000108.7P206 V207 W208 F319 G323P206-N321 PolarHBondContact O-ND2 2.76Å; V207-N321 CarbonylContact C-O 3.58Å; V207-N321 VanDerWaalsContact CA-O 3.29Å; V207-N321 WeakPolarHBondContact CA-O 3.32Å; W208-N321 HydrophobicContact CB-CB 4.02Å; W208-N321 HydrophobicContact CD2-CB 3.93Å; W208-N321 HydrophobicContact CE3-CB 3.72Å; W208-N321 HydrophobicContact CG-CB 4.08Å; W208-N321 HydrophobicContact CZ3-CB 4.46Å; W208-N321 PolarHBondContact N-O 3.45Å; W208-N321 PolarHBondContact O-N 2.83Å; F319-N321 VanDerWaalsContact C-N 3.33Å; N321-G323 PolarHBondContact OD1-N 2.8Å
322T79.6Confident80.2Confident54 Ų5468.2 Ų68.233%0.33138%0.375SS..  trans-102.6-4.1174.752.30000112.8L297 F319L297-T322 HydrophobicContact CD2-CG2 4.26Å; F319-T322 HydrophobicContact CB-CG2 3.62Å; F319-T322 HydrophobicContact CD1-CG2 3.86Å; F319-T322 HydrophobicContact CG-CG2 3.97Å
323G69.4Low79.9Confident20 Ų2066.8 Ų66.821%0.20636%0.357CS..  trans54.3-146.4-156.700000109.9P206 N321P206-G323 PolarHBondContact O-N 2.72Å; N321-G323 PolarHBondContact OD1-N 2.8Å
324V64.1Low79.8Confident47 Ų4769.5 Ų69.529%0.28537%0.367SS..  trans-120.2141.2173.3-179.10000109.9R205 L326 E371R205-V324 WeakPolarHBondContact CD-O 3.34Å; R205-V324 PolarHBondContact NE-O 3.17Å; V324-L326 PolarHBondContact O-N 3.33Å; V324-E371 HydrophobicContact CB-CG 4.48Å; V324-E371 WeakPolarHBondContact CB-OE1 3.06Å; V324-E371 WeakPolarHBondContact CB-OE2 3.31Å; V324-E371 HydrophobicContact CG1-CB 4.38Å; V324-E371 HydrophobicContact CG1-CG 3.89Å; V324-E371 WeakPolarHBondContact CG1-OE1 3.18Å; V324-E371 WeakPolarHBondContact CG1-OE2 3.32Å; V324-E371 WeakPolarHBondContact CG2-OE2 3.32Å
325D58.4Low79.5Confident39 Ų3966.8 Ų66.821%0.20935%0.354CS..  trans-84.6101.8-174.2-177.733.7000110.9K327D325-K327 PolarHBondContact O-N 3.05Å; D325-K327 VanDerWaalsContact O-N 3.16Å
326L57.1Low79.2Confident8 Ų870.4 Ų70.44%0.04238%0.382CS..  trans-76.1102.9168.4-58.5-172.7000108.5R205 V324 H328 E371R205-L326 VanDerWaalsContact NH2-CB 3.27Å; V324-L326 PolarHBondContact O-N 3.33Å; L326-H328 VanDerWaalsContact CD1-CE1 3.43Å; L326-H328 WeakPolarHBondContact CD1-CE1 3.4Å; L326-H328 VanDerWaalsContact CD2-CE1 3.41Å; L326-H328 WeakPolarHBondContact CD2-CE1 3.47Å; L326-H328 PolarHBondContact O-N 3.35Å; L326-E371 HydrophobicContact CD2-CG 3.61Å; L326-E371 VanDerWaalsContact CD2-OE1 3.24Å; L326-E371 WeakPolarHBondContact CD2-OE1 3.34Å
327K57Low79Confident178 Ų17870 Ų7077%0.77439%0.387SS*.  trans-69.813.5168.9-63.3-171.3177.1-174.60113.6D325D325-K327 PolarHBondContact O-N 3.05Å; D325-K327 VanDerWaalsContact O-N 3.16Å
328H62.2Low78.9Confident71 Ų7168.7 Ų68.733%0.32938%0.382SS..SBendtrans-118.7147.1-175.365.3-102.5000112L326L326-H328 VanDerWaalsContact CD1-CE1 3.43Å; L326-H328 WeakPolarHBondContact CD1-CE1 3.4Å; L326-H328 VanDerWaalsContact CD2-CE1 3.41Å; L326-H328 WeakPolarHBondContact CD2-CE1 3.47Å; L326-H328 PolarHBondContact O-N 3.35Å
329S62Low78.8Confident98 Ų9867.5 Ų67.569%0.68538%0.383SS*.  trans-65.7137.4173.3-550000110.6I331S329-I331 PolarHBondContact O-N 2.9Å
330V69Low79Confident38 Ų3865.8 Ų65.823%0.2338%0.375CS..  trans-67118.8169.9-176.50000108.9Y201 P293 I359Y201-V330 HydrophobicContact CD2-CG1 4.49Å; Y201-V330 HydrophobicContact CE2-CG1 3.67Å; P293-V330 HydrophobicContact CB-CG2 3.39Å; P293-V330 HydrophobicContact CG-CG1 4.44Å; P293-V330 HydrophobicContact CG-CG2 3.71Å; P293-V330 VanDerWaalsContact O-CG2 3.22Å; P293-V330 WeakPolarHBondContact O-CG2 3.34Å; V330-I359 HydrophobicContact CG1-CD1 4.29Å
331I77.8Confident79.4Confident132 Ų13262.1 Ų62.168%0.67735%0.352SS*.  trans-116.9115.9176.9-60.4172.3000107.4S329 P333S329-I331 PolarHBondContact O-N 2.9Å; I331-P333 WeakPolarHBondContact O-CD 3.46Å
332T85.4Confident80Confident81 Ų8160.9 Ų60.950%0.49735%0.348SS..  trans-56.2123.9167.7-55.20000108.4Y201 D334 K357Y201-T332 HydrophobicContact CE1-CG2 4.47Å; T332-D334 PolarHBondContact O-N 3.22Å; T332-K357 HydrophobicContact CG2-CD 4.12Å
333P88.5Confident80.9Confident16 Ų1659.1 Ų59.110%0.10434%0.337CS..  trans-60.9139.2-176.7-27.436.8000112.4Y201 I331 W341 K357Y201-P333 HydrophobicContact CD2-CG 4.45Å; Y201-P333 VanDerWaalsContact CG-CD 3.48Å; Y201-P333 HydrophobicContact CG-CG 3.97Å; I331-P333 WeakPolarHBondContact O-CD 3.46Å; P333-W341 HydrophobicContact CB-CB 4.41Å; P333-W341 HydrophobicContact CB-CD2 3.66Å; P333-W341 HydrophobicContact CB-CG 3.53Å; P333-W341 HydrophobicContact CB-CZ2 4.37Å; P333-W341 VanDerWaalsContact CB-NE1 3.31Å; P333-W341 HydrophobicContact CG-CD2 4.05Å; P333-W341 VanDerWaalsContact CG-CE2 3.41Å; P333-W341 HydrophobicContact CG-CG 4.3Å; P333-W341 HydrophobicContact CG-CZ2 3.82Å; P333-W341 VanDerWaalsContact CG-NE1 3.27Å; P333-K357 PolarHBondContact O-NZ 2.86Å
334D90.9Very high82.3Confident76 Ų7658.2 Ų58.241%0.40633%0.328SS..  trans-109.9119.2176.9178.6-7.8000110.1T332 S336 T337 N338T332-D334 PolarHBondContact O-N 3.22Å; D334-S336 PolarHBondContact O-N 2.97Å; D334-S336 VanDerWaalsContact OD1-CB 3.32Å; D334-S336 WeakPolarHBondContact OD1-CB 2.93Å; D334-S336 PolarHBondContact OD1-N 3.4Å; D334-S336 PolarHBondContact OD1-OG 2.95Å; D334-S336 PolarHBondContact OD2-OG 3.14Å; D334-T337 PolarHBondContact O-N 3.29Å; D334-T337 VanDerWaalsContact O-N 3.14Å; D334-T337 PolarHBondContact O-OG1 2.76Å; D334-N338 WeakPolarHBondContact O-CB 3.44Å; D334-N338 PolarHBondContact O-N 3.04Å
335E91.5Very high83.9Confident72 Ų7257.6 Ų57.634%0.33632%0.323SS..THydrogen-bonded Turntrans-60.6-27.6-179.1-60.189.4157.100112.8T337 A342 I345 K357E335-T337 PolarHBondContact O-N 3.22Å; E335-A342 HydrophobicContact CB-CB 4.23Å; E335-A342 WeakPolarHBondContact O-CB 3.29Å; E335-I345 HydrophobicContact CG-CD1 3.47Å; E335-I345 VanDerWaalsContact CG-CD1 3.47Å; E335-I345 WeakPolarHBondContact OE1-CD1 3.45Å; E335-K357 WeakPolarHBondContact OE1-CE 3.48Å; E335-K357 IonicContact OE1-NZ 3.6Å; E335-K357 PolarHBondContact OE1-NZ 2.88Å; E335-K357 IonicContact OE2-NZ 3.25Å; E335-K357 PolarHBondContact OE2-NZ 3.37Å
336S92Very high85.8Confident98 Ų9860.4 Ų60.469%0.68534%0.338SS*.THydrogen-bonded Turntrans-69.8-23.9179.372.30000112.6D334D334-S336 PolarHBondContact O-N 2.97Å; D334-S336 VanDerWaalsContact OD1-CB 3.32Å; D334-S336 WeakPolarHBondContact OD1-CB 2.93Å; D334-S336 PolarHBondContact OD1-N 3.4Å; D334-S336 PolarHBondContact OD1-OG 2.95Å; D334-S336 PolarHBondContact OD2-OG 3.14Å
337T93.4Very high87.7Confident111 Ų11160.2 Ų60.268%0.68134%0.337SS*.THydrogen-bonded Turntrans-115.8-11.5-178.360.60000113.2D334 E335D334-T337 PolarHBondContact O-N 3.29Å; D334-T337 VanDerWaalsContact O-N 3.14Å; D334-T337 PolarHBondContact O-OG1 2.76Å; E335-T337 PolarHBondContact O-N 3.22Å
338N94.1Very high89.7Confident17 Ų1751.8 Ų51.89%0.09130%0.3CS..  trans-120.399.3-174.4-167.2-36.3000112D334 W340 W341 A342 Q385D334-N338 WeakPolarHBondContact O-CB 3.44Å; D334-N338 PolarHBondContact O-N 3.04Å; N338-W340 VanDerWaalsContact C-N 3.27Å; N338-W340 PolarHBondContact O-N 3.13Å; N338-W340 WeakPolarHBondContact OD1-CB 3.35Å; N338-W340 PolarHBondContact OD1-N 3.4Å; N338-W341 HydrophobicContact CB-CB 4.16Å; N338-W341 VanDerWaalsContact ND2-CD1 3.34Å; N338-W341 PolarHBondContact O-N 3.31Å; N338-W341 PolarHBondContact OD1-N 2.82Å; N338-A342 PolarHBondContact O-N 2.97Å; N338-Q385 PolarHBondContact ND2-NE2 2.98Å; N338-Q385 PolarHBondContact ND2-OE1 3.47Å; N338-Q385 PolarHBondContact OD1-OE1 3.23Å
339P96.4Very high91.4Very high70 Ų7052.2 Ų52.246%0.45531%0.311SS..Hα-helixtrans-65.5-27.2-175.925.9-34.4000113.5T343 L428P339-T343 VanDerWaalsContact O-CB 3.28Å; P339-T343 WeakPolarHBondContact O-CB 3.36Å; P339-T343 PolarHBondContact O-N 3.3Å; P339-T343 PolarHBondContact O-OG1 2.65Å; P339-L428 HydrophobicContact CB-CD1 4.31Å; P339-L428 HydrophobicContact CB-CD2 4.37Å
340W96.5Very high93.1Very high28 Ų2855.7 Ų55.711%0.10631%0.314CS..Hα-helixtrans-66.2-48176.1-53.5116.5000111I76 F184 N338 T343 L344 L425 L428I76-W340 HydrophobicContact CD1-CZ3 4.21Å; I76-W340 HydrophobicContact CG1-CH2 4.44Å; I76-W340 HydrophobicContact CG1-CZ3 4.17Å; F184-W340 HydrophobicContact CB-CD2 3.84Å; F184-W340 HydrophobicContact CB-CE3 3.96Å; F184-W340 HydrophobicContact CB-CG 4.44Å; F184-W340 HydrophobicContact CB-CH2 4.05Å; F184-W340 HydrophobicContact CB-CZ2 3.93Å; F184-W340 HydrophobicContact CB-CZ3 4.06Å; F184-W340 HydrophobicContact CD1-CD2 4.37Å; F184-W340 AromaticContact CD1-CE3 3.96Å; F184-W340 HydrophobicContact CD1-CE3 3.96Å; F184-W340 HydrophobicContact CD1-CZ3 4.36Å; F184-W340 HydrophobicContact CD2-CB 3.73Å; F184-W340 AromaticContact CD2-CD2 3.8Å; F184-W340 HydrophobicContact CD2-CD2 3.8Å; F184-W340 HydrophobicContact CD2-CE3 4.21Å; F184-W340 AromaticContact CD2-CG 3.58Å; F184-W340 HydrophobicContact CD2-CG 3.58Å; F184-W340 HydrophobicContact CE2-CB 3.6Å; F184-W340 HydrophobicContact CE2-CD2 4.49Å; F184-W340 HydrophobicContact CE2-CG 4.01Å; F184-W340 HydrophobicContact CG-CB 4.44Å; F184-W340 AromaticContact CG-CD2 3.73Å; F184-W340 HydrophobicContact CG-CD2 3.73Å; F184-W340 AromaticContact CG-CE3 3.76Å; F184-W340 HydrophobicContact CG-CE3 3.76Å; F184-W340 HydrophobicContact CG-CG 4.05Å; F184-W340 HydrophobicContact CG-CZ3 4.27Å; F184-W340 HydrophobicContact CZ-CB 4.21Å; N338-W340 VanDerWaalsContact C-N 3.27Å; N338-W340 PolarHBondContact O-N 3.13Å; N338-W340 WeakPolarHBondContact OD1-CB 3.35Å; N338-W340 PolarHBondContact OD1-N 3.4Å; W340-T343 PolarHBondContact O-N 3.3Å; W340-L344 PolarHBondContact O-N 2.78Å; W340-L425 HydrophobicContact CE3-CD2 3.75Å; W340-L425 HydrophobicContact CZ3-CB 4.37Å; W340-L425 HydrophobicContact CZ3-CD2 4.42Å; W340-L428 HydrophobicContact CD2-CD1 4.19Å; W340-L428 HydrophobicContact CE3-CD1 3.47Å; W340-L428 VanDerWaalsContact CE3-CD1 3.47Å; W340-L428 HydrophobicContact CH2-CD1 4.43Å; W340-L428 HydrophobicContact CZ3-CD1 3.61Å
341W96.9Very high94.4Very high4 Ų455.6 Ų55.62%0.01531%0.311CS..Hα-helixtrans-66.9-42.5176.8-85.888.8000112.8A199 P333 N338 T343 L344 I345 V355 K357 I387A199-W341 HydrophobicContact CB-CH2 3.6Å; A199-W341 HydrophobicContact CB-CZ3 3.71Å; P333-W341 HydrophobicContact CB-CB 4.41Å; P333-W341 HydrophobicContact CB-CD2 3.66Å; P333-W341 HydrophobicContact CB-CG 3.53Å; P333-W341 HydrophobicContact CB-CZ2 4.37Å; P333-W341 VanDerWaalsContact CB-NE1 3.31Å; P333-W341 HydrophobicContact CG-CD2 4.05Å; P333-W341 VanDerWaalsContact CG-CE2 3.41Å; P333-W341 HydrophobicContact CG-CG 4.3Å; P333-W341 HydrophobicContact CG-CZ2 3.82Å; P333-W341 VanDerWaalsContact CG-NE1 3.27Å; N338-W341 HydrophobicContact CB-CB 4.16Å; N338-W341 VanDerWaalsContact ND2-CD1 3.34Å; N338-W341 PolarHBondContact O-N 3.31Å; N338-W341 PolarHBondContact OD1-N 2.82Å; W341-T343 PolarHBondContact O-N 3Å; W341-L344 HydrophobicContact CE3-CD2 4.29Å; W341-L344 HydrophobicContact CZ3-CD2 4.09Å; W341-L344 PolarHBondContact O-N 3.45Å; W341-I345 HydrophobicContact CE3-CD1 4.16Å; W341-I345 WeakPolarHBondContact O-CB 3.26Å; W341-I345 WeakPolarHBondContact O-CG1 3.3Å; W341-I345 PolarHBondContact O-N 2.87Å; W341-V355 HydrophobicContact CZ3-CG1 4.45Å; W341-K357 HydrophobicContact CE3-CD 4.18Å; W341-K357 HydrophobicContact CE3-CG 4.2Å; W341-K357 HydrophobicContact CH2-CG 4.16Å; W341-K357 HydrophobicContact CZ3-CB 4.45Å; W341-K357 HydrophobicContact CZ3-CD 4.08Å; W341-K357 HydrophobicContact CZ3-CG 3.63Å; W341-I387 HydrophobicContact CD2-CD1 3.87Å; W341-I387 HydrophobicContact CE3-CD1 4.49Å; W341-I387 HydrophobicContact CG-CD1 4.21Å; W341-I387 HydrophobicContact CH2-CD1 4.25Å; W341-I387 HydrophobicContact CH2-CG2 3.91Å; W341-I387 HydrophobicContact CZ2-CB 4.38Å; W341-I387 HydrophobicContact CZ2-CD1 3.54Å; W341-I387 HydrophobicContact CZ2-CG1 3.68Å; W341-I387 HydrophobicContact CZ2-CG2 3.83Å; W341-I387 VanDerWaalsContact NE1-CD1 3.35Å
342A97.8Very high95.2Very high21 Ų2152.3 Ų52.317%0.17431%0.31CS..Hα-helixtrans-57-42.8174.100000111.2E335 N338 N346E335-A342 HydrophobicContact CB-CB 4.23Å; E335-A342 WeakPolarHBondContact O-CB 3.29Å; N338-A342 PolarHBondContact O-N 2.97Å; A342-N346 WeakPolarHBondContact O-CB 3.33Å; A342-N346 PolarHBondContact O-N 2.88Å; A342-N346 PolarHBondContact O-ND2 2.93Å; A342-N346 VanDerWaalsContact O-ND2 3.08Å
343T98.3Very high95.8Very high16 Ų1648.7 Ų48.710%0.09829%0.288CS..Hα-helixtrans-65.7-48.5178.9-60.50000111.9P339 W340 W341 I345 N346 V347 A424 L425P339-T343 VanDerWaalsContact O-CB 3.28Å; P339-T343 WeakPolarHBondContact O-CB 3.36Å; P339-T343 PolarHBondContact O-N 3.3Å; P339-T343 PolarHBondContact O-OG1 2.65Å; W340-T343 PolarHBondContact O-N 3.3Å; W341-T343 PolarHBondContact O-N 3Å; T343-I345 VanDerWaalsContact C-N 3.33Å; T343-I345 PolarHBondContact O-N 2.76Å; T343-N346 PolarHBondContact O-N 3.01Å; T343-V347 HydrophobicContact CG2-CG2 4.41Å; T343-V347 VanDerWaalsContact O-CG2 3.31Å; T343-V347 WeakPolarHBondContact O-CG2 3.39Å; T343-V347 PolarHBondContact O-N 2.64Å; T343-A424 HydrophobicContact CG2-CB 3.55Å; T343-L425 HydrophobicContact CG2-CD2 3.75Å; T343-L425 HydrophobicContact CG2-CG 3.96Å
344L98.3Very high96.2Very high1 Ų155.4 Ų55.41%0.00532%0.315CS..Hα-helixtrans-54.7-49.6176.5175.861.3000111.4A199 W340 W341 V347 C348 I387 F389 L421A199-L344 HydrophobicContact CB-CD2 3.9Å; W340-L344 PolarHBondContact O-N 2.78Å; W341-L344 HydrophobicContact CE3-CD2 4.29Å; W341-L344 HydrophobicContact CZ3-CD2 4.09Å; W341-L344 PolarHBondContact O-N 3.45Å; L344-V347 PolarHBondContact O-N 3.15Å; L344-C348 WeakPolarHBondContact O-CB 3.35Å; L344-C348 PolarHBondContact O-N 2.82Å; L344-C348 PolarHBondContact O-SG 2.73Å; L344-I387 HydrophobicContact CD2-CD1 4.11Å; L344-I387 HydrophobicContact CD2-CG2 4.12Å; L344-F389 HydrophobicContact CD1-CD1 4.05Å; L344-F389 HydrophobicContact CD1-CD2 4.13Å; L344-F389 HydrophobicContact CD1-CE1 3.87Å; L344-F389 HydrophobicContact CD1-CE2 3.95Å; L344-F389 HydrophobicContact CD1-CG 4.17Å; L344-F389 HydrophobicContact CD1-CZ 3.83Å; L344-F389 HydrophobicContact CD2-CD2 4.44Å; L344-L421 HydrophobicContact CB-CD1 4.32Å; L344-L421 HydrophobicContact CD1-CD1 3.88Å; L344-L421 HydrophobicContact CD1-CD2 3.65Å; L344-L421 HydrophobicContact CD1-CG 4.44Å
345I98Very high96.5Very high35 Ų3552.8 Ų52.818%0.17930%0.302CS..Hα-helixtrans-67-43-177.3-72.4171.9000111.5E335 W341 T343 V347 C348 S349 V355E335-I345 HydrophobicContact CG-CD1 3.47Å; E335-I345 VanDerWaalsContact CG-CD1 3.47Å; E335-I345 WeakPolarHBondContact OE1-CD1 3.45Å; W341-I345 HydrophobicContact CE3-CD1 4.16Å; W341-I345 WeakPolarHBondContact O-CB 3.26Å; W341-I345 WeakPolarHBondContact O-CG1 3.3Å; W341-I345 PolarHBondContact O-N 2.87Å; T343-I345 VanDerWaalsContact C-N 3.33Å; T343-I345 PolarHBondContact O-N 2.76Å; I345-V347 VanDerWaalsContact C-N 3.35Å; I345-V347 PolarHBondContact O-N 2.89Å; I345-C348 PolarHBondContact O-N 3.38Å; I345-S349 VanDerWaalsContact O-CB 3.31Å; I345-S349 WeakPolarHBondContact O-CB 3.39Å; I345-S349 PolarHBondContact O-N 3.43Å; I345-V355 HydrophobicContact CG1-CB 4.03Å; I345-V355 HydrophobicContact CG1-CG2 4.1Å
346N98.3Very high96.7Very high97 Ų9752.2 Ų52.252%0.51930%0.299SS..Hα-helixtrans-62.9-41.1177.4-73.8-23.5000111.9A342 T343 K350A342-N346 WeakPolarHBondContact O-CB 3.33Å; A342-N346 PolarHBondContact O-N 2.88Å; A342-N346 PolarHBondContact O-ND2 2.93Å; A342-N346 VanDerWaalsContact O-ND2 3.08Å; T343-N346 PolarHBondContact O-N 3.01Å; N346-K350 WeakPolarHBondContact O-CG 3.48Å; N346-K350 PolarHBondContact O-N 3.26Å; N346-K350 VanDerWaalsContact O-N 3.11Å
347V98.4Very high96.8Very high5 Ų550.1 Ų50.13%0.0328%0.278CS..Hα-helixtrans-66.8-48.6177172.80000110.6T343 L344 I345 S349 K350 H351 L417 D420 L421 A424T343-V347 HydrophobicContact CG2-CG2 4.41Å; T343-V347 VanDerWaalsContact O-CG2 3.31Å; T343-V347 WeakPolarHBondContact O-CG2 3.39Å; T343-V347 PolarHBondContact O-N 2.64Å; L344-V347 PolarHBondContact O-N 3.15Å; I345-V347 VanDerWaalsContact C-N 3.35Å; I345-V347 PolarHBondContact O-N 2.89Å; V347-S349 VanDerWaalsContact C-N 3.27Å; V347-S349 PolarHBondContact O-N 3.06Å; V347-K350 WeakPolarHBondContact O-CB 3.22Å; V347-K350 PolarHBondContact O-N 3.23Å; V347-K350 VanDerWaalsContact O-N 3.11Å; V347-H351 PolarHBondContact O-CD2 2.77Å; V347-H351 PolarHBondContact O-N 3.41Å; V347-H351 VanDerWaalsContact O-N 3.17Å; V347-L417 HydrophobicContact CG1-CG 4.43Å; V347-D420 HydrophobicContact CG1-CB 3.89Å; V347-L421 HydrophobicContact CB-CD1 4.22Å; V347-L421 HydrophobicContact CG1-CB 4.01Å; V347-L421 HydrophobicContact CG1-CD1 4.47Å; V347-L421 HydrophobicContact CG2-CD1 4.31Å; V347-A424 HydrophobicContact CG2-CB 3.83Å
348C98.3Very high96.9Very high0 Ų048.6 Ų48.60%026%0.26CS..Hα-helixtrans-57.3-40.8176.2-72.10000112.5Y197 L344 I345 K350 H351 G352 S353 V355Y197-C348 HydrophobicContact CD2-CB 3.91Å; Y197-C348 HydrophobicContact CE2-CB 4.28Å; L344-C348 WeakPolarHBondContact O-CB 3.35Å; L344-C348 PolarHBondContact O-N 2.82Å; L344-C348 PolarHBondContact O-SG 2.73Å; I345-C348 PolarHBondContact O-N 3.38Å; C348-K350 PolarHBondContact O-N 3.33Å; C348-H351 CarbonylContact O-C 3.51Å; C348-H351 WeakPolarHBondContact O-CA 3.27Å; C348-H351 WeakPolarHBondContact O-CB 3.08Å; C348-H351 PolarHBondContact O-N 3.2Å; C348-G352 PolarHBondContact O-N 2.73Å; C348-S353 CarbonylContact C-O 3.57Å; C348-S353 PolarHBondContact O-N 3.03Å; C348-S353 VanDerWaalsContact O-N 3.16Å; C348-V355 HydrophobicContact CB-CG2 3.37Å; C348-V355 VanDerWaalsContact SG-CG2 3.5Å
349S97.8Very high96.8Very high80 Ų8048 Ų4856%0.55926%0.257SS*.Hα-helixtrans-63.2-39.1176.8-1800000112.6I345 V347 H351 G352 S353I345-S349 VanDerWaalsContact O-CB 3.31Å; I345-S349 WeakPolarHBondContact O-CB 3.39Å; I345-S349 PolarHBondContact O-N 3.43Å; V347-S349 VanDerWaalsContact C-N 3.27Å; V347-S349 PolarHBondContact O-N 3.06Å; S349-H351 PolarHBondContact O-N 3.42Å; S349-G352 WeakPolarHBondContact O-CA 3.41Å; S349-G352 PolarHBondContact O-N 2.63Å; S349-S353 WeakPolarHBondContact CA-O 3.26Å; S349-S353 PolarHBondContact N-O 2.95Å
350K97.7Very high96.6Very high172 Ų17245.4 Ų45.475%0.74824%0.238SC*.Hα-helixtrans-62.8-29.3172.6-71171.6-177.5178.10112.6N346 V347 C348 G352N346-K350 WeakPolarHBondContact O-CG 3.48Å; N346-K350 PolarHBondContact O-N 3.26Å; N346-K350 VanDerWaalsContact O-N 3.11Å; V347-K350 WeakPolarHBondContact O-CB 3.22Å; V347-K350 PolarHBondContact O-N 3.23Å; V347-K350 VanDerWaalsContact O-N 3.11Å; C348-K350 PolarHBondContact O-N 3.33Å; K350-G352 PolarHBondContact O-N 2.9Å
351H96.8Very high96.3Very high36 Ų3645.8 Ų45.817%0.16724%0.244CC..THydrogen-bonded Turntrans-83.15.5172.9-78.4-97.1000113.6V347 C348 S349 L417 D420V347-H351 PolarHBondContact O-CD2 2.77Å; V347-H351 PolarHBondContact O-N 3.41Å; V347-H351 VanDerWaalsContact O-N 3.17Å; C348-H351 CarbonylContact O-C 3.51Å; C348-H351 WeakPolarHBondContact O-CA 3.27Å; C348-H351 WeakPolarHBondContact O-CB 3.08Å; C348-H351 PolarHBondContact O-N 3.2Å; S349-H351 PolarHBondContact O-N 3.42Å; H351-L417 HydrophobicContact CB-CD1 4.14Å; H351-D420 IonicContact CD2-OD2 2.91Å; H351-D420 IonicContact CE1-OD2 2.69Å; H351-D420 IonicContact NE2-OD2 3.94Å; H351-D420 PolarHBondContact NE2-OD2 3.46Å
352G94.9Very high95.7Very high63 Ų6346.7 Ų46.765%0.64925%0.254SS*.THydrogen-bonded Turntrans80.121.2173.300000115C348 S349 K350C348-G352 PolarHBondContact O-N 2.73Å; S349-G352 WeakPolarHBondContact O-CA 3.41Å; S349-G352 PolarHBondContact O-N 2.63Å; K350-G352 PolarHBondContact O-N 2.9Å
353S96.7Very high95.2Very high5 Ų546.6 Ų46.64%0.03526%0.256CS..  trans-130.7148.7179.2-72.90000111.4E195 Y197 C348 S349 R393E195-S353 WeakPolarHBondContact O-CB 3.46Å; E195-S353 PolarHBondContact O-OG 2.88Å; Y197-S353 VanDerWaalsContact CE2-CB 3.41Å; C348-S353 CarbonylContact C-O 3.57Å; C348-S353 PolarHBondContact O-N 3.03Å; C348-S353 VanDerWaalsContact O-N 3.16Å; S349-S353 WeakPolarHBondContact CA-O 3.26Å; S349-S353 PolarHBondContact N-O 2.95Å; S353-R393 PolarHBondContact OG-NH1 3.02Å
354K96.9Very high94.9Very high156 Ų15646 Ų4668%0.67825%0.252SS*.  trans-84.6170.6167.8-55.5171.5-177.9167.70109.7D196 Y197D196-K354 VanDerWaalsContact OD1-CB 3.26Å; D196-K354 WeakPolarHBondContact OD1-CB 3.25Å; D196-K354 PolarHBondContact OD1-N 3.19Å; Y197-K354 PolarHBondContact N-O 3.28Å
355V97.7Very high94.7Very high22 Ų2245.9 Ų45.913%0.13325%0.252CS..EExtended strand (participates in β ladder)trans-117.4124.8172.9-177.10000108.4Y197 A199 W341 I345 C348Y197-V355 CarbonylContact O-C 3.49Å; Y197-V355 WeakPolarHBondContact O-CA 3.3Å; A199-V355 HydrophobicContact CB-CG1 3.35Å; W341-V355 HydrophobicContact CZ3-CG1 4.45Å; I345-V355 HydrophobicContact CG1-CB 4.03Å; I345-V355 HydrophobicContact CG1-CG2 4.1Å; C348-V355 HydrophobicContact CB-CG2 3.37Å; C348-V355 VanDerWaalsContact SG-CG2 3.5Å
356Q95.3Very high94.5Very high60 Ų6044.3 Ų44.328%0.2824%0.244SC..EExtended strand (participates in β ladder)trans-94.6114.2172.1-55.1-174.915.300108.7D196 Y197 L198 A199D196-Q356 HydrophobicContact CB-CG 4.12Å; D196-Q356 PolarHBondContact OD2-NE2 3.3Å; D196-Q356 VanDerWaalsContact OD2-NE2 3.14Å; Y197-Q356 PolarHBondContact O-N 3.32Å; L198-Q356 HydrophobicContact CD2-CB 3.87Å; L198-Q356 HydrophobicContact CD2-CG 4.43Å; A199-Q356 PolarHBondContact N-O 3.09Å
357K95Very high94.1Very high53 Ų5341.1 Ų41.123%0.2322%0.224CC..EExtended strand (participates in β ladder)trans-75.5124.7176-53.1-178.5-169.1156.60109.2A199 Y201 T332 P333 E335 W341A199-K357 CarbonylContact O-C 3.54Å; A199-K357 WeakPolarHBondContact O-CA 3.27Å; Y201-K357 HydrophobicContact CD1-CB 4.03Å; Y201-K357 HydrophobicContact CE1-CB 4.12Å; T332-K357 HydrophobicContact CG2-CD 4.12Å; P333-K357 PolarHBondContact O-NZ 2.86Å; E335-K357 WeakPolarHBondContact OE1-CE 3.48Å; E335-K357 IonicContact OE1-NZ 3.6Å; E335-K357 PolarHBondContact OE1-NZ 2.88Å; E335-K357 IonicContact OE2-NZ 3.25Å; E335-K357 PolarHBondContact OE2-NZ 3.37Å; W341-K357 HydrophobicContact CE3-CD 4.18Å; W341-K357 HydrophobicContact CE3-CG 4.2Å; W341-K357 HydrophobicContact CH2-CG 4.16Å; W341-K357 HydrophobicContact CZ3-CB 4.45Å; W341-K357 HydrophobicContact CZ3-CD 4.08Å; W341-K357 HydrophobicContact CZ3-CG 3.63Å
358R94.5Very high93.8Very high80 Ų8041.8 Ų41.830%0.30223%0.227SC..EExtended strand (participates in β ladder)trans-137.7164.9-178.9-64-171-179.7-171.51.3111.7A199 F200 Y201A199-R358 PolarHBondContact O-N 2.98Å; F200-R358 WeakPolarHBondContact CA-O 3.3Å; F200-R358 HydrophobicContact CD1-CB 3.75Å; F200-R358 HydrophobicContact CE1-CB 3.78Å; Y201-R358 WeakPolarHBondContact CD1-O 3.31Å; Y201-R358 VanDerWaalsContact CE1-C 3.47Å; Y201-R358 WeakPolarHBondContact CE1-O 3.27Å; Y201-R358 PolarHBondContact N-O 3Å; Y201-R358 VanDerWaalsContact N-O 3.16Å
359I92.9Very high93.6Very high5 Ų541.8 Ų41.83%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-89.2131.6163-62.7167.6000107Y201 D202 R204 G260 P293 V330Y201-I359 HydrophobicContact CE1-CG1 4.31Å; Y201-I359 HydrophobicContact CE2-CD1 4.49Å; Y201-I359 HydrophobicContact CE2-CG1 3.86Å; Y201-I359 WeakPolarHBondContact OH-CG1 3.47Å; D202-I359 HydrophobicContact CB-CG1 4.47Å; D202-I359 CarbonylContact O-C 3.54Å; D202-I359 WeakPolarHBondContact O-CA 3.32Å; R204-I359 HydrophobicContact CG-CG2 4.41Å; G260-I359 VanDerWaalsContact O-CG2 3.3Å; G260-I359 WeakPolarHBondContact O-CG2 3.26Å; P293-I359 HydrophobicContact CG-CD1 3.8Å; P293-I359 HydrophobicContact CG-CG1 4.31Å; P293-I359 HydrophobicContact CG-CG2 3.8Å; V330-I359 HydrophobicContact CG1-CD1 4.29Å
360F92.9Very high93.2Very high15 Ų1538.8 Ų38.87%0.06620%0.203CC..EExtended strand (participates in β ladder)trans-65.6130.8-179.5-161.8-87.8000109.5I190 F200 D202 E203 R204 T364I190-F360 HydrophobicContact CD1-CD2 4.49Å; I190-F360 HydrophobicContact CD1-CE1 4.35Å; I190-F360 HydrophobicContact CD1-CE2 3.96Å; I190-F360 HydrophobicContact CD1-CZ 3.86Å; I190-F360 HydrophobicContact CG1-CD2 4.37Å; I190-F360 HydrophobicContact CG1-CE2 3.53Å; I190-F360 HydrophobicContact CG1-CZ 3.64Å; F200-F360 HydrophobicContact CB-CB 3.88Å; F200-F360 HydrophobicContact CB-CD2 3.98Å; F200-F360 HydrophobicContact CB-CG 4.43Å; F200-F360 VanDerWaalsContact CD1-CA 3.44Å; F200-F360 HydrophobicContact CD1-CB 3.87Å; F200-F360 AromaticContact CD1-CD2 3.87Å; F200-F360 HydrophobicContact CD1-CD2 3.87Å; F200-F360 HydrophobicContact CD1-CG 4.25Å; F200-F360 AromaticContact CD2-CD2 3.56Å; F200-F360 HydrophobicContact CD2-CD2 3.56Å; F200-F360 HydrophobicContact CD2-CE2 4.16Å; F200-F360 HydrophobicContact CE1-CD2 4.17Å; F200-F360 AromaticContact CE2-CD2 3.95Å; F200-F360 HydrophobicContact CE2-CD2 3.95Å; F200-F360 HydrophobicContact CE2-CE2 4.25Å; F200-F360 HydrophobicContact CG-CB 3.96Å; F200-F360 AromaticContact CG-CD2 3.52Å; F200-F360 HydrophobicContact CG-CD2 3.52Å; F200-F360 HydrophobicContact CG-CG 4.19Å; F200-F360 HydrophobicContact CZ-CD2 4.21Å; D202-F360 PolarHBondContact O-N 3.36Å; E203-F360 WeakPolarHBondContact CA-O 3.01Å; E203-F360 HydrophobicContact CB-CB 3.73Å; R204-F360 PolarHBondContact N-O 3.08Å; F360-T364 HydrophobicContact CD1-CG2 3.74Å; F360-T364 HydrophobicContact CD2-CG2 4.12Å; F360-T364 HydrophobicContact CE1-CG2 3.52Å; F360-T364 HydrophobicContact CE2-CG2 3.88Å; F360-T364 HydrophobicContact CG-CG2 4.07Å; F360-T364 HydrophobicContact CZ-CG2 3.6Å
361P89.1Confident92.7Very high35 Ų3531.3 Ų31.323%0.22717%0.171CC..SBendtrans-76.6-25.7-175.129.9-35.3000113.4I190 R204 L259I190-P361 HydrophobicContact CD1-CG 3.6Å; R204-P361 PolarHBondContact NE-O 3.44Å; R204-P361 PolarHBondContact NH2-O 3.02Å; L259-P361 HydrophobicContact CB-CB 4.22Å
362G85.1Confident92.4Very high23 Ų2329.9 Ų29.924%0.23716%0.164CC..SBendtrans-91.5-155170.700000111.9R204R204-G362 PolarHBondContact N-O 3.45Å; R204-G362 VanDerWaalsContact O-O 3.04Å
363G85.8Confident92.1Very high20 Ų2028.2 Ų28.221%0.20614%0.139CC..  trans-132.8142.3163.500000110.5E203 R367E203-G363 VanDerWaalsContact OE2-C 3.25Å; E203-G363 WeakPolarHBondContact OE2-CA 3.31Å; G363-R367 PolarHBondContact O-NH1 2.86Å
364T92.9Very high91.7Very high2 Ų232.2 Ų32.21%0.01216%0.16CC..  trans-123.4172.8-175.681.90000110.7E149 D187 E188 E203 F360 A366 R367E149-T364 WeakPolarHBondContact OE1-CA 3.26Å; D187-T364 VanDerWaalsContact OD2-CB 3.31Å; D187-T364 WeakPolarHBondContact OD2-CB 3.38Å; D187-T364 PolarHBondContact OD2-OG1 2.92Å; E188-T364 HydrophobicContact CG-CG2 3.65Å; E188-T364 VanDerWaalsContact OE1-CB 3.23Å; E188-T364 WeakPolarHBondContact OE1-CB 3.29Å; E188-T364 VanDerWaalsContact OE1-CG2 3.24Å; E188-T364 WeakPolarHBondContact OE1-CG2 3.46Å; E203-T364 PolarHBondContact OE2-N 2.77Å; F360-T364 HydrophobicContact CD1-CG2 3.74Å; F360-T364 HydrophobicContact CD2-CG2 4.12Å; F360-T364 HydrophobicContact CE1-CG2 3.52Å; F360-T364 HydrophobicContact CE2-CG2 3.88Å; F360-T364 HydrophobicContact CG-CG2 4.07Å; F360-T364 HydrophobicContact CZ-CG2 3.6Å; T364-A366 PolarHBondContact O-N 3.29Å; T364-A366 VanDerWaalsContact OG1-CB 3.3Å; T364-A366 WeakPolarHBondContact OG1-CB 3.31Å; T364-A366 PolarHBondContact OG1-N 3.38Å; T364-R367 VanDerWaalsContact O-CG 3.28Å; T364-R367 WeakPolarHBondContact O-CG 3.26Å; T364-R367 VanDerWaalsContact O-CZ 3.31Å; T364-R367 PolarHBondContact O-N 2.98Å; T364-R367 PolarHBondContact O-NH1 2.89Å
365D94.4Very high91.3Very high0 Ų027.2 Ų27.20%014%0.141CC..THydrogen-bonded Turntrans-63.1-18.7176.6-88.5-19.8000114.6V146 E149 M157 D187 R367 F368V146-D365 WeakPolarHBondContact CG2-OD2 3.44Å; E149-D365 HydrophobicContact CG-CB 4.42Å; M157-D365 HydrophobicContact CB-CB 3.82Å; M157-D365 VanDerWaalsContact CB-OD1 3.26Å; M157-D365 WeakPolarHBondContact CB-OD1 3.4Å; M157-D365 VanDerWaalsContact CB-OD2 3.28Å; M157-D365 WeakPolarHBondContact CB-OD2 3.48Å; M157-D365 HydrophobicContact CE-CB 4.09Å; M157-D365 HydrophobicContact CG-CB 3.89Å; D187-D365 PolarHBondContact OD2-N 2.84Å; D365-R367 PolarHBondContact O-N 3.43Å; D365-R367 VanDerWaalsContact O-N 3.14Å; D365-F368 PolarHBondContact O-N 2.83Å; D365-F368 VanDerWaalsContact O-N 3.07Å; D365-F368 WeakPolarHBondContact OD1-CD2 3.48Å; D365-F368 WeakPolarHBondContact OD1-CE2 3.47Å
366A93.9Very high90.7Very high1 Ų131.7 Ų31.71%0.00817%0.173CC..Hα-helixtrans-52.2-34.1174.400000113.1D187 T364 F368 V369 R370 A386D187-A366 HydrophobicContact CB-CB 3.86Å; D187-A366 WeakPolarHBondContact OD2-CA 3.28Å; D187-A366 WeakPolarHBondContact OD2-CB 3.23Å; D187-A366 PolarHBondContact OD2-N 3.23Å; T364-A366 PolarHBondContact O-N 3.29Å; T364-A366 VanDerWaalsContact OG1-CB 3.3Å; T364-A366 WeakPolarHBondContact OG1-CB 3.31Å; T364-A366 PolarHBondContact OG1-N 3.38Å; A366-F368 VanDerWaalsContact C-N 3.28Å; A366-F368 PolarHBondContact O-N 2.98Å; A366-V369 PolarHBondContact O-N 2.94Å; A366-V369 VanDerWaalsContact O-N 3.16Å; A366-R370 WeakPolarHBondContact O-CG 3.29Å; A366-R370 PolarHBondContact O-N 2.9Å; A366-A386 HydrophobicContact CB-CB 3.77Å
367R89.8Confident90.2Very high31 Ų3131.8 Ų31.812%0.11717%0.173CC..Hα-helixtrans-53.5-45.8176.667.1-165.8171.1-104.8-3.7112.1G152 E203 G363 T364 D365 V369 R370 E371G152-R367 PolarHBondContact O-NH2 3.36Å; E203-R367 HydrophobicContact CG-CB 4.46Å; E203-R367 WeakPolarHBondContact OE1-CB 3.16Å; E203-R367 PolarHBondContact OE1-N 3.49Å; E203-R367 IonicContact OE2-NH1 3.08Å; G363-R367 PolarHBondContact O-NH1 2.86Å; T364-R367 VanDerWaalsContact O-CG 3.28Å; T364-R367 WeakPolarHBondContact O-CG 3.26Å; T364-R367 VanDerWaalsContact O-CZ 3.31Å; T364-R367 PolarHBondContact O-N 2.98Å; T364-R367 PolarHBondContact O-NH1 2.89Å; D365-R367 PolarHBondContact O-N 3.43Å; D365-R367 VanDerWaalsContact O-N 3.14Å; R367-V369 VanDerWaalsContact C-N 3.32Å; R367-V369 PolarHBondContact O-N 3.09Å; R367-R370 PolarHBondContact O-N 3.45Å; R367-E371 WeakPolarHBondContact O-CB 3.34Å; R367-E371 VanDerWaalsContact O-CG 3.23Å; R367-E371 WeakPolarHBondContact O-CG 3.48Å; R367-E371 PolarHBondContact O-N 3.48Å; R367-E371 VanDerWaalsContact O-N 3.11Å
368F91.2Very high89.9Confident19 Ų1929.5 Ų29.58%0.08316%0.164CC..Hα-helixtrans-65.2-40.6-178.1-57.7-58.7000110.5G152 M157 K158 V161 D365 A366 E371 Y372G152-F368 WeakPolarHBondContact O-CZ 3.4Å; M157-F368 HydrophobicContact CB-CD2 3.88Å; M157-F368 HydrophobicContact CG-CB 3.94Å; M157-F368 HydrophobicContact CG-CD2 3.92Å; M157-F368 HydrophobicContact CG-CG 4.37Å; K158-F368 HydrophobicContact CB-CD1 3.89Å; K158-F368 HydrophobicContact CB-CD2 4.25Å; K158-F368 HydrophobicContact CB-CE1 3.63Å; K158-F368 HydrophobicContact CB-CE2 3.99Å; K158-F368 HydrophobicContact CB-CG 4.19Å; K158-F368 HydrophobicContact CB-CZ 3.67Å; K158-F368 HydrophobicContact CD-CE1 3.75Å; K158-F368 HydrophobicContact CD-CZ 4.12Å; K158-F368 HydrophobicContact CG-CD1 3.93Å; K158-F368 HydrophobicContact CG-CE1 3.64Å; K158-F368 HydrophobicContact CG-CZ 4.14Å; V161-F368 HydrophobicContact CB-CB 4.46Å; V161-F368 WeakPolarHBondContact CG1-O 3.31Å; V161-F368 HydrophobicContact CG2-CB 4.19Å; D365-F368 PolarHBondContact O-N 2.83Å; D365-F368 VanDerWaalsContact O-N 3.07Å; D365-F368 WeakPolarHBondContact OD1-CD2 3.48Å; D365-F368 WeakPolarHBondContact OD1-CE2 3.47Å; A366-F368 VanDerWaalsContact C-N 3.28Å; A366-F368 PolarHBondContact O-N 2.98Å; F368-E371 PolarHBondContact O-N 2.96Å; F368-Y372 PolarHBondContact O-N 3.19Å; F368-Y372 VanDerWaalsContact O-N 3.15Å
369V93.6Very high89.2Confident0 Ų030.6 Ų30.60%018%0.179CC..Hα-helixtrans-65-45.8177.4177.80000111.6M157 V161 F177 C185 A366 R367 E371 Y372 I384 A386M157-V369 HydrophobicContact CE-CG2 4.48Å; M157-V369 HydrophobicContact SD-CG2 4.18Å; V161-V369 HydrophobicContact CG2-CG2 4.42Å; F177-V369 HydrophobicContact CE2-CG2 4.33Å; F177-V369 HydrophobicContact CZ-CG1 4.29Å; F177-V369 HydrophobicContact CZ-CG2 4.43Å; C185-V369 HydrophobicContact CB-CG1 3.86Å; A366-V369 PolarHBondContact O-N 2.94Å; A366-V369 VanDerWaalsContact O-N 3.16Å; R367-V369 VanDerWaalsContact C-N 3.32Å; R367-V369 PolarHBondContact O-N 3.09Å; V369-E371 PolarHBondContact O-N 3.22Å; V369-Y372 WeakPolarHBondContact O-CB 3.48Å; V369-Y372 PolarHBondContact O-N 2.95Å; V369-I384 HydrophobicContact CG1-CB 4.04Å; V369-I384 HydrophobicContact CG1-CD1 4.26Å; V369-I384 HydrophobicContact CG1-CG2 3.65Å; V369-A386 HydrophobicContact CB-CB 4.42Å; V369-A386 HydrophobicContact CG1-CB 4.31Å
370R90.4Very high88.7Confident16 Ų1632.9 Ų32.96%0.0619%0.192CC..Hα-helixtrans-58.7-33.6177.2-67.5-176.2-165.9105.92.4111.6Y201 E203 A366 R367 H373 A386Y201-R370 PolarHBondContact O-NE 3.49Å; E203-R370 IonicContact OE1-CZ 3.4Å; E203-R370 IonicContact OE1-NH1 3.92Å; E203-R370 PolarHBondContact OE1-NH1 3.33Å; A366-R370 WeakPolarHBondContact O-CG 3.29Å; A366-R370 PolarHBondContact O-N 2.9Å; R367-R370 PolarHBondContact O-N 3.45Å; R370-H373 PolarHBondContact O-CE1 3.14Å; R370-H373 PolarHBondContact O-ND1 3.05Å; R370-A386 HydrophobicContact CG-CB 3.75Å; R370-A386 VanDerWaalsContact CZ-O 3.3Å; R370-A386 PolarHBondContact NE-O 3.04Å; R370-A386 PolarHBondContact NH2-O 2.65Å
371E86.7Confident88.4Confident15 Ų1538.5 Ų38.57%0.0722%0.216CC..Hα-helixtrans-91.9-3.3-173.8-70159.6178.100114.5V324 L326 R367 F368 V369 H373 L374V324-E371 HydrophobicContact CB-CG 4.48Å; V324-E371 WeakPolarHBondContact CB-OE1 3.06Å; V324-E371 WeakPolarHBondContact CB-OE2 3.31Å; V324-E371 HydrophobicContact CG1-CB 4.38Å; V324-E371 HydrophobicContact CG1-CG 3.89Å; V324-E371 WeakPolarHBondContact CG1-OE1 3.18Å; V324-E371 WeakPolarHBondContact CG1-OE2 3.32Å; V324-E371 WeakPolarHBondContact CG2-OE2 3.32Å; L326-E371 HydrophobicContact CD2-CG 3.61Å; L326-E371 VanDerWaalsContact CD2-OE1 3.24Å; L326-E371 WeakPolarHBondContact CD2-OE1 3.34Å; R367-E371 WeakPolarHBondContact O-CB 3.34Å; R367-E371 VanDerWaalsContact O-CG 3.23Å; R367-E371 WeakPolarHBondContact O-CG 3.48Å; R367-E371 PolarHBondContact O-N 3.48Å; R367-E371 VanDerWaalsContact O-N 3.11Å; F368-E371 PolarHBondContact O-N 2.96Å; V369-E371 PolarHBondContact O-N 3.22Å; E371-H373 PolarHBondContact O-N 3.43Å; E371-L374 HydrophobicContact CB-CD1 4.27Å; E371-L374 HydrophobicContact CG-CD1 4.2Å; E371-L374 WeakPolarHBondContact O-CB 3.34Å; E371-L374 PolarHBondContact O-N 2.89Å
372Y90.1Very high88.3Confident6 Ų644.4 Ų44.42%0.02424%0.238CC..G310 helixtrans-47.6-37.9178.2172.4-114000112.4V161 F177 Q178 F368 V369 L374 L375 S378 T379 N380 I384V161-Y372 HydrophobicContact CG1-CD2 3.74Å; V161-Y372 HydrophobicContact CG1-CG 4.24Å; F177-Y372 AromaticContact CD1-CD2 3.63Å; F177-Y372 HydrophobicContact CD1-CD2 3.63Å; F177-Y372 AromaticContact CD1-CE2 3.7Å; F177-Y372 HydrophobicContact CD1-CE2 3.7Å; F177-Y372 HydrophobicContact CD1-CG 4.11Å; F177-Y372 AromaticContact CE1-CD1 3.94Å; F177-Y372 HydrophobicContact CE1-CD1 3.94Å; F177-Y372 AromaticContact CE1-CD2 3.53Å; F177-Y372 HydrophobicContact CE1-CD2 3.53Å; F177-Y372 HydrophobicContact CE1-CE1 4.31Å; F177-Y372 AromaticContact CE1-CE2 3.97Å; F177-Y372 HydrophobicContact CE1-CE2 3.97Å; F177-Y372 AromaticContact CE1-CG 3.52Å; F177-Y372 HydrophobicContact CE1-CG 3.52Å; Q178-Y372 WeakPolarHBondContact CA-OH 3.3Å; Q178-Y372 VanDerWaalsContact CB-OH 3.25Å; Q178-Y372 WeakPolarHBondContact CB-OH 3.28Å; F368-Y372 PolarHBondContact O-N 3.19Å; F368-Y372 VanDerWaalsContact O-N 3.15Å; V369-Y372 WeakPolarHBondContact O-CB 3.48Å; V369-Y372 PolarHBondContact O-N 2.95Å; Y372-L374 PolarHBondContact O-N 3.27Å; Y372-L375 HydrophobicContact CD2-CD1 3.98Å; Y372-L375 WeakPolarHBondContact O-CB 3.24Å; Y372-L375 PolarHBondContact O-N 3.15Å; Y372-L375 VanDerWaalsContact O-N 3.13Å; Y372-S378 VanDerWaalsContact CD1-OG 3.25Å; Y372-S378 WeakPolarHBondContact CD1-OG 3.11Å; Y372-S378 WeakPolarHBondContact CE1-OG 3.49Å; Y372-S378 WeakPolarHBondContact O-CB 3.49Å; Y372-S378 PolarHBondContact O-OG 2.65Å; Y372-S378 VanDerWaalsContact O-OG 3.04Å; Y372-T379 PolarHBondContact OH-N 3.03Å; Y372-T379 PolarHBondContact OH-OG1 2.81Å; Y372-N380 HydrophobicContact CD1-CB 4.5Å; Y372-N380 HydrophobicContact CE1-CB 4.21Å; Y372-I384 HydrophobicContact CD1-CD1 3.77Å; Y372-I384 HydrophobicContact CG-CD1 4.25Å
373H89.9Confident88.4Confident28 Ų2846.6 Ų46.613%0.1325%0.248CC..G310 helixtrans-62.4-21.5179.575-79.3000115.4R370 E371 L375 N380 K382 P383R370-H373 PolarHBondContact O-CE1 3.14Å; R370-H373 PolarHBondContact O-ND1 3.05Å; E371-H373 PolarHBondContact O-N 3.43Å; H373-L375 VanDerWaalsContact C-N 3.33Å; H373-N380 VanDerWaalsContact CA-O 3.27Å; H373-N380 WeakPolarHBondContact CA-O 3.29Å; H373-N380 VanDerWaalsContact CB-O 3.25Å; H373-N380 WeakPolarHBondContact CB-O 3.47Å; H373-K382 WeakPolarHBondContact CB-O 3.29Å; H373-P383 WeakPolarHBondContact ND1-CA 3.46Å
374L87.4Confident88.8Confident90 Ų9045.8 Ų45.847%0.47124%0.239SC..G310 helixtrans-80.6-15.6178.3-60.1177.2000112.5E371 Y372E371-L374 HydrophobicContact CB-CD1 4.27Å; E371-L374 HydrophobicContact CG-CD1 4.2Å; E371-L374 WeakPolarHBondContact O-CB 3.34Å; E371-L374 PolarHBondContact O-N 2.89Å; Y372-L374 PolarHBondContact O-N 3.27Å
375L88Confident88.8Confident51 Ų5149 Ų4927%0.26725%0.254SS..SBendtrans-74.7142-179.4-60.5170.6000111.1V161 Y372 H373 H377 S378V161-L375 HydrophobicContact CG1-CD1 3.97Å; V161-L375 WeakPolarHBondContact O-CD1 3.27Å; Y372-L375 HydrophobicContact CD2-CD1 3.98Å; Y372-L375 WeakPolarHBondContact O-CB 3.24Å; Y372-L375 PolarHBondContact O-N 3.15Å; Y372-L375 VanDerWaalsContact O-N 3.13Å; H373-L375 VanDerWaalsContact C-N 3.33Å; L375-H377 VanDerWaalsContact C-N 3.29Å; L375-H377 PolarHBondContact O-N 2.85Å; L375-S378 WeakPolarHBondContact O-CB 3.43Å; L375-S378 PolarHBondContact O-N 2.85Å
376S86.8Confident88.8Confident116 Ų11649.1 Ų49.181%0.81126%0.255SS*.THydrogen-bonded Turntrans-57.8-40.6-176.354.80000112.9S378S376-S378 VanDerWaalsContact C-N 3.32Å
377H84.9Confident88.9Confident61 Ų6149.1 Ų49.128%0.28226%0.255SS..THydrogen-bonded Turntrans-84-2-179.764.8-87.9000113.9S162 N163 L375 T379S162-H377 VanDerWaalsContact C-CE1 3.49Å; S162-H377 PolarHBondContact O-CE1 3.17Å; N163-H377 WeakPolarHBondContact CB-NE2 3.34Å; L375-H377 VanDerWaalsContact C-N 3.29Å; L375-H377 PolarHBondContact O-N 2.85Å; H377-T379 PolarHBondContact O-N 2.89Å
378S86.7Confident89.3Confident5 Ų547.7 Ų47.74%0.03525%0.25CC..  trans-61.3125.5-175.5-175.10000112.1Y372 L375 S376 N380 K381Y372-S378 VanDerWaalsContact CD1-OG 3.25Å; Y372-S378 WeakPolarHBondContact CD1-OG 3.11Å; Y372-S378 WeakPolarHBondContact CE1-OG 3.49Å; Y372-S378 WeakPolarHBondContact O-CB 3.49Å; Y372-S378 PolarHBondContact O-OG 2.65Å; Y372-S378 VanDerWaalsContact O-OG 3.04Å; L375-S378 WeakPolarHBondContact O-CB 3.43Å; L375-S378 PolarHBondContact O-N 2.85Å; S376-S378 VanDerWaalsContact C-N 3.32Å; S378-N380 VanDerWaalsContact C-N 3.32Å; S378-N380 PolarHBondContact OG-N 3.02Å; S378-N380 PolarHBondContact OG-O 2.76Å; S378-K381 WeakPolarHBondContact O-CE 3.41Å; S378-K381 PolarHBondContact O-NZ 3.03Å
379T81.7Confident89.6Confident103 Ų10346.8 Ų46.863%0.63225%0.246SC*.SBendtrans-72.5-25.9174.550.50000112.4Y372 H377Y372-T379 PolarHBondContact OH-N 3.03Å; Y372-T379 PolarHBondContact OH-OG1 2.81Å; H377-T379 PolarHBondContact O-N 2.89Å
380N82.3Confident89.8Confident53 Ų5346.8 Ų46.828%0.28325%0.246SC..  trans-109.7110.5-179.5-172.5-4.4000110.3Y372 H373 S378 K382Y372-N380 HydrophobicContact CD1-CB 4.5Å; Y372-N380 HydrophobicContact CE1-CB 4.21Å; H373-N380 VanDerWaalsContact CA-O 3.27Å; H373-N380 WeakPolarHBondContact CA-O 3.29Å; H373-N380 VanDerWaalsContact CB-O 3.25Å; H373-N380 WeakPolarHBondContact CB-O 3.47Å; S378-N380 VanDerWaalsContact C-N 3.32Å; S378-N380 PolarHBondContact OG-N 3.02Å; S378-N380 PolarHBondContact OG-O 2.76Å; N380-K382 PolarHBondContact O-N 3.08Å; N380-K382 WeakPolarHBondContact OD1-CB 3.32Å; N380-K382 PolarHBondContact OD1-N 3.35Å; N380-K382 PolarHBondContact OD1-O 3.01Å
381K85.5Confident90.2Very high133 Ų13346 Ų4658%0.57824%0.243SC*.  trans-824.4178.2-59.1-49.4-170.2-1630114S378S378-K381 WeakPolarHBondContact O-CE 3.41Å; S378-K381 PolarHBondContact O-NZ 3.03Å
382K87.9Confident90.7Very high159 Ų15945.3 Ų45.369%0.69124%0.24SC*.SBendtrans-105.8142.5173-63.6-177.9179.6179.40110.1H373 N380 I384H373-K382 WeakPolarHBondContact CB-O 3.29Å; N380-K382 PolarHBondContact O-N 3.08Å; N380-K382 WeakPolarHBondContact OD1-CB 3.32Å; N380-K382 PolarHBondContact OD1-N 3.35Å; N380-K382 PolarHBondContact OD1-O 3.01Å; K382-I384 PolarHBondContact O-N 3.45Å
383P87.5Confident91Very high69 Ų6946.3 Ų46.345%0.44824%0.244SC..  trans-55.2133.6173.9-19.727.5000111.7H373H373-P383 WeakPolarHBondContact ND1-CA 3.46Å
384I92.6Very high91.4Very high4 Ų449 Ų492%0.02126%0.258CS..  trans-73.9132.7168.7-62.1173.2000107.2F177 I182 V369 Y372 K382 A386F177-I384 HydrophobicContact CE1-CD1 4.1Å; F177-I384 HydrophobicContact CZ-CD1 4.04Å; I182-I384 HydrophobicContact CB-CD1 4.17Å; I182-I384 HydrophobicContact CG2-CD1 4.3Å; I182-I384 HydrophobicContact CG2-CG2 3.89Å; I182-I384 WeakPolarHBondContact O-CD1 3.32Å; V369-I384 HydrophobicContact CG1-CB 4.04Å; V369-I384 HydrophobicContact CG1-CD1 4.26Å; V369-I384 HydrophobicContact CG1-CG2 3.65Å; Y372-I384 HydrophobicContact CD1-CD1 3.77Å; Y372-I384 HydrophobicContact CG-CD1 4.25Å; K382-I384 PolarHBondContact O-N 3.45Å; I384-A386 PolarHBondContact O-N 2.95Å
385Q92.9Very high91.9Very high68 Ų6844.7 Ų44.732%0.31824%0.236SC..EExtended strand (participates in β ladder)trans-78.1113.9174.1-66.5-171.628.700109.6F184 C185 N338F184-Q385 CarbonylContact C-O 3.59Å; F184-Q385 WeakPolarHBondContact CA-O 3.28Å; F184-Q385 HydrophobicContact CD2-CB 4.07Å; F184-Q385 WeakPolarHBondContact CD2-O 3.48Å; C185-Q385 PolarHBondContact N-O 3.11Å; N338-Q385 PolarHBondContact ND2-NE2 2.98Å; N338-Q385 PolarHBondContact ND2-OE1 3.47Å; N338-Q385 PolarHBondContact OD1-OE1 3.23Å
386A95Very high92.3Very high3 Ų344.8 Ų44.83%0.02524%0.24CC..EExtended strand (participates in β ladder)trans-112.712617200000109.8C185 A366 V369 R370 I384C185-A386 HydrophobicContact CB-CB 3.84Å; C185-A386 CarbonylContact O-C 3.54Å; C185-A386 VanDerWaalsContact O-CA 3.27Å; C185-A386 WeakPolarHBondContact O-CA 3.5Å; A366-A386 HydrophobicContact CB-CB 3.77Å; V369-A386 HydrophobicContact CB-CB 4.42Å; V369-A386 HydrophobicContact CG1-CB 4.31Å; R370-A386 HydrophobicContact CG-CB 3.75Å; R370-A386 VanDerWaalsContact CZ-O 3.3Å; R370-A386 PolarHBondContact NE-O 3.04Å; R370-A386 PolarHBondContact NH2-O 2.65Å; I384-A386 PolarHBondContact O-N 2.95Å
387I96.7Very high92.8Very high1 Ų142.8 Ų42.81%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-114.8121.5178.8-56.1177.5000108.5F184 C185 L186 D187 A199 F200 W341 L344 F389F184-I387 HydrophobicContact CE2-CD1 3.58Å; F184-I387 HydrophobicContact CE2-CG1 3.86Å; F184-I387 HydrophobicContact CZ-CD1 3.75Å; F184-I387 HydrophobicContact CZ-CG1 4.19Å; C185-I387 PolarHBondContact O-N 2.85Å; L186-I387 WeakPolarHBondContact CA-O 3.34Å; L186-I387 HydrophobicContact CD2-CB 4.12Å; D187-I387 PolarHBondContact N-O 3.28Å; A199-I387 HydrophobicContact CB-CG2 3.99Å; F200-I387 CarbonylContact O-C 3.57Å; F200-I387 WeakPolarHBondContact O-CA 3.41Å; W341-I387 HydrophobicContact CD2-CD1 3.87Å; W341-I387 HydrophobicContact CE3-CD1 4.49Å; W341-I387 HydrophobicContact CG-CD1 4.21Å; W341-I387 HydrophobicContact CH2-CD1 4.25Å; W341-I387 HydrophobicContact CH2-CG2 3.91Å; W341-I387 HydrophobicContact CZ2-CB 4.38Å; W341-I387 HydrophobicContact CZ2-CD1 3.54Å; W341-I387 HydrophobicContact CZ2-CG1 3.68Å; W341-I387 HydrophobicContact CZ2-CG2 3.83Å; W341-I387 VanDerWaalsContact NE1-CD1 3.35Å; L344-I387 HydrophobicContact CD2-CD1 4.11Å; L344-I387 HydrophobicContact CD2-CG2 4.12Å; I387-F389 HydrophobicContact CG2-CB 4.28Å; I387-F389 PolarHBondContact O-N 3.13Å
388G97.5Very high93.4Very high1 Ų141.2 Ų41.21%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-71.7119.7166.800000109.6D187 E188 A199 F200D187-G388 WeakPolarHBondContact O-CA 3.3Å; E188-G388 CarbonylContact O-C 3.52Å; E188-G388 WeakPolarHBondContact O-CA 3.47Å; A199-G388 CarbonylContact C-O 3.57Å; A199-G388 WeakPolarHBondContact CA-O 3.39Å; F200-G388 WeakPolarHBondContact CD2-O 3.47Å; F200-G388 PolarHBondContact N-O 2.91Å; F200-G388 PolarHBondContact O-N 3.23Å
389F98.2Very high93.7Very high0 Ų042.7 Ų42.70%022%0.223CC..EExtended strand (participates in β ladder)trans-152.6111.8-175.1179.7-108.3000111.3L186 D187 Y197 L198 A199 L344 I387 P391 L417 Y418 L421L186-F389 HydrophobicContact CD2-CB 4.43Å; D187-F389 PolarHBondContact O-N 3.37Å; Y197-F389 HydrophobicContact CG-CE2 4.16Å; Y197-F389 HydrophobicContact CG-CZ 4.32Å; L198-F389 WeakPolarHBondContact O-CD2 3.38Å; A199-F389 HydrophobicContact CB-CD2 4.02Å; L344-F389 HydrophobicContact CD1-CD1 4.05Å; L344-F389 HydrophobicContact CD1-CD2 4.13Å; L344-F389 HydrophobicContact CD1-CE1 3.87Å; L344-F389 HydrophobicContact CD1-CE2 3.95Å; L344-F389 HydrophobicContact CD1-CG 4.17Å; L344-F389 HydrophobicContact CD1-CZ 3.83Å; L344-F389 HydrophobicContact CD2-CD2 4.44Å; I387-F389 HydrophobicContact CG2-CB 4.28Å; I387-F389 PolarHBondContact O-N 3.13Å; F389-P391 HydrophobicContact CE1-CB 3.88Å; F389-P391 HydrophobicContact CE1-CG 4.25Å; F389-P391 HydrophobicContact CZ-CB 3.93Å; F389-L417 HydrophobicContact CE1-CD2 3.64Å; F389-L417 HydrophobicContact CZ-CD2 3.87Å; F389-Y418 HydrophobicContact CD1-CE1 4.32Å; F389-Y418 PolarHBondContact O-OH 3.49Å; F389-L421 HydrophobicContact CD1-CD2 4.03Å; F389-L421 HydrophobicContact CE1-CD2 3.77Å
390S98.1Very high94.3Very high0 Ų042 Ų420%021%0.213CC..  trans-112114.6170.5-71.20000108.2I118 G189 I392I118-S390 WeakPolarHBondContact CD1-OG 3.41Å; G189-S390 WeakPolarHBondContact CA-OG 3.29Å; G189-S390 PolarHBondContact N-OG 2.99Å; G189-S390 WeakPolarHBondContact O-CB 3.25Å; G189-S390 PolarHBondContact O-OG 3.38Å; S390-I392 PolarHBondContact O-N 2.92Å
391P97.8Very high95Very high0 Ų043.3 Ų43.30%022%0.22CC..  trans-77.558.5-179.732.7-35.7000111.1Y197 F389 L417 Y418Y197-P391 HydrophobicContact CD1-CB 4.33Å; Y197-P391 HydrophobicContact CE1-CB 3.98Å; F389-P391 HydrophobicContact CE1-CB 3.88Å; F389-P391 HydrophobicContact CE1-CG 4.25Å; F389-P391 HydrophobicContact CZ-CB 3.93Å; P391-L417 HydrophobicContact CB-CB 4.5Å; P391-L417 HydrophobicContact CB-CD1 4.1Å; P391-L417 HydrophobicContact CB-CD2 3.99Å; P391-L417 HydrophobicContact CB-CG 4.44Å; P391-Y418 HydrophobicContact CG-CD2 3.57Å; P391-Y418 HydrophobicContact CG-CE2 3.29Å
392I97.9Very high95.4Very high0 Ų039.5 Ų39.50%020%0.204CC..  trans-119.1115.8179.3-58.4172.2000106.9I118 P191 S192 S390 T395 L406I118-I392 HydrophobicContact CD1-CD1 3.85Å; I118-I392 HydrophobicContact CD1-CG1 4.3Å; P191-I392 HydrophobicContact CB-CB 4.17Å; P191-I392 HydrophobicContact CB-CG2 3.71Å; P191-I392 HydrophobicContact CG-CB 4.24Å; P191-I392 HydrophobicContact CG-CD1 4.23Å; P191-I392 HydrophobicContact CG-CG2 3.93Å; S192-I392 PolarHBondContact N-O 3.43Å; S390-I392 PolarHBondContact O-N 2.92Å; I392-T395 HydrophobicContact CG2-CG2 3.9Å; I392-T395 WeakPolarHBondContact CG2-OG1 3.49Å; I392-L406 HydrophobicContact CB-CD1 4.45Å; I392-L406 HydrophobicContact CD1-CD1 4.16Å; I392-L406 HydrophobicContact CD1-CD2 4.16Å; I392-L406 HydrophobicContact CG1-CD1 4.14Å; I392-L406 HydrophobicContact CG1-CD2 4.48Å; I392-L406 HydrophobicContact CG2-CD1 3.52Å
393R96.4Very high95.9Very high28 Ų2833.7 Ų33.711%0.10618%0.18CC..  trans-124.5170.6179.662.8174.5-162.6172.525.2110.1S192 S194 E195 Y197 S353 T395 E410 R413S192-R393 CarbonylContact O-C 3.59Å; S192-R393 VanDerWaalsContact O-C 3.27Å; S192-R393 WeakPolarHBondContact O-CA 3.29Å; S194-R393 WeakPolarHBondContact O-CB 3.43Å; E195-R393 WeakPolarHBondContact O-CD 3.32Å; Y197-R393 HydrophobicContact CD1-CB 4.21Å; Y197-R393 HydrophobicContact CE1-CB 4.07Å; Y197-R393 HydrophobicContact CE1-CG 4Å; S353-R393 PolarHBondContact OG-NH1 3.02Å; R393-T395 PolarHBondContact O-N 3.36Å; R393-T395 PolarHBondContact O-OG1 3.32Å; R393-E410 WeakPolarHBondContact CG-OE2 3.42Å; R393-E410 IonicContact NE-OE1 3.45Å; R393-E410 IonicContact NE-OE2 3.57Å; R393-E410 PolarHBondContact NE-OE2 3.19Å; R393-R413 VanDerWaalsContact CZ-CZ 3.46Å; R393-R413 VanDerWaalsContact NH2-NH1 3.12Å
394N96.8Very high96.4Very high83 Ų8330.4 Ų30.444%0.44416%0.159SC..SBendtrans48.331.8-177.9-56.9-51.7000113.6S192 S194 E195S192-N394 PolarHBondContact O-N 3.42Å; S194-N394 PolarHBondContact O-N 2.89Å; S194-N394 PolarHBondContact O-OD1 3.14Å; E195-N394 WeakPolarHBondContact CA-OD1 3.31Å; E195-N394 PolarHBondContact N-OD1 3.35Å
395T98Very high96.6Very high1 Ų132.1 Ų32.11%0.00617%0.165CC..  trans-129126-171.8-60.40000108.3Q113 P191 S192 I392 R393 W405 L406Q113-T395 VanDerWaalsContact NE2-CG2 3.31Å; P191-T395 HydrophobicContact CB-CG2 4.22Å; S192-T395 CarbonylContact C-O 3.36Å; S192-T395 PolarHBondContact O-N 3.09Å; S192-T395 VanDerWaalsContact O-O 3.12Å; I392-T395 HydrophobicContact CG2-CG2 3.9Å; I392-T395 WeakPolarHBondContact CG2-OG1 3.49Å; R393-T395 PolarHBondContact O-N 3.36Å; R393-T395 PolarHBondContact O-OG1 3.32Å; T395-W405 HydrophobicContact CG2-CZ3 4.27Å; T395-L406 HydrophobicContact CG2-CD1 4.44Å
396P97.6Very high96.9Very high52 Ų5228.9 Ų28.934%0.33815%0.15SC..  trans-62.2144.9173.827.9-33.8000110.2Q113 L398 W405Q113-P396 PolarHBondContact NE2-O 2.88Å; Q113-P396 PolarHBondContact OE1-O 3.49Å; P396-L398 HydrophobicContact CB-CG 4.35Å; P396-L398 HydrophobicContact CG-CD1 4.03Å; P396-L398 HydrophobicContact CG-CG 4.15Å; P396-L398 PolarHBondContact O-N 3.44Å; P396-L398 VanDerWaalsContact O-N 3.16Å; P396-W405 HydrophobicContact CG-CH2 4.02Å; P396-W405 HydrophobicContact CG-CZ2 3.56Å
397V96.7Very high97.1Very high75 Ų7530.5 Ų30.546%0.45516%0.158SC..  trans-72106.9175.4-177.80000108.5I190 L399I190-V397 HydrophobicContact CG2-CB 4.35Å; I190-V397 HydrophobicContact CG2-CG1 3.69Å; I190-V397 HydrophobicContact CG2-CG2 3.7Å; V397-L399 HydrophobicContact CG1-CD1 3.89Å
398L97.2Very high97.2Very high27 Ų2734.2 Ų34.214%0.14118%0.175CC..  trans-121.117-178.7-59.6173.6000112P396 H400 D401 E404 W405P396-L398 HydrophobicContact CB-CG 4.35Å; P396-L398 HydrophobicContact CG-CD1 4.03Å; P396-L398 HydrophobicContact CG-CG 4.15Å; P396-L398 PolarHBondContact O-N 3.44Å; P396-L398 VanDerWaalsContact O-N 3.16Å; L398-H400 PolarHBondContact O-N 2.97Å; L398-D401 HydrophobicContact CB-CB 4.43Å; L398-D401 WeakPolarHBondContact O-CB 3.38Å; L398-D401 PolarHBondContact O-N 3.27Å; L398-E404 HydrophobicContact CB-CG 4.33Å; L398-E404 WeakPolarHBondContact O-CG 3.4Å; L398-W405 HydrophobicContact CD1-CD2 4.32Å; L398-W405 HydrophobicContact CD1-CG 4.19Å; L398-W405 HydrophobicContact CD1-CZ2 4.45Å; L398-W405 VanDerWaalsContact CD1-NE1 3.32Å
399L93.8Very high97.2Very high36 Ų3637.9 Ų37.919%0.18820%0.197CC..THydrogen-bonded Turntrans-52.6130.7174.5-76.576.2000108.9Q113 D114 I190 P191 V397 D401Q113-L399 HydrophobicContact CB-CD1 4.01Å; Q113-L399 HydrophobicContact CB-CG 4.37Å; D114-L399 HydrophobicContact CB-CB 4.47Å; D114-L399 HydrophobicContact CB-CD2 4.07Å; D114-L399 HydrophobicContact CB-CG 3.92Å; I190-L399 HydrophobicContact CG2-CD1 4.14Å; P191-L399 VanDerWaalsContact CD-CD1 3.41Å; P191-L399 HydrophobicContact CG-CD1 4.06Å; V397-L399 HydrophobicContact CG1-CD1 3.89Å; L399-D401 PolarHBondContact O-N 3.37Å
400H94.4Very high97.1Very high88 Ų8838.8 Ų38.841%0.40720%0.201SC..THydrogen-bonded Turntrans64.2-6.9-179.4-51.1168.9000115.5V85 R110 D114 E150 L398V85-H400 HydrophobicContact CG2-CB 3.84Å; R110-H400 VanDerWaalsContact NH1-C 3.33Å; R110-H400 PolarHBondContact NH2-O 3.47Å; D114-H400 IonicContact OD2-CD2 3.66Å; D114-H400 PolarHBondContact OD2-CD2 2.89Å; D114-H400 IonicContact OD2-CE1 2.83Å; D114-H400 IonicContact OD2-NE2 3.85Å; D114-H400 PolarHBondContact OD2-NE2 3.16Å; E150-H400 IonicContact OE1-CD2 2.76Å; E150-H400 IonicContact OE1-NE2 2.76Å; E150-H400 IonicContact OE2-CD2 3.62Å; E150-H400 IonicContact OE2-CE1 3.41Å; E150-H400 PolarHBondContact OE2-CE1 3.39Å; E150-H400 IonicContact OE2-NE2 2.69Å; E150-H400 PolarHBondContact OE2-NE2 3.5Å; L398-H400 PolarHBondContact O-N 2.97Å
401D95.6Very high97.2Very high81 Ų8138.8 Ų38.843%0.43320%0.201SC..SBendtrans-76165.3179.3-150.2-13.2000111.5R110 L398 L399R110-D401 PolarHBondContact NH1-O 3.03Å; R110-D401 PolarHBondContact NH2-O 2.86Å; L398-D401 HydrophobicContact CB-CB 4.43Å; L398-D401 WeakPolarHBondContact O-CB 3.38Å; L398-D401 PolarHBondContact O-N 3.27Å; L399-D401 PolarHBondContact O-N 3.37Å
402H95.1Very high97.2Very high53 Ų5339.3 Ų39.325%0.24520%0.204CC..THydrogen-bonded Turntrans-70.7153.7166.5-52.1-53.9000109.6K91 W92 E404K91-H402 HydrophobicContact CB-CB 4.16Å; K91-H402 VanDerWaalsContact CD-CD2 3.41Å; K91-H402 WeakPolarHBondContact CD-CD2 3.45Å; K91-H402 WeakPolarHBondContact CD-NE2 3.42Å; K91-H402 PolarHBondContact NZ-NE2 3.4Å; W92-H402 AromaticContact NE1-ND1 3.86Å; H402-E404 PolarHBondContact O-N 3.38Å
403D97.1Very high97.2Very high37 Ų3742.5 Ų42.520%0.19822%0.216CC..THydrogen-bonded Turntrans55.637.6-179.1-78-15.4000113.3W92 S93 Y108 W405W92-D403 WeakPolarHBondContact CA-OD1 3.32Å; S93-D403 WeakPolarHBondContact CB-OD1 3.1Å; S93-D403 WeakPolarHBondContact CB-OD2 3.48Å; S93-D403 PolarHBondContact N-OD1 2.94Å; S93-D403 PolarHBondContact N-OD2 3.47Å; S93-D403 PolarHBondContact OG-OD2 3.09Å; Y108-D403 HydrophobicContact CD1-CB 4.27Å; Y108-D403 HydrophobicContact CE1-CB 3.93Å; D403-W405 PolarHBondContact O-N 3.34Å
404E98.4Very high97.3Very high0 Ų041.2 Ų41.20%021%0.211CC..  trans-58.3127.8169-164.9-168.7141.900109.5W92 G109 R110 G111 T112 Q113 D114 L398 H402W92-E404 HydrophobicContact CH2-CB 3.7Å; W92-E404 HydrophobicContact CZ3-CB 4.21Å; G109-E404 PolarHBondContact N-O 3.15Å; R110-E404 WeakPolarHBondContact CD-OE2 3.45Å; R110-E404 IonicContact CZ-OE2 3.7Å; R110-E404 IonicContact NE-OE2 3.63Å; R110-E404 IonicContact NH1-OE2 3.8Å; R110-E404 PolarHBondContact NH1-OE2 3Å; G111-E404 VanDerWaalsContact C-OE1 3.31Å; G111-E404 VanDerWaalsContact CA-OE1 3.32Å; G111-E404 WeakPolarHBondContact CA-OE1 3.4Å; G111-E404 PolarHBondContact N-OE1 3.05Å; G111-E404 PolarHBondContact N-OE2 2.77Å; T112-E404 PolarHBondContact N-OE1 3.16Å; T112-E404 WeakPolarHBondContact OG1-CG 3.45Å; T112-E404 PolarHBondContact OG1-O 3.24Å; T112-E404 PolarHBondContact OG1-OE1 3.47Å; Q113-E404 WeakPolarHBondContact CA-OE1 3.44Å; Q113-E404 HydrophobicContact CB-CG 4.2Å; Q113-E404 HydrophobicContact CG-CG 4.08Å; Q113-E404 PolarHBondContact N-OE1 3.48Å; D114-E404 PolarHBondContact N-OE1 2.85Å; L398-E404 HydrophobicContact CB-CG 4.33Å; L398-E404 WeakPolarHBondContact O-CG 3.4Å; H402-E404 PolarHBondContact O-N 3.38Å
405W98.4Very high97.3Very high40 Ų4037.2 Ų37.215%0.15219%0.19CC..EExtended strand (participates in β ladder)trans-143.1157.3177.960.7-100.4000112.2K106 I107 Y108 T112 Q113 T395 P396 L398 D403 D407K106-W405 HydrophobicContact CB-CB 4.36Å; K106-W405 HydrophobicContact CB-CD2 4.36Å; K106-W405 HydrophobicContact CB-CE3 4.2Å; K106-W405 HydrophobicContact CB-CG 4.42Å; K106-W405 HydrophobicContact CD-CD2 3.74Å; K106-W405 HydrophobicContact CD-CE3 3.86Å; K106-W405 HydrophobicContact CD-CG 4.2Å; K106-W405 HydrophobicContact CD-CH2 4.38Å; K106-W405 HydrophobicContact CD-CZ2 4.25Å; K106-W405 HydrophobicContact CD-CZ3 4.19Å; K106-W405 HydrophobicContact CG-CD2 4.09Å; K106-W405 HydrophobicContact CG-CE3 3.76Å; K106-W405 HydrophobicContact CG-CZ3 4.13Å; I107-W405 CarbonylContact O-C 3.54Å; I107-W405 WeakPolarHBondContact O-CA 3.38Å; I107-W405 WeakPolarHBondContact O-CB 3.34Å; Y108-W405 HydrophobicContact CD1-CB 4.09Å; Y108-W405 HydrophobicContact CD2-CB 4.05Å; Y108-W405 HydrophobicContact CE1-CB 4.2Å; Y108-W405 AromaticContact CE1-CD1 3.77Å; Y108-W405 HydrophobicContact CE1-CG 4.3Å; Y108-W405 HydrophobicContact CE2-CB 4.15Å; Y108-W405 HydrophobicContact CE2-CG 4.4Å; Y108-W405 HydrophobicContact CG-CB 4.01Å; Y108-W405 AromaticContact CZ-CD1 3.77Å; T112-W405 WeakPolarHBondContact OG1-CA 3.49Å; T112-W405 PolarHBondContact OG1-N 3.34Å; Q113-W405 PolarHBondContact NE2-O 2.95Å; T395-W405 HydrophobicContact CG2-CZ3 4.27Å; P396-W405 HydrophobicContact CG-CH2 4.02Å; P396-W405 HydrophobicContact CG-CZ2 3.56Å; L398-W405 HydrophobicContact CD1-CD2 4.32Å; L398-W405 HydrophobicContact CD1-CG 4.19Å; L398-W405 HydrophobicContact CD1-CZ2 4.45Å; L398-W405 VanDerWaalsContact CD1-NE1 3.32Å; D403-W405 PolarHBondContact O-N 3.34Å; W405-D407 HydrophobicContact CZ3-CB 4.26Å
406L98.6Very high97.3Very high0 Ų041.3 Ų41.30%021%0.205CC..EExtended strand (participates in β ladder)trans-129.2132.4168.4179.559.1000109.8F17 I107 T112 I392 T395 K408 E410 F411F17-L406 HydrophobicContact CE1-CD2 4.38Å; F17-L406 HydrophobicContact CZ-CD2 4.35Å; I107-L406 PolarHBondContact N-O 3.28Å; I107-L406 PolarHBondContact O-N 3.42Å; T112-L406 WeakPolarHBondContact O-CD2 3.41Å; I392-L406 HydrophobicContact CB-CD1 4.45Å; I392-L406 HydrophobicContact CD1-CD1 4.16Å; I392-L406 HydrophobicContact CD1-CD2 4.16Å; I392-L406 HydrophobicContact CG1-CD1 4.14Å; I392-L406 HydrophobicContact CG1-CD2 4.48Å; I392-L406 HydrophobicContact CG2-CD1 3.52Å; T395-L406 HydrophobicContact CG2-CD1 4.44Å; L406-K408 PolarHBondContact O-N 3.05Å; L406-E410 HydrophobicContact CD1-CB 4.33Å; L406-F411 HydrophobicContact CD2-CB 3.73Å; L406-F411 HydrophobicContact CD2-CD2 4.11Å; L406-F411 HydrophobicContact CD2-CG 4.39Å; L406-F411 HydrophobicContact CG-CB 4.09Å
407D98.4Very high97.4Very high37 Ų3738.8 Ų38.820%0.19819%0.189CC..EExtended strand (participates in β ladder)trans-64.3129.2174.2-171.1-77.2000109.9W405 T409 E410 F411W405-D407 HydrophobicContact CZ3-CB 4.26Å; D407-T409 PolarHBondContact O-N 3.28Å; D407-T409 VanDerWaalsContact O-N 3.17Å; D407-T409 WeakPolarHBondContact OD1-CA 3.39Å; D407-T409 WeakPolarHBondContact OD1-CB 3.3Å; D407-T409 PolarHBondContact OD1-N 3Å; D407-T409 PolarHBondContact OD1-OG1 2.93Å; D407-E410 HydrophobicContact CB-CB 4.31Å; D407-E410 HydrophobicContact CB-CG 4.29Å; D407-E410 PolarHBondContact O-N 3.48Å; D407-F411 PolarHBondContact O-N 3.36Å
408K98.4Very high97.5Very high79 Ų7935.2 Ų35.234%0.34317%0.167SC..Hα-helixtrans-54-36.6179.7176.9-178.1174.1-175.80112.2V14 G105 I107 L406 L412V14-K408 HydrophobicContact CG2-CD 4.32Å; V14-K408 HydrophobicContact CG2-CG 3.97Å; G105-K408 WeakPolarHBondContact O-CB 3.32Å; G105-K408 PolarHBondContact O-N 3.25Å; I107-K408 HydrophobicContact CD1-CB 4.05Å; I107-K408 HydrophobicContact CD1-CG 4.39Å; I107-K408 HydrophobicContact CG1-CB 4.24Å; L406-K408 PolarHBondContact O-N 3.05Å; K408-L412 HydrophobicContact CG-CD1 4.04Å; K408-L412 WeakPolarHBondContact O-CB 3.41Å; K408-L412 VanDerWaalsContact O-CG 3.27Å; K408-L412 WeakPolarHBondContact O-CG 3.3Å; K408-L412 PolarHBondContact O-N 3.42Å
409T97.7Very high97.5Very high79 Ų7934.4 Ų34.449%0.48516%0.164SC..Hα-helixtrans-66.9-43179.4-47.70000111.1D407 L412 R413D407-T409 PolarHBondContact O-N 3.28Å; D407-T409 VanDerWaalsContact O-N 3.17Å; D407-T409 WeakPolarHBondContact OD1-CA 3.39Å; D407-T409 WeakPolarHBondContact OD1-CB 3.3Å; D407-T409 PolarHBondContact OD1-N 3Å; D407-T409 PolarHBondContact OD1-OG1 2.93Å; T409-L412 PolarHBondContact O-N 3.43Å; T409-R413 WeakPolarHBondContact O-CB 3.34Å; T409-R413 PolarHBondContact O-N 3.41Å
410E97.7Very high97.7Very high18 Ų1836 Ų368%0.08417%0.173CC..Hα-helixtrans-71.6-37.9177.6-67-5813500111.3R393 L406 D407 L412 R413 G414R393-E410 WeakPolarHBondContact CG-OE2 3.42Å; R393-E410 IonicContact NE-OE1 3.45Å; R393-E410 IonicContact NE-OE2 3.57Å; R393-E410 PolarHBondContact NE-OE2 3.19Å; L406-E410 HydrophobicContact CD1-CB 4.33Å; D407-E410 HydrophobicContact CB-CB 4.31Å; D407-E410 HydrophobicContact CB-CG 4.29Å; D407-E410 PolarHBondContact O-N 3.48Å; E410-L412 PolarHBondContact O-N 3.3Å; E410-R413 PolarHBondContact O-N 3.23Å; E410-R413 IonicContact OE1-NE 2.82Å; E410-R413 PolarHBondContact OE1-NE 3.38Å; E410-R413 WeakPolarHBondContact OE2-CD 3.14Å; E410-R413 IonicContact OE2-NE 3.64Å; E410-G414 PolarHBondContact O-N 3.43Å
411F98.6Very high97.9Very high0 Ų031.9 Ų31.90%015%0.153CC..Hα-helixtrans-55.4-50.3169.9169.9-103.3000112.1A13 V14 F17 I120 Q121 L406 D407 G414 C415A13-F411 HydrophobicContact CB-CE1 4.02Å; A13-F411 HydrophobicContact CB-CZ 4.38Å; V14-F411 HydrophobicContact CG2-CD1 4.12Å; V14-F411 HydrophobicContact CG2-CE1 4.1Å; F17-F411 HydrophobicContact CB-CE1 4.03Å; F17-F411 HydrophobicContact CB-CE2 3.88Å; F17-F411 HydrophobicContact CB-CZ 3.54Å; F17-F411 HydrophobicContact CD1-CD1 4.12Å; F17-F411 AromaticContact CD1-CD2 3.74Å; F17-F411 HydrophobicContact CD1-CD2 3.74Å; F17-F411 HydrophobicContact CD1-CE1 4.18Å; F17-F411 AromaticContact CD1-CE2 3.79Å; F17-F411 HydrophobicContact CD1-CE2 3.79Å; F17-F411 AromaticContact CD1-CG 3.92Å; F17-F411 HydrophobicContact CD1-CG 3.92Å; F17-F411 HydrophobicContact CD1-CZ 4.03Å; F17-F411 HydrophobicContact CD2-CE2 4.26Å; F17-F411 AromaticContact CE1-CD2 3.95Å; F17-F411 HydrophobicContact CE1-CD2 3.95Å; F17-F411 HydrophobicContact CE1-CE2 4.36Å; F17-F411 HydrophobicContact CE1-CG 4.17Å; F17-F411 HydrophobicContact CG-CD2 4.14Å; F17-F411 HydrophobicContact CG-CE1 4.42Å; F17-F411 AromaticContact CG-CE2 3.73Å; F17-F411 HydrophobicContact CG-CE2 3.73Å; F17-F411 AromaticContact CG-CZ 3.9Å; F17-F411 HydrophobicContact CG-CZ 3.9Å; I120-F411 HydrophobicContact CB-CE2 4.4Å; I120-F411 HydrophobicContact CB-CZ 4.48Å; I120-F411 HydrophobicContact CG2-CE2 4.24Å; I120-F411 HydrophobicContact CG2-CZ 3.83Å; Q121-F411 HydrophobicContact CG-CD2 3.81Å; Q121-F411 HydrophobicContact CG-CE2 3.65Å; Q121-F411 HydrophobicContact CG-CZ 4.49Å; Q121-F411 PolarHBondContact NE2-O 2.93Å; L406-F411 HydrophobicContact CD2-CB 3.73Å; L406-F411 HydrophobicContact CD2-CD2 4.11Å; L406-F411 HydrophobicContact CD2-CG 4.39Å; L406-F411 HydrophobicContact CG-CB 4.09Å; D407-F411 PolarHBondContact O-N 3.36Å; F411-G414 PolarHBondContact O-N 2.93Å; F411-C415 PolarHBondContact O-N 2.82Å; F411-C415 VanDerWaalsContact O-N 3.11Å; F411-C415 PolarHBondContact O-SG 2.91Å; F411-C415 VanDerWaalsContact O-SG 3.36Å
412L98.4Very high98.1Very high12 Ų1228 Ų286%0.06313%0.133CC..Hα-helixtrans-68.5-34.4179.8-72171.4000112.6D10 A13 V14 K408 T409 E410 G414 C415 R416D10-L412 HydrophobicContact CB-CD1 4Å; D10-L412 HydrophobicContact CB-CD2 3.72Å; D10-L412 HydrophobicContact CB-CG 4.5Å; A13-L412 HydrophobicContact CB-CD2 4.17Å; V14-L412 HydrophobicContact CG2-CD1 4.2Å; V14-L412 HydrophobicContact CG2-CD2 3.89Å; V14-L412 HydrophobicContact CG2-CG 4.11Å; K408-L412 HydrophobicContact CG-CD1 4.04Å; K408-L412 WeakPolarHBondContact O-CB 3.41Å; K408-L412 VanDerWaalsContact O-CG 3.27Å; K408-L412 WeakPolarHBondContact O-CG 3.3Å; K408-L412 PolarHBondContact O-N 3.42Å; T409-L412 PolarHBondContact O-N 3.43Å; E410-L412 PolarHBondContact O-N 3.3Å; L412-G414 VanDerWaalsContact C-N 3.34Å; L412-C415 WeakPolarHBondContact O-CB 3.45Å; L412-C415 PolarHBondContact O-N 2.99Å; L412-R416 PolarHBondContact O-N 3.39Å
413R97.7Very high98.3Very high67 Ų6729.1 Ų29.125%0.25314%0.138SC..Hα-helixtrans-60.2-45.9171.6-177.7-176.1-65.5-87.4-5.2110.6R393 T409 E410 C415 R416 L417R393-R413 VanDerWaalsContact CZ-CZ 3.46Å; R393-R413 VanDerWaalsContact NH2-NH1 3.12Å; T409-R413 WeakPolarHBondContact O-CB 3.34Å; T409-R413 PolarHBondContact O-N 3.41Å; E410-R413 PolarHBondContact O-N 3.23Å; E410-R413 IonicContact OE1-NE 2.82Å; E410-R413 PolarHBondContact OE1-NE 3.38Å; E410-R413 WeakPolarHBondContact OE2-CD 3.14Å; E410-R413 IonicContact OE2-NE 3.64Å; R413-C415 VanDerWaalsContact C-N 3.33Å; R413-C415 PolarHBondContact O-N 3.15Å; R413-R416 PolarHBondContact O-N 3.28Å; R413-L417 PolarHBondContact O-N 3.45Å
414G98.1Very high98.3Very high0 Ų029 Ų290%014%0.142CC..Hα-helixtrans-61.3-37.8175.700000113.2E410 F411 L412 R416 L417 Y418E410-G414 PolarHBondContact O-N 3.43Å; F411-G414 PolarHBondContact O-N 2.93Å; L412-G414 VanDerWaalsContact C-N 3.34Å; G414-R416 VanDerWaalsContact C-N 3.33Å; G414-R416 PolarHBondContact O-N 3.05Å; G414-L417 PolarHBondContact O-N 2.81Å; G414-Y418 WeakPolarHBondContact O-CB 3.29Å; G414-Y418 WeakPolarHBondContact O-CD2 3.17Å; G414-Y418 PolarHBondContact O-N 3.31Å
415C98.5Very high98.3Very high0 Ų029 Ų290%014%0.142CC..Hα-helixtrans-58.4-44173.3-63.30000112.2F411 L412 R413 S419F411-C415 PolarHBondContact O-N 2.82Å; F411-C415 VanDerWaalsContact O-N 3.11Å; F411-C415 PolarHBondContact O-SG 2.91Å; F411-C415 VanDerWaalsContact O-SG 3.36Å; L412-C415 WeakPolarHBondContact O-CB 3.45Å; L412-C415 PolarHBondContact O-N 2.99Å; R413-C415 VanDerWaalsContact C-N 3.33Å; R413-C415 PolarHBondContact O-N 3.15Å; C415-S419 PolarHBondContact O-N 3.39Å; C415-S419 VanDerWaalsContact O-N 3.1Å
416R98Very high98.3Very high86 Ų8627.1 Ų27.133%0.32514%0.135SC..Hα-helixtrans-69.6-42178.2-72.4179.5-78.4-94.71.1111.7D10 L412 R413 G414 S419 D420D10-R416 IonicContact OD1-NH1 3.97Å; D10-R416 PolarHBondContact OD1-NH1 3.34Å; D10-R416 IonicContact OD2-NH1 3.99Å; D10-R416 PolarHBondContact OD2-NH1 2.95Å; L412-R416 PolarHBondContact O-N 3.39Å; R413-R416 PolarHBondContact O-N 3.28Å; G414-R416 VanDerWaalsContact C-N 3.33Å; G414-R416 PolarHBondContact O-N 3.05Å; R416-S419 WeakPolarHBondContact O-CB 3.38Å; R416-S419 PolarHBondContact O-N 3.43Å; R416-D420 PolarHBondContact O-N 3.26Å
417L98.4Very high98.3Very high0 Ų029.8 Ų29.80%015%0.148CC..Hα-helixtrans-62.1-47.5176.8-173.3156000111.3Y197 V347 H351 F389 P391 R413 G414 S419 D420 L421Y197-L417 HydrophobicContact CD2-CD1 4.13Å; Y197-L417 HydrophobicContact CE1-CD1 4.24Å; Y197-L417 HydrophobicContact CE2-CD1 3.28Å; Y197-L417 VanDerWaalsContact OH-CD1 3.31Å; Y197-L417 WeakPolarHBondContact OH-CD1 3.4Å; V347-L417 HydrophobicContact CG1-CG 4.43Å; H351-L417 HydrophobicContact CB-CD1 4.14Å; F389-L417 HydrophobicContact CE1-CD2 3.64Å; F389-L417 HydrophobicContact CZ-CD2 3.87Å; P391-L417 HydrophobicContact CB-CB 4.5Å; P391-L417 HydrophobicContact CB-CD1 4.1Å; P391-L417 HydrophobicContact CB-CD2 3.99Å; P391-L417 HydrophobicContact CB-CG 4.44Å; R413-L417 PolarHBondContact O-N 3.45Å; G414-L417 PolarHBondContact O-N 2.81Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 2.91Å; L417-D420 PolarHBondContact O-N 3.32Å; L417-L421 HydrophobicContact CD2-CB 4.25Å; L417-L421 HydrophobicContact CD2-CD2 4.08Å; L417-L421 VanDerWaalsContact O-CB 3.24Å; L417-L421 WeakPolarHBondContact O-CB 3.43Å; L417-L421 PolarHBondContact O-N 3.27Å
418Y98.6Very high98.3Very high0 Ų029.4 Ų29.40%015%0.145CC..Hα-helixtrans-62.2-35176-88.9-63.7000112.5I118 Q121 Q122 L186 F389 P391 G414 D420 L421 V422I118-Y418 HydrophobicContact CG2-CE2 4.14Å; I118-Y418 VanDerWaalsContact CG2-OH 3.29Å; I118-Y418 WeakPolarHBondContact CG2-OH 3.06Å; Q121-Y418 HydrophobicContact CB-CD2 3.69Å; Q121-Y418 HydrophobicContact CB-CE2 4.04Å; Q122-Y418 HydrophobicContact CG-CD1 4.35Å; Q122-Y418 HydrophobicContact CG-CE1 4.18Å; Q122-Y418 HydrophobicContact CG-CE2 4.3Å; L186-Y418 HydrophobicContact CD1-CD1 4.48Å; L186-Y418 HydrophobicContact CD1-CE1 3.95Å; F389-Y418 HydrophobicContact CD1-CE1 4.32Å; F389-Y418 PolarHBondContact O-OH 3.49Å; P391-Y418 HydrophobicContact CG-CD2 3.57Å; P391-Y418 HydrophobicContact CG-CE2 3.29Å; G414-Y418 WeakPolarHBondContact O-CB 3.29Å; G414-Y418 WeakPolarHBondContact O-CD2 3.17Å; G414-Y418 PolarHBondContact O-N 3.31Å; Y418-D420 PolarHBondContact O-N 3.1Å; Y418-L421 HydrophobicContact CD1-CD2 4.24Å; Y418-L421 HydrophobicContact CE1-CD2 4.39Å; Y418-L421 PolarHBondContact O-N 3.41Å; Y418-V422 PolarHBondContact O-N 3.3Å; Y418-V422 WeakPolarHBondContact O-CG2 3.43Å; Y418-V422 WeakPolarHBondContact O-CB 3.33Å; Y418-V422 VanDerWaalsContact O-CB 3.27Å
419S98.3Very high97.9Very high9 Ų932.1 Ų32.16%0.06317%0.171CC..Hα-helixtrans-55.9-51.9174.1-176.10000110.7A125 L129 C415 R416 L417 Q423A125-S419 VanDerWaalsContact CB-N 3.27Å; L129-S419 WeakPolarHBondContact CD2-OG 3.34Å; L129-S419 WeakPolarHBondContact CG-OG 3.47Å; C415-S419 PolarHBondContact O-N 3.39Å; C415-S419 VanDerWaalsContact O-N 3.1Å; R416-S419 WeakPolarHBondContact O-CB 3.38Å; R416-S419 PolarHBondContact O-N 3.43Å; L417-S419 VanDerWaalsContact C-N 3.28Å; L417-S419 PolarHBondContact O-N 2.91Å; S419-Q423 WeakPolarHBondContact O-CB 3.34Å; S419-Q423 PolarHBondContact O-N 2.84Å
420D98.5Very high97.9Very high71 Ų7129.8 Ų29.838%0.3816%0.155SC..Hα-helixtrans-67.9-38.2179.1-66.5-13.9000112V347 H351 R416 L417 Y418 A424V347-D420 HydrophobicContact CG1-CB 3.89Å; H351-D420 IonicContact CD2-OD2 2.91Å; H351-D420 IonicContact CE1-OD2 2.69Å; H351-D420 IonicContact NE2-OD2 3.94Å; H351-D420 PolarHBondContact NE2-OD2 3.46Å; R416-D420 PolarHBondContact O-N 3.26Å; L417-D420 PolarHBondContact O-N 3.32Å; Y418-D420 PolarHBondContact O-N 3.1Å; D420-A424 WeakPolarHBondContact O-CB 3.1Å; D420-A424 PolarHBondContact O-N 3.01Å
421L98.7Very high98Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-68.5-49.7-177.7-178.359.1000111.7L186 L344 V347 F389 L417 Y418 Q423 A424 L425L186-L421 HydrophobicContact CD1-CD2 3.77Å; L186-L421 HydrophobicContact CD1-CG 4.32Å; L344-L421 HydrophobicContact CB-CD1 4.32Å; L344-L421 HydrophobicContact CD1-CD1 3.88Å; L344-L421 HydrophobicContact CD1-CD2 3.65Å; L344-L421 HydrophobicContact CD1-CG 4.44Å; V347-L421 HydrophobicContact CB-CD1 4.22Å; V347-L421 HydrophobicContact CG1-CB 4.01Å; V347-L421 HydrophobicContact CG1-CD1 4.47Å; V347-L421 HydrophobicContact CG2-CD1 4.31Å; F389-L421 HydrophobicContact CD1-CD2 4.03Å; F389-L421 HydrophobicContact CE1-CD2 3.77Å; L417-L421 HydrophobicContact CD2-CB 4.25Å; L417-L421 HydrophobicContact CD2-CD2 4.08Å; L417-L421 VanDerWaalsContact O-CB 3.24Å; L417-L421 WeakPolarHBondContact O-CB 3.43Å; L417-L421 PolarHBondContact O-N 3.27Å; Y418-L421 HydrophobicContact CD1-CD2 4.24Å; Y418-L421 HydrophobicContact CE1-CD2 4.39Å; Y418-L421 PolarHBondContact O-N 3.41Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-Q423 PolarHBondContact O-N 3.14Å; L421-A424 PolarHBondContact O-N 2.85Å; L421-L425 HydrophobicContact CD1-CD1 3.68Å; L421-L425 PolarHBondContact O-N 3.11Å; L421-L425 WeakPolarHBondContact O-CG 3.3Å; L421-L425 WeakPolarHBondContact O-CD1 3.46Å; L421-L425 WeakPolarHBondContact O-CB 3.37Å; L421-L425 HydrophobicContact CG-CD1 3.66Å; L421-L425 HydrophobicContact CD2-CD1 4.49Å; L421-L425 HydrophobicContact CD1-CG 3.87Å; L421-L425 HydrophobicContact CD1-CD2 4.4Å; L421-L425 HydrophobicContact CG-CG 4.31Å
422V98.5Very high97.9Very high0 Ų032.1 Ų32.10%017%0.168CC..Hα-helixtrans-60.4-45.3178.5171.30000110L78 L129 L137 V141 Y418 A426L78-V422 HydrophobicContact CD1-CG1 4.42Å; L78-V422 HydrophobicContact CD1-CG2 3.57Å; L78-V422 HydrophobicContact CD2-CG2 4.15Å; L129-V422 HydrophobicContact CD1-CB 4.47Å; L129-V422 HydrophobicContact CD1-CG1 4.31Å; L137-V422 HydrophobicContact CD1-CG1 4.31Å; V141-V422 HydrophobicContact CG1-CG1 4.26Å; V141-V422 HydrophobicContact CG2-CG1 4.33Å; Y418-V422 PolarHBondContact O-N 3.3Å; Y418-V422 WeakPolarHBondContact O-CG2 3.43Å; Y418-V422 WeakPolarHBondContact O-CB 3.33Å; Y418-V422 VanDerWaalsContact O-CB 3.27Å; V422-A426 WeakPolarHBondContact O-CB 3.43Å; V422-A426 PolarHBondContact O-N 2.85Å
423Q98.5Very high97.9Very high77 Ų7733.2 Ų33.236%0.3617%0.174SC..Hα-helixtrans-61.5-48.6176.4-174.9176.324.800111.7L129 L137 S419 L421 L425 A426 E427L129-Q423 HydrophobicContact CD1-CB 4.1Å; L129-Q423 HydrophobicContact CD2-CB 3.77Å; L129-Q423 HydrophobicContact CD2-CG 4.21Å; L137-Q423 HydrophobicContact CD2-CB 4.43Å; L137-Q423 HydrophobicContact CD2-CG 4.03Å; S419-Q423 WeakPolarHBondContact O-CB 3.34Å; S419-Q423 PolarHBondContact O-N 2.84Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-Q423 PolarHBondContact O-N 3.14Å; Q423-L425 PolarHBondContact O-N 3.18Å; Q423-A426 PolarHBondContact O-N 3.36Å; Q423-E427 WeakPolarHBondContact O-CB 3.38Å; Q423-E427 WeakPolarHBondContact O-CG 3.49Å; Q423-E427 PolarHBondContact O-N 3.01Å
424A98.5Very high97.9Very high34 Ų3431.1 Ų31.128%0.28117%0.169SC..Hα-helixtrans-64.6-42.5-177.200000112.5T343 V347 D420 L421 L428T343-A424 HydrophobicContact CG2-CB 3.55Å; V347-A424 HydrophobicContact CG2-CB 3.83Å; D420-A424 WeakPolarHBondContact O-CB 3.1Å; D420-A424 PolarHBondContact O-N 3.01Å; L421-A424 PolarHBondContact O-N 2.85Å; A424-L428 PolarHBondContact O-N 2.83Å
425L98.5Very high97.9Very high0 Ų033.2 Ų33.20%018%0.18CC..Hα-helixtrans-65.9-45.9176.7-67.1164.8000110.9I76 F184 L186 W340 T343 L421 Q423 E427 L428I76-L425 HydrophobicContact CD1-CB 3.56Å; F184-L425 HydrophobicContact CD1-CD1 4.29Å; F184-L425 HydrophobicContact CD1-CD2 4.42Å; F184-L425 HydrophobicContact CE1-CD1 3.63Å; F184-L425 HydrophobicContact CE1-CD2 3.94Å; F184-L425 HydrophobicContact CE1-CG 4.39Å; F184-L425 HydrophobicContact CZ-CD2 4.37Å; L186-L425 HydrophobicContact CD1-CD1 3.97Å; W340-L425 HydrophobicContact CE3-CD2 3.75Å; W340-L425 HydrophobicContact CZ3-CB 4.37Å; W340-L425 HydrophobicContact CZ3-CD2 4.42Å; T343-L425 HydrophobicContact CG2-CD2 3.75Å; T343-L425 HydrophobicContact CG2-CG 3.96Å; L421-L425 HydrophobicContact CD1-CD1 3.68Å; L421-L425 PolarHBondContact O-N 3.11Å; L421-L425 WeakPolarHBondContact O-CG 3.3Å; L421-L425 WeakPolarHBondContact O-CD1 3.46Å; L421-L425 WeakPolarHBondContact O-CB 3.37Å; L421-L425 HydrophobicContact CG-CD1 3.66Å; L421-L425 HydrophobicContact CD2-CD1 4.49Å; L421-L425 HydrophobicContact CD1-CG 3.87Å; L421-L425 HydrophobicContact CD1-CD2 4.4Å; L421-L425 HydrophobicContact CG-CG 4.31Å; Q423-L425 PolarHBondContact O-N 3.18Å; L425-E427 PolarHBondContact O-N 3.21Å; L425-L428 HydrophobicContact CD2-CD1 4.47Å; L425-L428 WeakPolarHBondContact O-CB 3.46Å; L425-L428 PolarHBondContact O-N 3.1Å
426A98.4Very high97.9Very high0 Ų035.6 Ų35.60%019%0.193CC..Hα-helixtrans-69.3-24-176.100000113I76 L137 R138 R139 V141 V422 Q423I76-A426 HydrophobicContact CD1-CB 3.79Å; I76-A426 VanDerWaalsContact CD1-N 3.27Å; L137-A426 HydrophobicContact CB-CB 3.81Å; L137-A426 HydrophobicContact CD1-CB 3.68Å; L137-A426 HydrophobicContact CD2-CB 4.26Å; L137-A426 HydrophobicContact CG-CB 4.12Å; R138-A426 VanDerWaalsContact CB-O 3.31Å; R138-A426 WeakPolarHBondContact CB-O 3.36Å; R139-A426 WeakPolarHBondContact CG-O 3.2Å; R139-A426 PolarHBondContact N-O 3.26Å; V141-A426 HydrophobicContact CG2-CB 3.9Å; V422-A426 WeakPolarHBondContact O-CB 3.43Å; V422-A426 PolarHBondContact O-N 2.85Å; Q423-A426 PolarHBondContact O-N 3.36Å
427E98.3Very high97.8Very high57 Ų5731.7 Ų31.727%0.26618%0.183SC..THydrogen-bonded Turntrans-92.37175.6-70.5-60.6147.700114.3Y69 L137 R138 Q423 L425Y69-E427 PolarHBondContact OH-OE2 3.01Å; L137-E427 VanDerWaalsContact CA-OE1 3.29Å; L137-E427 WeakPolarHBondContact CA-OE1 3.29Å; L137-E427 HydrophobicContact CD2-CG 4.18Å; R138-E427 VanDerWaalsContact CZ-O 3.31Å; R138-E427 IonicContact CZ-OE2 3.61Å; R138-E427 PolarHBondContact N-OE1 2.85Å; R138-E427 IonicContact NE-OE2 2.66Å; R138-E427 PolarHBondContact NH1-O 3.26Å; R138-E427 IonicContact NH2-OE2 3.86Å; R138-E427 PolarHBondContact NH2-OE2 3.16Å; Q423-E427 WeakPolarHBondContact O-CB 3.38Å; Q423-E427 WeakPolarHBondContact O-CG 3.49Å; Q423-E427 PolarHBondContact O-N 3.01Å; L425-E427 PolarHBondContact O-N 3.21Å
428L97.5Very high97.8Very high28 Ų2834.3 Ų34.315%0.14720%0.198CC..  trans-62.8137.1171.5-77.6171.7000111.2R138 R139 P339 W340 A424 L425R138-L428 VanDerWaalsContact NH1-C 3.27Å; R138-L428 PolarHBondContact NH1-O 3.32Å; R139-L428 PolarHBondContact NE-O 3.32Å; R139-L428 VanDerWaalsContact NE-O 3.13Å; R139-L428 PolarHBondContact NH2-O 3.07Å; P339-L428 HydrophobicContact CB-CD1 4.31Å; P339-L428 HydrophobicContact CB-CD2 4.37Å; W340-L428 HydrophobicContact CD2-CD1 4.19Å; W340-L428 HydrophobicContact CE3-CD1 3.47Å; W340-L428 VanDerWaalsContact CE3-CD1 3.47Å; W340-L428 HydrophobicContact CH2-CD1 4.43Å; W340-L428 HydrophobicContact CZ3-CD1 3.61Å; A424-L428 PolarHBondContact O-N 2.83Å; L425-L428 HydrophobicContact CD2-CD1 4.47Å; L425-L428 WeakPolarHBondContact O-CB 3.46Å; L425-L428 PolarHBondContact O-N 3.1Å
429P91.3Very high97.7Very high136 Ų13637.5 Ų37.588%0.88322%0.216SC*.  trans-620-179.828.3-34.7000113.9R138 R139R138-P429 VanDerWaalsContact NH1-N 3.12Å; R139-P429 PolarHBondContact NH2-O 3.35Å

Retrieved 429 of 429 residues in 118.2 ms (Link to these results)

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