A0A087YNR3_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A087YNR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 293 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
1M44.7Very low85.5Confident242 Ų24262.6 Ų62.6100%1.19236%0.355SS*.  0113.90-71.5-176.9-93.800105.7S3M1-S3 PolarHBondContact O-N 3.29Å
2A54.9Low86.4Confident95 Ų9558.4 Ų58.479%0.78533%0.331SS*.PPolyproline II helixtrans-61.4126.1176.200000107.5Q4A2-Q4 PolarHBondContact O-N 3.25Å
3S78.8Confident87.1Confident103 Ų10353.9 Ų53.972%0.7231%0.306SS*.PPolyproline II helixtrans-65.5119.617552.40000107.8M1M1-S3 PolarHBondContact O-N 3.29Å
4Q87.9Confident87.5Confident89 Ų8957.2 Ų57.242%0.41632%0.315SS..PPolyproline II helixtrans-56.8140.3174.9-68.8176.9-41.300109.7A2 D34 D35 L37A2-Q4 PolarHBondContact O-N 3.25Å; Q4-D34 PolarHBondContact NE2-O 3.26Å; Q4-D35 VanDerWaalsContact CA-O 3.26Å; Q4-D35 WeakPolarHBondContact CA-O 3.26Å; Q4-L37 HydrophobicContact CB-CD2 4.18Å; Q4-L37 HydrophobicContact CB-CG 3.9Å
5T92.4Very high88Confident27 Ų2754.5 Ų54.517%0.16630%0.3CS..BIsolated β-bridgetrans-88.1130.5180-62.80000110.2D35 L36 L37 L75 N76 W89T5-D35 PolarHBondContact N-O 3.42Å; T5-L36 HydrophobicContact CG2-CD2 4.25Å; T5-L36 WeakPolarHBondContact O-CA 3.38Å; T5-L37 PolarHBondContact O-N 2.98Å; T5-L75 HydrophobicContact CG2-CD2 4.2Å; T5-N76 WeakPolarHBondContact CA-OD1 3.4Å; T5-W89 HydrophobicContact CG2-CH2 4.2Å; T5-W89 HydrophobicContact CG2-CZ2 4.02Å
6Q95.8Very high88.4Confident73 Ų7353.4 Ų53.434%0.34130%0.296SS..PPolyproline II helixtrans-97127.2171.9-167.717137.400109.8L37 V40 L75 N76Q6-L37 HydrophobicContact CB-CB 4.49Å; Q6-L37 HydrophobicContact CB-CD1 4.12Å; Q6-L37 HydrophobicContact CG-CD1 4.46Å; Q6-V40 HydrophobicContact CG-CG2 4.4Å; Q6-L75 WeakPolarHBondContact O-CA 3.22Å; Q6-N76 PolarHBondContact N-OD1 2.81Å; Q6-N76 PolarHBondContact O-N 3.49Å
7I97.4Very high88.8Confident3 Ų354 Ų542%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-103.5128.3171.5-54.5168.9000107.4I9 A25 L28 L36 P39 V40 L75 L86 W89I7-I9 HydrophobicContact CG2-CD1 4.4Å; I7-I9 HydrophobicContact CG2-CG1 4.18Å; I7-A25 HydrophobicContact CB-CB 4.36Å; I7-A25 HydrophobicContact CD1-CB 4.24Å; I7-A25 HydrophobicContact CG2-CB 3.83Å; I7-L28 HydrophobicContact CD1-CD1 3.81Å; I7-L36 HydrophobicContact CD1-CD2 4.25Å; I7-P39 CarbonylContact O-C 3.53Å; I7-P39 WeakPolarHBondContact O-CA 3.34Å; I7-V40 PolarHBondContact O-N 3.33Å; I7-L75 HydrophobicContact CG1-CD2 3.91Å; I7-L86 HydrophobicContact CG2-CD1 4.06Å; I7-W89 HydrophobicContact CD1-CH2 3.9Å; I7-W89 HydrophobicContact CD1-CZ3 3.7Å; I7-W89 HydrophobicContact CG1-CH2 4.08Å; I7-W89 HydrophobicContact CG1-CZ3 4.14Å
8E97.8Very high89.2Confident56 Ų5651 Ų5126%0.26228%0.282SS..EExtended strand (participates in β ladder)trans-120.6133.8172.4174.6-177-179.800109.4V10 V40 C73 F74E8-V10 HydrophobicContact CG-CG2 4.13Å; E8-V40 CarbonylContact C-O 3.56Å; E8-V40 VanDerWaalsContact CA-O 3.32Å; E8-V40 WeakPolarHBondContact CA-O 3.42Å; E8-V40 HydrophobicContact CB-CB 4.09Å; E8-V40 HydrophobicContact CG-CB 4.09Å; E8-V40 HydrophobicContact CG-CG1 4.15Å; E8-C73 CarbonylContact O-C 3.52Å; E8-C73 WeakPolarHBondContact O-CA 3.47Å; E8-F74 HydrophobicContact CB-CB 4.21Å; E8-F74 HydrophobicContact CG-CD2 4.32Å; E8-F74 PolarHBondContact N-O 3.48Å; E8-F74 PolarHBondContact O-N 3.3Å
9I97.4Very high89.6Confident0 Ų048.3 Ų48.30%027%0.267CS..EExtended strand (participates in β ladder)trans-127.4119.9-179.3-60.4171.9000107.9I7 F18 A21 A25 V40 I41 V42 V71 L86I7-I9 HydrophobicContact CG2-CD1 4.4Å; I7-I9 HydrophobicContact CG2-CG1 4.18Å; I9-F18 HydrophobicContact CG2-CD2 3.89Å; I9-F18 HydrophobicContact CG2-CE2 3.93Å; I9-A21 HydrophobicContact CD1-CB 3.95Å; I9-A21 WeakPolarHBondContact CD1-O 3.32Å; I9-A21 HydrophobicContact CG1-CB 4.49Å; I9-A21 HydrophobicContact CG2-CB 3.96Å; I9-A25 HydrophobicContact CD1-CB 3.48Å; I9-A25 VanDerWaalsContact CD1-CB 3.48Å; I9-V40 PolarHBondContact N-O 3.26Å; I9-I41 HydrophobicContact CB-CD1 3.96Å; I9-I41 HydrophobicContact CD1-CD1 3.8Å; I9-I41 HydrophobicContact CG1-CD1 4.2Å; I9-V42 PolarHBondContact O-N 3.07Å; I9-V71 HydrophobicContact CG2-CG2 3.64Å; I9-L86 HydrophobicContact CD1-CD2 3.94Å; I9-L86 HydrophobicContact CG1-CD2 4.4Å
10V97.1Very high89.9Confident1 Ų146.6 Ų46.61%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-119125.7175.7-168.80000108.1E8 V42 L44 W49 Y52 V71 I72 F74E8-V10 HydrophobicContact CG-CG2 4.13Å; V10-V42 WeakPolarHBondContact CA-O 3.33Å; V10-V42 HydrophobicContact CB-CB 4.23Å; V10-V42 HydrophobicContact CG1-CB 4Å; V10-V42 HydrophobicContact CG1-CG1 4.01Å; V10-V42 HydrophobicContact CG2-CB 3.95Å; V10-V42 HydrophobicContact CG2-CG2 4.12Å; V10-L44 HydrophobicContact CG1-CD1 3.57Å; V10-L44 HydrophobicContact CG1-CG 4.28Å; V10-W49 HydrophobicContact CG1-CZ3 4.14Å; V10-W49 WeakPolarHBondContact O-CZ3 3.47Å; V10-Y52 HydrophobicContact CB-CE1 4.24Å; V10-Y52 HydrophobicContact CG1-CD1 4.14Å; V10-Y52 HydrophobicContact CG1-CD2 4.36Å; V10-Y52 HydrophobicContact CG1-CE1 3.74Å; V10-Y52 HydrophobicContact CG1-CE2 4Å; V10-Y52 HydrophobicContact CG1-CG 4.43Å; V10-V71 CarbonylContact O-C 3.53Å; V10-V71 WeakPolarHBondContact O-CA 3.34Å; V10-I72 PolarHBondContact N-O 2.78Å; V10-I72 PolarHBondContact O-N 2.79Å; V10-F74 HydrophobicContact CG2-CE2 4.18Å
11G96.3Very high90.2Very high0 Ų044.3 Ų44.30%025%0.247CC..EExtended strand (participates in β ladder)trans-170172.3-178.900000115.4V42 L44 N70G11-V42 PolarHBondContact N-O 3.48Å; G11-L44 PolarHBondContact O-N 3Å; G11-N70 CarbonylContact C-O 3.44Å; G11-N70 WeakPolarHBondContact CA-O 3.49Å
12V96.4Very high92.6Very high12 Ų1234 Ų347%0.07320%0.195CC..EExtended strand (participates in β ladder)trans-73.9124.4179.1177.10000109.7K14 D15 F18 L44 W49 N70V12-K14 HydrophobicContact CG1-CB 4.26Å; V12-K14 PolarHBondContact O-N 3.25Å; V12-K14 VanDerWaalsContact O-N 3.12Å; V12-D15 HydrophobicContact CB-CB 4.25Å; V12-D15 WeakPolarHBondContact O-CB 3.44Å; V12-D15 PolarHBondContact O-N 2.99Å; V12-F18 WeakPolarHBondContact O-CB 3.4Å; V12-L44 CarbonylContact C-O 3.59Å; V12-L44 VanDerWaalsContact CA-O 3.29Å; V12-L44 WeakPolarHBondContact CA-O 3.46Å; V12-W49 HydrophobicContact CG2-CB 3.42Å; V12-W49 VanDerWaalsContact CG2-CB 3.42Å; V12-W49 HydrophobicContact CG2-CD2 3.78Å; V12-W49 HydrophobicContact CG2-CE3 4.5Å; V12-W49 HydrophobicContact CG2-CG 3.24Å; V12-N70 HydrophobicContact CB-CB 3.77Å; V12-N70 HydrophobicContact CG2-CB 3.64Å; V12-N70 PolarHBondContact N-O 2.95Å
13I95.1Very high94.6Very high0 Ų030.3 Ų30.30%016%0.163CC..THydrogen-bonded Turntrans-59.3-29.6-176.8-64.6161.8000112.3D15 H19 P43 L44 L45 T109 Y112 Y113 H116I13-D15 VanDerWaalsContact C-N 3.33Å; I13-H19 PolarHBondContact O-NE2 2.93Å; I13-P43 HydrophobicContact CD1-CB 3.71Å; I13-P43 HydrophobicContact CG1-CB 3.42Å; I13-P43 VanDerWaalsContact CG1-CB 3.42Å; I13-L44 WeakPolarHBondContact CG1-O 3.35Å; I13-L44 PolarHBondContact N-O 3.45Å; I13-L45 HydrophobicContact CD1-CD2 4.13Å; I13-L45 HydrophobicContact CD1-CG 4.41Å; I13-T109 WeakPolarHBondContact O-CG2 3.39Å; I13-Y112 HydrophobicContact CG2-CD1 3.59Å; I13-Y112 HydrophobicContact CG2-CE1 4Å; I13-Y113 HydrophobicContact CB-CD2 4.39Å; I13-Y113 HydrophobicContact CG2-CD2 3.98Å; I13-H116 HydrophobicContact CD1-CB 4.48Å
14K93.7Very high95.4Very high100 Ų10025.9 Ų25.944%0.43513%0.131SC..THydrogen-bonded Turntrans-90.24.9-178.2-154.1170.5-177.3178.20113.7V12 T109 Y113 E261V12-K14 HydrophobicContact CG1-CB 4.26Å; V12-K14 PolarHBondContact O-N 3.25Å; V12-K14 VanDerWaalsContact O-N 3.12Å; K14-T109 VanDerWaalsContact C-CG2 3.44Å; K14-T109 WeakPolarHBondContact O-CG2 3.49Å; K14-Y113 HydrophobicContact CB-CD2 4.43Å; K14-Y113 HydrophobicContact CD-CE2 4.45Å; K14-E261 WeakPolarHBondContact CD-OE1 3.43Å; K14-E261 IonicContact NZ-OE1 3.84Å; K14-E261 PolarHBondContact NZ-OE1 2.91Å; K14-E261 IonicContact NZ-OE2 3.99Å; K14-E261 PolarHBondContact NZ-OE2 3.38Å
15D94.5Very high95.8Very high17 Ų1721.6 Ų21.69%0.09111%0.111CC..  trans-96.8120174.8-168-27.9000110V12 I13 N17 F18 H19 N70V12-D15 HydrophobicContact CB-CB 4.25Å; V12-D15 WeakPolarHBondContact O-CB 3.44Å; V12-D15 PolarHBondContact O-N 2.99Å; I13-D15 VanDerWaalsContact C-N 3.33Å; D15-N17 PolarHBondContact O-N 3.41Å; D15-N17 VanDerWaalsContact O-N 3.12Å; D15-N17 VanDerWaalsContact OD1-CB 3.27Å; D15-N17 WeakPolarHBondContact OD1-CB 3.47Å; D15-N17 PolarHBondContact OD1-N 2.82Å; D15-N17 PolarHBondContact OD1-ND2 2.88Å; D15-F18 WeakPolarHBondContact O-CB 3.49Å; D15-F18 PolarHBondContact O-N 3.13Å; D15-H19 PolarHBondContact O-CD2 3.32Å; D15-N70 HydrophobicContact CB-CB 4.05Å; D15-N70 WeakPolarHBondContact OD2-CB 3.11Å; D15-N70 PolarHBondContact OD2-ND2 2.8Å
16P94.8Very high96Very high37 Ų3724.5 Ų24.524%0.2412%0.123CC..Hα-helixtrans-52.1-32173.6-28.636.4000114.1F18 H19 A20 T109P16-F18 VanDerWaalsContact C-N 3.29Å; P16-F18 PolarHBondContact O-N 2.87Å; P16-H19 PolarHBondContact O-N 3.23Å; P16-H19 VanDerWaalsContact O-N 3.13Å; P16-A20 PolarHBondContact O-N 3.23Å; P16-T109 WeakPolarHBondContact CA-OG1 3.46Å
17N94.8Very high96Very high63 Ų6321.7 Ų21.734%0.33711%0.113SC..Hα-helixtrans-65.7-31.6178.9-62.4-50.5000112.5D15 H19 A20 A21 V71 E83D15-N17 PolarHBondContact O-N 3.41Å; D15-N17 VanDerWaalsContact O-N 3.12Å; D15-N17 VanDerWaalsContact OD1-CB 3.27Å; D15-N17 WeakPolarHBondContact OD1-CB 3.47Å; D15-N17 PolarHBondContact OD1-N 2.82Å; D15-N17 PolarHBondContact OD1-ND2 2.88Å; N17-H19 VanDerWaalsContact C-N 3.33Å; N17-A20 PolarHBondContact O-N 2.89Å; N17-A21 PolarHBondContact O-N 2.98Å; N17-V71 HydrophobicContact CB-CG1 3.95Å; N17-E83 HydrophobicContact CB-CB 4.43Å; N17-E83 HydrophobicContact CB-CG 3.89Å
18F96.3Very high95.9Very high0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-63-42.2172.8166.5-103000111I9 V12 D15 P16 A21 R22 I41 P43 V71I9-F18 HydrophobicContact CG2-CD2 3.89Å; I9-F18 HydrophobicContact CG2-CE2 3.93Å; V12-F18 WeakPolarHBondContact O-CB 3.4Å; D15-F18 WeakPolarHBondContact O-CB 3.49Å; D15-F18 PolarHBondContact O-N 3.13Å; P16-F18 VanDerWaalsContact C-N 3.29Å; P16-F18 PolarHBondContact O-N 2.87Å; F18-A21 PolarHBondContact O-N 2.86Å; F18-R22 WeakPolarHBondContact O-CB 3.13Å; F18-R22 PolarHBondContact O-N 2.87Å; F18-I41 HydrophobicContact CE2-CG2 4.07Å; F18-I41 HydrophobicContact CZ-CG2 3.61Å; F18-P43 HydrophobicContact CE1-CB 4.29Å; F18-P43 HydrophobicContact CZ-CB 3.9Å; F18-V71 HydrophobicContact CB-CB 4.32Å; F18-V71 HydrophobicContact CD2-CG2 4.3Å
19H95.9Very high95.8Very high0 Ų020.9 Ų20.90%011%0.109CC..Hα-helixtrans-72.9-33.4178.4-61.6-80.5000112.5I13 D15 P16 N17 R22 S23 Y105 I108 T109 Y112I13-H19 PolarHBondContact O-NE2 2.93Å; D15-H19 PolarHBondContact O-CD2 3.32Å; P16-H19 PolarHBondContact O-N 3.23Å; P16-H19 VanDerWaalsContact O-N 3.13Å; N17-H19 VanDerWaalsContact C-N 3.33Å; H19-R22 PolarHBondContact ND1-NH1 3.21Å; H19-R22 PolarHBondContact ND1-NH2 3.38Å; H19-R22 PolarHBondContact O-N 3.33Å; H19-S23 WeakPolarHBondContact O-CB 3.36Å; H19-S23 PolarHBondContact O-N 3.14Å; H19-S23 PolarHBondContact O-OG 3Å; H19-S23 VanDerWaalsContact O-OG 3.13Å; H19-Y105 HydrophobicContact CB-CD1 4.29Å; H19-I108 HydrophobicContact CB-CD1 3.73Å; H19-I108 HydrophobicContact CB-CG1 3.96Å; H19-T109 PolarHBondContact CD2-OG1 3.48Å; H19-Y112 AromaticContact CE1-CD1 3.68Å; H19-Y112 AromaticContact CE1-CG 3.61Å
20A95.2Very high95.7Very high13 Ų1328.9 Ų28.911%0.10715%0.146CC..Hα-helixtrans-60.2-49.2170.800000111.5P16 N17 R22 S23 I24 Y105P16-A20 PolarHBondContact O-N 3.23Å; N17-A20 PolarHBondContact O-N 2.89Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 3.06Å; A20-S23 PolarHBondContact O-N 2.87Å; A20-I24 WeakPolarHBondContact O-CG1 3.35Å; A20-I24 PolarHBondContact O-N 2.86Å; A20-Y105 HydrophobicContact CB-CD1 4.03Å; A20-Y105 HydrophobicContact CB-CD2 4.21Å; A20-Y105 HydrophobicContact CB-CE1 3.89Å; A20-Y105 HydrophobicContact CB-CE2 4Å; A20-Y105 HydrophobicContact CB-CG 4.23Å
21A96.3Very high95.6Very high0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-58.4-46.5174.700000111.4I9 N17 F18 S23 I24 A25 V71 E83 L86I9-A21 HydrophobicContact CD1-CB 3.95Å; I9-A21 WeakPolarHBondContact CD1-O 3.32Å; I9-A21 HydrophobicContact CG1-CB 4.49Å; I9-A21 HydrophobicContact CG2-CB 3.96Å; N17-A21 PolarHBondContact O-N 2.98Å; F18-A21 PolarHBondContact O-N 2.86Å; A21-S23 PolarHBondContact O-N 3.13Å; A21-I24 PolarHBondContact O-N 3.5Å; A21-A25 PolarHBondContact O-N 2.69Å; A21-V71 HydrophobicContact CB-CG2 3.94Å; A21-E83 HydrophobicContact CB-CB 3.99Å; A21-L86 HydrophobicContact CB-CD2 4Å
22R96.3Very high95.6Very high25 Ų2536.2 Ų36.29%0.09418%0.18CC..Hα-helixtrans-56.9-50.6178.4-174.6-172.475.1-146.8-7.2111.3F18 H19 A20 I24 A25 E26 I41F18-R22 WeakPolarHBondContact O-CB 3.13Å; F18-R22 PolarHBondContact O-N 2.87Å; H19-R22 PolarHBondContact ND1-NH1 3.21Å; H19-R22 PolarHBondContact ND1-NH2 3.38Å; H19-R22 PolarHBondContact O-N 3.33Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 3.06Å; R22-I24 VanDerWaalsContact C-N 3.29Å; R22-I24 PolarHBondContact O-N 3.41Å; R22-A25 PolarHBondContact O-N 2.98Å; R22-A25 VanDerWaalsContact O-N 3.15Å; R22-E26 WeakPolarHBondContact CD-OE1 3.43Å; R22-E26 HydrophobicContact CG-CG 4.23Å; R22-E26 WeakPolarHBondContact CG-OE1 3.44Å; R22-E26 IonicContact NE-OE1 2.59Å; R22-E26 IonicContact NE-OE2 2.8Å; R22-E26 WeakPolarHBondContact O-CG 3.47Å; R22-E26 PolarHBondContact O-N 3.3Å; R22-I41 HydrophobicContact CB-CD1 4.44Å; R22-I41 HydrophobicContact CG-CD1 3.91Å; R22-I41 HydrophobicContact CG-CG1 4.06Å; R22-I41 HydrophobicContact CG-CG2 4.14Å
23S95.8Very high95.4Very high17 Ų1738.8 Ų38.812%0.11920%0.197CC..Hα-helixtrans-61.9-36-179.6-67.30000112.4H19 A20 A21 G27 L98H19-S23 WeakPolarHBondContact O-CB 3.36Å; H19-S23 PolarHBondContact O-N 3.14Å; H19-S23 PolarHBondContact O-OG 3Å; H19-S23 VanDerWaalsContact O-OG 3.13Å; A20-S23 PolarHBondContact O-N 2.87Å; A21-S23 PolarHBondContact O-N 3.13Å; S23-G27 PolarHBondContact O-N 3.33Å; S23-L98 VanDerWaalsContact C-CD2 3.49Å; S23-L98 WeakPolarHBondContact O-CD2 3.34Å
24I96.3Very high95.4Very high10 Ų1045 Ų455%0.05123%0.23CC..Hα-helixtrans-62.5-48.9173.4-68.3161.7000110.6A20 A21 R22 G27 L28 L86 A87 A90 F96 L98A20-I24 WeakPolarHBondContact O-CG1 3.35Å; A20-I24 PolarHBondContact O-N 2.86Å; A21-I24 PolarHBondContact O-N 3.5Å; R22-I24 VanDerWaalsContact C-N 3.29Å; R22-I24 PolarHBondContact O-N 3.41Å; I24-G27 PolarHBondContact O-N 3.14Å; I24-L28 HydrophobicContact CG2-CD1 4.06Å; I24-L28 HydrophobicContact CG2-CG 4.49Å; I24-L28 WeakPolarHBondContact O-CB 3.45Å; I24-L28 WeakPolarHBondContact O-CG 3.35Å; I24-L28 PolarHBondContact O-N 2.8Å; I24-L86 HydrophobicContact CB-CD2 4.29Å; I24-L86 HydrophobicContact CG2-CD2 4.17Å; I24-L86 HydrophobicContact CG2-CG 4.06Å; I24-A87 HydrophobicContact CD1-CB 3.79Å; I24-A90 HydrophobicContact CG2-CB 3.93Å; I24-F96 HydrophobicContact CG2-CD1 4.42Å; I24-F96 HydrophobicContact CG2-CE1 4.21Å; I24-L98 HydrophobicContact CG1-CB 4.29Å; I24-L98 HydrophobicContact CG1-CD2 4.46Å
25A96.7Very high95.3Very high0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-66.4-41.9-178.300000113.1I7 I9 A21 R22 K29 P39I7-A25 HydrophobicContact CB-CB 4.36Å; I7-A25 HydrophobicContact CD1-CB 4.24Å; I7-A25 HydrophobicContact CG2-CB 3.83Å; I9-A25 HydrophobicContact CD1-CB 3.48Å; I9-A25 VanDerWaalsContact CD1-CB 3.48Å; A21-A25 PolarHBondContact O-N 2.69Å; R22-A25 PolarHBondContact O-N 2.98Å; R22-A25 VanDerWaalsContact O-N 3.15Å; A25-K29 PolarHBondContact O-N 2.82Å; A25-P39 HydrophobicContact CB-CB 3.83Å; A25-P39 HydrophobicContact CB-CG 4.36Å
26E96.1Very high95.3Very high88 Ų8843.2 Ų43.241%0.41123%0.225SC..Hα-helixtrans-64.4-44.4175.5-71.7172.2165.200111.4R22 K29 Q30 P39R22-E26 WeakPolarHBondContact CD-OE1 3.43Å; R22-E26 HydrophobicContact CG-CG 4.23Å; R22-E26 WeakPolarHBondContact CG-OE1 3.44Å; R22-E26 IonicContact NE-OE1 2.59Å; R22-E26 IonicContact NE-OE2 2.8Å; R22-E26 WeakPolarHBondContact O-CG 3.47Å; R22-E26 PolarHBondContact O-N 3.3Å; E26-K29 PolarHBondContact O-N 3.4Å; E26-Q30 WeakPolarHBondContact O-CB 3.35Å; E26-Q30 PolarHBondContact O-N 3.25Å; E26-P39 HydrophobicContact CG-CG 4.32Å
27G95.9Very high95.3Very high13 Ų1344.5 Ų44.513%0.13423%0.23CC..Hα-helixtrans-64.6-41.3177.800000113S23 I24 Q30 Q31S23-G27 PolarHBondContact O-N 3.33Å; I24-G27 PolarHBondContact O-N 3.14Å; G27-Q30 PolarHBondContact O-N 3.4Å; G27-Q31 PolarHBondContact O-N 3.48Å
28L95.5Very high95.4Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-58.5-49.4172.8-85.4174.3000111.5I7 I24 Q30 Q31 F32 L36 W89 A90 W94 F96I7-L28 HydrophobicContact CD1-CD1 3.81Å; I24-L28 HydrophobicContact CG2-CD1 4.06Å; I24-L28 HydrophobicContact CG2-CG 4.49Å; I24-L28 WeakPolarHBondContact O-CB 3.45Å; I24-L28 WeakPolarHBondContact O-CG 3.35Å; I24-L28 PolarHBondContact O-N 2.8Å; L28-Q30 VanDerWaalsContact C-N 3.28Å; L28-Q30 PolarHBondContact O-N 2.87Å; L28-Q31 PolarHBondContact O-N 3.31Å; L28-F32 HydrophobicContact CD2-CD2 4.08Å; L28-F32 HydrophobicContact CD2-CE2 4.1Å; L28-F32 WeakPolarHBondContact O-CD2 3.2Å; L28-F32 PolarHBondContact O-N 2.77Å; L28-L36 VanDerWaalsContact C-CD1 3.49Å; L28-L36 HydrophobicContact CB-CD1 3.61Å; L28-L36 WeakPolarHBondContact O-CD1 3.2Å; L28-W89 HydrophobicContact CD1-CE3 4.28Å; L28-W89 HydrophobicContact CD1-CH2 4.35Å; L28-W89 HydrophobicContact CD1-CZ3 3.54Å; L28-A90 HydrophobicContact CD1-CB 3.78Å; L28-A90 HydrophobicContact CD2-CB 4.25Å; L28-A90 HydrophobicContact CG-CB 4.29Å; L28-W94 HydrophobicContact CD2-CB 3.77Å; L28-W94 HydrophobicContact CD2-CG 3.86Å; L28-F96 HydrophobicContact CD2-CB 3.49Å; L28-F96 VanDerWaalsContact CD2-CB 3.49Å; L28-F96 HydrophobicContact CD2-CD1 3.77Å; L28-F96 HydrophobicContact CD2-CD2 4.12Å; L28-F96 HydrophobicContact CD2-CG 3.51Å; L28-F96 HydrophobicContact CG-CB 4.41Å; L28-F96 HydrophobicContact CG-CD1 3.72Å; L28-F96 HydrophobicContact CG-CE1 4.08Å; L28-F96 HydrophobicContact CG-CG 3.96Å
29K95.7Very high95.4Very high43 Ų4348.6 Ų48.619%0.18725%0.253CS..Hα-helixtrans-61.2-38.2177.8174.857.1-179.6176.10112A25 E26 F32 P33 L36 D38A25-K29 PolarHBondContact O-N 2.82Å; E26-K29 PolarHBondContact O-N 3.4Å; K29-F32 CarbonylContact O-C 3.43Å; K29-P33 PolarHBondContact NZ-O 2.95Å; K29-P33 WeakPolarHBondContact O-CA 3.38Å; K29-L36 HydrophobicContact CD-CB 4.13Å; K29-L36 WeakPolarHBondContact CD-O 3.4Å; K29-L36 PolarHBondContact NZ-O 2.9Å; K29-D38 WeakPolarHBondContact CE-OD1 3.49Å
30Q95.7Very high95.5Very high167 Ų16751.1 Ų51.178%0.7827%0.269SS*.Hα-helixtrans-64.7-39.1177.2-173.4179.69.400112.2E26 G27 L28E26-Q30 WeakPolarHBondContact O-CB 3.35Å; E26-Q30 PolarHBondContact O-N 3.25Å; G27-Q30 PolarHBondContact O-N 3.4Å; L28-Q30 VanDerWaalsContact C-N 3.28Å; L28-Q30 PolarHBondContact O-N 2.87Å
31Q95.3Very high95.6Very high113 Ų11352.5 Ų52.553%0.52827%0.274SS..Hα-helixtrans-82.4-31.2-178-171.7168-14.100113.2G27 L28 P33G27-Q31 PolarHBondContact O-N 3.48Å; L28-Q31 PolarHBondContact O-N 3.31Å; Q31-P33 VanDerWaalsContact C-CD 3.44Å; Q31-P33 WeakPolarHBondContact O-CD 3.3Å
32F94.4Very high95.6Very high42 Ų4254.7 Ų54.718%0.18429%0.287CS..  trans-126.464.6-177.2-50.7-77.2000111.4L28 K29 D34 D35 L36 W94 F96L28-F32 HydrophobicContact CD2-CD2 4.08Å; L28-F32 HydrophobicContact CD2-CE2 4.1Å; L28-F32 WeakPolarHBondContact O-CD2 3.2Å; L28-F32 PolarHBondContact O-N 2.77Å; K29-F32 CarbonylContact O-C 3.43Å; F32-D34 VanDerWaalsContact C-N 3.29Å; F32-D34 PolarHBondContact O-N 3.27Å; F32-D35 PolarHBondContact O-N 3.37Å; F32-L36 HydrophobicContact CB-CD1 4.14Å; F32-L36 PolarHBondContact O-N 3.19Å; F32-W94 HydrophobicContact CB-CE3 4.12Å; F32-W94 HydrophobicContact CB-CZ3 4.06Å; F32-W94 AromaticContact CD1-CE3 4Å; F32-W94 HydrophobicContact CD1-CE3 4Å; F32-W94 HydrophobicContact CD1-CZ3 4.37Å; F32-W94 HydrophobicContact CD2-CB 4.35Å; F32-W94 HydrophobicContact CD2-CD2 4.4Å; F32-W94 AromaticContact CD2-CE3 3.85Å; F32-W94 HydrophobicContact CD2-CE3 3.85Å; F32-W94 HydrophobicContact CE1-CE3 4.37Å; F32-W94 HydrophobicContact CE2-CB 3.81Å; F32-W94 HydrophobicContact CE2-CE3 4.25Å; F32-W94 AromaticContact CG-CE3 3.71Å; F32-W94 HydrophobicContact CG-CE3 3.71Å; F32-W94 HydrophobicContact CG-CZ3 4.11Å; F32-W94 HydrophobicContact CZ-CB 4.19Å; F32-W94 HydrophobicContact CZ-CE3 4.48Å; F32-W94 WeakPolarHBondContact CZ-O 3.33Å; F32-F96 HydrophobicContact CE2-CB 4.42Å
33P93.8Very high95.6Very high66 Ų6655.1 Ų55.143%0.42929%0.293SS..THydrogen-bonded Turntrans-67.9-26.5-170.727.2-36000114K29 Q31K29-P33 PolarHBondContact NZ-O 2.95Å; K29-P33 WeakPolarHBondContact O-CA 3.38Å; Q31-P33 VanDerWaalsContact C-CD 3.44Å; Q31-P33 WeakPolarHBondContact O-CD 3.3Å
34D93.8Very high95.6Very high131 Ų13155.8 Ų55.870%0.70130%0.295SS*.THydrogen-bonded Turntrans-85.4-24.4-177.4-66-37.2000112.8Q4 F32Q4-D34 PolarHBondContact NE2-O 3.26Å; F32-D34 VanDerWaalsContact C-N 3.29Å; F32-D34 PolarHBondContact O-N 3.27Å
35D93.1Very high95.6Very high78 Ų7855.6 Ų55.642%0.41729%0.294SS..THydrogen-bonded Turntrans-98.5-20.3-175.3-55.4-73.2000113.4Q4 T5 F32 W94Q4-D35 VanDerWaalsContact CA-O 3.26Å; Q4-D35 WeakPolarHBondContact CA-O 3.26Å; T5-D35 PolarHBondContact N-O 3.42Å; F32-D35 PolarHBondContact O-N 3.37Å; D35-W94 HydrophobicContact CB-CH2 3.47Å; D35-W94 VanDerWaalsContact CB-CH2 3.47Å; D35-W94 HydrophobicContact CB-CZ3 3.56Å
36L93.7Very high95.5Very high1 Ų158.5 Ų58.51%0.00531%0.308CS..BIsolated β-bridgetrans-114.1141.8-178.6-66.1170.3000111.7T5 I7 L28 K29 F32 W89 W94T5-L36 HydrophobicContact CG2-CD2 4.25Å; T5-L36 WeakPolarHBondContact O-CA 3.38Å; I7-L36 HydrophobicContact CD1-CD2 4.25Å; L28-L36 VanDerWaalsContact C-CD1 3.49Å; L28-L36 HydrophobicContact CB-CD1 3.61Å; L28-L36 WeakPolarHBondContact O-CD1 3.2Å; K29-L36 HydrophobicContact CD-CB 4.13Å; K29-L36 WeakPolarHBondContact CD-O 3.4Å; K29-L36 PolarHBondContact NZ-O 2.9Å; F32-L36 HydrophobicContact CB-CD1 4.14Å; F32-L36 PolarHBondContact O-N 3.19Å; L36-W89 HydrophobicContact CD2-CH2 4.36Å; L36-W94 HydrophobicContact CD2-CH2 4.3Å; L36-W94 HydrophobicContact CD2-CZ2 3.87Å; L36-W94 HydrophobicContact CG-CH2 4.32Å; L36-W94 HydrophobicContact CG-CZ2 4.32Å
37L94.9Very high95.4Very high65 Ų6554.6 Ų54.634%0.3429%0.289SS..PPolyproline II helixtrans-78162.3166.2-69.1176.7000110.6Q4 T5 Q6Q4-L37 HydrophobicContact CB-CD2 4.18Å; Q4-L37 HydrophobicContact CB-CG 3.9Å; T5-L37 PolarHBondContact O-N 2.98Å; Q6-L37 HydrophobicContact CB-CB 4.49Å; Q6-L37 HydrophobicContact CB-CD1 4.12Å; Q6-L37 HydrophobicContact CG-CD1 4.46Å
38D96.1Very high95.3Very high119 Ų11955.6 Ų55.664%0.63629%0.292SS*.PPolyproline II helixtrans-56.8129.2170.9-67.2-42.9000109.5K29K29-D38 WeakPolarHBondContact CE-OD1 3.49Å
39P96.8Very high95.2Very high29 Ų2956.1 Ų56.119%0.18829%0.294CS..PPolyproline II helixtrans-67.4138.5-175.827.6-34.5000110.6I7 A25 E26 I41I7-P39 CarbonylContact O-C 3.53Å; I7-P39 WeakPolarHBondContact O-CA 3.34Å; A25-P39 HydrophobicContact CB-CB 3.83Å; A25-P39 HydrophobicContact CB-CG 4.36Å; E26-P39 HydrophobicContact CG-CG 4.32Å; P39-I41 HydrophobicContact CB-CD1 4.06Å; P39-I41 PolarHBondContact O-N 2.7Å
40V97.8Very high95Very high54 Ų5457.7 Ų57.733%0.32730%0.301SS..EExtended strand (participates in β ladder)trans-88.8105.3176-178.40000108.1Q6 I7 E8 I9 V42Q6-V40 HydrophobicContact CG-CG2 4.4Å; I7-V40 PolarHBondContact O-N 3.33Å; E8-V40 CarbonylContact C-O 3.56Å; E8-V40 VanDerWaalsContact CA-O 3.32Å; E8-V40 WeakPolarHBondContact CA-O 3.42Å; E8-V40 HydrophobicContact CB-CB 4.09Å; E8-V40 HydrophobicContact CG-CB 4.09Å; E8-V40 HydrophobicContact CG-CG1 4.15Å; I9-V40 PolarHBondContact N-O 3.26Å; V40-V42 HydrophobicContact CG1-CG2 4.02Å
41I97.3Very high94.7Very high42 Ų4251.3 Ų51.322%0.21527%0.272CS..EExtended strand (participates in β ladder)trans-102.1117.5180-51.2-57.3000109.1I9 F18 R22 P39 P43I9-I41 HydrophobicContact CB-CD1 3.96Å; I9-I41 HydrophobicContact CD1-CD1 3.8Å; I9-I41 HydrophobicContact CG1-CD1 4.2Å; F18-I41 HydrophobicContact CE2-CG2 4.07Å; F18-I41 HydrophobicContact CZ-CG2 3.61Å; R22-I41 HydrophobicContact CB-CD1 4.44Å; R22-I41 HydrophobicContact CG-CD1 3.91Å; R22-I41 HydrophobicContact CG-CG1 4.06Å; R22-I41 HydrophobicContact CG-CG2 4.14Å; P39-I41 HydrophobicContact CB-CD1 4.06Å; P39-I41 PolarHBondContact O-N 2.7Å; I41-P43 WeakPolarHBondContact O-CD 3.16Å
42V96.9Very high94.5Very high46 Ų4647.9 Ų47.928%0.27925%0.254SS..EExtended strand (participates in β ladder)trans-113.687.6-178.6-172.30000109.2I9 V10 G11 V40 L44I9-V42 PolarHBondContact O-N 3.07Å; V10-V42 WeakPolarHBondContact CA-O 3.33Å; V10-V42 HydrophobicContact CB-CB 4.23Å; V10-V42 HydrophobicContact CG1-CB 4Å; V10-V42 HydrophobicContact CG1-CG1 4.01Å; V10-V42 HydrophobicContact CG2-CB 3.95Å; V10-V42 HydrophobicContact CG2-CG2 4.12Å; G11-V42 PolarHBondContact N-O 3.48Å; V40-V42 HydrophobicContact CG1-CG2 4.02Å; V42-L44 HydrophobicContact CG1-CD2 4.24Å; V42-L44 HydrophobicContact CG1-CG 4.37Å
43P96.3Very high94.2Very high34 Ų3447.8 Ų47.822%0.22126%0.255CS..EExtended strand (participates in β ladder)trans-73.6128.7176.829.5-33.4000110.7I13 F18 I41 Y112I13-P43 HydrophobicContact CD1-CB 3.71Å; I13-P43 HydrophobicContact CG1-CB 3.42Å; I13-P43 VanDerWaalsContact CG1-CB 3.42Å; F18-P43 HydrophobicContact CE1-CB 4.29Å; F18-P43 HydrophobicContact CZ-CB 3.9Å; I41-P43 WeakPolarHBondContact O-CD 3.16Å; P43-Y112 HydrophobicContact CB-CE1 4.21Å
44L96.4Very high93.8Very high30 Ų3047.3 Ų47.316%0.15725%0.253CS..EExtended strand (participates in β ladder)trans-123.8144.7177.4-61.7177.3000111.9V10 G11 V12 I13 V42 D48 W49 Y52V10-L44 HydrophobicContact CG1-CD1 3.57Å; V10-L44 HydrophobicContact CG1-CG 4.28Å; G11-L44 PolarHBondContact O-N 3Å; V12-L44 CarbonylContact C-O 3.59Å; V12-L44 VanDerWaalsContact CA-O 3.29Å; V12-L44 WeakPolarHBondContact CA-O 3.46Å; I13-L44 WeakPolarHBondContact CG1-O 3.35Å; I13-L44 PolarHBondContact N-O 3.45Å; V42-L44 HydrophobicContact CG1-CD2 4.24Å; V42-L44 HydrophobicContact CG1-CG 4.37Å; L44-D48 HydrophobicContact CB-CB 4.33Å; L44-D48 HydrophobicContact CD2-CB 4.22Å; L44-W49 HydrophobicContact CB-CB 4.3Å; L44-W49 HydrophobicContact CD1-CE3 4.01Å; L44-Y52 HydrophobicContact CD1-CD1 4.28Å; L44-Y52 HydrophobicContact CD1-CD2 4.28Å; L44-Y52 HydrophobicContact CD1-CG 3.86Å
45L96Very high93.4Very high6 Ų646.7 Ų46.73%0.03124%0.244CC..  trans-74.6160.2166.5-63.1167.6000109.5I13 F47 D48 W49 Y113 L117 I260I13-L45 HydrophobicContact CD1-CD2 4.13Å; I13-L45 HydrophobicContact CD1-CG 4.41Å; L45-F47 PolarHBondContact O-N 2.92Å; L45-F47 VanDerWaalsContact O-N 3.16Å; L45-D48 PolarHBondContact O-N 2.97Å; L45-D48 VanDerWaalsContact O-N 3.07Å; L45-W49 WeakPolarHBondContact O-CB 3.47Å; L45-W49 PolarHBondContact O-N 3.27Å; L45-Y113 HydrophobicContact CD2-CD2 4.38Å; L45-Y113 HydrophobicContact CD2-CE2 3.68Å; L45-L117 HydrophobicContact CD1-CD2 4.43Å; L45-L117 HydrophobicContact CD2-CD2 3.94Å; L45-I260 HydrophobicContact CB-CB 4.43Å; L45-I260 HydrophobicContact CD1-CB 3.87Å; L45-I260 HydrophobicContact CD1-CG2 3.66Å
46E95Very high93.1Very high62 Ų6245.4 Ų45.429%0.2924%0.235SC..Hα-helixtrans-51.2-44.1-176.9-176.2-158.814600111.8W49 H50 I260 E261 G262 V263E46-W49 WeakPolarHBondContact O-CB 3.16Å; E46-W49 PolarHBondContact O-N 2.79Å; E46-H50 PolarHBondContact O-N 3.43Å; E46-I260 PolarHBondContact N-O 3.36Å; E46-E261 HydrophobicContact CB-CG 4.41Å; E46-E261 VanDerWaalsContact OE2-CA 3.28Å; E46-E261 WeakPolarHBondContact OE2-CA 3.41Å; E46-E261 WeakPolarHBondContact OE2-CB 3.18Å; E46-G262 PolarHBondContact OE1-N 3.43Å; E46-G262 PolarHBondContact OE2-N 2.77Å; E46-V263 HydrophobicContact CG-CG2 4.21Å; E46-V263 WeakPolarHBondContact OE1-CB 3.36Å; E46-V263 WeakPolarHBondContact OE1-CG2 3.34Å; E46-V263 PolarHBondContact OE1-N 3.49Å
47F92.8Very high92.4Very high6 Ų648.6 Ų48.63%0.02625%0.248CC..Hα-helixtrans-68.3-42.6-179.5-151.5-87.2000112.8L45 W49 H50 E51 R222 V259 I260 V263 L266L45-F47 PolarHBondContact O-N 2.92Å; L45-F47 VanDerWaalsContact O-N 3.16Å; F47-W49 VanDerWaalsContact C-N 3.31Å; F47-W49 PolarHBondContact O-N 3.05Å; F47-H50 PolarHBondContact O-N 2.9Å; F47-E51 PolarHBondContact O-N 2.84Å; F47-E51 VanDerWaalsContact O-N 3.13Å; F47-R222 HydrophobicContact CE1-CB 4.43Å; F47-R222 HydrophobicContact CE1-CG 4.4Å; F47-R222 VanDerWaalsContact CE1-O 3.32Å; F47-R222 WeakPolarHBondContact CE1-O 3.48Å; F47-R222 HydrophobicContact CZ-CB 4.46Å; F47-R222 HydrophobicContact CZ-CG 3.95Å; F47-V259 HydrophobicContact CD2-CB 3.89Å; F47-V259 HydrophobicContact CD2-CG1 3.49Å; F47-V259 VanDerWaalsContact CD2-CG1 3.49Å; F47-V259 HydrophobicContact CE2-CB 3.97Å; F47-V259 HydrophobicContact CE2-CG1 3.8Å; F47-V259 HydrophobicContact CG-CB 4.37Å; F47-V259 HydrophobicContact CG-CG1 4.27Å; F47-I260 PolarHBondContact N-O 3.03Å; F47-I260 VanDerWaalsContact N-O 3.11Å; F47-V263 HydrophobicContact CB-CG2 4.41Å; F47-V263 HydrophobicContact CD2-CG2 3.53Å; F47-V263 HydrophobicContact CE2-CG2 4.07Å; F47-V263 HydrophobicContact CG-CG2 4.23Å; F47-L266 HydrophobicContact CE2-CD2 3.9Å; F47-L266 HydrophobicContact CZ-CD2 4.03Å
48D94.1Very high91.6Very high34 Ų3455.6 Ų55.618%0.18227%0.27CS..Hα-helixtrans-67.2-33.6177.2-71-40.3000111.2L44 L45 E51 Y52 R258L44-D48 HydrophobicContact CB-CB 4.33Å; L44-D48 HydrophobicContact CD2-CB 4.22Å; L45-D48 PolarHBondContact O-N 2.97Å; L45-D48 VanDerWaalsContact O-N 3.07Å; D48-E51 PolarHBondContact O-N 3.02Å; D48-Y52 VanDerWaalsContact O-CB 3.32Å; D48-Y52 WeakPolarHBondContact O-CB 3.49Å; D48-Y52 PolarHBondContact O-N 3.37Å; D48-R258 IonicContact OD1-NH1 2.82Å; D48-R258 PolarHBondContact OD1-NH1 3.12Å; D48-R258 IonicContact OD2-CZ 3.73Å; D48-R258 IonicContact OD2-NH1 3.95Å; D48-R258 PolarHBondContact OD2-NH1 3.15Å; D48-R258 IonicContact OD2-NH2 3.65Å
49W94.3Very high90.9Very high11 Ų1155.8 Ų55.84%0.04227%0.267CS..Hα-helixtrans-63.4-45.2172.3173.6-112000112.3V10 V12 L44 L45 E46 F47 E51 Y52 L53 S69 N70 I72V10-W49 HydrophobicContact CG1-CZ3 4.14Å; V10-W49 WeakPolarHBondContact O-CZ3 3.47Å; V12-W49 HydrophobicContact CG2-CB 3.42Å; V12-W49 VanDerWaalsContact CG2-CB 3.42Å; V12-W49 HydrophobicContact CG2-CD2 3.78Å; V12-W49 HydrophobicContact CG2-CE3 4.5Å; V12-W49 HydrophobicContact CG2-CG 3.24Å; L44-W49 HydrophobicContact CB-CB 4.3Å; L44-W49 HydrophobicContact CD1-CE3 4.01Å; L45-W49 WeakPolarHBondContact O-CB 3.47Å; L45-W49 PolarHBondContact O-N 3.27Å; E46-W49 WeakPolarHBondContact O-CB 3.16Å; E46-W49 PolarHBondContact O-N 2.79Å; F47-W49 VanDerWaalsContact C-N 3.31Å; F47-W49 PolarHBondContact O-N 3.05Å; W49-E51 VanDerWaalsContact C-N 3.33Å; W49-E51 PolarHBondContact O-N 2.95Å; W49-Y52 AromaticContact CE3-CD1 3.89Å; W49-Y52 HydrophobicContact CE3-CD1 3.89Å; W49-Y52 HydrophobicContact CE3-CE1 4.49Å; W49-Y52 AromaticContact CZ3-CD1 3.8Å; W49-Y52 HydrophobicContact CZ3-CD1 3.8Å; W49-Y52 AromaticContact CZ3-CE1 3.94Å; W49-Y52 HydrophobicContact CZ3-CE1 3.94Å; W49-Y52 WeakPolarHBondContact O-CB 3.32Å; W49-Y52 PolarHBondContact O-N 3.06Å; W49-Y52 VanDerWaalsContact O-N 3.17Å; W49-L53 HydrophobicContact CD2-CD1 4.35Å; W49-L53 HydrophobicContact CD2-CG 4.17Å; W49-L53 HydrophobicContact CH2-CD2 4.11Å; W49-L53 HydrophobicContact CZ2-CD1 3.94Å; W49-L53 HydrophobicContact CZ2-CD2 3.76Å; W49-L53 HydrophobicContact CZ2-CG 3.96Å; W49-L53 VanDerWaalsContact NE1-CD1 3.34Å; W49-L53 PolarHBondContact O-N 2.79Å; W49-S69 WeakPolarHBondContact CZ2-O 3.32Å; W49-N70 VanDerWaalsContact CZ2-C 3.49Å; W49-I72 HydrophobicContact CH2-CB 4.32Å; W49-I72 HydrophobicContact CH2-CD1 3.59Å; W49-I72 HydrophobicContact CH2-CG1 3.72Å; W49-I72 HydrophobicContact CZ2-CD1 4.25Å; W49-I72 HydrophobicContact CZ2-CG1 4.46Å; W49-I72 HydrophobicContact CZ3-CD1 4.31Å
50H90.6Very high89.5Confident76 Ų7658 Ų5835%0.35228%0.277SS..Hα-helixtrans-60.5-42.5176179-88.8000111.6E46 F47 C54 V263E46-H50 PolarHBondContact O-N 3.43Å; F47-H50 PolarHBondContact O-N 2.9Å; H50-C54 WeakPolarHBondContact O-CB 3.49Å; H50-C54 PolarHBondContact O-N 3.46Å; H50-C54 VanDerWaalsContact O-N 3.08Å; H50-C54 PolarHBondContact O-SG 3.05Å; H50-V263 HydrophobicContact CB-CG1 4.43Å; H50-V263 HydrophobicContact CB-CG2 4.07Å
51E88.8Confident87.7Confident33 Ų3366.6 Ų66.615%0.15430%0.304CS..Hα-helixtrans-63.4-41.8173.3-70.4-161.5163.900112.5F47 D48 W49 C54 K55F47-E51 PolarHBondContact O-N 2.84Å; F47-E51 VanDerWaalsContact O-N 3.13Å; D48-E51 PolarHBondContact O-N 3.02Å; W49-E51 VanDerWaalsContact C-N 3.33Å; W49-E51 PolarHBondContact O-N 2.95Å; E51-C54 PolarHBondContact O-N 3.28Å; E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 2.63Å
52Y91.6Very high85.8Confident41 Ų4166.5 Ų66.516%0.16131%0.314CS..Hα-helixtrans-59.9-50.3177.8172.9-97.8000111.6V10 L44 D48 W49 C54 K55 K56 I72V10-Y52 HydrophobicContact CB-CE1 4.24Å; V10-Y52 HydrophobicContact CG1-CD1 4.14Å; V10-Y52 HydrophobicContact CG1-CD2 4.36Å; V10-Y52 HydrophobicContact CG1-CE1 3.74Å; V10-Y52 HydrophobicContact CG1-CE2 4Å; V10-Y52 HydrophobicContact CG1-CG 4.43Å; L44-Y52 HydrophobicContact CD1-CD1 4.28Å; L44-Y52 HydrophobicContact CD1-CD2 4.28Å; L44-Y52 HydrophobicContact CD1-CG 3.86Å; D48-Y52 VanDerWaalsContact O-CB 3.32Å; D48-Y52 WeakPolarHBondContact O-CB 3.49Å; D48-Y52 PolarHBondContact O-N 3.37Å; W49-Y52 AromaticContact CE3-CD1 3.89Å; W49-Y52 HydrophobicContact CE3-CD1 3.89Å; W49-Y52 HydrophobicContact CE3-CE1 4.49Å; W49-Y52 AromaticContact CZ3-CD1 3.8Å; W49-Y52 HydrophobicContact CZ3-CD1 3.8Å; W49-Y52 AromaticContact CZ3-CE1 3.94Å; W49-Y52 HydrophobicContact CZ3-CE1 3.94Å; W49-Y52 WeakPolarHBondContact O-CB 3.32Å; W49-Y52 PolarHBondContact O-N 3.06Å; W49-Y52 VanDerWaalsContact O-N 3.17Å; Y52-C54 VanDerWaalsContact C-N 3.33Å; Y52-C54 PolarHBondContact O-N 2.88Å; Y52-K55 PolarHBondContact O-N 3.17Å; Y52-K55 VanDerWaalsContact O-N 3.14Å; Y52-K56 HydrophobicContact CD1-CG 4.23Å; Y52-K56 HydrophobicContact CD2-CG 4.29Å; Y52-K56 HydrophobicContact CE1-CG 3.73Å; Y52-K56 HydrophobicContact CE2-CD 4.28Å; Y52-K56 HydrophobicContact CE2-CG 3.79Å; Y52-K56 HydrophobicContact CG-CG 4.48Å; Y52-K56 VanDerWaalsContact CZ-CG 3.48Å; Y52-K56 PolarHBondContact O-N 3.24Å; Y52-K56 WeakPolarHBondContact OH-CE 3.44Å; Y52-I72 HydrophobicContact CE1-CD1 4.09Å
53L88.8Confident83.7Confident39 Ų3971.9 Ų71.920%0.20434%0.34CS..Hα-helixtrans-60-42.8176.6-73.6-177.6000111.8W49 K55 K56 K57 I72W49-L53 HydrophobicContact CD2-CD1 4.35Å; W49-L53 HydrophobicContact CD2-CG 4.17Å; W49-L53 HydrophobicContact CH2-CD2 4.11Å; W49-L53 HydrophobicContact CZ2-CD1 3.94Å; W49-L53 HydrophobicContact CZ2-CD2 3.76Å; W49-L53 HydrophobicContact CZ2-CG 3.96Å; W49-L53 VanDerWaalsContact NE1-CD1 3.34Å; W49-L53 PolarHBondContact O-N 2.79Å; L53-K55 VanDerWaalsContact C-N 3.27Å; L53-K55 PolarHBondContact O-N 2.9Å; L53-K56 PolarHBondContact O-N 2.9Å; L53-K57 VanDerWaalsContact O-CB 3.3Å; L53-K57 WeakPolarHBondContact O-CB 3.42Å; L53-K57 PolarHBondContact O-N 3.24Å; L53-I72 HydrophobicContact CD2-CD1 3.66Å
54C84.2Confident81.6Confident56 Ų5671.1 Ų71.138%0.37834%0.335SS..Hα-helixtrans-59.1-38.2176.5-75.30000112.5H50 E51 Y52H50-C54 WeakPolarHBondContact O-CB 3.49Å; H50-C54 PolarHBondContact O-N 3.46Å; H50-C54 VanDerWaalsContact O-N 3.08Å; H50-C54 PolarHBondContact O-SG 3.05Å; E51-C54 PolarHBondContact O-N 3.28Å; Y52-C54 VanDerWaalsContact C-N 3.33Å; Y52-C54 PolarHBondContact O-N 2.88Å
55K86.7Confident79.3Confident118 Ų11878.3 Ų78.351%0.51336%0.361SS..Hα-helixtrans-72.1-48.6175.4-71.2171.6-175.7166.80111.4E51 Y52 L53 K57 R58 E59E51-K55 WeakPolarHBondContact O-CG 3.41Å; E51-K55 PolarHBondContact O-N 2.63Å; Y52-K55 PolarHBondContact O-N 3.17Å; Y52-K55 VanDerWaalsContact O-N 3.14Å; L53-K55 VanDerWaalsContact C-N 3.27Å; L53-K55 PolarHBondContact O-N 2.9Å; K55-K57 VanDerWaalsContact C-N 3.28Å; K55-K57 PolarHBondContact O-N 3.15Å; K55-R58 WeakPolarHBondContact O-CB 3.11Å; K55-R58 PolarHBondContact O-N 3.45Å; K55-E59 PolarHBondContact O-N 3.23Å
56K85.9Confident77.5Confident52 Ų5286 Ų8623%0.22640%0.396CS..Hα-helixtrans-59.4-36.8179-76.3-62.3177.7-165.70113.2Y52 L53 R58 E59 L60Y52-K56 HydrophobicContact CD1-CG 4.23Å; Y52-K56 HydrophobicContact CD2-CG 4.29Å; Y52-K56 HydrophobicContact CE1-CG 3.73Å; Y52-K56 HydrophobicContact CE2-CD 4.28Å; Y52-K56 HydrophobicContact CE2-CG 3.79Å; Y52-K56 HydrophobicContact CG-CG 4.48Å; Y52-K56 VanDerWaalsContact CZ-CG 3.48Å; Y52-K56 PolarHBondContact O-N 3.24Å; Y52-K56 WeakPolarHBondContact OH-CE 3.44Å; L53-K56 PolarHBondContact O-N 2.9Å; K56-R58 VanDerWaalsContact C-N 3.27Å; K56-R58 PolarHBondContact O-N 2.93Å; K56-E59 WeakPolarHBondContact CD-OE2 3.46Å; K56-E59 IonicContact NZ-OE2 3.2Å; K56-E59 PolarHBondContact NZ-OE2 2.87Å; K56-E59 PolarHBondContact O-N 3.08Å; K56-E59 VanDerWaalsContact O-N 3.14Å; K56-L60 WeakPolarHBondContact O-CB 3.5Å; K56-L60 WeakPolarHBondContact O-CG 3.2Å; K56-L60 PolarHBondContact O-N 2.96Å
57K79.3Confident76.2Confident67 Ų6785.2 Ų85.229%0.29139%0.391SS..Hα-helixtrans-58.4-37173.5-176173.8-177.3168.50113.1L53 K55 R61 W65L53-K57 VanDerWaalsContact O-CB 3.3Å; L53-K57 WeakPolarHBondContact O-CB 3.42Å; L53-K57 PolarHBondContact O-N 3.24Å; K55-K57 VanDerWaalsContact C-N 3.28Å; K55-K57 PolarHBondContact O-N 3.15Å; K57-R61 PolarHBondContact O-N 2.91Å; K57-W65 VanDerWaalsContact NZ-CD1 3.3Å; K57-W65 VanDerWaalsContact NZ-CD2 3.27Å
58R78.1Confident75.3Confident212 Ų21290.6 Ų90.680%0.843%0.427SS*.Hα-helixtrans-71.2-36.5176.7-65.2174.7-176.31781.4111.6K55 K56K55-R58 WeakPolarHBondContact O-CB 3.11Å; K55-R58 PolarHBondContact O-N 3.45Å; K56-R58 VanDerWaalsContact C-N 3.27Å; K56-R58 PolarHBondContact O-N 2.93Å
59E80.6Confident74.9Confident123 Ų12389.5 Ų89.558%0.57542%0.422SS*.Hα-helixtrans-69-41.8177.5-68173.2-168.100112K55 K56K55-E59 PolarHBondContact O-N 3.23Å; K56-E59 WeakPolarHBondContact CD-OE2 3.46Å; K56-E59 IonicContact NZ-OE2 3.2Å; K56-E59 PolarHBondContact NZ-OE2 2.87Å; K56-E59 PolarHBondContact O-N 3.08Å; K56-E59 VanDerWaalsContact O-N 3.14Å
60L68.4Low74.9Confident75 Ų7592.3 Ų92.339%0.39344%0.437SS..THydrogen-bonded Turntrans-94.810.2-169.8-63.1172.3000115K56 G62 V64K56-L60 WeakPolarHBondContact O-CB 3.5Å; K56-L60 WeakPolarHBondContact O-CG 3.2Å; K56-L60 PolarHBondContact O-N 2.96Å; L60-G62 PolarHBondContact O-N 3.22Å; L60-G62 VanDerWaalsContact O-N 3.13Å; L60-V64 HydrophobicContact CB-CG2 4.13Å; L60-V64 HydrophobicContact CD1-CG2 3.78Å
61R60.4Low75.1Confident235 Ų23588.7 Ų88.789%0.88742%0.42SS*.THydrogen-bonded Turntrans44.545.1172.4-66.1-170.1178.4-171.31.1116.6K57K57-R61 PolarHBondContact O-N 2.91Å
62G55.7Low75.3Confident41 Ų4187.4 Ų87.442%0.42342%0.415SS..THydrogen-bonded Turntrans112.4-11160.200000117.9L60 V64L60-G62 PolarHBondContact O-N 3.22Å; L60-G62 VanDerWaalsContact O-N 3.13Å; G62-V64 PolarHBondContact O-N 3.35Å
63D53.8Low75.5Confident158 Ų15885.5 Ų85.585%0.84541%0.407SS*.THydrogen-bonded Turntrans-76.3-6-178.4-72-22.7000114.6
64V51.9Low75.8Confident18 Ų1884.4 Ų84.411%0.10940%0.401CS..THydrogen-bonded Turntrans-115.232.8-172.3-162.50000111L60 G62 E66 Y67L60-V64 HydrophobicContact CB-CG2 4.13Å; L60-V64 HydrophobicContact CD1-CG2 3.78Å; G62-V64 PolarHBondContact O-N 3.35Å; V64-E66 PolarHBondContact O-N 3.4Å; V64-Y67 HydrophobicContact CG1-CD2 4.44Å; V64-Y67 HydrophobicContact CG1-CG 4.37Å
65W49.5Very low76.3Confident182 Ų18282.9 Ų82.969%0.68939%0.389SS*.THydrogen-bonded Turntrans-68.2-26.6-174.6-135.7102.2000112.4K57K57-W65 VanDerWaalsContact NZ-CD1 3.3Å; K57-W65 VanDerWaalsContact NZ-CD2 3.27Å
66E57Low76.7Confident167 Ų16781.4 Ų81.478%0.7839%0.387SS*.THydrogen-bonded Turntrans-144.576.5172.4-67.2179.9174.900108.2V64 P68V64-E66 PolarHBondContact O-N 3.4Å; E66-P68 WeakPolarHBondContact O-CD 3.33Å
67Y68.9Low76.9Confident45 Ų4581.4 Ų81.418%0.17640%0.402CS..  trans-72.3109168.7-165.3-90.9000107.4V64 S69 V71 I72 G81 N82V64-Y67 HydrophobicContact CG1-CD2 4.44Å; V64-Y67 HydrophobicContact CG1-CG 4.37Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 WeakPolarHBondContact CD1-O 3.31Å; Y67-S69 WeakPolarHBondContact CE1-O 3.39Å; Y67-S69 PolarHBondContact O-N 3.27Å; Y67-V71 WeakPolarHBondContact CE1-O 3.36Å; Y67-V71 PolarHBondContact OH-O 3.27Å; Y67-I72 HydrophobicContact CD1-CD1 4.15Å; Y67-I72 HydrophobicContact CD1-CG1 3.72Å; Y67-I72 HydrophobicContact CD2-CG1 4.32Å; Y67-I72 HydrophobicContact CE1-CB 4.44Å; Y67-I72 HydrophobicContact CE1-CD1 4.24Å; Y67-I72 HydrophobicContact CE1-CG1 3.31Å; Y67-I72 HydrophobicContact CE2-CG1 3.93Å; Y67-I72 HydrophobicContact CG-CD1 4.37Å; Y67-I72 HydrophobicContact CG-CG1 4.21Å; Y67-I72 VanDerWaalsContact CZ-CG1 3.41Å; Y67-G81 PolarHBondContact OH-O 2.8Å; Y67-N82 VanDerWaalsContact OH-CA 3.27Å; Y67-N82 WeakPolarHBondContact OH-CA 3.48Å; Y67-N82 WeakPolarHBondContact OH-CB 3.26Å; Y67-N82 PolarHBondContact OH-N 2.77Å; Y67-N82 VanDerWaalsContact OH-N 3.07Å
68P73.4Confident77.5Confident120 Ų12083 Ų8378%0.77942%0.417SS*.  trans-82.7-8-162.734.2-35.5000113E66E66-P68 WeakPolarHBondContact O-CD 3.33Å
69S85.7Confident78.1Confident11 Ų1176.7 Ų76.78%0.07740%0.399CS..SBendtrans-105.4150.6-178.7175.60000110.2W49 Y67 V71 E83W49-S69 WeakPolarHBondContact CZ2-O 3.32Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 WeakPolarHBondContact CD1-O 3.31Å; Y67-S69 WeakPolarHBondContact CE1-O 3.39Å; Y67-S69 PolarHBondContact O-N 3.27Å; S69-V71 PolarHBondContact O-N 3.29Å; S69-V71 VanDerWaalsContact OG-CG1 3.31Å; S69-V71 WeakPolarHBondContact OG-CG1 3.27Å; S69-V71 PolarHBondContact OG-N 2.9Å; S69-E83 PolarHBondContact OG-OE2 3.17Å
70N92.9Very high78.7Confident69 Ų6973.1 Ų73.137%0.36938%0.383SS..SBendtrans-89.920.4173.1-48.7-63.5000113G11 V12 D15 W49G11-N70 CarbonylContact C-O 3.44Å; G11-N70 WeakPolarHBondContact CA-O 3.49Å; V12-N70 HydrophobicContact CB-CB 3.77Å; V12-N70 HydrophobicContact CG2-CB 3.64Å; V12-N70 PolarHBondContact N-O 2.95Å; D15-N70 HydrophobicContact CB-CB 4.05Å; D15-N70 WeakPolarHBondContact OD2-CB 3.11Å; D15-N70 PolarHBondContact OD2-ND2 2.8Å; W49-N70 VanDerWaalsContact CZ2-C 3.49Å
71V94.8Very high79.9Confident0 Ų070 Ų700%037%0.369CS..EExtended strand (participates in β ladder)trans-138.7130.8173.456.90000111I9 V10 N17 F18 A21 Y67 S69 E83I9-V71 HydrophobicContact CG2-CG2 3.64Å; V10-V71 CarbonylContact O-C 3.53Å; V10-V71 WeakPolarHBondContact O-CA 3.34Å; N17-V71 HydrophobicContact CB-CG1 3.95Å; F18-V71 HydrophobicContact CB-CB 4.32Å; F18-V71 HydrophobicContact CD2-CG2 4.3Å; A21-V71 HydrophobicContact CB-CG2 3.94Å; Y67-V71 WeakPolarHBondContact CE1-O 3.36Å; Y67-V71 PolarHBondContact OH-O 3.27Å; S69-V71 PolarHBondContact O-N 3.29Å; S69-V71 VanDerWaalsContact OG-CG1 3.31Å; S69-V71 WeakPolarHBondContact OG-CG1 3.27Å; S69-V71 PolarHBondContact OG-N 2.9Å; V71-E83 HydrophobicContact CG1-CB 4.14Å; V71-E83 WeakPolarHBondContact CG1-OE2 3.46Å
72I94.6Very high81.5Confident7 Ų759.9 Ų59.94%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-116.5129.5172.5-64.4158.8000108.9V10 W49 Y52 L53 Y67 F74 L79V10-I72 PolarHBondContact N-O 2.78Å; V10-I72 PolarHBondContact O-N 2.79Å; W49-I72 HydrophobicContact CH2-CB 4.32Å; W49-I72 HydrophobicContact CH2-CD1 3.59Å; W49-I72 HydrophobicContact CH2-CG1 3.72Å; W49-I72 HydrophobicContact CZ2-CD1 4.25Å; W49-I72 HydrophobicContact CZ2-CG1 4.46Å; W49-I72 HydrophobicContact CZ3-CD1 4.31Å; Y52-I72 HydrophobicContact CE1-CD1 4.09Å; L53-I72 HydrophobicContact CD2-CD1 3.66Å; Y67-I72 HydrophobicContact CD1-CD1 4.15Å; Y67-I72 HydrophobicContact CD1-CG1 3.72Å; Y67-I72 HydrophobicContact CD2-CG1 4.32Å; Y67-I72 HydrophobicContact CE1-CB 4.44Å; Y67-I72 HydrophobicContact CE1-CD1 4.24Å; Y67-I72 HydrophobicContact CE1-CG1 3.31Å; Y67-I72 HydrophobicContact CE2-CG1 3.93Å; Y67-I72 HydrophobicContact CG-CD1 4.37Å; Y67-I72 HydrophobicContact CG-CG1 4.21Å; Y67-I72 VanDerWaalsContact CZ-CG1 3.41Å; I72-F74 HydrophobicContact CB-CE2 4.12Å; I72-F74 HydrophobicContact CB-CZ 4.48Å; I72-F74 HydrophobicContact CG2-CD2 4.03Å; I72-F74 HydrophobicContact CG2-CE1 4.19Å; I72-F74 HydrophobicContact CG2-CE2 3.33Å; I72-F74 HydrophobicContact CG2-CZ 3.42Å; I72-F74 VanDerWaalsContact CG2-CZ 3.42Å; I72-L79 HydrophobicContact CG2-CD1 3.32Å
73C95.6Very high83.3Confident0 Ų058.7 Ų58.70%032%0.316CS..EExtended strand (participates in β ladder)trans-107.8140.6176.2-56.40000110.3E8 L80 G81 L86E8-C73 CarbonylContact O-C 3.52Å; E8-C73 WeakPolarHBondContact O-CA 3.47Å; C73-L80 HydrophobicContact CB-CB 4.41Å; C73-L80 HydrophobicContact CB-CD2 4.4Å; C73-L80 WeakPolarHBondContact O-CB 3.42Å; C73-L80 PolarHBondContact O-N 2.98Å; C73-G81 PolarHBondContact N-O 3.03Å; C73-G81 PolarHBondContact O-N 3.2Å; C73-L86 HydrophobicContact CB-CB 4.24Å; C73-L86 HydrophobicContact CB-CD2 4.5Å
74F95.1Very high85.3Confident16 Ų1657.9 Ų57.97%0.0731%0.305CS..EExtended strand (participates in β ladder)trans-126.8149.1174.9-56.3-97.9000110.7E8 V10 I72 V78 L79E8-F74 HydrophobicContact CB-CB 4.21Å; E8-F74 HydrophobicContact CG-CD2 4.32Å; E8-F74 PolarHBondContact N-O 3.48Å; E8-F74 PolarHBondContact O-N 3.3Å; V10-F74 HydrophobicContact CG2-CE2 4.18Å; I72-F74 HydrophobicContact CB-CE2 4.12Å; I72-F74 HydrophobicContact CB-CZ 4.48Å; I72-F74 HydrophobicContact CG2-CD2 4.03Å; I72-F74 HydrophobicContact CG2-CE1 4.19Å; I72-F74 HydrophobicContact CG2-CE2 3.33Å; I72-F74 HydrophobicContact CG2-CZ 3.42Å; I72-F74 VanDerWaalsContact CG2-CZ 3.42Å; F74-V78 CarbonylContact C-O 3.57Å; F74-V78 WeakPolarHBondContact CA-O 3.32Å; F74-V78 WeakPolarHBondContact CB-O 3.13Å; F74-L79 HydrophobicContact CD1-CB 4.2Å; F74-L79 HydrophobicContact CD1-CD1 4.45Å; F74-L79 HydrophobicContact CE1-CB 4.1Å; F74-L79 HydrophobicContact CE1-CD1 4.04Å; F74-L79 HydrophobicContact CZ-CD1 4.37Å
75L95.2Very high87.3Confident25 Ų2561.3 Ų61.313%0.13132%0.32CS..EExtended strand (participates in β ladder)trans-119.5119.1170.6-63.3176.7000108.9T5 Q6 I7 G77 V78 L80 W89T5-L75 HydrophobicContact CG2-CD2 4.2Å; Q6-L75 WeakPolarHBondContact O-CA 3.22Å; I7-L75 HydrophobicContact CG1-CD2 3.91Å; L75-G77 PolarHBondContact O-N 3.28Å; L75-G77 VanDerWaalsContact O-N 3.13Å; L75-V78 PolarHBondContact N-O 3.04Å; L75-V78 WeakPolarHBondContact O-CB 3.45Å; L75-V78 PolarHBondContact O-N 2.93Å; L75-L80 HydrophobicContact CD1-CB 4.49Å; L75-L80 HydrophobicContact CD1-CD1 3.83Å; L75-L80 HydrophobicContact CD1-CD2 3.91Å; L75-L80 HydrophobicContact CD1-CG 4.29Å; L75-L80 HydrophobicContact CD2-CD2 4.36Å; L75-L80 HydrophobicContact CG-CB 4.24Å; L75-L80 HydrophobicContact CG-CD1 4.47Å; L75-L80 HydrophobicContact CG-CD2 3.95Å; L75-L80 HydrophobicContact CG-CG 4.45Å; L75-W89 HydrophobicContact CD1-CD2 3.75Å; L75-W89 VanDerWaalsContact CD1-CE2 3.44Å; L75-W89 HydrophobicContact CD1-CE3 4.49Å; L75-W89 HydrophobicContact CD1-CG 3.88Å; L75-W89 HydrophobicContact CD1-CZ2 3.96Å; L75-W89 HydrophobicContact CD2-CD2 4.19Å; L75-W89 HydrophobicContact CD2-CE3 4.16Å; L75-W89 HydrophobicContact CD2-CH2 3.74Å; L75-W89 HydrophobicContact CD2-CZ2 3.79Å; L75-W89 HydrophobicContact CD2-CZ3 3.92Å
76N94.1Very high89.6Confident86 Ų8652.7 Ų52.746%0.4629%0.287SS..THydrogen-bonded Turntrans50.537.2-177.8-57.9-38.9000112.7T5 Q6 V78T5-N76 WeakPolarHBondContact CA-OD1 3.4Å; Q6-N76 PolarHBondContact N-OD1 2.81Å; Q6-N76 PolarHBondContact O-N 3.49Å; N76-V78 VanDerWaalsContact C-N 3.3Å; N76-V78 PolarHBondContact O-N 3.1Å
77G90.8Very high91.4Very high53 Ų5346.5 Ų46.555%0.54627%0.265SS..THydrogen-bonded Turntrans79.1-0.1-177.200000115.9L75L75-G77 PolarHBondContact O-N 3.28Å; L75-G77 VanDerWaalsContact O-N 3.13Å
78V91.2Very high92.7Very high101 Ų10147.3 Ų47.361%0.61228%0.277SS*.EExtended strand (participates in β ladder)trans-95.3133.3175.9-176.60000110F74 L75 N76 L80F74-V78 CarbonylContact C-O 3.57Å; F74-V78 WeakPolarHBondContact CA-O 3.32Å; F74-V78 WeakPolarHBondContact CB-O 3.13Å; L75-V78 PolarHBondContact N-O 3.04Å; L75-V78 WeakPolarHBondContact O-CB 3.45Å; L75-V78 PolarHBondContact O-N 2.93Å; N76-V78 VanDerWaalsContact C-N 3.3Å; N76-V78 PolarHBondContact O-N 3.1Å; V78-L80 PolarHBondContact O-N 2.78Å
79L91.4Very high93.8Very high79 Ų7943.5 Ų43.541%0.41425%0.247SC..EExtended strand (participates in β ladder)trans-59.5120.5178.8176.263.2000110.7I72 F74I72-L79 HydrophobicContact CG2-CD1 3.32Å; F74-L79 HydrophobicContact CD1-CB 4.2Å; F74-L79 HydrophobicContact CD1-CD1 4.45Å; F74-L79 HydrophobicContact CE1-CB 4.1Å; F74-L79 HydrophobicContact CE1-CD1 4.04Å; F74-L79 HydrophobicContact CZ-CD1 4.37Å
80L93.3Very high94.3Very high47 Ų4743 Ų4325%0.24624%0.244CC..EExtended strand (participates in β ladder)trans-92.1-44.7174.3178.963.5000111.7C73 L75 V78 Q85 L86 W89C73-L80 HydrophobicContact CB-CB 4.41Å; C73-L80 HydrophobicContact CB-CD2 4.4Å; C73-L80 WeakPolarHBondContact O-CB 3.42Å; C73-L80 PolarHBondContact O-N 2.98Å; L75-L80 HydrophobicContact CD1-CB 4.49Å; L75-L80 HydrophobicContact CD1-CD1 3.83Å; L75-L80 HydrophobicContact CD1-CD2 3.91Å; L75-L80 HydrophobicContact CD1-CG 4.29Å; L75-L80 HydrophobicContact CD2-CD2 4.36Å; L75-L80 HydrophobicContact CG-CB 4.24Å; L75-L80 HydrophobicContact CG-CD1 4.47Å; L75-L80 HydrophobicContact CG-CD2 3.95Å; L75-L80 HydrophobicContact CG-CG 4.45Å; V78-L80 PolarHBondContact O-N 2.78Å; L80-Q85 HydrophobicContact CG-CB 4.27Å; L80-L86 HydrophobicContact CD2-CB 4.05Å; L80-L86 HydrophobicContact CD2-CD1 3.67Å; L80-L86 HydrophobicContact CD2-CG 4.48Å; L80-W89 HydrophobicContact CD1-CB 4.25Å; L80-W89 HydrophobicContact CD1-CG 4.49Å; L80-W89 HydrophobicContact CD2-CB 4.12Å; L80-W89 HydrophobicContact CD2-CG 4.38Å
81G92.5Very high94.5Very high9 Ų944.6 Ų44.69%0.09325%0.249CC..EExtended strand (participates in β ladder)trans137.1-147.2-170.100000111.1Y67 C73Y67-G81 PolarHBondContact OH-O 2.8Å; C73-G81 PolarHBondContact N-O 3.03Å; C73-G81 PolarHBondContact O-N 3.2Å
82N94Very high94.5Very high24 Ų2450.4 Ų50.413%0.12828%0.28CS..SBendtrans-100.8-166.7-178.272.823000111.3Y67 K84 Q85 L86Y67-N82 VanDerWaalsContact OH-CA 3.27Å; Y67-N82 WeakPolarHBondContact OH-CA 3.48Å; Y67-N82 WeakPolarHBondContact OH-CB 3.26Å; Y67-N82 PolarHBondContact OH-N 2.77Å; Y67-N82 VanDerWaalsContact OH-N 3.07Å; N82-K84 VanDerWaalsContact C-N 3.26Å; N82-K84 PolarHBondContact O-N 3.36Å; N82-K84 WeakPolarHBondContact OD1-CA 3.44Å; N82-K84 VanDerWaalsContact OD1-CB 3.32Å; N82-K84 WeakPolarHBondContact OD1-CB 3.39Å; N82-K84 PolarHBondContact OD1-N 3.46Å; N82-Q85 PolarHBondContact O-N 2.95Å; N82-Q85 PolarHBondContact OD1-N 2.72Å; N82-Q85 PolarHBondContact OD1-OE1 3.43Å; N82-L86 PolarHBondContact O-N 3.42Å
83E94.5Very high94.5Very high15 Ų1556.4 Ų56.47%0.0731%0.308CS..Hα-helixtrans-57.7-34.7179.877.6-63.5158.500113.6N17 A21 S69 V71 L86 A87N17-E83 HydrophobicContact CB-CB 4.43Å; N17-E83 HydrophobicContact CB-CG 3.89Å; A21-E83 HydrophobicContact CB-CB 3.99Å; S69-E83 PolarHBondContact OG-OE2 3.17Å; V71-E83 HydrophobicContact CG1-CB 4.14Å; V71-E83 WeakPolarHBondContact CG1-OE2 3.46Å; E83-L86 PolarHBondContact O-N 3.31Å; E83-A87 WeakPolarHBondContact O-CB 3.43Å; E83-A87 PolarHBondContact O-N 3.25Å
84K94.4Very high94.4Very high142 Ų14258.9 Ų58.962%0.61732%0.317SS*.Hα-helixtrans-72.8-43.1178.5-67.6167.9-170.8179.40111.5N82 L86 A87 S88N82-K84 VanDerWaalsContact C-N 3.26Å; N82-K84 PolarHBondContact O-N 3.36Å; N82-K84 WeakPolarHBondContact OD1-CA 3.44Å; N82-K84 VanDerWaalsContact OD1-CB 3.32Å; N82-K84 WeakPolarHBondContact OD1-CB 3.39Å; N82-K84 PolarHBondContact OD1-N 3.46Å; K84-L86 VanDerWaalsContact C-N 3.27Å; K84-L86 PolarHBondContact O-N 3.48Å; K84-A87 PolarHBondContact O-N 3.42Å; K84-S88 PolarHBondContact O-N 3.16Å; K84-S88 PolarHBondContact O-OG 3.06Å
85Q95.5Very high94.3Very high90 Ų9064.9 Ų64.942%0.42135%0.35SS..Hα-helixtrans-64.5-35.7174.4-74.391.5900111.4L80 N82 W89L80-Q85 HydrophobicContact CG-CB 4.27Å; N82-Q85 PolarHBondContact O-N 2.95Å; N82-Q85 PolarHBondContact OD1-N 2.72Å; N82-Q85 PolarHBondContact OD1-OE1 3.43Å; Q85-W89 WeakPolarHBondContact O-CB 3.42Å; Q85-W89 PolarHBondContact O-N 3.13Å
86L96.3Very high94.3Very high0 Ų064.4 Ų64.40%035%0.347CS..Hα-helixtrans-63.1-46.5172.3-175.467.4000111.9I7 I9 A21 I24 C73 L80 N82 E83 K84 W89 A90I7-L86 HydrophobicContact CG2-CD1 4.06Å; I9-L86 HydrophobicContact CD1-CD2 3.94Å; I9-L86 HydrophobicContact CG1-CD2 4.4Å; A21-L86 HydrophobicContact CB-CD2 4Å; I24-L86 HydrophobicContact CB-CD2 4.29Å; I24-L86 HydrophobicContact CG2-CD2 4.17Å; I24-L86 HydrophobicContact CG2-CG 4.06Å; C73-L86 HydrophobicContact CB-CB 4.24Å; C73-L86 HydrophobicContact CB-CD2 4.5Å; L80-L86 HydrophobicContact CD2-CB 4.05Å; L80-L86 HydrophobicContact CD2-CD1 3.67Å; L80-L86 HydrophobicContact CD2-CG 4.48Å; N82-L86 PolarHBondContact O-N 3.42Å; E83-L86 PolarHBondContact O-N 3.31Å; K84-L86 VanDerWaalsContact C-N 3.27Å; K84-L86 PolarHBondContact O-N 3.48Å; L86-W89 HydrophobicContact CD1-CE3 3.85Å; L86-W89 HydrophobicContact CD1-CZ3 4.16Å; L86-W89 PolarHBondContact O-N 2.83Å; L86-A90 WeakPolarHBondContact O-CB 3.27Å; L86-A90 PolarHBondContact O-N 3.13Å
87A95.6Very high94.1Very high38 Ų3864.9 Ų64.931%0.31435%0.353SS..Hα-helixtrans-59.7-47.4176.700000112I24 E83 K84 W89 A90 E91I24-A87 HydrophobicContact CD1-CB 3.79Å; E83-A87 WeakPolarHBondContact O-CB 3.43Å; E83-A87 PolarHBondContact O-N 3.25Å; K84-A87 PolarHBondContact O-N 3.42Å; A87-W89 VanDerWaalsContact C-N 3.33Å; A87-W89 PolarHBondContact O-N 2.83Å; A87-A90 WeakPolarHBondContact O-CB 3.29Å; A87-A90 PolarHBondContact O-N 2.87Å; A87-E91 PolarHBondContact O-N 3.07Å
88S96.3Very high94Very high61 Ų6165 Ų6543%0.42734%0.341SS..Hα-helixtrans-63.7-37.2176.9-630000112.5K84 N92K84-S88 PolarHBondContact O-N 3.16Å; K84-S88 PolarHBondContact O-OG 3.06Å; S88-N92 WeakPolarHBondContact O-CB 3.35Å; S88-N92 VanDerWaalsContact O-CG 3.26Å; S88-N92 PolarHBondContact O-N 2.87Å; S88-N92 PolarHBondContact O-ND2 2.87Å
89W96.3Very high93.4Very high41 Ų4164.6 Ų64.616%0.15535%0.348CS..Hα-helixtrans-65.5-44174.3169.482.2000111.6T5 I7 L28 L36 L75 L80 Q85 L86 A87 E91 N92 Q93 W94T5-W89 HydrophobicContact CG2-CH2 4.2Å; T5-W89 HydrophobicContact CG2-CZ2 4.02Å; I7-W89 HydrophobicContact CD1-CH2 3.9Å; I7-W89 HydrophobicContact CD1-CZ3 3.7Å; I7-W89 HydrophobicContact CG1-CH2 4.08Å; I7-W89 HydrophobicContact CG1-CZ3 4.14Å; L28-W89 HydrophobicContact CD1-CE3 4.28Å; L28-W89 HydrophobicContact CD1-CH2 4.35Å; L28-W89 HydrophobicContact CD1-CZ3 3.54Å; L36-W89 HydrophobicContact CD2-CH2 4.36Å; L75-W89 HydrophobicContact CD1-CD2 3.75Å; L75-W89 VanDerWaalsContact CD1-CE2 3.44Å; L75-W89 HydrophobicContact CD1-CE3 4.49Å; L75-W89 HydrophobicContact CD1-CG 3.88Å; L75-W89 HydrophobicContact CD1-CZ2 3.96Å; L75-W89 HydrophobicContact CD2-CD2 4.19Å; L75-W89 HydrophobicContact CD2-CE3 4.16Å; L75-W89 HydrophobicContact CD2-CH2 3.74Å; L75-W89 HydrophobicContact CD2-CZ2 3.79Å; L75-W89 HydrophobicContact CD2-CZ3 3.92Å; L80-W89 HydrophobicContact CD1-CB 4.25Å; L80-W89 HydrophobicContact CD1-CG 4.49Å; L80-W89 HydrophobicContact CD2-CB 4.12Å; L80-W89 HydrophobicContact CD2-CG 4.38Å; Q85-W89 WeakPolarHBondContact O-CB 3.42Å; Q85-W89 PolarHBondContact O-N 3.13Å; L86-W89 HydrophobicContact CD1-CE3 3.85Å; L86-W89 HydrophobicContact CD1-CZ3 4.16Å; L86-W89 PolarHBondContact O-N 2.83Å; A87-W89 VanDerWaalsContact C-N 3.33Å; A87-W89 PolarHBondContact O-N 2.83Å; W89-E91 PolarHBondContact O-N 3.34Å; W89-N92 PolarHBondContact O-N 2.92Å; W89-Q93 HydrophobicContact CG-CG 4.41Å; W89-Q93 WeakPolarHBondContact O-CB 3.28Å; W89-Q93 WeakPolarHBondContact O-CG 3.32Å; W89-Q93 PolarHBondContact O-N 3.44Å; W89-W94 AromaticContact CE2-NE1 3.87Å; W89-W94 AromaticContact CH2-CD1 3.95Å; W89-W94 AromaticContact CH2-NE1 3.26Å; W89-W94 VanDerWaalsContact CH2-NE1 3.26Å; W89-W94 AromaticContact CZ2-NE1 3.19Å; W89-W94 AromaticContact CZ3-NE1 3.96Å
90A96Very high93.2Very high1 Ų164.3 Ų64.31%0.00834%0.344CS..Hα-helixtrans-60.3-44.9178.300000112I24 L28 L86 A87 W94 N95 F96I24-A90 HydrophobicContact CG2-CB 3.93Å; L28-A90 HydrophobicContact CD1-CB 3.78Å; L28-A90 HydrophobicContact CD2-CB 4.25Å; L28-A90 HydrophobicContact CG-CB 4.29Å; L86-A90 WeakPolarHBondContact O-CB 3.27Å; L86-A90 PolarHBondContact O-N 3.13Å; A87-A90 WeakPolarHBondContact O-CB 3.29Å; A87-A90 PolarHBondContact O-N 2.87Å; A90-W94 CarbonylContact O-C 3.59Å; A90-W94 WeakPolarHBondContact O-CA 3.45Å; A90-W94 WeakPolarHBondContact O-CB 3.29Å; A90-W94 PolarHBondContact O-N 3.36Å; A90-N95 PolarHBondContact O-N 3.44Å; A90-F96 CarbonylContact C-O 3.32Å; A90-F96 HydrophobicContact CB-CB 4.4Å; A90-F96 HydrophobicContact CB-CD1 4.05Å; A90-F96 PolarHBondContact O-N 3.36Å
91E96.3Very high92.9Very high101 Ų10166.4 Ų66.447%0.47236%0.361SS..Hα-helixtrans-64.1-50.2177.3-177.2174.9-153.500111.2A87 W89 Q93 N95 F96A87-E91 PolarHBondContact O-N 3.07Å; W89-E91 PolarHBondContact O-N 3.34Å; E91-Q93 PolarHBondContact O-N 3.05Å; E91-N95 WeakPolarHBondContact O-CA 3.35Å; E91-N95 PolarHBondContact O-N 3.18Å; E91-F96 VanDerWaalsContact CA-O 3.31Å; E91-F96 WeakPolarHBondContact CA-O 3.06Å; E91-F96 PolarHBondContact N-O 3.45Å
92N95.6Very high92.4Very high122 Ų12273.4 Ų73.465%0.65239%0.391SS*.Hα-helixtrans-71.2-34.5-174-72.8-49.8000113.9S88 W89S88-N92 WeakPolarHBondContact O-CB 3.35Å; S88-N92 VanDerWaalsContact O-CG 3.26Å; S88-N92 PolarHBondContact O-N 2.87Å; S88-N92 PolarHBondContact O-ND2 2.87Å; W89-N92 PolarHBondContact O-N 2.92Å
93Q94.1Very high92.2Very high134 Ų13478.4 Ų78.463%0.62642%0.418SS*.Hα-helixtrans-95.1-32.4-175.5-63.4-57.9-56.100113.2W89 E91W89-Q93 HydrophobicContact CG-CG 4.41Å; W89-Q93 WeakPolarHBondContact O-CB 3.28Å; W89-Q93 WeakPolarHBondContact O-CG 3.32Å; W89-Q93 PolarHBondContact O-N 3.44Å; E91-Q93 PolarHBondContact O-N 3.05Å
94W93.4Very high92Very high52 Ų5281.6 Ų81.620%0.19743%0.432CS..Hα-helixtrans-120.3-0.9-171.3-55.291.1000113.1L28 F32 D35 L36 W89 A90 F96L28-W94 HydrophobicContact CD2-CB 3.77Å; L28-W94 HydrophobicContact CD2-CG 3.86Å; F32-W94 HydrophobicContact CB-CE3 4.12Å; F32-W94 HydrophobicContact CB-CZ3 4.06Å; F32-W94 AromaticContact CD1-CE3 4Å; F32-W94 HydrophobicContact CD1-CE3 4Å; F32-W94 HydrophobicContact CD1-CZ3 4.37Å; F32-W94 HydrophobicContact CD2-CB 4.35Å; F32-W94 HydrophobicContact CD2-CD2 4.4Å; F32-W94 AromaticContact CD2-CE3 3.85Å; F32-W94 HydrophobicContact CD2-CE3 3.85Å; F32-W94 HydrophobicContact CE1-CE3 4.37Å; F32-W94 HydrophobicContact CE2-CB 3.81Å; F32-W94 HydrophobicContact CE2-CE3 4.25Å; F32-W94 AromaticContact CG-CE3 3.71Å; F32-W94 HydrophobicContact CG-CE3 3.71Å; F32-W94 HydrophobicContact CG-CZ3 4.11Å; F32-W94 HydrophobicContact CZ-CB 4.19Å; F32-W94 HydrophobicContact CZ-CE3 4.48Å; F32-W94 WeakPolarHBondContact CZ-O 3.33Å; D35-W94 HydrophobicContact CB-CH2 3.47Å; D35-W94 VanDerWaalsContact CB-CH2 3.47Å; D35-W94 HydrophobicContact CB-CZ3 3.56Å; L36-W94 HydrophobicContact CD2-CH2 4.3Å; L36-W94 HydrophobicContact CD2-CZ2 3.87Å; L36-W94 HydrophobicContact CG-CH2 4.32Å; L36-W94 HydrophobicContact CG-CZ2 4.32Å; W89-W94 AromaticContact CE2-NE1 3.87Å; W89-W94 AromaticContact CH2-CD1 3.95Å; W89-W94 AromaticContact CH2-NE1 3.26Å; W89-W94 VanDerWaalsContact CH2-NE1 3.26Å; W89-W94 AromaticContact CZ2-NE1 3.19Å; W89-W94 AromaticContact CZ3-NE1 3.96Å; A90-W94 CarbonylContact O-C 3.59Å; A90-W94 WeakPolarHBondContact O-CA 3.45Å; A90-W94 WeakPolarHBondContact O-CB 3.29Å; A90-W94 PolarHBondContact O-N 3.36Å; W94-F96 HydrophobicContact CB-CB 4.1Å; W94-F96 PolarHBondContact O-N 2.81Å
95N94.4Very high91.9Very high142 Ų14275.9 Ų75.976%0.75941%0.406SS*.  trans5137.5-171.6-166.657.2000111.4A90 E91A90-N95 PolarHBondContact O-N 3.44Å; E91-N95 WeakPolarHBondContact O-CA 3.35Å; E91-N95 PolarHBondContact O-N 3.18Å
96F94.1Very high91.7Very high14 Ų1474.1 Ų74.16%0.06140%0.401CS..  trans-106.4125.5-177.6179.8-92.6000110.3I24 L28 F32 A90 E91 W94 L98I24-F96 HydrophobicContact CG2-CD1 4.42Å; I24-F96 HydrophobicContact CG2-CE1 4.21Å; L28-F96 HydrophobicContact CD2-CB 3.49Å; L28-F96 VanDerWaalsContact CD2-CB 3.49Å; L28-F96 HydrophobicContact CD2-CD1 3.77Å; L28-F96 HydrophobicContact CD2-CD2 4.12Å; L28-F96 HydrophobicContact CD2-CG 3.51Å; L28-F96 HydrophobicContact CG-CB 4.41Å; L28-F96 HydrophobicContact CG-CD1 3.72Å; L28-F96 HydrophobicContact CG-CE1 4.08Å; L28-F96 HydrophobicContact CG-CG 3.96Å; F32-F96 HydrophobicContact CE2-CB 4.42Å; A90-F96 CarbonylContact C-O 3.32Å; A90-F96 HydrophobicContact CB-CB 4.4Å; A90-F96 HydrophobicContact CB-CD1 4.05Å; A90-F96 PolarHBondContact O-N 3.36Å; E91-F96 VanDerWaalsContact CA-O 3.31Å; E91-F96 WeakPolarHBondContact CA-O 3.06Å; E91-F96 PolarHBondContact N-O 3.45Å; W94-F96 HydrophobicContact CB-CB 4.1Å; W94-F96 PolarHBondContact O-N 2.81Å; F96-L98 HydrophobicContact CE1-CB 3.78Å; F96-L98 HydrophobicContact CZ-CB 4.02Å; F96-L98 HydrophobicContact CZ-CD1 4.29Å
97T90.9Very high91.4Very high97 Ų9776.7 Ų76.760%0.59542%0.423SS*.  trans-131.1131.2175.7-48.80000108.7
98L87.3Confident91.3Very high56 Ų5676.2 Ų76.229%0.29342%0.415SS..  trans-122.4105.8175.1-166.771.1000109.2S23 I24 F96S23-L98 VanDerWaalsContact C-CD2 3.49Å; S23-L98 WeakPolarHBondContact O-CD2 3.34Å; I24-L98 HydrophobicContact CG1-CB 4.29Å; I24-L98 HydrophobicContact CG1-CD2 4.46Å; F96-L98 HydrophobicContact CE1-CB 3.78Å; F96-L98 HydrophobicContact CZ-CB 4.02Å; F96-L98 HydrophobicContact CZ-CD1 4.29Å
99A80.1Confident91.2Very high91 Ų9173.6 Ų73.675%0.75240%0.396SS*.  trans-109.4113.8179.600000109.7
100H86Confident90.9Very high74 Ų7478.1 Ų78.134%0.34342%0.419SS..  trans-123.1150.8166.7-62.5106.9000109.3F104 Y105H100-F104 HydrophobicContact CB-CB 4.03Å; H100-F104 HydrophobicContact CB-CD1 3.52Å; H100-F104 HydrophobicContact CB-CE1 4.21Å; H100-F104 HydrophobicContact CB-CG 3.91Å; H100-F104 AromaticContact CG-CD1 3.65Å; H100-F104 AromaticContact CG-CE1 3.82Å; H100-F104 AromaticContact ND1-CE1 3.87Å; H100-Y105 HydrophobicContact CB-CD2 4.44Å; H100-Y105 HydrophobicContact CB-CE2 3.75Å; H100-Y105 AromaticContact ND1-CZ 3.77Å; H100-Y105 PolarHBondContact ND1-OH 3.28Å; H100-Y105 VanDerWaalsContact ND1-OH 3.11Å
101P86.7Confident90.7Very high91 Ų9183 Ų8359%0.59144%0.442SS*.  trans-58.3152.9170.9-21.333000111.7D103 F104P101-D103 VanDerWaalsContact C-N 3.26Å; P101-D103 PolarHBondContact O-N 2.77Å; P101-F104 VanDerWaalsContact O-CB 3.26Å; P101-F104 WeakPolarHBondContact O-CB 3.45Å; P101-F104 PolarHBondContact O-N 2.69Å
102E83.3Confident90.6Very high155 Ų15581.5 Ų81.572%0.72443%0.432SS*.Hα-helixtrans-56.6-41.4177.8-172.2174.1178.800112.2F104 Y105 T106E102-F104 PolarHBondContact O-N 3.37Å; E102-F104 VanDerWaalsContact O-N 3.14Å; E102-Y105 PolarHBondContact O-N 3.04Å; E102-T106 PolarHBondContact O-N 3.41Å; E102-T106 PolarHBondContact O-OG1 3.01Å
103D88.4Confident90.6Very high130 Ų13076.8 Ų76.870%0.69541%0.405SS*.Hα-helixtrans-57.8-29.5177.5-63.8-19.1000113.4P101 A107P101-D103 VanDerWaalsContact C-N 3.26Å; P101-D103 PolarHBondContact O-N 2.77Å; D103-A107 WeakPolarHBondContact O-CB 3.43Å; D103-A107 PolarHBondContact O-N 3.38Å
104F92.1Very high90.6Very high82 Ų8270.8 Ų70.836%0.3638%0.379SS..Hα-helixtrans-64.8-46.7175173.2-94.5000110.7H100 P101 E102 T106 A107 I108H100-F104 HydrophobicContact CB-CB 4.03Å; H100-F104 HydrophobicContact CB-CD1 3.52Å; H100-F104 HydrophobicContact CB-CE1 4.21Å; H100-F104 HydrophobicContact CB-CG 3.91Å; H100-F104 AromaticContact CG-CD1 3.65Å; H100-F104 AromaticContact CG-CE1 3.82Å; H100-F104 AromaticContact ND1-CE1 3.87Å; P101-F104 VanDerWaalsContact O-CB 3.26Å; P101-F104 WeakPolarHBondContact O-CB 3.45Å; P101-F104 PolarHBondContact O-N 2.69Å; E102-F104 PolarHBondContact O-N 3.37Å; E102-F104 VanDerWaalsContact O-N 3.14Å; F104-T106 VanDerWaalsContact C-N 3.34Å; F104-A107 PolarHBondContact O-N 2.98Å; F104-I108 HydrophobicContact CD1-CD1 4.29Å; F104-I108 HydrophobicContact CE1-CD1 3.84Å; F104-I108 HydrophobicContact CE1-CG2 4.4Å; F104-I108 HydrophobicContact CE2-CG2 4.34Å; F104-I108 HydrophobicContact CZ-CD1 4.43Å; F104-I108 HydrophobicContact CZ-CG2 4.17Å; F104-I108 PolarHBondContact O-N 3.42Å; F104-I108 VanDerWaalsContact O-N 3.13Å
105Y91.6Very high90.6Very high22 Ų2273.8 Ų73.89%0.08639%0.393CS..Hα-helixtrans-68-36.3179.5-68.1-61.3000111.6H19 A20 H100 E102 I108 T109H19-Y105 HydrophobicContact CB-CD1 4.29Å; A20-Y105 HydrophobicContact CB-CD1 4.03Å; A20-Y105 HydrophobicContact CB-CD2 4.21Å; A20-Y105 HydrophobicContact CB-CE1 3.89Å; A20-Y105 HydrophobicContact CB-CE2 4Å; A20-Y105 HydrophobicContact CB-CG 4.23Å; H100-Y105 HydrophobicContact CB-CD2 4.44Å; H100-Y105 HydrophobicContact CB-CE2 3.75Å; H100-Y105 AromaticContact ND1-CZ 3.77Å; H100-Y105 PolarHBondContact ND1-OH 3.28Å; H100-Y105 VanDerWaalsContact ND1-OH 3.11Å; E102-Y105 PolarHBondContact O-N 3.04Å; Y105-I108 HydrophobicContact CD1-CD1 3.79Å; Y105-I108 HydrophobicContact CE1-CD1 4.33Å; Y105-I108 VanDerWaalsContact O-CG1 3.32Å; Y105-I108 WeakPolarHBondContact O-CG1 3.4Å; Y105-T109 VanDerWaalsContact O-CB 3.3Å; Y105-T109 WeakPolarHBondContact O-CB 3.46Å; Y105-T109 PolarHBondContact O-N 3.13Å; Y105-T109 PolarHBondContact O-OG1 3.36Å
106T90.5Very high90.6Very high52 Ų5269.6 Ų69.632%0.31937%0.369SS..Hα-helixtrans-60.6-48.2172.8-56.90000111.7E102 F104 I108 T109 E110E102-T106 PolarHBondContact O-N 3.41Å; E102-T106 PolarHBondContact O-OG1 3.01Å; F104-T106 VanDerWaalsContact C-N 3.34Å; T106-I108 PolarHBondContact O-N 2.93Å; T106-T109 VanDerWaalsContact O-CB 3.29Å; T106-T109 WeakPolarHBondContact O-CB 3.17Å; T106-T109 PolarHBondContact O-N 3.11Å; T106-T109 VanDerWaalsContact O-N 3.15Å; T106-E110 PolarHBondContact O-N 2.95Å; T106-E110 VanDerWaalsContact O-N 3.16Å
107A91Very high90.6Very high54 Ų5469 Ų6945%0.44637%0.366SS..Hα-helixtrans-62.5-45.2-178.800000112.7D103 F104 T109 E110 E111D103-A107 WeakPolarHBondContact O-CB 3.43Å; D103-A107 PolarHBondContact O-N 3.38Å; F104-A107 PolarHBondContact O-N 2.98Å; A107-T109 VanDerWaalsContact C-N 3.25Å; A107-T109 PolarHBondContact O-N 2.83Å; A107-E110 PolarHBondContact O-N 3.22Å; A107-E111 PolarHBondContact O-N 3.42Å
108I92.9Very high90.7Very high28 Ų2869.8 Ų69.814%0.14436%0.363CS..Hα-helixtrans-70-26177.769.1-179.4000112.2H19 F104 Y105 T106 Y112H19-I108 HydrophobicContact CB-CD1 3.73Å; H19-I108 HydrophobicContact CB-CG1 3.96Å; F104-I108 HydrophobicContact CD1-CD1 4.29Å; F104-I108 HydrophobicContact CE1-CD1 3.84Å; F104-I108 HydrophobicContact CE1-CG2 4.4Å; F104-I108 HydrophobicContact CE2-CG2 4.34Å; F104-I108 HydrophobicContact CZ-CD1 4.43Å; F104-I108 HydrophobicContact CZ-CG2 4.17Å; F104-I108 PolarHBondContact O-N 3.42Å; F104-I108 VanDerWaalsContact O-N 3.13Å; Y105-I108 HydrophobicContact CD1-CD1 3.79Å; Y105-I108 HydrophobicContact CE1-CD1 4.33Å; Y105-I108 VanDerWaalsContact O-CG1 3.32Å; Y105-I108 WeakPolarHBondContact O-CG1 3.4Å; T106-I108 PolarHBondContact O-N 2.93Å; I108-Y112 WeakPolarHBondContact O-CB 3.31Å; I108-Y112 PolarHBondContact O-N 3.13Å
109T93.8Very high91.1Very high7 Ų776 Ų764%0.04339%0.388CS..Hα-helixtrans-62.8-50.5174.8-62.60000110.5I13 K14 P16 H19 Y105 T106 A107 Y112 Y113I13-T109 WeakPolarHBondContact O-CG2 3.39Å; K14-T109 VanDerWaalsContact C-CG2 3.44Å; K14-T109 WeakPolarHBondContact O-CG2 3.49Å; P16-T109 WeakPolarHBondContact CA-OG1 3.46Å; H19-T109 PolarHBondContact CD2-OG1 3.48Å; Y105-T109 VanDerWaalsContact O-CB 3.3Å; Y105-T109 WeakPolarHBondContact O-CB 3.46Å; Y105-T109 PolarHBondContact O-N 3.13Å; Y105-T109 PolarHBondContact O-OG1 3.36Å; T106-T109 VanDerWaalsContact O-CB 3.29Å; T106-T109 WeakPolarHBondContact O-CB 3.17Å; T106-T109 PolarHBondContact O-N 3.11Å; T106-T109 VanDerWaalsContact O-N 3.15Å; A107-T109 VanDerWaalsContact C-N 3.25Å; A107-T109 PolarHBondContact O-N 2.83Å; T109-Y112 PolarHBondContact O-N 3.47Å; T109-Y113 VanDerWaalsContact O-CB 3.24Å; T109-Y113 WeakPolarHBondContact O-CB 3.35Å; T109-Y113 PolarHBondContact O-N 3.44Å
110E90.9Very high91.7Very high136 Ų13674 Ų7464%0.63637%0.367SS*.Hα-helixtrans-61-49.8179.2-67.1178.9166.300111.3T106 A107 Y112 Y113 A114T106-E110 PolarHBondContact O-N 2.95Å; T106-E110 VanDerWaalsContact O-N 3.16Å; A107-E110 PolarHBondContact O-N 3.22Å; E110-Y112 PolarHBondContact O-N 3.33Å; E110-Y113 PolarHBondContact O-N 3.04Å; E110-A114 WeakPolarHBondContact O-CB 2.99Å; E110-A114 PolarHBondContact O-N 2.9Å
111E92.7Very high92.1Very high104 Ų10473.5 Ų73.549%0.48638%0.381SS..Hα-helixtrans-61.7-43.7179.6-174.5-175.9179.500112A107 K115A107-E111 PolarHBondContact O-N 3.42Å; E111-K115 HydrophobicContact CG-CD 4.27Å; E111-K115 WeakPolarHBondContact O-CB 3.44Å; E111-K115 WeakPolarHBondContact O-CG 3.15Å; E111-K115 PolarHBondContact O-N 2.79Å; E111-K115 WeakPolarHBondContact OE1-CE 3.17Å; E111-K115 IonicContact OE1-NZ 3.81Å; E111-K115 PolarHBondContact OE1-NZ 2.72Å
112Y94.2Very high92.6Very high69 Ų6971.1 Ų71.127%0.27136%0.362SS..Hα-helixtrans-69.7-40.1-179.4-170.8-80.8000111.6I13 H19 P43 I108 T109 E110 K115 H116I13-Y112 HydrophobicContact CG2-CD1 3.59Å; I13-Y112 HydrophobicContact CG2-CE1 4Å; H19-Y112 AromaticContact CE1-CD1 3.68Å; H19-Y112 AromaticContact CE1-CG 3.61Å; P43-Y112 HydrophobicContact CB-CE1 4.21Å; I108-Y112 WeakPolarHBondContact O-CB 3.31Å; I108-Y112 PolarHBondContact O-N 3.13Å; T109-Y112 PolarHBondContact O-N 3.47Å; E110-Y112 PolarHBondContact O-N 3.33Å; Y112-K115 PolarHBondContact O-N 2.75Å; Y112-H116 VanDerWaalsContact O-CB 3.26Å; Y112-H116 WeakPolarHBondContact O-CB 3.36Å; Y112-H116 PolarHBondContact O-N 3.47Å
113Y94.4Very high93.2Very high22 Ų2267.1 Ų67.19%0.08634%0.343CS..Hα-helixtrans-59.8-49.5175.1-179.5-105.4000111I13 K14 L45 T109 E110 K115 H116 L117 E261 L291I13-Y113 HydrophobicContact CB-CD2 4.39Å; I13-Y113 HydrophobicContact CG2-CD2 3.98Å; K14-Y113 HydrophobicContact CB-CD2 4.43Å; K14-Y113 HydrophobicContact CD-CE2 4.45Å; L45-Y113 HydrophobicContact CD2-CD2 4.38Å; L45-Y113 HydrophobicContact CD2-CE2 3.68Å; T109-Y113 VanDerWaalsContact O-CB 3.24Å; T109-Y113 WeakPolarHBondContact O-CB 3.35Å; T109-Y113 PolarHBondContact O-N 3.44Å; E110-Y113 PolarHBondContact O-N 3.04Å; Y113-K115 PolarHBondContact O-N 2.65Å; Y113-H116 WeakPolarHBondContact O-CB 3.42Å; Y113-H116 PolarHBondContact O-N 3.3Å; Y113-L117 HydrophobicContact CD1-CD1 4.26Å; Y113-L117 HydrophobicContact CE1-CD1 3.55Å; Y113-L117 HydrophobicContact CE1-CG 4.25Å; Y113-L117 HydrophobicContact CE2-CD1 4.23Å; Y113-L117 HydrophobicContact CE2-CD2 4.33Å; Y113-L117 HydrophobicContact CE2-CG 4.27Å; Y113-L117 WeakPolarHBondContact O-CG 3.36Å; Y113-L117 PolarHBondContact O-N 2.96Å; Y113-E261 PolarHBondContact OH-OE1 3.16Å; Y113-L291 HydrophobicContact CE1-CD2 4.32Å
114A93.4Very high93.7Very high8 Ų861.3 Ų61.37%0.06631%0.311CS..Hα-helixtrans-56.3-50.517600000112.1E110 H116 L117 Q118 M293E110-A114 WeakPolarHBondContact O-CB 2.99Å; E110-A114 PolarHBondContact O-N 2.9Å; A114-H116 VanDerWaalsContact C-N 3.32Å; A114-H116 PolarHBondContact O-N 3.26Å; A114-L117 PolarHBondContact O-N 3.34Å; A114-Q118 WeakPolarHBondContact O-CB 3.44Å; A114-Q118 VanDerWaalsContact O-CG 3.26Å; A114-Q118 WeakPolarHBondContact O-CG 3.27Å; A114-Q118 PolarHBondContact O-N 3.41Å; A114-M293 WeakPolarHBondContact CB-OXT 3.48Å
115K94.3Very high94Very high115 Ų11557.4 Ų57.450%0.529%0.294SS..Hα-helixtrans-61.4-39177.4-75178.3-175.8173.30112.6E111 Y112 Y113 Q118 K119E111-K115 HydrophobicContact CG-CD 4.27Å; E111-K115 WeakPolarHBondContact O-CB 3.44Å; E111-K115 WeakPolarHBondContact O-CG 3.15Å; E111-K115 PolarHBondContact O-N 2.79Å; E111-K115 WeakPolarHBondContact OE1-CE 3.17Å; E111-K115 IonicContact OE1-NZ 3.81Å; E111-K115 PolarHBondContact OE1-NZ 2.72Å; Y112-K115 PolarHBondContact O-N 2.75Å; Y113-K115 PolarHBondContact O-N 2.65Å; K115-Q118 PolarHBondContact O-N 2.87Å; K115-K119 WeakPolarHBondContact O-CB 3.29Å; K115-K119 PolarHBondContact O-N 3.45Å
116H94Very high94.4Very high55 Ų5557.5 Ų57.526%0.25530%0.295SS..Hα-helixtrans-62.1-47.6178.7-175.894.7000111I13 Y112 Y113 A114 K119I13-H116 HydrophobicContact CD1-CB 4.48Å; Y112-H116 VanDerWaalsContact O-CB 3.26Å; Y112-H116 WeakPolarHBondContact O-CB 3.36Å; Y112-H116 PolarHBondContact O-N 3.47Å; Y113-H116 WeakPolarHBondContact O-CB 3.42Å; Y113-H116 PolarHBondContact O-N 3.3Å; A114-H116 VanDerWaalsContact C-N 3.32Å; A114-H116 PolarHBondContact O-N 3.26Å; H116-K119 PolarHBondContact O-N 2.93Å
117L94.8Very high94.8Very high1 Ų155 Ų551%0.00528%0.28CS..Hα-helixtrans-65.5-44.8176.7-64.7-167.3000111.6L45 Y113 A114 K119 T120 F124 I260 L291 M293L45-L117 HydrophobicContact CD1-CD2 4.43Å; L45-L117 HydrophobicContact CD2-CD2 3.94Å; Y113-L117 HydrophobicContact CD1-CD1 4.26Å; Y113-L117 HydrophobicContact CE1-CD1 3.55Å; Y113-L117 HydrophobicContact CE1-CG 4.25Å; Y113-L117 HydrophobicContact CE2-CD1 4.23Å; Y113-L117 HydrophobicContact CE2-CD2 4.33Å; Y113-L117 HydrophobicContact CE2-CG 4.27Å; Y113-L117 WeakPolarHBondContact O-CG 3.36Å; Y113-L117 PolarHBondContact O-N 2.96Å; A114-L117 PolarHBondContact O-N 3.34Å; L117-K119 PolarHBondContact O-N 2.98Å; L117-T120 WeakPolarHBondContact O-CB 3.47Å; L117-T120 PolarHBondContact O-N 3.18Å; L117-T120 VanDerWaalsContact O-N 3.14Å; L117-T120 PolarHBondContact O-OG1 2.82Å; L117-F124 HydrophobicContact CB-CD2 4.17Å; L117-F124 HydrophobicContact CB-CE1 4.39Å; L117-F124 HydrophobicContact CB-CE2 3.78Å; L117-F124 HydrophobicContact CB-CZ 3.89Å; L117-F124 HydrophobicContact CD1-CD1 4.13Å; L117-F124 HydrophobicContact CD1-CD2 4.41Å; L117-F124 HydrophobicContact CD1-CE1 4.35Å; L117-F124 HydrophobicContact CD1-CG 4.15Å; L117-F124 HydrophobicContact CD2-CD1 4.2Å; L117-F124 HydrophobicContact CD2-CE1 3.64Å; L117-F124 HydrophobicContact CD2-CZ 3.84Å; L117-F124 HydrophobicContact CG-CE1 4.34Å; L117-F124 HydrophobicContact CG-CZ 4.31Å; L117-F124 WeakPolarHBondContact O-CE2 3.3Å; L117-I260 HydrophobicContact CD2-CD1 4.31Å; L117-L291 HydrophobicContact CD1-CD2 3.76Å; L117-M293 HydrophobicContact CB-CE 3.26Å; L117-M293 HydrophobicContact CB-SD 3.67Å; L117-M293 HydrophobicContact CD1-CE 4.39Å; L117-M293 HydrophobicContact CD1-SD 3.66Å; L117-M293 HydrophobicContact CG-CE 4.47Å; L117-M293 HydrophobicContact CG-SD 4.32Å
118Q93.5Very high95.1Very high114 Ų11453.6 Ų53.653%0.53327%0.265SS..Hα-helixtrans-58.6-36.3179.4-74.6172.417.800112.2A114 K115 T120 G121 M293A114-Q118 WeakPolarHBondContact O-CB 3.44Å; A114-Q118 VanDerWaalsContact O-CG 3.26Å; A114-Q118 WeakPolarHBondContact O-CG 3.27Å; A114-Q118 PolarHBondContact O-N 3.41Å; K115-Q118 PolarHBondContact O-N 2.87Å; Q118-T120 PolarHBondContact O-N 2.82Å; Q118-G121 PolarHBondContact O-N 2.91Å; Q118-G121 VanDerWaalsContact O-N 3.09Å; Q118-M293 HydrophobicContact CB-CE 4.14Å; Q118-M293 HydrophobicContact CG-CE 3.41Å; Q118-M293 VanDerWaalsContact CG-CE 3.41Å; Q118-M293 VanDerWaalsContact N-CE 3.26Å
119K94Very high95.4Very high186 Ų18652.4 Ų52.481%0.80926%0.258SS*.Hα-helixtrans-61.3-25.8-179.4-172.2179.5178.2-176.50113.4K115 H116 L117 G121K115-K119 WeakPolarHBondContact O-CB 3.29Å; K115-K119 PolarHBondContact O-N 3.45Å; H116-K119 PolarHBondContact O-N 2.93Å; L117-K119 PolarHBondContact O-N 2.98Å; K119-G121 VanDerWaalsContact C-N 3.26Å; K119-G121 PolarHBondContact O-N 2.87Å
120T93.3Very high95.6Very high50 Ų5052.8 Ų52.831%0.30726%0.261SS..THydrogen-bonded Turntrans-68.9-26.5177.966.90000112.4L117 Q118 H122 F124L117-T120 WeakPolarHBondContact O-CB 3.47Å; L117-T120 PolarHBondContact O-N 3.18Å; L117-T120 VanDerWaalsContact O-N 3.14Å; L117-T120 PolarHBondContact O-OG1 2.82Å; Q118-T120 PolarHBondContact O-N 2.82Å; T120-H122 PolarHBondContact O-CD2 3.12Å; T120-H122 PolarHBondContact O-N 3.11Å; T120-H122 WeakPolarHBondContact OG1-CB 3.26Å; T120-H122 PolarHBondContact OG1-N 3.41Å; T120-H122 VanDerWaalsContact OG1-N 3.1Å; T120-F124 HydrophobicContact CG2-CZ 4.27Å; T120-F124 WeakPolarHBondContact OG1-CE2 3.45Å; T120-F124 WeakPolarHBondContact OG1-CZ 3.49Å
121G93.9Very high95.9Very high63 Ų6346.9 Ų46.965%0.64923%0.234SC*.  trans695.6-169.700000114.1Q118 K119Q118-G121 PolarHBondContact O-N 2.91Å; Q118-G121 VanDerWaalsContact O-N 3.09Å; K119-G121 VanDerWaalsContact C-N 3.26Å; K119-G121 PolarHBondContact O-N 2.87Å
122H97.1Very high95.9Very high40 Ų4044.3 Ų44.319%0.18523%0.231CC..  trans-86.1170.1178.8-65.4166.4000112T120 F124 E142 L143 F144 D146T120-H122 PolarHBondContact O-CD2 3.12Å; T120-H122 PolarHBondContact O-N 3.11Å; T120-H122 WeakPolarHBondContact OG1-CB 3.26Å; T120-H122 PolarHBondContact OG1-N 3.41Å; T120-H122 VanDerWaalsContact OG1-N 3.1Å; H122-F124 HydrophobicContact CB-CE2 4.19Å; H122-F124 HydrophobicContact CB-CZ 4.17Å; H122-F124 WeakPolarHBondContact O-CE2 3.49Å; H122-E142 HydrophobicContact CB-CG 4.07Å; H122-E142 IonicContact CE1-OE1 3.49Å; H122-E142 IonicContact CG-OE1 2.95Å; H122-E142 IonicContact ND1-OE1 3.86Å; H122-E142 PolarHBondContact ND1-OE1 2.88Å; H122-L143 WeakPolarHBondContact CB-O 3.25Å; H122-F144 AromaticContact CE1-CD1 3.84Å; H122-F144 AromaticContact ND1-CD1 3.84Å; H122-D146 IonicContact CD2-OD1 2.63Å; H122-D146 IonicContact CE1-OD1 3.06Å; H122-D146 VanDerWaalsContact NE2-CG 3.29Å; H122-D146 IonicContact NE2-OD1 2.75Å; H122-D146 PolarHBondContact NE2-OD1 3.4Å; H122-D146 VanDerWaalsContact NE2-OD1 3.16Å; H122-D146 IonicContact NE2-OD2 2.92Å
123K97.4Very high95.8Very high72 Ų7244.3 Ų44.331%0.31325%0.251SS..EExtended strand (participates in β ladder)trans-100.1147.5174.4-54.3-166.2-169.1-173.70110.8L143 E156K123-L143 HydrophobicContact CB-CB 4.35Å; K123-L143 HydrophobicContact CB-CD1 4.44Å; K123-L143 PolarHBondContact N-O 3.42Å; K123-L143 PolarHBondContact O-N 3.17Å; K123-E156 WeakPolarHBondContact CD-OE2 3.09Å; K123-E156 WeakPolarHBondContact CE-OE2 3.35Å; K123-E156 IonicContact NZ-OE1 3.98Å; K123-E156 IonicContact NZ-OE2 3.59Å; K123-E156 PolarHBondContact NZ-OE2 2.73Å
124F98.4Very high95.8Very high8 Ų847.8 Ų47.84%0.03527%0.268CS..EExtended strand (participates in β ladder)trans-128.3130.5-176.5-61.6-87.2000110.6L117 T120 H122 F141 E142 I260 V290 L291 M293L117-F124 HydrophobicContact CB-CD2 4.17Å; L117-F124 HydrophobicContact CB-CE1 4.39Å; L117-F124 HydrophobicContact CB-CE2 3.78Å; L117-F124 HydrophobicContact CB-CZ 3.89Å; L117-F124 HydrophobicContact CD1-CD1 4.13Å; L117-F124 HydrophobicContact CD1-CD2 4.41Å; L117-F124 HydrophobicContact CD1-CE1 4.35Å; L117-F124 HydrophobicContact CD1-CG 4.15Å; L117-F124 HydrophobicContact CD2-CD1 4.2Å; L117-F124 HydrophobicContact CD2-CE1 3.64Å; L117-F124 HydrophobicContact CD2-CZ 3.84Å; L117-F124 HydrophobicContact CG-CE1 4.34Å; L117-F124 HydrophobicContact CG-CZ 4.31Å; L117-F124 WeakPolarHBondContact O-CE2 3.3Å; T120-F124 HydrophobicContact CG2-CZ 4.27Å; T120-F124 WeakPolarHBondContact OG1-CE2 3.45Å; T120-F124 WeakPolarHBondContact OG1-CZ 3.49Å; H122-F124 HydrophobicContact CB-CE2 4.19Å; H122-F124 HydrophobicContact CB-CZ 4.17Å; H122-F124 WeakPolarHBondContact O-CE2 3.49Å; F124-F141 VanDerWaalsContact CA-O 3.29Å; F124-F141 WeakPolarHBondContact CA-O 3.33Å; F124-E142 HydrophobicContact CD1-CB 3.95Å; F124-E142 HydrophobicContact CD1-CG 4.26Å; F124-E142 HydrophobicContact CE1-CB 3.57Å; F124-E142 HydrophobicContact CE1-CG 3.53Å; F124-E142 HydrophobicContact CZ-CB 4.49Å; F124-E142 HydrophobicContact CZ-CG 3.97Å; F124-I260 HydrophobicContact CD1-CD1 3.64Å; F124-I260 HydrophobicContact CE1-CD1 4.01Å; F124-V290 WeakPolarHBondContact O-CG1 3.21Å; F124-L291 HydrophobicContact CB-CB 3.82Å; F124-L291 HydrophobicContact CB-CD2 4.07Å; F124-L291 PolarHBondContact O-N 3.41Å; F124-M293 HydrophobicContact CD2-CE 4.12Å; F124-M293 HydrophobicContact CD2-SD 4.24Å; F124-M293 HydrophobicContact CE2-CE 4.32Å
125V98.8Very high95.9Very high0 Ų054.1 Ų54.10%030%0.301CS..EExtended strand (participates in β ladder)trans-134163-177.9-61.90000110.3C140 F141 L143 F155 E156 C159 G289V125-C140 CarbonylContact O-C 3.44Å; V125-C140 WeakPolarHBondContact O-CA 3.45Å; V125-F141 HydrophobicContact CG2-CB 3.96Å; V125-F141 HydrophobicContact CG2-CD2 4.24Å; V125-F141 PolarHBondContact N-O 3.11Å; V125-F141 PolarHBondContact O-N 3.38Å; V125-L143 HydrophobicContact CG1-CD1 3.99Å; V125-L143 HydrophobicContact CG2-CD1 4.04Å; V125-L143 HydrophobicContact CG2-CD2 4.06Å; V125-L143 HydrophobicContact CG2-CG 4.14Å; V125-F155 HydrophobicContact CG2-CD1 3.88Å; V125-F155 HydrophobicContact CG2-CE1 3.72Å; V125-E156 HydrophobicContact CG1-CB 4.14Å; V125-E156 HydrophobicContact CG1-CG 3.99Å; V125-C159 HydrophobicContact CB-CB 4.32Å; V125-C159 HydrophobicContact CG1-CB 4.38Å; V125-G289 CarbonylContact C-O 3.38Å; V125-G289 VanDerWaalsContact CA-O 3.26Å; V125-G289 WeakPolarHBondContact CA-O 3.32Å; V125-G289 WeakPolarHBondContact CB-O 3.32Å
126F98.7Very high96Very high24 Ų2452.1 Ų52.111%0.10530%0.3CS..EExtended strand (participates in β ladder)trans-133.9154.5176.874.9-89000112D128 R138 I139 C288 G289 V290F126-D128 WeakPolarHBondContact CE2-OD2 3.44Å; F126-R138 HydrophobicContact CB-CG 3.86Å; F126-R138 HydrophobicContact CD2-CG 4.22Å; F126-R138 VanDerWaalsContact CD2-NE 3.28Å; F126-R138 VanDerWaalsContact CE2-NH2 3.28Å; F126-R138 HydrophobicContact CG-CG 4.37Å; F126-I139 CarbonylContact C-O 3.55Å; F126-I139 VanDerWaalsContact CA-O 3.29Å; F126-I139 WeakPolarHBondContact CA-O 3.46Å; F126-C288 VanDerWaalsContact O-CA 3.23Å; F126-C288 WeakPolarHBondContact O-CA 3.36Å; F126-C288 WeakPolarHBondContact O-CB 3.07Å; F126-G289 WeakPolarHBondContact CD1-O 3.36Å; F126-G289 PolarHBondContact N-O 3.42Å; F126-G289 PolarHBondContact O-N 2.88Å; F126-G289 VanDerWaalsContact O-N 3.17Å; F126-V290 WeakPolarHBondContact CE1-O 3.31Å
127L98.8Very high96.2Very high0 Ų055.1 Ų55.10%031%0.309CS..EExtended strand (participates in β ladder)trans-124.4125.6164.7-52.6176.3000107.8V129 R138 I139 F141 Y174 F179 F239 V285 A287 C288L127-V129 HydrophobicContact CB-CG2 4.13Å; L127-R138 WeakPolarHBondContact O-CA 3.39Å; L127-I139 HydrophobicContact CB-CG2 3.88Å; L127-I139 PolarHBondContact N-O 2.59Å; L127-I139 WeakPolarHBondContact O-CG2 3.48Å; L127-I139 PolarHBondContact O-N 2.88Å; L127-F141 HydrophobicContact CB-CE2 4.34Å; L127-F141 HydrophobicContact CD1-CE2 3.79Å; L127-F141 HydrophobicContact CD1-CZ 4.15Å; L127-F141 HydrophobicContact CG-CE2 3.76Å; L127-Y174 HydrophobicContact CD2-CD2 4.31Å; L127-F179 HydrophobicContact CD1-CZ 4.4Å; L127-F239 HydrophobicContact CD1-CE1 4.42Å; L127-F239 HydrophobicContact CD1-CE2 4.36Å; L127-F239 HydrophobicContact CD1-CZ 3.7Å; L127-V285 HydrophobicContact CB-CG1 4.24Å; L127-V285 HydrophobicContact CB-CG2 4.49Å; L127-V285 HydrophobicContact CD1-CG2 4.25Å; L127-V285 HydrophobicContact CD2-CG1 4.05Å; L127-A287 CarbonylContact C-O 3.18Å; L127-C288 HydrophobicContact CD2-CB 3.39Å
128D98.5Very high96.3Very high24 Ų2460 Ų6013%0.12833%0.327CS..EExtended strand (participates in β ladder)trans-86.4120.8164.6-65.3-29.3000107.7F126 P136 R138 V285 S286 A287F126-D128 WeakPolarHBondContact CE2-OD2 3.44Å; D128-P136 HydrophobicContact CB-CB 4.33Å; D128-R138 WeakPolarHBondContact OD1-CA 3.46Å; D128-R138 VanDerWaalsContact OD1-CB 3.26Å; D128-R138 WeakPolarHBondContact OD1-CB 3.36Å; D128-R138 WeakPolarHBondContact OD1-CG 3.47Å; D128-R138 IonicContact OD1-CZ 3.3Å; D128-R138 IonicContact OD1-NE 3.51Å; D128-R138 PolarHBondContact OD1-NE 3.12Å; D128-R138 IonicContact OD1-NH2 3.84Å; D128-R138 PolarHBondContact OD1-NH2 3.01Å; D128-R138 IonicContact OD2-CZ 2.93Å; D128-R138 IonicContact OD2-NE 3.37Å; D128-R138 IonicContact OD2-NH2 3.47Å; D128-R138 PolarHBondContact OD2-NH2 2.88Å; D128-V285 CarbonylContact O-C 3.24Å; D128-V285 WeakPolarHBondContact O-CA 3.47Å; D128-S286 PolarHBondContact O-N 2.82Å; D128-S286 PolarHBondContact O-OG 3Å; D128-S286 VanDerWaalsContact O-OG 3.09Å; D128-A287 HydrophobicContact CB-CB 4.05Å; D128-A287 PolarHBondContact N-O 3.15Å; D128-A287 PolarHBondContact O-N 3.48Å
129V98.4Very high96.5Very high2 Ų254.5 Ų54.51%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-116.8128.6-171.1-173.40000109.9L127 V131 R137 I139 F179 V265 L269 R284L127-V129 HydrophobicContact CB-CG2 4.13Å; V129-V131 HydrophobicContact CG1-CG2 3.94Å; V129-R137 PolarHBondContact N-O 3.46Å; V129-R137 PolarHBondContact O-N 2.95Å; V129-I139 HydrophobicContact CG2-CG2 3.91Å; V129-F179 HydrophobicContact CB-CE2 4.43Å; V129-F179 HydrophobicContact CG1-CD2 4.04Å; V129-F179 HydrophobicContact CG1-CE2 3.71Å; V129-F179 HydrophobicContact CG2-CE2 3.76Å; V129-F179 HydrophobicContact CG2-CZ 4.25Å; V129-V265 HydrophobicContact CB-CG1 3.81Å; V129-V265 HydrophobicContact CG1-CG1 4.29Å; V129-V265 HydrophobicContact CG2-CG1 4.08Å; V129-L269 HydrophobicContact CG1-CD2 4.37Å; V129-R284 CarbonylContact C-O 3.47Å; V129-R284 WeakPolarHBondContact CA-O 3.39Å
130V98Very high96.7Very high15 Ų1545.7 Ų45.79%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-96.8121.2168.8169.40000107.9E134 P136 C283 R284V130-E134 WeakPolarHBondContact CG1-O 3.48Å; V130-P136 HydrophobicContact CG2-CB 4.04Å; V130-P136 HydrophobicContact CG2-CG 3.64Å; V130-C283 CarbonylContact O-C 3.55Å; V130-C283 VanDerWaalsContact O-CA 3.31Å; V130-C283 WeakPolarHBondContact O-CA 3.31Å; V130-R284 PolarHBondContact N-O 3.31Å; V130-R284 PolarHBondContact O-N 3.4Å
131V96.6Very high97Very high13 Ų1343.3 Ų43.38%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-113.2123.6176.9-179.20000108.2V129 G133 E134 K268 L269V129-V131 HydrophobicContact CG1-CG2 3.94Å; V131-G133 PolarHBondContact O-N 3Å; V131-G133 VanDerWaalsContact O-N 3.09Å; V131-E134 WeakPolarHBondContact O-CB 3.49Å; V131-E134 WeakPolarHBondContact O-CG 3.45Å; V131-E134 PolarHBondContact O-N 2.92Å; V131-K268 HydrophobicContact CG1-CB 4.36Å; V131-L269 HydrophobicContact CG2-CD2 3.78Å; V131-L269 HydrophobicContact CG2-CG 4.11Å
132A93.1Very high97.2Very high50 Ų5040.6 Ų40.641%0.41322%0.219SC..THydrogen-bonded Turntrans54.429.6177.900000115.2E134 Y281 E282A132-E134 VanDerWaalsContact C-N 3.29Å; A132-E134 PolarHBondContact O-N 2.92Å; A132-Y281 HydrophobicContact CB-CD2 4.47Å; A132-Y281 HydrophobicContact CB-CG 4.11Å; A132-E282 PolarHBondContact N-O 2.63Å
133G91.8Very high97.3Very high68 Ų6838.7 Ų38.770%0.70121%0.21SC*.THydrogen-bonded Turntrans78.57.4179.700000115V131V131-G133 PolarHBondContact O-N 3Å; V131-G133 VanDerWaalsContact O-N 3.09Å
134E94.9Very high97.3Very high96 Ų9636.8 Ų36.845%0.44920%0.202SC..PPolyproline II helixtrans-71.1168.5172.4-62.7-176.2-173.400112.4V130 V131 A132 K268V130-E134 WeakPolarHBondContact CG1-O 3.48Å; V131-E134 WeakPolarHBondContact O-CB 3.49Å; V131-E134 WeakPolarHBondContact O-CG 3.45Å; V131-E134 PolarHBondContact O-N 2.92Å; A132-E134 VanDerWaalsContact C-N 3.29Å; A132-E134 PolarHBondContact O-N 2.92Å; E134-K268 IonicContact OE2-NZ 2.69Å; E134-K268 PolarHBondContact OE2-NZ 2.92Å
135D96.4Very high97.3Very high140 Ų14037.4 Ų37.475%0.74921%0.207SC*.PPolyproline II helixtrans-56139.3177-67.9-42.9000111.8R137D135-R137 PolarHBondContact O-N 3.34Å
136P96.8Very high97.2Very high74 Ų7442.5 Ų42.548%0.48124%0.235SC..PPolyproline II helixtrans-54132.4176.5-22.629.8000111.8D128 V130D128-P136 HydrophobicContact CB-CB 4.33Å; V130-P136 HydrophobicContact CG2-CB 4.04Å; V130-P136 HydrophobicContact CG2-CG 3.64Å
137R97.1Very high97.1Very high117 Ų11743.8 Ų43.844%0.44224%0.244SC..EExtended strand (participates in β ladder)trans-125143.7172-68.9-173.2-179.6-152.7-3.5110.5V129 D135 V265V129-R137 PolarHBondContact N-O 3.46Å; V129-R137 PolarHBondContact O-N 2.95Å; D135-R137 PolarHBondContact O-N 3.34Å; R137-V265 HydrophobicContact CB-CG2 3.42Å; R137-V265 VanDerWaalsContact CB-CG2 3.42Å
138R97.6Very high97.1Very high103 Ų10343.8 Ų43.839%0.38924%0.244SC..EExtended strand (participates in β ladder)trans-84.5138.9-175-171.6160.8-69.5-178.4-1.8112.2F126 L127 D128 G262 V265F126-R138 HydrophobicContact CB-CG 3.86Å; F126-R138 HydrophobicContact CD2-CG 4.22Å; F126-R138 VanDerWaalsContact CD2-NE 3.28Å; F126-R138 VanDerWaalsContact CE2-NH2 3.28Å; F126-R138 HydrophobicContact CG-CG 4.37Å; L127-R138 WeakPolarHBondContact O-CA 3.39Å; D128-R138 WeakPolarHBondContact OD1-CA 3.46Å; D128-R138 VanDerWaalsContact OD1-CB 3.26Å; D128-R138 WeakPolarHBondContact OD1-CB 3.36Å; D128-R138 WeakPolarHBondContact OD1-CG 3.47Å; D128-R138 IonicContact OD1-CZ 3.3Å; D128-R138 IonicContact OD1-NE 3.51Å; D128-R138 PolarHBondContact OD1-NE 3.12Å; D128-R138 IonicContact OD1-NH2 3.84Å; D128-R138 PolarHBondContact OD1-NH2 3.01Å; D128-R138 IonicContact OD2-CZ 2.93Å; D128-R138 IonicContact OD2-NE 3.37Å; D128-R138 IonicContact OD2-NH2 3.47Å; D128-R138 PolarHBondContact OD2-NH2 2.88Å; R138-G262 WeakPolarHBondContact O-CA 3.26Å; R138-V265 WeakPolarHBondContact O-CG2 3.47Å
139I98.2Very high97.1Very high0 Ų045.8 Ų45.80%026%0.258CS..EExtended strand (participates in β ladder)trans-119.9129.8161.2-173.4170000108.2F126 L127 V129 F141 I241 V259 E261 V265 L266F126-I139 CarbonylContact C-O 3.55Å; F126-I139 VanDerWaalsContact CA-O 3.29Å; F126-I139 WeakPolarHBondContact CA-O 3.46Å; L127-I139 HydrophobicContact CB-CG2 3.88Å; L127-I139 PolarHBondContact N-O 2.59Å; L127-I139 WeakPolarHBondContact O-CG2 3.48Å; L127-I139 PolarHBondContact O-N 2.88Å; V129-I139 HydrophobicContact CG2-CG2 3.91Å; I139-F141 HydrophobicContact CB-CE2 4.41Å; I139-F141 HydrophobicContact CB-CZ 4.36Å; I139-F141 HydrophobicContact CD1-CE1 4.15Å; I139-F141 HydrophobicContact CD1-CZ 3.8Å; I139-F141 HydrophobicContact CG1-CE1 4.25Å; I139-F141 HydrophobicContact CG1-CE2 4.16Å; I139-F141 HydrophobicContact CG1-CZ 3.76Å; I139-F141 HydrophobicContact CG2-CE2 3.74Å; I139-F141 HydrophobicContact CG2-CZ 3.77Å; I139-I241 HydrophobicContact CD1-CD1 3.95Å; I139-V259 HydrophobicContact CD1-CG1 3.96Å; I139-V259 HydrophobicContact CD1-CG2 3.86Å; I139-V259 HydrophobicContact CG1-CG1 3.76Å; I139-V259 HydrophobicContact CG1-CG2 4.31Å; I139-E261 WeakPolarHBondContact CA-O 3.18Å; I139-E261 WeakPolarHBondContact CG1-O 3.27Å; I139-V265 HydrophobicContact CB-CB 4.35Å; I139-V265 HydrophobicContact CB-CG1 4.37Å; I139-L266 HydrophobicContact CD1-CB 4.38Å
140C98.3Very high97.1Very high0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-111144.4-177.8-59.80000110.2V125 V259 I260 E261V125-C140 CarbonylContact O-C 3.44Å; V125-C140 WeakPolarHBondContact O-CA 3.45Å; C140-V259 WeakPolarHBondContact O-CA 3.22Å; C140-I260 HydrophobicContact CB-CD1 4.17Å; C140-I260 HydrophobicContact CB-CG1 3.74Å; C140-I260 WeakPolarHBondContact O-CG1 3.48Å; C140-I260 PolarHBondContact O-N 2.51Å; C140-E261 HydrophobicContact CB-CB 3.82Å; C140-E261 HydrophobicContact CB-CG 4.17Å; C140-E261 PolarHBondContact N-O 2.67Å; C140-E261 PolarHBondContact SG-OE2 3.37Å
141F98.6Very high97.1Very high0 Ų048.3 Ų48.30%027%0.268CS..EExtended strand (participates in β ladder)trans-125.6140.9-177.7-54.3-89.3000111F124 V125 L127 I139 L143 L225 I241 R258 V259F124-F141 VanDerWaalsContact CA-O 3.29Å; F124-F141 WeakPolarHBondContact CA-O 3.33Å; V125-F141 HydrophobicContact CG2-CB 3.96Å; V125-F141 HydrophobicContact CG2-CD2 4.24Å; V125-F141 PolarHBondContact N-O 3.11Å; V125-F141 PolarHBondContact O-N 3.38Å; L127-F141 HydrophobicContact CB-CE2 4.34Å; L127-F141 HydrophobicContact CD1-CE2 3.79Å; L127-F141 HydrophobicContact CD1-CZ 4.15Å; L127-F141 HydrophobicContact CG-CE2 3.76Å; I139-F141 HydrophobicContact CB-CE2 4.41Å; I139-F141 HydrophobicContact CB-CZ 4.36Å; I139-F141 HydrophobicContact CD1-CE1 4.15Å; I139-F141 HydrophobicContact CD1-CZ 3.8Å; I139-F141 HydrophobicContact CG1-CE1 4.25Å; I139-F141 HydrophobicContact CG1-CE2 4.16Å; I139-F141 HydrophobicContact CG1-CZ 3.76Å; I139-F141 HydrophobicContact CG2-CE2 3.74Å; I139-F141 HydrophobicContact CG2-CZ 3.77Å; F141-L143 HydrophobicContact CB-CD2 4.25Å; F141-L225 HydrophobicContact CB-CD2 4.23Å; F141-L225 HydrophobicContact CD1-CB 4.37Å; F141-L225 HydrophobicContact CD1-CD1 4.32Å; F141-L225 HydrophobicContact CD1-CD2 3.85Å; F141-L225 HydrophobicContact CD1-CG 4.41Å; F141-L225 HydrophobicContact CE1-CD1 4.21Å; F141-L225 HydrophobicContact CG-CD2 4.16Å; F141-I241 HydrophobicContact CE1-CD1 3.58Å; F141-I241 HydrophobicContact CE1-CG1 3.98Å; F141-I241 HydrophobicContact CZ-CD1 3.65Å; F141-I241 HydrophobicContact CZ-CG1 4.47Å; F141-R258 CarbonylContact C-O 3.57Å; F141-R258 VanDerWaalsContact CA-O 3.25Å; F141-R258 WeakPolarHBondContact CA-O 3.41Å; F141-V259 HydrophobicContact CD1-CG2 3.95Å; F141-V259 HydrophobicContact CE1-CG2 3.62Å
142E98.5Very high97.2Very high7 Ų747.7 Ų47.73%0.03326%0.264CS..EExtended strand (participates in β ladder)trans-94.2127.6160.8179.3177.3-165.800108.2H122 F124 F144 G257 R258 I260H122-E142 HydrophobicContact CB-CG 4.07Å; H122-E142 IonicContact CE1-OE1 3.49Å; H122-E142 IonicContact CG-OE1 2.95Å; H122-E142 IonicContact ND1-OE1 3.86Å; H122-E142 PolarHBondContact ND1-OE1 2.88Å; F124-E142 HydrophobicContact CD1-CB 3.95Å; F124-E142 HydrophobicContact CD1-CG 4.26Å; F124-E142 HydrophobicContact CE1-CB 3.57Å; F124-E142 HydrophobicContact CE1-CG 3.53Å; F124-E142 HydrophobicContact CZ-CB 4.49Å; F124-E142 HydrophobicContact CZ-CG 3.97Å; E142-F144 HydrophobicContact CG-CD1 4.23Å; E142-F144 HydrophobicContact CG-CE1 4.03Å; E142-G257 CarbonylContact O-C 3.6Å; E142-G257 WeakPolarHBondContact O-CA 3.29Å; E142-R258 HydrophobicContact CB-CG 4.2Å; E142-R258 PolarHBondContact N-O 3.04Å; E142-R258 PolarHBondContact O-N 3.16Å; E142-R258 IonicContact OE2-CZ 2.61Å; E142-R258 IonicContact OE2-NE 3.95Å; E142-R258 PolarHBondContact OE2-NE 3.37Å; E142-R258 IonicContact OE2-NH2 2.77Å; E142-R258 PolarHBondContact OE2-NH2 3.49Å; E142-I260 HydrophobicContact CB-CG2 3.68Å
143L98.7Very high97.5Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-102.9122.7175.9-49.8-176.2000108.6H122 K123 V125 F141 S145 F155 E156 L225 F256H122-L143 WeakPolarHBondContact CB-O 3.25Å; K123-L143 HydrophobicContact CB-CB 4.35Å; K123-L143 HydrophobicContact CB-CD1 4.44Å; K123-L143 PolarHBondContact N-O 3.42Å; K123-L143 PolarHBondContact O-N 3.17Å; V125-L143 HydrophobicContact CG1-CD1 3.99Å; V125-L143 HydrophobicContact CG2-CD1 4.04Å; V125-L143 HydrophobicContact CG2-CD2 4.06Å; V125-L143 HydrophobicContact CG2-CG 4.14Å; F141-L143 HydrophobicContact CB-CD2 4.25Å; L143-S145 PolarHBondContact O-N 3.27Å; L143-F155 HydrophobicContact CD1-CD1 4.21Å; L143-F155 HydrophobicContact CD2-CD1 3.9Å; L143-F155 HydrophobicContact CD2-CE1 4.41Å; L143-E156 HydrophobicContact CD1-CB 4.09Å; L143-L225 HydrophobicContact CD2-CD2 3.75Å; L143-F256 HydrophobicContact CD2-CD2 4.23Å; L143-F256 HydrophobicContact CD2-CE2 3.93Å
144F98.1Very high97.8Very high32 Ų3245.3 Ų45.314%0.1423%0.226CC..  trans-76.566.9180-55.4-39.8000110.2H122 E142 D146 V147 C148 I217 F256 R258H122-F144 AromaticContact CE1-CD1 3.84Å; H122-F144 AromaticContact ND1-CD1 3.84Å; E142-F144 HydrophobicContact CG-CD1 4.23Å; E142-F144 HydrophobicContact CG-CE1 4.03Å; F144-D146 VanDerWaalsContact C-OD1 3.3Å; F144-D146 PolarHBondContact O-N 2.98Å; F144-V147 PolarHBondContact O-N 3.38Å; F144-V147 VanDerWaalsContact O-N 3.15Å; F144-C148 PolarHBondContact O-N 3.29Å; F144-I217 HydrophobicContact CB-CD1 4Å; F144-I217 HydrophobicContact CD2-CD1 3.53Å; F144-I217 HydrophobicContact CD2-CG1 3.91Å; F144-I217 HydrophobicContact CD2-CG2 4.17Å; F144-I217 HydrophobicContact CE2-CD1 4.45Å; F144-I217 HydrophobicContact CE2-CG1 4.45Å; F144-I217 HydrophobicContact CE2-CG2 3.98Å; F144-I217 HydrophobicContact CG-CD1 4.21Å; F144-F256 PolarHBondContact N-O 3.46Å; F144-R258 HydrophobicContact CE1-CG 4.16Å; F144-R258 HydrophobicContact CZ-CB 4.12Å; F144-R258 HydrophobicContact CZ-CG 3.72Å
145S97.3Very high98Very high20 Ų2040.8 Ų40.814%0.1421%0.205CC..THydrogen-bonded Turntrans-70.3-12-17454.60000114L143 P149 S152L143-S145 PolarHBondContact O-N 3.27Å; S145-P149 WeakPolarHBondContact O-CA 3.3Å; S145-P149 VanDerWaalsContact O-CB 3.32Å; S145-P149 WeakPolarHBondContact O-CB 3.11Å; S145-S152 WeakPolarHBondContact CA-OG 3.4Å
146D97.1Very high98.1Very high108 Ų10835.6 Ų35.658%0.57818%0.177SC*.THydrogen-bonded Turntrans-76.2-36.8170.364.9-32.8000112.1H122 F144H122-D146 IonicContact CD2-OD1 2.63Å; H122-D146 IonicContact CE1-OD1 3.06Å; H122-D146 VanDerWaalsContact NE2-CG 3.29Å; H122-D146 IonicContact NE2-OD1 2.75Å; H122-D146 PolarHBondContact NE2-OD1 3.4Å; H122-D146 VanDerWaalsContact NE2-OD1 3.16Å; H122-D146 IonicContact NE2-OD2 2.92Å; F144-D146 VanDerWaalsContact C-OD1 3.3Å; F144-D146 PolarHBondContact O-N 2.98Å
147V97.4Very high98.2Very high51 Ų5132.1 Ų32.131%0.30915%0.154SC..THydrogen-bonded Turntrans-92.7-41.3-179.6-179.90000112.2F144 P149 A216 I217F144-V147 PolarHBondContact O-N 3.38Å; F144-V147 VanDerWaalsContact O-N 3.15Å; V147-P149 VanDerWaalsContact C-CD 3.44Å; V147-A216 HydrophobicContact CG1-CB 3.98Å; V147-I217 HydrophobicContact CB-CD1 4.1Å; V147-I217 HydrophobicContact CG1-CD1 3.8Å; V147-I217 HydrophobicContact CG1-CG1 4.25Å
148C98Very high98.3Very high0 Ų026.5 Ų26.50%013%0.133CC..  trans-127.162.1-176.7-62.60000111.2F144 K150 S152 E213 F256F144-C148 PolarHBondContact O-N 3.29Å; C148-K150 PolarHBondContact O-N 3.37Å; C148-S152 WeakPolarHBondContact O-CB 3.39Å; C148-S152 PolarHBondContact O-N 2.8Å; C148-S152 PolarHBondContact O-OG 3.26Å; C148-E213 VanDerWaalsContact C-OE2 3.22Å; C148-E213 WeakPolarHBondContact CA-OE2 3.45Å; C148-F256 HydrophobicContact CB-CB 3.77Å
149P98.3Very high98.4Very high65 Ų6521.6 Ų21.642%0.42211%0.114SC..Hα-helixtrans-57.6-44.7-176.419.8-31.5000113.6S145 V147 S152 E153 E213S145-P149 WeakPolarHBondContact O-CA 3.3Å; S145-P149 VanDerWaalsContact O-CB 3.32Å; S145-P149 WeakPolarHBondContact O-CB 3.11Å; V147-P149 VanDerWaalsContact C-CD 3.44Å; P149-S152 PolarHBondContact O-N 2.76Å; P149-E153 WeakPolarHBondContact O-CB 3.02Å; P149-E153 PolarHBondContact O-N 3.15Å; P149-E213 WeakPolarHBondContact CD-OE1 2.86Å; P149-E213 VanDerWaalsContact CG-OE1 3.3Å; P149-E213 WeakPolarHBondContact CG-OE1 3.36Å
150K98.6Very high98.4Very high71 Ų7123.6 Ų23.631%0.30913%0.126SC..Hα-helixtrans-69.5-42-175.9-172.4-179.5177.6-178.10111.6C148 N154 Y206 E213C148-K150 PolarHBondContact O-N 3.37Å; K150-N154 PolarHBondContact O-N 2.8Å; K150-Y206 HydrophobicContact CD-CE2 4.27Å; K150-Y206 HydrophobicContact CG-CD2 4.29Å; K150-Y206 HydrophobicContact CG-CE1 4.4Å; K150-Y206 HydrophobicContact CG-CE2 3.45Å; K150-Y206 VanDerWaalsContact CG-CE2 3.45Å; K150-Y206 WeakPolarHBondContact CG-OH 3.33Å; K150-Y206 WeakPolarHBondContact O-CE2 3.32Å; K150-Y206 PolarHBondContact O-OH 2.96Å; K150-E213 VanDerWaalsContact CB-OE1 3.28Å; K150-E213 WeakPolarHBondContact CB-OE1 3.33Å; K150-E213 PolarHBondContact N-OE1 3.35Å; K150-E213 PolarHBondContact N-OE2 3.43Å
151T98.7Very high98.4Very high0 Ų024.5 Ų24.50%014%0.136CC..Hα-helixtrans-67.3-42176.8-51.10000110.8N154 F155 F210 E213 M227 V254 F256T151-N154 WeakPolarHBondContact O-CB 3.46Å; T151-N154 PolarHBondContact O-N 3.47Å; T151-F155 PolarHBondContact O-N 2.64Å; T151-F210 HydrophobicContact CG2-CE2 4.37Å; T151-F210 HydrophobicContact CG2-CZ 4.14Å; T151-E213 VanDerWaalsContact CB-OE2 3.3Å; T151-E213 WeakPolarHBondContact CB-OE2 3.47Å; T151-E213 PolarHBondContact N-OE2 3.4Å; T151-E213 PolarHBondContact OG1-OE2 3.4Å; T151-M227 HydrophobicContact CG2-CG 3.53Å; T151-M227 HydrophobicContact CG2-SD 4.02Å; T151-V254 HydrophobicContact CG2-CG1 4.32Å; T151-F256 HydrophobicContact CG2-CB 3.76Å; T151-F256 HydrophobicContact CG2-CD1 3.49Å; T151-F256 VanDerWaalsContact CG2-CD1 3.49Å; T151-F256 HydrophobicContact CG2-CD2 4Å; T151-F256 HydrophobicContact CG2-CE1 4.05Å; T151-F256 HydrophobicContact CG2-CE2 4.49Å; T151-F256 HydrophobicContact CG2-CG 3.47Å; T151-F256 VanDerWaalsContact CG2-CG 3.47Å
152S98.7Very high98.3Very high0 Ų030.3 Ų30.30%016%0.163CC..Hα-helixtrans-63.8-44.5176.7-61.30000111.7S145 C148 P149 N154 F155 E156S145-S152 WeakPolarHBondContact CA-OG 3.4Å; C148-S152 WeakPolarHBondContact O-CB 3.39Å; C148-S152 PolarHBondContact O-N 2.8Å; C148-S152 PolarHBondContact O-OG 3.26Å; P149-S152 PolarHBondContact O-N 2.76Å; S152-N154 VanDerWaalsContact C-N 3.34Å; S152-N154 PolarHBondContact O-N 3.28Å; S152-F155 PolarHBondContact O-N 2.84Å; S152-E156 WeakPolarHBondContact O-CB 3.37Å; S152-E156 PolarHBondContact O-N 3.16Å
153E98.7Very high98.3Very high68 Ų6835.5 Ų35.532%0.31818%0.182SC..Hα-helixtrans-61.8-40.9175.6-177.7-179.6-179.900111.8P149 F155 E156 A157 R163 I205P149-E153 WeakPolarHBondContact O-CB 3.02Å; P149-E153 PolarHBondContact O-N 3.15Å; E153-F155 PolarHBondContact O-N 3.09Å; E153-E156 PolarHBondContact O-N 3.2Å; E153-A157 WeakPolarHBondContact O-CB 3.48Å; E153-A157 PolarHBondContact O-N 3.24Å; E153-R163 IonicContact OE1-NH2 2.79Å; E153-R163 PolarHBondContact OE1-NH2 3.19Å; E153-I205 HydrophobicContact CG-CD1 4.08Å
154N98.8Very high98.2Very high0 Ų037.2 Ų37.20%020%0.2CC..Hα-helixtrans-58.2-49.6174.217668000111.7K150 T151 S152 L158 S204 I205 Y206 F210 G236K150-N154 PolarHBondContact O-N 2.8Å; T151-N154 WeakPolarHBondContact O-CB 3.46Å; T151-N154 PolarHBondContact O-N 3.47Å; S152-N154 VanDerWaalsContact C-N 3.34Å; S152-N154 PolarHBondContact O-N 3.28Å; N154-L158 WeakPolarHBondContact O-CB 3.45Å; N154-L158 WeakPolarHBondContact O-CG 3.33Å; N154-L158 PolarHBondContact O-N 3.1Å; N154-S204 VanDerWaalsContact OD1-CA 3.29Å; N154-S204 WeakPolarHBondContact OD1-CA 3.08Å; N154-S204 VanDerWaalsContact OD1-CB 3.29Å; N154-S204 WeakPolarHBondContact OD1-CB 3.3Å; N154-I205 HydrophobicContact CB-CG1 4.2Å; N154-I205 PolarHBondContact OD1-N 3.46Å; N154-Y206 HydrophobicContact CB-CE2 3.87Å; N154-F210 HydrophobicContact CB-CE1 4.38Å; N154-F210 HydrophobicContact CB-CZ 4.37Å; N154-G236 PolarHBondContact ND2-O 3.45Å
155F98.8Very high98.2Very high0 Ų041.2 Ų41.20%022%0.222CC..Hα-helixtrans-65.8-43.8-178.2-167.1-90.8000112.2V125 L143 T151 S152 E153 L158 C159 Y174 L225 F239 F256V125-F155 HydrophobicContact CG2-CD1 3.88Å; V125-F155 HydrophobicContact CG2-CE1 3.72Å; L143-F155 HydrophobicContact CD1-CD1 4.21Å; L143-F155 HydrophobicContact CD2-CD1 3.9Å; L143-F155 HydrophobicContact CD2-CE1 4.41Å; T151-F155 PolarHBondContact O-N 2.64Å; S152-F155 PolarHBondContact O-N 2.84Å; E153-F155 PolarHBondContact O-N 3.09Å; F155-L158 PolarHBondContact O-N 3.3Å; F155-C159 PolarHBondContact O-N 2.82Å; F155-C159 PolarHBondContact O-SG 3.45Å; F155-C159 VanDerWaalsContact O-SG 3.36Å; F155-Y174 HydrophobicContact CD1-CE2 4.36Å; F155-Y174 AromaticContact CD2-CE2 3.7Å; F155-Y174 HydrophobicContact CD2-CE2 3.7Å; F155-Y174 AromaticContact CD2-CZ 3.8Å; F155-Y174 WeakPolarHBondContact CD2-OH 3.45Å; F155-Y174 HydrophobicContact CE1-CE2 4.29Å; F155-Y174 AromaticContact CE2-CE2 3.61Å; F155-Y174 HydrophobicContact CE2-CE2 3.61Å; F155-Y174 AromaticContact CE2-CZ 3.77Å; F155-Y174 WeakPolarHBondContact CE2-OH 3.26Å; F155-Y174 HydrophobicContact CG-CE2 4.09Å; F155-Y174 AromaticContact CZ-CE2 3.93Å; F155-Y174 HydrophobicContact CZ-CE2 3.93Å; F155-L225 HydrophobicContact CD1-CD2 4.41Å; F155-L225 HydrophobicContact CE1-CD2 4.09Å; F155-L225 HydrophobicContact CE2-CD1 4.17Å; F155-L225 HydrophobicContact CE2-CD2 4.34Å; F155-L225 HydrophobicContact CZ-CD1 4.19Å; F155-L225 HydrophobicContact CZ-CD2 4.05Å; F155-F239 HydrophobicContact CD2-CB 4.45Å; F155-F239 HydrophobicContact CE2-CB 3.89Å; F155-F239 AromaticContact CE2-CD1 3.56Å; F155-F239 HydrophobicContact CE2-CD1 3.56Å; F155-F239 HydrophobicContact CE2-CD2 4.16Å; F155-F239 HydrophobicContact CE2-CE1 4.06Å; F155-F239 AromaticContact CE2-CG 3.61Å; F155-F239 HydrophobicContact CE2-CG 3.61Å; F155-F239 HydrophobicContact CZ-CD1 4.29Å; F155-F239 HydrophobicContact CZ-CE1 4.39Å; F155-F239 HydrophobicContact CZ-CG 4.35Å; F155-F256 HydrophobicContact CB-CE2 3.57Å; F155-F256 HydrophobicContact CB-CZ 3.97Å; F155-F256 HydrophobicContact CD1-CE2 4.27Å; F155-F256 AromaticContact CD2-CE2 3.87Å; F155-F256 HydrophobicContact CD2-CE2 3.87Å; F155-F256 AromaticContact CD2-CZ 3.49Å; F155-F256 HydrophobicContact CD2-CZ 3.49Å; F155-F256 VanDerWaalsContact CD2-CZ 3.49Å; F155-F256 HydrophobicContact CE2-CZ 4.12Å; F155-F256 AromaticContact CG-CE2 3.64Å; F155-F256 HydrophobicContact CG-CE2 3.64Å; F155-F256 AromaticContact CG-CZ 3.79Å; F155-F256 HydrophobicContact CG-CZ 3.79Å
156E98.7Very high98.1Very high32 Ų3241.1 Ų41.115%0.1522%0.221CC..Hα-helixtrans-62.1-47.9177.4180-170-172.700112.3K123 V125 L143 S152 E153 L158 C159 T160 V290K123-E156 WeakPolarHBondContact CD-OE2 3.09Å; K123-E156 WeakPolarHBondContact CE-OE2 3.35Å; K123-E156 IonicContact NZ-OE1 3.98Å; K123-E156 IonicContact NZ-OE2 3.59Å; K123-E156 PolarHBondContact NZ-OE2 2.73Å; V125-E156 HydrophobicContact CG1-CB 4.14Å; V125-E156 HydrophobicContact CG1-CG 3.99Å; L143-E156 HydrophobicContact CD1-CB 4.09Å; S152-E156 WeakPolarHBondContact O-CB 3.37Å; S152-E156 PolarHBondContact O-N 3.16Å; E153-E156 PolarHBondContact O-N 3.2Å; E156-L158 VanDerWaalsContact C-N 3.26Å; E156-L158 PolarHBondContact O-N 3.02Å; E156-C159 CarbonylContact O-C 3.49Å; E156-C159 WeakPolarHBondContact O-CA 3.21Å; E156-C159 VanDerWaalsContact O-CB 3.26Å; E156-C159 WeakPolarHBondContact O-CB 3.46Å; E156-C159 PolarHBondContact O-N 2.91Å; E156-T160 PolarHBondContact O-N 3.14Å; E156-V290 HydrophobicContact CG-CG2 4.04Å
157A98.7Very high98Very high0 Ų045.4 Ų45.40%024%0.238CC..Hα-helixtrans-63.6-34.1178.900000112.1E153 C159 T160 G161 E162 R163 I205E153-A157 WeakPolarHBondContact O-CB 3.48Å; E153-A157 PolarHBondContact O-N 3.24Å; A157-C159 VanDerWaalsContact C-N 3.33Å; A157-T160 PolarHBondContact O-N 3.33Å; A157-T160 PolarHBondContact O-OG1 2.89Å; A157-G161 WeakPolarHBondContact O-CA 3.15Å; A157-G161 PolarHBondContact O-N 3.33Å; A157-E162 HydrophobicContact CB-CG 4.34Å; A157-R163 HydrophobicContact CB-CG 3.83Å; A157-I205 HydrophobicContact CB-CD1 3.88Å; A157-I205 HydrophobicContact CB-CG2 3.82Å
158L98.8Very high97.7Very high0 Ų046.7 Ų46.70%025%0.25CC..Hα-helixtrans-70.7-27.2170.5-70.1171.7000112.2N154 F155 E156 L172 H173 Y174 I193 I205N154-L158 WeakPolarHBondContact O-CB 3.45Å; N154-L158 WeakPolarHBondContact O-CG 3.33Å; N154-L158 PolarHBondContact O-N 3.1Å; F155-L158 PolarHBondContact O-N 3.3Å; E156-L158 VanDerWaalsContact C-N 3.26Å; E156-L158 PolarHBondContact O-N 3.02Å; L158-L172 HydrophobicContact CD2-CB 3.91Å; L158-L172 HydrophobicContact CD2-CD2 4.07Å; L158-H173 CarbonylContact O-C 3.46Å; L158-H173 VanDerWaalsContact O-CA 3.31Å; L158-H173 WeakPolarHBondContact O-CA 3.3Å; L158-H173 PolarHBondContact O-CD2 2.82Å; L158-Y174 HydrophobicContact CB-CD1 4.43Å; L158-Y174 HydrophobicContact CB-CD2 3.71Å; L158-Y174 HydrophobicContact CB-CE1 4.14Å; L158-Y174 HydrophobicContact CB-CE2 3.4Å; L158-Y174 HydrophobicContact CB-CG 4.21Å; L158-Y174 HydrophobicContact CD1-CE1 4.09Å; L158-Y174 HydrophobicContact CD1-CE2 4.32Å; L158-Y174 WeakPolarHBondContact CD1-OH 3.43Å; L158-Y174 PolarHBondContact O-N 3.46Å; L158-I193 HydrophobicContact CD2-CD1 3.79Å; L158-I205 HydrophobicContact CD2-CG2 4.25Å; L158-I205 HydrophobicContact CG-CG2 4.09Å
159C98.8Very high97.5Very high0 Ų048.8 Ų48.80%027%0.271CS..Hα-helixtrans-71.2-38.6169.7-72.50000112.2V125 F155 E156 A157 H173 C288 G289V125-C159 HydrophobicContact CB-CB 4.32Å; V125-C159 HydrophobicContact CG1-CB 4.38Å; F155-C159 PolarHBondContact O-N 2.82Å; F155-C159 PolarHBondContact O-SG 3.45Å; F155-C159 VanDerWaalsContact O-SG 3.36Å; E156-C159 CarbonylContact O-C 3.49Å; E156-C159 WeakPolarHBondContact O-CA 3.21Å; E156-C159 VanDerWaalsContact O-CB 3.26Å; E156-C159 WeakPolarHBondContact O-CB 3.46Å; E156-C159 PolarHBondContact O-N 2.91Å; A157-C159 VanDerWaalsContact C-N 3.33Å; C159-H173 PolarHBondContact O-NE2 2.65Å; C159-C288 HydrophobicContact CB-CB 4.41Å; C159-C288 CarbonylContact O-C 3.53Å; C159-C288 VanDerWaalsContact O-C 3.24Å; C159-C288 PolarHBondContact O-SG 3.24Å; C159-G289 WeakPolarHBondContact O-CA 3.44Å; C159-G289 PolarHBondContact O-N 3.04Å
160T98.4Very high97.3Very high42 Ų4246.3 Ų46.326%0.25825%0.254SS..Hα-helixtrans-84.4-29-177.662.50000113.5E156 A157 E162 V290E156-T160 PolarHBondContact O-N 3.14Å; A157-T160 PolarHBondContact O-N 3.33Å; A157-T160 PolarHBondContact O-OG1 2.89Å; T160-E162 PolarHBondContact O-N 2.9Å; T160-E162 WeakPolarHBondContact OG1-CB 3.47Å; T160-E162 VanDerWaalsContact OG1-CG 3.28Å; T160-E162 WeakPolarHBondContact OG1-CG 3.25Å; T160-E162 PolarHBondContact OG1-N 3.01Å; T160-E162 PolarHBondContact OG1-OE2 3.39Å; T160-V290 HydrophobicContact CG2-CG2 3.66Å
161G98.1Very high97.2Very high19 Ų1946 Ų4620%0.19626%0.259CS..THydrogen-bonded Turntrans72.811.7-171.600000114A157 R163 G164 L172A157-G161 WeakPolarHBondContact O-CA 3.15Å; A157-G161 PolarHBondContact O-N 3.33Å; G161-R163 PolarHBondContact O-N 2.85Å; G161-R163 VanDerWaalsContact O-N 3.16Å; G161-G164 PolarHBondContact O-N 2.59Å; G161-G164 VanDerWaalsContact O-N 3.15Å; G161-L172 WeakPolarHBondContact CA-O 3.48Å
162E97.8Very high97.2Very high121 Ų12146.2 Ų46.257%0.56526%0.26SS*.THydrogen-bonded Turntrans-64.2-22.2-17370.6-171.4-153.700113.8A157 T160 G164A157-E162 HydrophobicContact CB-CG 4.34Å; T160-E162 PolarHBondContact O-N 2.9Å; T160-E162 WeakPolarHBondContact OG1-CB 3.47Å; T160-E162 VanDerWaalsContact OG1-CG 3.28Å; T160-E162 WeakPolarHBondContact OG1-CG 3.25Å; T160-E162 PolarHBondContact OG1-N 3.01Å; T160-E162 PolarHBondContact OG1-OE2 3.39Å; E162-G164 VanDerWaalsContact C-N 3.28Å; E162-G164 PolarHBondContact O-N 2.94Å
163R97.7Very high97.2Very high116 Ų11648.9 Ų48.944%0.43827%0.273SS..THydrogen-bonded Turntrans-82.2-4.4-179.5-60.6-64.4-173.5148.74.5113.3E153 A157 G161 L165 L172 I205E153-R163 IonicContact OE1-NH2 2.79Å; E153-R163 PolarHBondContact OE1-NH2 3.19Å; A157-R163 HydrophobicContact CB-CG 3.83Å; G161-R163 PolarHBondContact O-N 2.85Å; G161-R163 VanDerWaalsContact O-N 3.16Å; R163-L165 PolarHBondContact O-N 3.03Å; R163-L172 HydrophobicContact CB-CB 4.36Å; R163-L172 HydrophobicContact CB-CD1 3.86Å; R163-I205 HydrophobicContact CB-CG2 4.38Å; R163-I205 HydrophobicContact CG-CB 4.17Å; R163-I205 HydrophobicContact CG-CG2 4.01Å
164G97.3Very high97.2Very high37 Ų3745.7 Ų45.738%0.38126%0.258SS..  trans68.4-117.8173.500000113.1G161 E162 L172G161-G164 PolarHBondContact O-N 2.59Å; G161-G164 VanDerWaalsContact O-N 3.15Å; E162-G164 VanDerWaalsContact C-N 3.28Å; E162-G164 PolarHBondContact O-N 2.94Å; G164-L172 PolarHBondContact O-N 3.37Å
165L97.7Very high97.1Very high115 Ų11551.9 Ų51.960%0.60229%0.285SS*.BIsolated β-bridgetrans-106.8143.7-179.2-56.4-179.3000110.2R163 L170 P171R163-L165 PolarHBondContact O-N 3.03Å; L165-L170 CarbonylContact C-O 3.51Å; L165-L170 VanDerWaalsContact CA-O 3.31Å; L165-L170 WeakPolarHBondContact CA-O 3.25Å; L165-P171 HydrophobicContact CD2-CB 4.1Å; L165-P171 HydrophobicContact CD2-CG 3.85Å
166S96.1Very high97Very high18 Ų1854 Ų5413%0.12631%0.306CS..  trans-71.5174.2167.680.60000111.6S168 G169 L170 E203S166-S168 PolarHBondContact O-N 3.06Å; S166-S168 PolarHBondContact OG-N 2.81Å; S166-S168 PolarHBondContact OG-OG 3.45Å; S166-G169 WeakPolarHBondContact O-CA 3.29Å; S166-G169 PolarHBondContact O-N 3Å; S166-L170 PolarHBondContact N-O 2.84Å; S166-L170 WeakPolarHBondContact OG-CB 3.44Å; S166-L170 PolarHBondContact OG-N 2.89Å; S166-E203 WeakPolarHBondContact CB-OE2 3.28Å; S166-E203 PolarHBondContact OG-OE2 2.81Å
167E93Very high96.9Very high199 Ų19952.8 Ų52.893%0.9330%0.301SS*.THydrogen-bonded Turntrans-59.2-28.5175.2-63.9-174.1168.300113.1G169E167-G169 PolarHBondContact O-N 2.98Å
168S91.9Very high96.8Very high78 Ų7855 Ų5555%0.54531%0.313SS..THydrogen-bonded Turntrans-81.60.3175.970.10000113.1S166 L170 E203S166-S168 PolarHBondContact O-N 3.06Å; S166-S168 PolarHBondContact OG-N 2.81Å; S166-S168 PolarHBondContact OG-OG 3.45Å; S168-L170 VanDerWaalsContact C-N 3.35Å; S168-E203 WeakPolarHBondContact CB-OE1 3.44Å; S168-E203 PolarHBondContact OG-OE1 3.48Å; S168-E203 PolarHBondContact OG-OE2 3.43Å; S168-E203 VanDerWaalsContact OG-OE2 3.06Å
169G94.3Very high96.8Very high43 Ų4355.1 Ų55.144%0.44331%0.313SS..SBendtrans81.912.1-176.400000113.7S166 E167S166-G169 WeakPolarHBondContact O-CA 3.29Å; S166-G169 PolarHBondContact O-N 3Å; E167-G169 PolarHBondContact O-N 2.98Å
170L94.3Very high96.7Very high13 Ų1355.8 Ų55.87%0.06832%0.316CS..  trans-78.7128.7-178.7-17764.1000111.1L165 S166 S168 L172 I193 E203L165-L170 CarbonylContact C-O 3.51Å; L165-L170 VanDerWaalsContact CA-O 3.31Å; L165-L170 WeakPolarHBondContact CA-O 3.25Å; S166-L170 PolarHBondContact N-O 2.84Å; S166-L170 WeakPolarHBondContact OG-CB 3.44Å; S166-L170 PolarHBondContact OG-N 2.89Å; S168-L170 VanDerWaalsContact C-N 3.35Å; L170-L172 PolarHBondContact O-N 2.89Å; L170-I193 HydrophobicContact CD2-CD1 3.99Å; L170-I193 HydrophobicContact CD2-CG1 3.78Å; L170-I193 HydrophobicContact CG-CD1 4.36Å; L170-I193 HydrophobicContact CG-CG1 4.24Å; L170-E203 HydrophobicContact CD2-CB 4.03Å; L170-E203 HydrophobicContact CD2-CG 3.8Å
171P96.6Very high96.6Very high64 Ų6457.8 Ų57.842%0.41632%0.319SS..BIsolated β-bridgetrans-62.6117.7172.2-22.334.1000111.7L165 H173L165-P171 HydrophobicContact CD2-CB 4.1Å; L165-P171 HydrophobicContact CD2-CG 3.85Å; P171-H173 PolarHBondContact O-N 2.91Å
172L98.1Very high96.6Very high5 Ų556.9 Ų56.93%0.02631%0.31CS..  trans-81.167.1179.3-68.8173.8000110.6L158 G161 R163 G164 L170 I193 I205L158-L172 HydrophobicContact CD2-CB 3.91Å; L158-L172 HydrophobicContact CD2-CD2 4.07Å; G161-L172 WeakPolarHBondContact CA-O 3.48Å; R163-L172 HydrophobicContact CB-CB 4.36Å; R163-L172 HydrophobicContact CB-CD1 3.86Å; G164-L172 PolarHBondContact O-N 3.37Å; L170-L172 PolarHBondContact O-N 2.89Å; L172-I193 HydrophobicContact CD2-CD1 4.03Å; L172-I205 HydrophobicContact CD1-CG2 4.43Å
173H98.5Very high96.5Very high57 Ų5752.2 Ų52.226%0.26429%0.29SS..  trans-152.6133.3-174.8-164.4180000112.4L158 C159 P171 K175 I193 C288L158-H173 CarbonylContact O-C 3.46Å; L158-H173 VanDerWaalsContact O-CA 3.31Å; L158-H173 WeakPolarHBondContact O-CA 3.3Å; L158-H173 PolarHBondContact O-CD2 2.82Å; C159-H173 PolarHBondContact O-NE2 2.65Å; P171-H173 PolarHBondContact O-N 2.91Å; H173-K175 VanDerWaalsContact C-N 3.32Å; H173-K175 PolarHBondContact O-N 3.43Å; H173-I193 WeakPolarHBondContact O-CG2 3.17Å; H173-C288 VanDerWaalsContact CD2-SG 3.56Å; H173-C288 PolarHBondContact NE2-SG 3.16Å; H173-C288 VanDerWaalsContact NE2-SG 3.37Å
174Y98.5Very high96.2Very high0 Ų050 Ų500%029%0.29CS..  trans-72.6-19.9177.2-72.5-46.9000114.3L127 F155 L158 G176 S177 I193 S237 F239 V285L127-Y174 HydrophobicContact CD2-CD2 4.31Å; F155-Y174 HydrophobicContact CD1-CE2 4.36Å; F155-Y174 AromaticContact CD2-CE2 3.7Å; F155-Y174 HydrophobicContact CD2-CE2 3.7Å; F155-Y174 AromaticContact CD2-CZ 3.8Å; F155-Y174 WeakPolarHBondContact CD2-OH 3.45Å; F155-Y174 HydrophobicContact CE1-CE2 4.29Å; F155-Y174 AromaticContact CE2-CE2 3.61Å; F155-Y174 HydrophobicContact CE2-CE2 3.61Å; F155-Y174 AromaticContact CE2-CZ 3.77Å; F155-Y174 WeakPolarHBondContact CE2-OH 3.26Å; F155-Y174 HydrophobicContact CG-CE2 4.09Å; F155-Y174 AromaticContact CZ-CE2 3.93Å; F155-Y174 HydrophobicContact CZ-CE2 3.93Å; L158-Y174 HydrophobicContact CB-CD1 4.43Å; L158-Y174 HydrophobicContact CB-CD2 3.71Å; L158-Y174 HydrophobicContact CB-CE1 4.14Å; L158-Y174 HydrophobicContact CB-CE2 3.4Å; L158-Y174 HydrophobicContact CB-CG 4.21Å; L158-Y174 HydrophobicContact CD1-CE1 4.09Å; L158-Y174 HydrophobicContact CD1-CE2 4.32Å; L158-Y174 WeakPolarHBondContact CD1-OH 3.43Å; L158-Y174 PolarHBondContact O-N 3.46Å; Y174-G176 PolarHBondContact O-N 3.44Å; Y174-G176 VanDerWaalsContact O-N 3.16Å; Y174-S177 VanDerWaalsContact O-CB 3.25Å; Y174-S177 WeakPolarHBondContact O-CB 3.05Å; Y174-S177 PolarHBondContact O-N 2.74Å; Y174-S177 PolarHBondContact O-OG 2.72Å; Y174-I193 HydrophobicContact CD1-CG2 3.69Å; Y174-I193 HydrophobicContact CE1-CG2 4.11Å; Y174-S237 VanDerWaalsContact CE1-O 3.27Å; Y174-S237 WeakPolarHBondContact CE1-O 3.28Å; Y174-S237 PolarHBondContact OH-O 2.93Å; Y174-F239 HydrophobicContact CD1-CE1 4.31Å; Y174-F239 HydrophobicContact CE1-CD1 4Å; Y174-F239 HydrophobicContact CE1-CE1 4.02Å; Y174-F239 AromaticContact CZ-CD1 3.96Å; Y174-V285 WeakPolarHBondContact O-CB 3.38Å
175K97.8Very high95.7Very high131 Ų13153.2 Ų53.257%0.5730%0.299SS*.THydrogen-bonded Turntrans-58122.3178.4-177.2177.6-179.4177.60110.3H173 S286 C288H173-K175 VanDerWaalsContact C-N 3.32Å; H173-K175 PolarHBondContact O-N 3.43Å; K175-S286 WeakPolarHBondContact CE-O 3.32Å; K175-C288 PolarHBondContact N-SG 3.18Å; K175-C288 VanDerWaalsContact N-SG 3.38Å
176G95.8Very high95.6Very high43 Ų4348.2 Ų48.244%0.44328%0.275SS..THydrogen-bonded Turntrans93.7-16-176.900000114.5Y174 V285Y174-G176 PolarHBondContact O-N 3.44Å; Y174-G176 VanDerWaalsContact O-N 3.16Å; G176-V285 WeakPolarHBondContact CA-O 3.49Å; G176-V285 PolarHBondContact N-O 3.3Å
177S97.1Very high95.6Very high8 Ų849.1 Ų49.16%0.05628%0.275CS..  trans-67.7156.2177.172.20000112.1Y174 R284 V285Y174-S177 VanDerWaalsContact O-CB 3.25Å; Y174-S177 WeakPolarHBondContact O-CB 3.05Å; Y174-S177 PolarHBondContact O-N 2.74Å; Y174-S177 PolarHBondContact O-OG 2.72Å; S177-R284 WeakPolarHBondContact O-CA 3.35Å; S177-V285 PolarHBondContact O-N 3.22Å
178L97.1Very high95.9Very high46 Ų4639.7 Ų39.724%0.24123%0.231CC..BIsolated β-bridgetrans-107.2145.7-175.2-57.8-178.2000111.9H180 G190 E282 C283 R284L178-H180 VanDerWaalsContact C-N 3.34Å; L178-H180 PolarHBondContact O-N 2.78Å; L178-H180 VanDerWaalsContact O-N 3.14Å; L178-H180 PolarHBondContact O-ND1 2.82Å; L178-G190 VanDerWaalsContact O-CA 3.28Å; L178-G190 WeakPolarHBondContact O-CA 3.4Å; L178-E282 HydrophobicContact CD2-CG 3.69Å; L178-C283 CarbonylContact C-O 3.58Å; L178-C283 WeakPolarHBondContact CA-O 3.45Å; L178-R284 HydrophobicContact CD2-CB 3.67Å; L178-R284 HydrophobicContact CD2-CG 4.1Å
179F97.6Very high96.2Very high3 Ų336.9 Ų36.91%0.01321%0.209CC..  trans-74.393.3153.2-67.5-89.6000107.5L127 V129 V188 Q189 F239 I241 L269 P279 C283 V285L127-F179 HydrophobicContact CD1-CZ 4.4Å; V129-F179 HydrophobicContact CB-CE2 4.43Å; V129-F179 HydrophobicContact CG1-CD2 4.04Å; V129-F179 HydrophobicContact CG1-CE2 3.71Å; V129-F179 HydrophobicContact CG2-CE2 3.76Å; V129-F179 HydrophobicContact CG2-CZ 4.25Å; F179-V188 HydrophobicContact CD1-CB 4.42Å; F179-V188 HydrophobicContact CD1-CG2 4.3Å; F179-V188 HydrophobicContact CE1-CG2 4.33Å; F179-Q189 CarbonylContact C-O 3.53Å; F179-Q189 VanDerWaalsContact CA-O 3.28Å; F179-Q189 WeakPolarHBondContact CA-O 3.26Å; F179-F239 AromaticContact CE1-CE2 3.87Å; F179-F239 HydrophobicContact CE1-CE2 3.87Å; F179-F239 AromaticContact CE1-CZ 3.96Å; F179-F239 HydrophobicContact CE1-CZ 3.96Å; F179-F239 HydrophobicContact CZ-CE2 4.31Å; F179-F239 HydrophobicContact CZ-CZ 4.08Å; F179-I241 HydrophobicContact CE1-CD1 4.31Å; F179-L269 HydrophobicContact CB-CD2 4.26Å; F179-L269 HydrophobicContact CD1-CD1 4.24Å; F179-L269 HydrophobicContact CD2-CD1 4.37Å; F179-L269 HydrophobicContact CD2-CD2 4.1Å; F179-L269 HydrophobicContact CE1-CD1 4.1Å; F179-L269 HydrophobicContact CE2-CD1 4.25Å; F179-L269 HydrophobicContact CG-CD1 4.36Å; F179-L269 HydrophobicContact CG-CD2 4.09Å; F179-L269 HydrophobicContact CZ-CD1 4.11Å; F179-P279 WeakPolarHBondContact O-CG 3.28Å; F179-C283 HydrophobicContact CB-CB 3.86Å; F179-C283 HydrophobicContact CD2-CB 4.4Å; F179-C283 PolarHBondContact N-O 3.26Å; F179-V285 HydrophobicContact CE2-CG2 4.03Å
180H96.8Very high96.4Very high14 Ų1434.8 Ų34.87%0.06519%0.188CC..  trans-90.9-13.3-169.356.7-94000113L178 Q189 G199 Q238 P279L178-H180 VanDerWaalsContact C-N 3.34Å; L178-H180 PolarHBondContact O-N 2.78Å; L178-H180 VanDerWaalsContact O-N 3.14Å; L178-H180 PolarHBondContact O-ND1 2.82Å; H180-Q189 PolarHBondContact N-O 3.15Å; H180-Q189 VanDerWaalsContact N-O 3.09Å; H180-G199 WeakPolarHBondContact CD2-CA 3.29Å; H180-G199 WeakPolarHBondContact NE2-CA 3.3Å; H180-Q238 PolarHBondContact CE1-OE1 3.09Å; H180-Q238 PolarHBondContact NE2-OE1 3.49Å; H180-P279 WeakPolarHBondContact O-CD 3.24Å
181R97.6Very high96.5Very high83 Ų8334.2 Ų34.231%0.31319%0.185SC..EExtended strand (participates in β ladder)trans-142.2130.1-179.8-176.1-177.4-174.6-156.10.4111.1V183 Q189 E277R181-V183 HydrophobicContact CG-CG2 4.38Å; R181-Q189 HydrophobicContact CB-CB 4.2Å; R181-Q189 PolarHBondContact N-O 2.99Å; R181-Q189 PolarHBondContact O-N 3.39Å; R181-E277 CarbonylContact C-O 3.5Å; R181-E277 WeakPolarHBondContact CA-O 3.39Å; R181-E277 HydrophobicContact CG-CB 3.96Å; R181-E277 IonicContact CZ-OE2 3.72Å; R181-E277 IonicContact NE-OE2 2.77Å; R181-E277 PolarHBondContact NE-OE2 2.99Å; R181-E277 IonicContact NH2-OE1 3.61Å; R181-E277 IonicContact NH2-OE2 3.7Å; R181-E277 PolarHBondContact NH2-OE2 3.21Å
182I97.6Very high96.6Very high0 Ų031.2 Ų31.20%017%0.166CC..EExtended strand (participates in β ladder)trans-132.8115.9179.9-62.6-175.4000107.1P184 V188 L269 T274 E277 P279I182-P184 WeakPolarHBondContact O-CD 3.41Å; I182-V188 HydrophobicContact CB-CG1 4.35Å; I182-V188 HydrophobicContact CD1-CG1 4.33Å; I182-V188 HydrophobicContact CG1-CB 4.28Å; I182-V188 HydrophobicContact CG1-CG1 3.95Å; I182-V188 HydrophobicContact CG2-CG1 3.96Å; I182-L269 HydrophobicContact CD1-CB 4.37Å; I182-L269 HydrophobicContact CD1-CD2 4.42Å; I182-L269 WeakPolarHBondContact CD1-O 3.4Å; I182-T274 HydrophobicContact CB-CG2 3.89Å; I182-T274 HydrophobicContact CG2-CG2 4.18Å; I182-E277 PolarHBondContact N-O 3.13Å; I182-E277 WeakPolarHBondContact O-CA 3.4Å; I182-P279 HydrophobicContact CB-CG 4.33Å; I182-P279 HydrophobicContact CD1-CB 4.37Å; I182-P279 HydrophobicContact CD1-CG 3.46Å; I182-P279 VanDerWaalsContact CD1-CG 3.46Å; I182-P279 HydrophobicContact CG1-CG 3.65Å
183V96.1Very high96.5Very high23 Ų2331.7 Ų31.714%0.13917%0.168CC..  trans-105.6104175.7-175.40000106.8R181 N185 G186 W187 E277R181-V183 HydrophobicContact CG-CG2 4.38Å; V183-N185 PolarHBondContact O-N 2.92Å; V183-G186 CarbonylContact O-C 3.59Å; V183-G186 VanDerWaalsContact O-CA 3.29Å; V183-G186 WeakPolarHBondContact O-CA 3.38Å; V183-G186 PolarHBondContact O-N 2.96Å; V183-W187 HydrophobicContact CB-CD2 4.39Å; V183-W187 HydrophobicContact CB-CE3 4.46Å; V183-W187 HydrophobicContact CG1-CZ3 4.46Å; V183-W187 HydrophobicContact CG2-CD2 4.32Å; V183-W187 HydrophobicContact CG2-CH2 4.3Å; V183-W187 HydrophobicContact CG2-CZ2 3.95Å; V183-W187 PolarHBondContact N-O 3.18Å; V183-W187 PolarHBondContact O-N 3.41Å; V183-E277 HydrophobicContact CG2-CB 4.42Å; V183-E277 HydrophobicContact CG2-CG 4.17Å
184P90.1Very high96.3Very high69 Ų6930.6 Ų30.645%0.44817%0.167SC..THydrogen-bonded Turntrans-56.8136.9179.3-25.335000111.3I182 G186I182-P184 WeakPolarHBondContact O-CD 3.41Å; P184-G186 PolarHBondContact O-N 2.77Å
185N87.6Confident95.7Very high106 Ų10635.3 Ų35.357%0.56720%0.197SC*.THydrogen-bonded Turntrans55.523.2-169.9-45.8-67.1000113.3V183 Q244V183-N185 PolarHBondContact O-N 2.92Å; N185-Q244 VanDerWaalsContact O-CG 3.27Å; N185-Q244 WeakPolarHBondContact O-CG 3.26Å; N185-Q244 PolarHBondContact O-NE2 2.93Å
186G94.8Very high94.9Very high9 Ų936.8 Ų36.89%0.09321%0.212CC..SBendtrans-125.3-95.5176.500000108.6V183 P184 L243V183-G186 CarbonylContact O-C 3.59Å; V183-G186 VanDerWaalsContact O-CA 3.29Å; V183-G186 WeakPolarHBondContact O-CA 3.38Å; V183-G186 PolarHBondContact O-N 2.96Å; P184-G186 PolarHBondContact O-N 2.77Å; G186-L243 PolarHBondContact O-N 3.16Å
187W97.6Very high94.2Very high38 Ų3835.4 Ų35.414%0.14420%0.195CC..EExtended strand (participates in β ladder)trans-150.8161.1-179.56294.5000110.4V183 Y240 I241 W248V183-W187 HydrophobicContact CB-CD2 4.39Å; V183-W187 HydrophobicContact CB-CE3 4.46Å; V183-W187 HydrophobicContact CG1-CZ3 4.46Å; V183-W187 HydrophobicContact CG2-CD2 4.32Å; V183-W187 HydrophobicContact CG2-CH2 4.3Å; V183-W187 HydrophobicContact CG2-CZ2 3.95Å; V183-W187 PolarHBondContact N-O 3.18Å; V183-W187 PolarHBondContact O-N 3.41Å; W187-Y240 HydrophobicContact CB-CD2 4.49Å; W187-I241 CarbonylContact C-O 3.58Å; W187-I241 WeakPolarHBondContact CA-O 3.43Å; W187-I241 WeakPolarHBondContact CB-O 3.37Å; W187-W248 HydrophobicContact CE3-CZ2 4.32Å; W187-W248 HydrophobicContact CH2-CH2 4.03Å; W187-W248 HydrophobicContact CH2-CZ2 4.43Å; W187-W248 AromaticContact CZ3-CH2 3.69Å; W187-W248 HydrophobicContact CZ3-CH2 3.69Å; W187-W248 AromaticContact CZ3-CZ2 3.66Å; W187-W248 HydrophobicContact CZ3-CZ2 3.66Å
188V98.2Very high93.4Very high0 Ų043.7 Ų43.70%023%0.225CC..EExtended strand (participates in β ladder)trans-102.9139.9161.5-59.30000108.8F179 I182 Y240 I241 L243 L266 L269F179-V188 HydrophobicContact CD1-CB 4.42Å; F179-V188 HydrophobicContact CD1-CG2 4.3Å; F179-V188 HydrophobicContact CE1-CG2 4.33Å; I182-V188 HydrophobicContact CB-CG1 4.35Å; I182-V188 HydrophobicContact CD1-CG1 4.33Å; I182-V188 HydrophobicContact CG1-CB 4.28Å; I182-V188 HydrophobicContact CG1-CG1 3.95Å; I182-V188 HydrophobicContact CG2-CG1 3.96Å; V188-Y240 CarbonylContact O-C 3.54Å; V188-Y240 WeakPolarHBondContact O-CA 3.43Å; V188-I241 HydrophobicContact CG2-CB 3.82Å; V188-I241 HydrophobicContact CG2-CD1 4.2Å; V188-I241 HydrophobicContact CG2-CG1 4.36Å; V188-I241 PolarHBondContact N-O 2.8Å; V188-I241 PolarHBondContact O-N 3.14Å; V188-L243 HydrophobicContact CG1-CD1 3.93Å; V188-L243 HydrophobicContact CG1-CD2 4.22Å; V188-L243 HydrophobicContact CG1-CG 4.3Å; V188-L266 HydrophobicContact CG2-CD1 3.72Å; V188-L269 HydrophobicContact CG1-CB 4.06Å; V188-L269 HydrophobicContact CG2-CD1 4.38Å
189Q98.4Very high93Very high19 Ų1942.4 Ų42.49%0.08922%0.223CC..EExtended strand (participates in β ladder)trans-127.8134.5-175.3175.6178.1-13.400110.2F179 H180 R181 A228 F239F179-Q189 CarbonylContact C-O 3.53Å; F179-Q189 VanDerWaalsContact CA-O 3.28Å; F179-Q189 WeakPolarHBondContact CA-O 3.26Å; H180-Q189 PolarHBondContact N-O 3.15Å; H180-Q189 VanDerWaalsContact N-O 3.09Å; R181-Q189 HydrophobicContact CB-CB 4.2Å; R181-Q189 PolarHBondContact N-O 2.99Å; R181-Q189 PolarHBondContact O-N 3.39Å; Q189-A228 HydrophobicContact CG-CB 4.35Å; Q189-F239 VanDerWaalsContact CA-O 3.3Å; Q189-F239 WeakPolarHBondContact CA-O 3.42Å; Q189-F239 WeakPolarHBondContact CG-O 3.44Å
190G98.1Very high92.7Very high0 Ų047.5 Ų47.50%025%0.251CS..EExtended strand (participates in β ladder)trans-147.8-161.3179.500000111.4L178 D192 Q238 F239L178-G190 VanDerWaalsContact O-CA 3.28Å; L178-G190 WeakPolarHBondContact O-CA 3.4Å; G190-D192 PolarHBondContact O-N 3.46Å; G190-Q238 WeakPolarHBondContact O-CA 3.29Å; G190-F239 PolarHBondContact N-O 3.23Å; G190-F239 PolarHBondContact O-N 3.05Å
191G97.3Very high92.5Very high0 Ų048 Ų480%026%0.259CS..  trans79.713.9172.700000115.2I193 S237 Q238G191-I193 PolarHBondContact O-N 3.13Å; G191-S237 CarbonylContact O-C 3.48Å; G191-S237 WeakPolarHBondContact O-CB 3.46Å; G191-S237 VanDerWaalsContact O-O 3.09Å; G191-S237 PolarHBondContact O-OG 2.9Å; G191-Q238 PolarHBondContact O-N 2.85Å
192D97.5Very high92.4Very high2 Ų244.8 Ų44.81%0.01125%0.252CS..BIsolated β-bridgetrans-78106.2162.2-174.7-12.9000108.2G190 S194 S197 G199 D200 G201 G202 Q238G190-D192 PolarHBondContact O-N 3.46Å; D192-S194 VanDerWaalsContact C-N 3.32Å; D192-S194 WeakPolarHBondContact OD1-CB 3.44Å; D192-S194 PolarHBondContact OD1-N 2.89Å; D192-S197 WeakPolarHBondContact CB-OG 3.45Å; D192-S197 WeakPolarHBondContact OD1-CB 3.16Å; D192-S197 PolarHBondContact OD1-OG 3.03Å; D192-S197 VanDerWaalsContact OD2-CB 3.3Å; D192-S197 WeakPolarHBondContact OD2-CB 3.49Å; D192-S197 PolarHBondContact OD2-OG 3.36Å; D192-G199 VanDerWaalsContact OD2-C 3.29Å; D192-G199 VanDerWaalsContact OD2-CA 3.22Å; D192-G199 WeakPolarHBondContact OD2-CA 3.32Å; D192-G199 PolarHBondContact OD2-N 3Å; D192-G199 VanDerWaalsContact OD2-N 3.15Å; D192-D200 PolarHBondContact OD2-N 3.05Å; D192-G201 VanDerWaalsContact CG-C 3.41Å; D192-G201 WeakPolarHBondContact OD1-CA 3.46Å; D192-G201 WeakPolarHBondContact OD2-CA 3.5Å; D192-G201 PolarHBondContact OD2-N 3.14Å; D192-G202 PolarHBondContact OD1-N 3.05Å; D192-G202 VanDerWaalsContact OD1-N 3.09Å; D192-Q238 HydrophobicContact CB-CG 3.89Å
193I97Very high92.4Very high15 Ų1546.4 Ų46.48%0.07726%0.26CS..  trans-87.3-1.8-174.161.3179.5000112.5L158 L170 L172 H173 Y174 G191L158-I193 HydrophobicContact CD2-CD1 3.79Å; L170-I193 HydrophobicContact CD2-CD1 3.99Å; L170-I193 HydrophobicContact CD2-CG1 3.78Å; L170-I193 HydrophobicContact CG-CD1 4.36Å; L170-I193 HydrophobicContact CG-CG1 4.24Å; L172-I193 HydrophobicContact CD2-CD1 4.03Å; H173-I193 WeakPolarHBondContact O-CG2 3.17Å; Y174-I193 HydrophobicContact CD1-CG2 3.69Å; Y174-I193 HydrophobicContact CE1-CG2 4.11Å; G191-I193 PolarHBondContact O-N 3.13Å
194S94.8Very high92.5Very high34 Ų3445.3 Ų45.324%0.23825%0.253CS..SBendtrans-66.7140.2178-66.60000112.5D192 N196 S197 G202D192-S194 VanDerWaalsContact C-N 3.32Å; D192-S194 WeakPolarHBondContact OD1-CB 3.44Å; D192-S194 PolarHBondContact OD1-N 2.89Å; S194-N196 PolarHBondContact O-N 2.74Å; S194-S197 WeakPolarHBondContact O-CB 3.19Å; S194-S197 PolarHBondContact O-N 3.16Å; S194-S197 VanDerWaalsContact O-N 3.1Å; S194-G202 PolarHBondContact OG-N 3.12Å
195P85.8Confident92.9Very high98 Ų9843.2 Ų43.264%0.63624%0.238SC*.THydrogen-bonded Turntrans-56.3136.2174.7-24.632.7000111.4S197P195-S197 PolarHBondContact O-N 3.28Å; P195-S197 VanDerWaalsContact O-N 3.13Å
196N80.9Confident93.4Very high163 Ų16342.2 Ų42.287%0.87223%0.227SC*.THydrogen-bonded Turntrans56.822.8-178.1-52.6-54.4000114.6S194S194-N196 PolarHBondContact O-N 2.74Å
197S80.6Confident93.5Very high14 Ų1442.6 Ų42.610%0.09823%0.231CC..  trans-49.4144.5-176.7153.60000114D192 S194 P195 G199D192-S197 WeakPolarHBondContact CB-OG 3.45Å; D192-S197 WeakPolarHBondContact OD1-CB 3.16Å; D192-S197 PolarHBondContact OD1-OG 3.03Å; D192-S197 VanDerWaalsContact OD2-CB 3.3Å; D192-S197 WeakPolarHBondContact OD2-CB 3.49Å; D192-S197 PolarHBondContact OD2-OG 3.36Å; S194-S197 WeakPolarHBondContact O-CB 3.19Å; S194-S197 PolarHBondContact O-N 3.16Å; S194-S197 VanDerWaalsContact O-N 3.1Å; P195-S197 PolarHBondContact O-N 3.28Å; P195-S197 VanDerWaalsContact O-N 3.13Å; S197-G199 PolarHBondContact OG-N 3.33Å; S197-G199 VanDerWaalsContact OG-N 3.12Å
198R80.8Confident93.4Very high181 Ų18144.9 Ų44.968%0.68325%0.25SS*.SBendtrans-119.313.9169-58.7-173.3172.3-164.90.2113D200R198-D200 PolarHBondContact N-OD1 2.99Å
199G88.4Confident93.3Very high19 Ų1948.5 Ų48.520%0.19627%0.272CS..SBendtrans95.314.6-175.900000114.7H180 D192 S197 Q238H180-G199 WeakPolarHBondContact CD2-CA 3.29Å; H180-G199 WeakPolarHBondContact NE2-CA 3.3Å; D192-G199 VanDerWaalsContact OD2-C 3.29Å; D192-G199 VanDerWaalsContact OD2-CA 3.22Å; D192-G199 WeakPolarHBondContact OD2-CA 3.32Å; D192-G199 PolarHBondContact OD2-N 3Å; D192-G199 VanDerWaalsContact OD2-N 3.15Å; S197-G199 PolarHBondContact OG-N 3.33Å; S197-G199 VanDerWaalsContact OG-N 3.12Å; G199-Q238 VanDerWaalsContact C-NE2 3.29Å; G199-Q238 PolarHBondContact O-NE2 2.97Å
200D89.8Confident93.3Very high111 Ų11148 Ų4859%0.59427%0.27SS*.SBendtrans-107.9-9.4-177.756.1-23.3000114.1D192 R198 K230D192-D200 PolarHBondContact OD2-N 3.05Å; R198-D200 PolarHBondContact N-OD1 2.99Å; D200-K230 PolarHBondContact O-NZ 2.87Å
201G93.4Very high93.3Very high24 Ų2453.7 Ų53.725%0.24730%0.297CS..  trans-111.9-153.9-178.100000114.3D192 Q238D192-G201 VanDerWaalsContact CG-C 3.41Å; D192-G201 WeakPolarHBondContact OD1-CA 3.46Å; D192-G201 WeakPolarHBondContact OD2-CA 3.5Å; D192-G201 PolarHBondContact OD2-N 3.14Å; G201-Q238 PolarHBondContact O-NE2 3.34Å
202G95.3Very high93.4Very high16 Ų1654.7 Ų54.717%0.16530%0.302CS..  trans92.6147.8-176.600000113.5D192 S194 S237D192-G202 PolarHBondContact OD1-N 3.05Å; D192-G202 VanDerWaalsContact OD1-N 3.09Å; S194-G202 PolarHBondContact OG-N 3.12Å; G202-S237 WeakPolarHBondContact CA-OG 3.28Å
203E97.1Very high93.4Very high33 Ų3357.7 Ų57.715%0.15432%0.316CS..  trans-136.6151.6179.6-62.9-178.9-176.900109.4S166 S168 L170 S237S166-E203 WeakPolarHBondContact CB-OE2 3.28Å; S166-E203 PolarHBondContact OG-OE2 2.81Å; S168-E203 WeakPolarHBondContact CB-OE1 3.44Å; S168-E203 PolarHBondContact OG-OE1 3.48Å; S168-E203 PolarHBondContact OG-OE2 3.43Å; S168-E203 VanDerWaalsContact OG-OE2 3.06Å; L170-E203 HydrophobicContact CD2-CB 4.03Å; L170-E203 HydrophobicContact CD2-CG 3.8Å; E203-S237 WeakPolarHBondContact O-CB 3.43Å
204S98.3Very high93.3Very high1 Ų158.3 Ų58.31%0.00732%0.322CS..BIsolated β-bridgetrans-80.5167.5172.477.60000111.2N154 Y206 G207 F210N154-S204 VanDerWaalsContact OD1-CA 3.29Å; N154-S204 WeakPolarHBondContact OD1-CA 3.08Å; N154-S204 VanDerWaalsContact OD1-CB 3.29Å; N154-S204 WeakPolarHBondContact OD1-CB 3.3Å; S204-Y206 PolarHBondContact O-N 2.83Å; S204-Y206 VanDerWaalsContact O-N 3.14Å; S204-Y206 PolarHBondContact OG-N 3.43Å; S204-Y206 VanDerWaalsContact OG-N 3.14Å; S204-G207 CarbonylContact C-O 3.46Å; S204-G207 WeakPolarHBondContact CA-O 3.33Å; S204-G207 WeakPolarHBondContact CB-O 3.42Å; S204-G207 PolarHBondContact N-O 2.82Å; S204-G207 PolarHBondContact O-N 3.3Å; S204-G207 VanDerWaalsContact O-O 3.07Å; S204-G207 PolarHBondContact OG-N 3.33Å; S204-G207 PolarHBondContact OG-O 3.32Å; S204-F210 VanDerWaalsContact CB-CD1 3.45Å
205I98.4Very high93.5Very high24 Ų2460.6 Ų60.612%0.12333%0.328CS..THydrogen-bonded Turntrans-67-10.4171.870.3168.4000113.6E153 N154 A157 L158 R163 L172E153-I205 HydrophobicContact CG-CD1 4.08Å; N154-I205 HydrophobicContact CB-CG1 4.2Å; N154-I205 PolarHBondContact OD1-N 3.46Å; A157-I205 HydrophobicContact CB-CD1 3.88Å; A157-I205 HydrophobicContact CB-CG2 3.82Å; L158-I205 HydrophobicContact CD2-CG2 4.25Å; L158-I205 HydrophobicContact CG-CG2 4.09Å; R163-I205 HydrophobicContact CB-CG2 4.38Å; R163-I205 HydrophobicContact CG-CB 4.17Å; R163-I205 HydrophobicContact CG-CG2 4.01Å; L172-I205 HydrophobicContact CD1-CG2 4.43Å
206Y98.1Very high94Very high86 Ų8659.8 Ų59.834%0.33733%0.329SS..THydrogen-bonded Turntrans-101.62.7-179.3-48.3-63.6000113K150 N154 S204 F210K150-Y206 HydrophobicContact CD-CE2 4.27Å; K150-Y206 HydrophobicContact CG-CD2 4.29Å; K150-Y206 HydrophobicContact CG-CE1 4.4Å; K150-Y206 HydrophobicContact CG-CE2 3.45Å; K150-Y206 VanDerWaalsContact CG-CE2 3.45Å; K150-Y206 WeakPolarHBondContact CG-OH 3.33Å; K150-Y206 WeakPolarHBondContact O-CE2 3.32Å; K150-Y206 PolarHBondContact O-OH 2.96Å; N154-Y206 HydrophobicContact CB-CE2 3.87Å; S204-Y206 PolarHBondContact O-N 2.83Å; S204-Y206 VanDerWaalsContact O-N 3.14Å; S204-Y206 PolarHBondContact OG-N 3.43Å; S204-Y206 VanDerWaalsContact OG-N 3.14Å; Y206-F210 HydrophobicContact CD2-CB 4.16Å; Y206-F210 HydrophobicContact CD2-CD1 4.24Å; Y206-F210 HydrophobicContact CD2-CG 4.07Å
207G97.1Very high94.8Very high17 Ų1753.4 Ų53.418%0.17530%0.295CS..BIsolated β-bridgetrans122.3-167.2-172.500000112.5S204 T209S204-G207 CarbonylContact C-O 3.46Å; S204-G207 WeakPolarHBondContact CA-O 3.33Å; S204-G207 WeakPolarHBondContact CB-O 3.42Å; S204-G207 PolarHBondContact N-O 2.82Å; S204-G207 PolarHBondContact O-N 3.3Å; S204-G207 VanDerWaalsContact O-O 3.07Å; S204-G207 PolarHBondContact OG-N 3.33Å; S204-G207 PolarHBondContact OG-O 3.32Å; G207-T209 VanDerWaalsContact C-N 3.31Å; G207-T209 PolarHBondContact O-N 2.61Å
208P95.8Very high95.6Very high86 Ų8655.3 Ų55.356%0.55831%0.308SS*.SBendtrans-55.4-43.5-172.5-27.935.3000113.8
209T97.4Very high96.4Very high75 Ų7546.7 Ų46.746%0.4628%0.275SS..  trans-146.3160176.257.90000111.8G207 N235G207-T209 VanDerWaalsContact C-N 3.31Å; G207-T209 PolarHBondContact O-N 2.61Å; T209-N235 CarbonylContact C-O 3.57Å; T209-N235 WeakPolarHBondContact CA-O 3.3Å
210F98.4Very high96.7Very high9 Ų948.8 Ų48.84%0.03929%0.287CS..BIsolated β-bridgetrans-134165.4169.371.8-77.5000112T151 N154 S204 Y206 M227 H233 N235T151-F210 HydrophobicContact CG2-CE2 4.37Å; T151-F210 HydrophobicContact CG2-CZ 4.14Å; N154-F210 HydrophobicContact CB-CE1 4.38Å; N154-F210 HydrophobicContact CB-CZ 4.37Å; S204-F210 VanDerWaalsContact CB-CD1 3.45Å; Y206-F210 HydrophobicContact CD2-CB 4.16Å; Y206-F210 HydrophobicContact CD2-CD1 4.24Å; Y206-F210 HydrophobicContact CD2-CG 4.07Å; F210-M227 HydrophobicContact CE1-CE 4.22Å; F210-M227 HydrophobicContact CZ-CE 4.3Å; F210-H233 CarbonylContact O-C 3.6Å; F210-N235 HydrophobicContact CD1-CB 3.8Å; F210-N235 WeakPolarHBondContact CD1-O 3.5Å; F210-N235 HydrophobicContact CD2-CB 4.26Å; F210-N235 HydrophobicContact CE1-CB 3.44Å; F210-N235 VanDerWaalsContact CE1-CB 3.44Å; F210-N235 HydrophobicContact CE2-CB 3.94Å; F210-N235 HydrophobicContact CG-CB 4.2Å; F210-N235 HydrophobicContact CZ-CB 3.52Å; F210-N235 PolarHBondContact N-O 3.18Å; F210-N235 WeakPolarHBondContact O-CB 3.36Å; F210-N235 PolarHBondContact O-N 2.79Å; F210-N235 PolarHBondContact O-ND2 2.85Å
211E98.1Very high96.9Very high120 Ų12047.9 Ų47.956%0.56128%0.278SS*.  trans-75.4152.7-171.327.2-165.9170.300113.7E213 H233 N235E211-E213 PolarHBondContact O-N 3.25Å; E211-H233 HydrophobicContact CB-CB 4.01Å; E211-H233 WeakPolarHBondContact CB-ND1 3.42Å; E211-N235 PolarHBondContact O-ND2 2.75Å
212D98.1Very high96.9Very high20 Ų2049.3 Ų49.311%0.10728%0.276CS..  trans-63.9119.1172.8-61.2-44000110.2F215 P232 H233 N235 V254D212-F215 HydrophobicContact CB-CE1 4.24Å; D212-F215 HydrophobicContact CB-CE2 4.36Å; D212-F215 HydrophobicContact CB-CZ 3.68Å; D212-P232 WeakPolarHBondContact OD2-CA 3.05Å; D212-H233 PolarHBondContact N-ND1 2.89Å; D212-H233 VanDerWaalsContact N-ND1 3.18Å; D212-H233 PolarHBondContact OD2-N 3.43Å; D212-H233 IonicContact OD2-ND1 3.2Å; D212-N235 WeakPolarHBondContact CA-ND2 3.19Å; D212-N235 PolarHBondContact N-ND2 3.42Å; D212-N235 PolarHBondContact OD1-ND2 2.85Å; D212-V254 HydrophobicContact CB-CG2 3.68Å
213E97.4Very high97Very high65 Ų6548.6 Ų48.630%0.30427%0.268SS..  trans-83.9-48.3-171.7-175.8171.6-158.800113C148 P149 K150 T151 E211C148-E213 VanDerWaalsContact C-OE2 3.22Å; C148-E213 WeakPolarHBondContact CA-OE2 3.45Å; P149-E213 WeakPolarHBondContact CD-OE1 2.86Å; P149-E213 VanDerWaalsContact CG-OE1 3.3Å; P149-E213 WeakPolarHBondContact CG-OE1 3.36Å; K150-E213 VanDerWaalsContact CB-OE1 3.28Å; K150-E213 WeakPolarHBondContact CB-OE1 3.33Å; K150-E213 PolarHBondContact N-OE1 3.35Å; K150-E213 PolarHBondContact N-OE2 3.43Å; T151-E213 VanDerWaalsContact CB-OE2 3.3Å; T151-E213 WeakPolarHBondContact CB-OE2 3.47Å; T151-E213 PolarHBondContact N-OE2 3.4Å; T151-E213 PolarHBondContact OG1-OE2 3.4Å; E211-E213 PolarHBondContact O-N 3.25Å
214S96.3Very high97.1Very high29 Ų2947.5 Ų47.520%0.20326%0.264CS..  trans-156.6150.8-177.7-179.10000111.8A216S214-A216 WeakPolarHBondContact OG-CB 3.25Å; S214-A216 PolarHBondContact OG-N 2.97Å
215F97.1Very high97.1Very high82 Ų8247.5 Ų47.536%0.3626%0.264SS..  trans-118.621.1173.2-56.7-66.8000112.1D212 I217 K251 V254D212-F215 HydrophobicContact CB-CE1 4.24Å; D212-F215 HydrophobicContact CB-CE2 4.36Å; D212-F215 HydrophobicContact CB-CZ 3.68Å; F215-I217 VanDerWaalsContact C-N 3.29Å; F215-I217 PolarHBondContact O-N 2.65Å; F215-K251 HydrophobicContact CB-CB 4.46Å; F215-K251 HydrophobicContact CB-CG 4.24Å; F215-K251 HydrophobicContact CG-CB 4.4Å; F215-V254 HydrophobicContact CD1-CG2 4.47Å; F215-V254 HydrophobicContact CE1-CG2 4.07Å
216A97.1Very high97.1Very high80 Ų8046.3 Ų46.366%0.66126%0.258SS*.  trans-70.5-25.6-177.500000113.1V147 S214V147-A216 HydrophobicContact CG1-CB 3.98Å; S214-A216 WeakPolarHBondContact OG-CB 3.25Å; S214-A216 PolarHBondContact OG-N 2.97Å
217I97.4Very high97.1Very high30 Ų3042.2 Ų42.215%0.15424%0.242CC..SBendtrans-90.4120.9-180-61.6142000108.9F144 V147 F215 A255F144-I217 HydrophobicContact CB-CD1 4Å; F144-I217 HydrophobicContact CD2-CD1 3.53Å; F144-I217 HydrophobicContact CD2-CG1 3.91Å; F144-I217 HydrophobicContact CD2-CG2 4.17Å; F144-I217 HydrophobicContact CE2-CD1 4.45Å; F144-I217 HydrophobicContact CE2-CG1 4.45Å; F144-I217 HydrophobicContact CE2-CG2 3.98Å; F144-I217 HydrophobicContact CG-CD1 4.21Å; V147-I217 HydrophobicContact CB-CD1 4.1Å; V147-I217 HydrophobicContact CG1-CD1 3.8Å; V147-I217 HydrophobicContact CG1-CG1 4.25Å; F215-I217 VanDerWaalsContact C-N 3.29Å; F215-I217 PolarHBondContact O-N 2.65Å; I217-A255 HydrophobicContact CB-CB 3.89Å; I217-A255 WeakPolarHBondContact CD1-O 3.09Å; I217-A255 HydrophobicContact CG2-CB 3.59Å
218S97.1Very high97.1Very high53 Ų5342 Ų4237%0.37124%0.238SC..  trans-84.9150178.168.10000112.7S220 D250S218-S220 PolarHBondContact O-N 2.73Å; S218-S220 WeakPolarHBondContact OG-CB 3.37Å; S218-S220 PolarHBondContact OG-OG 3.46Å; S218-D250 WeakPolarHBondContact CA-OD1 3.36Å
219H97.5Very high97.1Very high1 Ų139.1 Ų39.11%0.00522%0.218CC..  trans-82.844172.3-6181.9000111.9K221 Y240 P245 A246 M249 D250 Y253H219-K221 VanDerWaalsContact C-N 3.31Å; H219-K221 PolarHBondContact O-N 2.79Å; H219-Y240 AromaticContact CD2-CE2 3.93Å; H219-Y240 AromaticContact NE2-CE2 3.81Å; H219-Y240 AromaticContact NE2-CZ 3.61Å; H219-Y240 PolarHBondContact NE2-OH 3.39Å; H219-P245 CarbonylContact O-C 3.53Å; H219-P245 WeakPolarHBondContact O-CA 3.48Å; H219-A246 HydrophobicContact CB-CB 4.36Å; H219-A246 VanDerWaalsContact CB-O 3.26Å; H219-A246 WeakPolarHBondContact CB-O 3.35Å; H219-A246 CarbonylContact O-C 3.58Å; H219-A246 PolarHBondContact O-N 2.92Å; H219-M249 HydrophobicContact CB-CB 4.42Å; H219-D250 WeakPolarHBondContact CB-OD1 3.47Å; H219-D250 IonicContact CE1-OD1 2.75Å; H219-D250 IonicContact CG-OD1 3.16Å; H219-D250 PolarHBondContact N-OD1 3.48Å; H219-D250 IonicContact ND1-OD1 2.72Å; H219-D250 PolarHBondContact ND1-OD1 2.61Å; H219-Y253 PolarHBondContact CE1-O 2.92Å
220S94.9Very high96.9Very high63 Ų6343 Ų4344%0.44123%0.228SC..  trans-85.3-2.4-173.170.10000113.9S218 P245S218-S220 PolarHBondContact O-N 2.73Å; S218-S220 WeakPolarHBondContact OG-CB 3.37Å; S218-S220 PolarHBondContact OG-OG 3.46Å; S220-P245 WeakPolarHBondContact O-CB 3.48Å; S220-P245 WeakPolarHBondContact O-CG 3.23Å
221K93.8Very high96.6Very high92 Ų9243.7 Ų43.740%0.424%0.239SC..SBendtrans-133.4161.2-172.6-65.6-172.3-179.7-174.40111.2H219 T224 T242H219-K221 VanDerWaalsContact C-N 3.31Å; H219-K221 PolarHBondContact O-N 2.79Å; K221-T224 PolarHBondContact O-OG1 2.9Å; K221-T242 PolarHBondContact O-OG1 2.9Å
222R95.1Very high96.5Very high54 Ų5442.8 Ų42.820%0.20424%0.243CC..THydrogen-bonded Turntrans-72.9150.5165-179.1-179.5173102.3-5.4108.4F47 T224 L243 E270F47-R222 HydrophobicContact CE1-CB 4.43Å; F47-R222 HydrophobicContact CE1-CG 4.4Å; F47-R222 VanDerWaalsContact CE1-O 3.32Å; F47-R222 WeakPolarHBondContact CE1-O 3.48Å; F47-R222 HydrophobicContact CZ-CB 4.46Å; F47-R222 HydrophobicContact CZ-CG 3.95Å; R222-T224 VanDerWaalsContact C-N 3.28Å; R222-T224 PolarHBondContact O-N 2.92Å; R222-L243 WeakPolarHBondContact CD-O 3.44Å; R222-L243 VanDerWaalsContact CG-O 3.28Å; R222-L243 WeakPolarHBondContact CG-O 3.37Å; R222-L243 PolarHBondContact NH1-O 3.05Å; R222-E270 IonicContact CZ-OE2 3.8Å; R222-E270 IonicContact NH1-OE1 2.72Å; R222-E270 PolarHBondContact NH1-OE1 3.36Å; R222-E270 IonicContact NH1-OE2 3.16Å; R222-E270 PolarHBondContact NH1-OE2 3.35Å; R222-E270 IonicContact NH2-OE2 2.74Å; R222-E270 PolarHBondContact NH2-OE2 3.16Å
223G97.1Very high96.4Very high1 Ų146.8 Ų46.81%0.0126%0.261CS..THydrogen-bonded Turntrans79.46.3175.900000114.2L225 T242 R258 V259G223-L225 PolarHBondContact O-N 3.06Å; G223-T242 PolarHBondContact N-O 3.06Å; G223-T242 PolarHBondContact N-OG1 3.47Å; G223-R258 CarbonylContact O-C 3.44Å; G223-R258 VanDerWaalsContact O-CA 3.29Å; G223-R258 WeakPolarHBondContact O-CA 3.29Å; G223-V259 PolarHBondContact O-N 2.86Å
224T98.3Very high96.4Very high10 Ų1045.8 Ų45.86%0.06126%0.259CS..EExtended strand (participates in β ladder)trans-61.2126.9168.3-58.90000109.5K221 R222 I241 T242 A255K221-T224 PolarHBondContact O-OG1 2.9Å; R222-T224 VanDerWaalsContact C-N 3.28Å; R222-T224 PolarHBondContact O-N 2.92Å; T224-I241 WeakPolarHBondContact O-CA 3.33Å; T224-T242 WeakPolarHBondContact CB-OG1 3.36Å; T224-T242 PolarHBondContact N-OG1 3.35Å; T224-T242 PolarHBondContact O-N 3.28Å; T224-T242 PolarHBondContact O-OG1 2.63Å; T224-A255 HydrophobicContact CG2-CB 3.67Å
225L98.8Very high96.5Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-94.3129.2174.5176.869000109F141 L143 F155 G223 F239 Y240 I241 F256 G257F141-L225 HydrophobicContact CB-CD2 4.23Å; F141-L225 HydrophobicContact CD1-CB 4.37Å; F141-L225 HydrophobicContact CD1-CD1 4.32Å; F141-L225 HydrophobicContact CD1-CD2 3.85Å; F141-L225 HydrophobicContact CD1-CG 4.41Å; F141-L225 HydrophobicContact CE1-CD1 4.21Å; F141-L225 HydrophobicContact CG-CD2 4.16Å; L143-L225 HydrophobicContact CD2-CD2 3.75Å; F155-L225 HydrophobicContact CD1-CD2 4.41Å; F155-L225 HydrophobicContact CE1-CD2 4.09Å; F155-L225 HydrophobicContact CE2-CD1 4.17Å; F155-L225 HydrophobicContact CE2-CD2 4.34Å; F155-L225 HydrophobicContact CZ-CD1 4.19Å; F155-L225 HydrophobicContact CZ-CD2 4.05Å; G223-L225 PolarHBondContact O-N 3.06Å; L225-F239 HydrophobicContact CD1-CB 4.17Å; L225-F239 HydrophobicContact CD1-CD2 3.61Å; L225-F239 HydrophobicContact CD1-CE2 4.37Å; L225-F239 HydrophobicContact CD1-CG 4.19Å; L225-Y240 WeakPolarHBondContact CA-O 3.5Å; L225-I241 HydrophobicContact CD1-CG1 4.12Å; L225-F256 HydrophobicContact CD1-CZ 4.25Å; L225-F256 HydrophobicContact CD2-CD2 4.34Å; L225-F256 HydrophobicContact CD2-CE1 4.49Å; L225-F256 HydrophobicContact CD2-CE2 3.55Å; L225-F256 HydrophobicContact CD2-CZ 3.64Å; L225-F256 HydrophobicContact CG-CE1 4.03Å; L225-F256 HydrophobicContact CG-CE2 3.99Å; L225-F256 HydrophobicContact CG-CZ 3.6Å; L225-F256 PolarHBondContact O-N 3.35Å; L225-G257 PolarHBondContact N-O 3.46Å; L225-G257 PolarHBondContact O-N 3.44Å
226G98.5Very high96.6Very high0 Ų040.9 Ų40.90%024%0.237CC..EExtended strand (participates in β ladder)trans-148.6166.6178.700000113.8F239 Y240 V254 F256G226-F239 CarbonylContact O-C 3.58Å; G226-F239 VanDerWaalsContact O-CA 3.25Å; G226-F239 WeakPolarHBondContact O-CA 3.43Å; G226-F239 WeakPolarHBondContact O-CB 3.13Å; G226-Y240 VanDerWaalsContact C-CE1 3.46Å; G226-Y240 VanDerWaalsContact CA-CZ 3.49Å; G226-Y240 PolarHBondContact N-O 2.71Å; G226-Y240 WeakPolarHBondContact O-CD1 3.36Å; G226-Y240 PolarHBondContact O-N 2.77Å; G226-V254 CarbonylContact C-O 3.55Å; G226-V254 WeakPolarHBondContact CA-O 3.46Å; G226-F256 VanDerWaalsContact C-CE1 3.48Å
227M98.3Very high96.6Very high0 Ų037.1 Ų37.10%021%0.206CC..EExtended strand (participates in β ladder)trans-84.2125-177.9-69-55.4-61.600110.8T151 F210 N235 G236 Q238 Y240 V254 F256T151-M227 HydrophobicContact CG2-CG 3.53Å; T151-M227 HydrophobicContact CG2-SD 4.02Å; F210-M227 HydrophobicContact CE1-CE 4.22Å; F210-M227 HydrophobicContact CZ-CE 4.3Å; M227-N235 HydrophobicContact CB-CB 4.27Å; M227-N235 VanDerWaalsContact CB-OD1 3.25Å; M227-N235 WeakPolarHBondContact CB-OD1 3.38Å; M227-N235 HydrophobicContact CE-CB 4.19Å; M227-N235 HydrophobicContact CG-CB 4.38Å; M227-G236 WeakPolarHBondContact CE-O 3.32Å; M227-Q238 WeakPolarHBondContact CE-O 3.26Å; M227-Y240 VanDerWaalsContact O-CE1 3.3Å; M227-Y240 WeakPolarHBondContact O-CE1 3.42Å; M227-V254 PolarHBondContact N-O 2.91Å; M227-F256 HydrophobicContact CG-CD1 3.85Å; M227-F256 HydrophobicContact CG-CE1 3.63Å; M227-F256 HydrophobicContact SD-CD1 4.21Å; M227-F256 HydrophobicContact SD-CE1 3.45Å; M227-F256 WeakPolarHBondContact SD-CE1 3.34Å; M227-F256 HydrophobicContact SD-CZ 3.89Å
228A97.3Very high96.7Very high12 Ų1236.5 Ų36.510%0.09920%0.202CC..  trans-76.9132.8167.200000108.7Q189 Q238 Y240Q189-A228 HydrophobicContact CG-CB 4.35Å; A228-Q238 HydrophobicContact CB-CB 3.88Å; A228-Q238 PolarHBondContact N-O 3.02Å; A228-Y240 HydrophobicContact CB-CD1 4.35Å
229N95.1Very high96.8Very high26 Ų2634 Ų3414%0.13918%0.184CC..  trans-133.3166.8-179.569.531.6000111G231 T252 Y253N229-G231 PolarHBondContact OD1-N 3Å; N229-T252 PolarHBondContact ND2-O 3.36Å; N229-Y253 VanDerWaalsContact OD1-CE1 3.25Å; N229-Y253 WeakPolarHBondContact OD1-CE1 3.12Å
230K92.4Very high96.8Very high155 Ų15534 Ų3467%0.67419%0.185SC*.SBendtrans-106.828.8176.7-63.8177.6-176.6169.70111.3D200 T234D200-K230 PolarHBondContact O-NZ 2.87Å; K230-T234 WeakPolarHBondContact CA-OG1 3.45Å; K230-T234 PolarHBondContact N-OG1 2.85Å
231G93.3Very high97Very high25 Ų2531 Ų3126%0.25816%0.164SC..SBendtrans126.4173.4-171.200000112.3N229 H233 T234N229-G231 PolarHBondContact OD1-N 3Å; G231-H233 PolarHBondContact O-N 3.37Å; G231-T234 PolarHBondContact N-OG1 3.47Å; G231-T234 PolarHBondContact O-N 3.09Å; G231-T234 PolarHBondContact O-OG1 3.36Å
232P95.6Very high97.2Very high101 Ų10126.7 Ų26.766%0.65614%0.144SC*.THydrogen-bonded Turntrans-53.6137.4-178.5-2634.9000112.2D212 T234D212-P232 WeakPolarHBondContact OD2-CA 3.05Å; P232-T234 VanDerWaalsContact C-N 3.3Å; P232-T234 PolarHBondContact O-N 3.14Å
233H96.7Very high97.3Very high103 Ų10324.3 Ų24.348%0.47714%0.136SC..THydrogen-bonded Turntrans6031.9176.2-49.1-75.7000115.2F210 E211 D212 G231F210-H233 CarbonylContact O-C 3.6Å; E211-H233 HydrophobicContact CB-CB 4.01Å; E211-H233 WeakPolarHBondContact CB-ND1 3.42Å; D212-H233 PolarHBondContact N-ND1 2.89Å; D212-H233 VanDerWaalsContact N-ND1 3.18Å; D212-H233 PolarHBondContact OD2-N 3.43Å; D212-H233 IonicContact OD2-ND1 3.2Å; G231-H233 PolarHBondContact O-N 3.37Å
234T97.4Very high97.1Very high44 Ų4428.6 Ų28.627%0.2716%0.156SC..  trans-119.537178.963.30000113.1K230 G231 P232K230-T234 WeakPolarHBondContact CA-OG1 3.45Å; K230-T234 PolarHBondContact N-OG1 2.85Å; G231-T234 PolarHBondContact N-OG1 3.47Å; G231-T234 PolarHBondContact O-N 3.09Å; G231-T234 PolarHBondContact O-OG1 3.36Å; P232-T234 VanDerWaalsContact C-N 3.3Å; P232-T234 PolarHBondContact O-N 3.14Å
235N98.3Very high97Very high0 Ų031.5 Ų31.50%018%0.175CC..BIsolated β-bridgetrans-71.7132.2178.3-58.7-58.4000110.1T209 F210 E211 D212 M227T209-N235 CarbonylContact C-O 3.57Å; T209-N235 WeakPolarHBondContact CA-O 3.3Å; F210-N235 HydrophobicContact CD1-CB 3.8Å; F210-N235 WeakPolarHBondContact CD1-O 3.5Å; F210-N235 HydrophobicContact CD2-CB 4.26Å; F210-N235 HydrophobicContact CE1-CB 3.44Å; F210-N235 VanDerWaalsContact CE1-CB 3.44Å; F210-N235 HydrophobicContact CE2-CB 3.94Å; F210-N235 HydrophobicContact CG-CB 4.2Å; F210-N235 HydrophobicContact CZ-CB 3.52Å; F210-N235 PolarHBondContact N-O 3.18Å; F210-N235 WeakPolarHBondContact O-CB 3.36Å; F210-N235 PolarHBondContact O-N 2.79Å; F210-N235 PolarHBondContact O-ND2 2.85Å; E211-N235 PolarHBondContact O-ND2 2.75Å; D212-N235 WeakPolarHBondContact CA-ND2 3.19Å; D212-N235 PolarHBondContact N-ND2 3.42Å; D212-N235 PolarHBondContact OD1-ND2 2.85Å; M227-N235 HydrophobicContact CB-CB 4.27Å; M227-N235 VanDerWaalsContact CB-OD1 3.25Å; M227-N235 WeakPolarHBondContact CB-OD1 3.38Å; M227-N235 HydrophobicContact CE-CB 4.19Å; M227-N235 HydrophobicContact CG-CB 4.38Å
236G97.9Very high96.9Very high9 Ų931.7 Ų31.79%0.09318%0.176CC..  trans-122.1-121.2179.100000111.3N154 M227N154-G236 PolarHBondContact ND2-O 3.45Å; M227-G236 WeakPolarHBondContact CE-O 3.32Å
237S98.3Very high96.8Very high1 Ų135.4 Ų35.41%0.00720%0.2CC..SBendtrans-102.3-16170.461.50000113.6Y174 G191 G202 E203Y174-S237 VanDerWaalsContact CE1-O 3.27Å; Y174-S237 WeakPolarHBondContact CE1-O 3.28Å; Y174-S237 PolarHBondContact OH-O 2.93Å; G191-S237 CarbonylContact O-C 3.48Å; G191-S237 WeakPolarHBondContact O-CB 3.46Å; G191-S237 VanDerWaalsContact O-O 3.09Å; G191-S237 PolarHBondContact O-OG 2.9Å; G202-S237 WeakPolarHBondContact CA-OG 3.28Å; E203-S237 WeakPolarHBondContact O-CB 3.43Å
238Q98.6Very high96.6Very high16 Ų1642.6 Ų42.68%0.07523%0.228CC..  trans-72.5137.9-175.5-62.9-168.235.400111.5H180 G190 G191 D192 G199 G201 M227 A228H180-Q238 PolarHBondContact CE1-OE1 3.09Å; H180-Q238 PolarHBondContact NE2-OE1 3.49Å; G190-Q238 WeakPolarHBondContact O-CA 3.29Å; G191-Q238 PolarHBondContact O-N 2.85Å; D192-Q238 HydrophobicContact CB-CG 3.89Å; G199-Q238 VanDerWaalsContact C-NE2 3.29Å; G199-Q238 PolarHBondContact O-NE2 2.97Å; G201-Q238 PolarHBondContact O-NE2 3.34Å; M227-Q238 WeakPolarHBondContact CE-O 3.26Å; A228-Q238 HydrophobicContact CB-CB 3.88Å; A228-Q238 PolarHBondContact N-O 3.02Å
239F98.8Very high96.6Very high0 Ų042.2 Ų42.20%022%0.224CC..EExtended strand (participates in β ladder)trans-133.1161.2-179.768.2-90.3000110.7L127 F155 Y174 F179 Q189 G190 L225 G226 I241L127-F239 HydrophobicContact CD1-CE1 4.42Å; L127-F239 HydrophobicContact CD1-CE2 4.36Å; L127-F239 HydrophobicContact CD1-CZ 3.7Å; F155-F239 HydrophobicContact CD2-CB 4.45Å; F155-F239 HydrophobicContact CE2-CB 3.89Å; F155-F239 AromaticContact CE2-CD1 3.56Å; F155-F239 HydrophobicContact CE2-CD1 3.56Å; F155-F239 HydrophobicContact CE2-CD2 4.16Å; F155-F239 HydrophobicContact CE2-CE1 4.06Å; F155-F239 AromaticContact CE2-CG 3.61Å; F155-F239 HydrophobicContact CE2-CG 3.61Å; F155-F239 HydrophobicContact CZ-CD1 4.29Å; F155-F239 HydrophobicContact CZ-CE1 4.39Å; F155-F239 HydrophobicContact CZ-CG 4.35Å; Y174-F239 HydrophobicContact CD1-CE1 4.31Å; Y174-F239 HydrophobicContact CE1-CD1 4Å; Y174-F239 HydrophobicContact CE1-CE1 4.02Å; Y174-F239 AromaticContact CZ-CD1 3.96Å; F179-F239 AromaticContact CE1-CE2 3.87Å; F179-F239 HydrophobicContact CE1-CE2 3.87Å; F179-F239 AromaticContact CE1-CZ 3.96Å; F179-F239 HydrophobicContact CE1-CZ 3.96Å; F179-F239 HydrophobicContact CZ-CE2 4.31Å; F179-F239 HydrophobicContact CZ-CZ 4.08Å; Q189-F239 VanDerWaalsContact CA-O 3.3Å; Q189-F239 WeakPolarHBondContact CA-O 3.42Å; Q189-F239 WeakPolarHBondContact CG-O 3.44Å; G190-F239 PolarHBondContact N-O 3.23Å; G190-F239 PolarHBondContact O-N 3.05Å; L225-F239 HydrophobicContact CD1-CB 4.17Å; L225-F239 HydrophobicContact CD1-CD2 3.61Å; L225-F239 HydrophobicContact CD1-CE2 4.37Å; L225-F239 HydrophobicContact CD1-CG 4.19Å; G226-F239 CarbonylContact O-C 3.58Å; G226-F239 VanDerWaalsContact O-CA 3.25Å; G226-F239 WeakPolarHBondContact O-CA 3.43Å; G226-F239 WeakPolarHBondContact O-CB 3.13Å; F239-I241 HydrophobicContact CD2-CG1 4.27Å; F239-I241 HydrophobicContact CE2-CD1 4.15Å; F239-I241 HydrophobicContact CE2-CG1 4.17Å
240Y98.6Very high96.6Very high3 Ų343.4 Ų43.41%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-126.1155.8168.962.9-97000112W187 V188 H219 L225 G226 M227 A228 T242 M249 Y253W187-Y240 HydrophobicContact CB-CD2 4.49Å; V188-Y240 CarbonylContact O-C 3.54Å; V188-Y240 WeakPolarHBondContact O-CA 3.43Å; H219-Y240 AromaticContact CD2-CE2 3.93Å; H219-Y240 AromaticContact NE2-CE2 3.81Å; H219-Y240 AromaticContact NE2-CZ 3.61Å; H219-Y240 PolarHBondContact NE2-OH 3.39Å; L225-Y240 WeakPolarHBondContact CA-O 3.5Å; G226-Y240 VanDerWaalsContact C-CE1 3.46Å; G226-Y240 VanDerWaalsContact CA-CZ 3.49Å; G226-Y240 PolarHBondContact N-O 2.71Å; G226-Y240 WeakPolarHBondContact O-CD1 3.36Å; G226-Y240 PolarHBondContact O-N 2.77Å; M227-Y240 VanDerWaalsContact O-CE1 3.3Å; M227-Y240 WeakPolarHBondContact O-CE1 3.42Å; A228-Y240 HydrophobicContact CB-CD1 4.35Å; Y240-T242 HydrophobicContact CD2-CG2 4.04Å; Y240-T242 HydrophobicContact CE2-CG2 3.93Å; Y240-M249 HydrophobicContact CD1-CE 4.08Å; Y240-M249 HydrophobicContact CD2-CE 4.03Å; Y240-M249 HydrophobicContact CE1-CE 3.56Å; Y240-M249 HydrophobicContact CE2-CE 3.53Å; Y240-M249 HydrophobicContact CE2-SD 4.36Å; Y240-M249 HydrophobicContact CG-CE 4.29Å; Y240-Y253 HydrophobicContact CE1-CD1 4.36Å; Y240-Y253 HydrophobicContact CE1-CG 4.28Å; Y240-Y253 WeakPolarHBondContact OH-CB 3.07Å
241I98.6Very high96.7Very high0 Ų043.9 Ų43.90%023%0.232CC..EExtended strand (participates in β ladder)trans-121.4120.2168.6-52.2165.8000107I139 F141 F179 W187 V188 T224 L225 F239 V259 L266I139-I241 HydrophobicContact CD1-CD1 3.95Å; F141-I241 HydrophobicContact CE1-CD1 3.58Å; F141-I241 HydrophobicContact CE1-CG1 3.98Å; F141-I241 HydrophobicContact CZ-CD1 3.65Å; F141-I241 HydrophobicContact CZ-CG1 4.47Å; F179-I241 HydrophobicContact CE1-CD1 4.31Å; W187-I241 CarbonylContact C-O 3.58Å; W187-I241 WeakPolarHBondContact CA-O 3.43Å; W187-I241 WeakPolarHBondContact CB-O 3.37Å; V188-I241 HydrophobicContact CG2-CB 3.82Å; V188-I241 HydrophobicContact CG2-CD1 4.2Å; V188-I241 HydrophobicContact CG2-CG1 4.36Å; V188-I241 PolarHBondContact N-O 2.8Å; V188-I241 PolarHBondContact O-N 3.14Å; T224-I241 WeakPolarHBondContact O-CA 3.33Å; L225-I241 HydrophobicContact CD1-CG1 4.12Å; F239-I241 HydrophobicContact CD2-CG1 4.27Å; F239-I241 HydrophobicContact CE2-CD1 4.15Å; F239-I241 HydrophobicContact CE2-CG1 4.17Å; I241-V259 HydrophobicContact CG2-CG2 3.61Å; I241-L266 HydrophobicContact CB-CD1 4.15Å; I241-L266 HydrophobicContact CD1-CD1 4.47Å; I241-L266 HydrophobicContact CG2-CD1 3.74Å; I241-L266 HydrophobicContact CG2-CD2 3.96Å
242T98.2Very high96.8Very high0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-67.5139.9179.655.80000111.6K221 G223 T224 Y240K221-T242 PolarHBondContact O-OG1 2.9Å; G223-T242 PolarHBondContact N-O 3.06Å; G223-T242 PolarHBondContact N-OG1 3.47Å; T224-T242 WeakPolarHBondContact CB-OG1 3.36Å; T224-T242 PolarHBondContact N-OG1 3.35Å; T224-T242 PolarHBondContact O-N 3.28Å; T224-T242 PolarHBondContact O-OG1 2.63Å; Y240-T242 HydrophobicContact CD2-CG2 4.04Å; Y240-T242 HydrophobicContact CE2-CG2 3.93Å
243L96.5Very high96.9Very high5 Ų544.4 Ų44.43%0.02622%0.222CC..SBendtrans-97.3-13.1175.5-64.6175.1000112.2G186 V188 R222 L266 E270G186-L243 PolarHBondContact O-N 3.16Å; V188-L243 HydrophobicContact CG1-CD1 3.93Å; V188-L243 HydrophobicContact CG1-CD2 4.22Å; V188-L243 HydrophobicContact CG1-CG 4.3Å; R222-L243 WeakPolarHBondContact CD-O 3.44Å; R222-L243 VanDerWaalsContact CG-O 3.28Å; R222-L243 WeakPolarHBondContact CG-O 3.37Å; R222-L243 PolarHBondContact NH1-O 3.05Å; L243-L266 HydrophobicContact CD2-CD1 3.63Å; L243-L266 HydrophobicContact CD2-CD2 4.26Å; L243-L266 HydrophobicContact CD2-CG 3.75Å; L243-E270 HydrophobicContact CD1-CB 3.84Å; L243-E270 HydrophobicContact CD1-CG 3.78Å; L243-E270 HydrophobicContact CD2-CB 3.87Å; L243-E270 HydrophobicContact CD2-CG 4.34Å; L243-E270 HydrophobicContact CG-CB 4.47Å
244Q94.6Very high96.9Very high91 Ų9139.5 Ų39.543%0.42520%0.199SC..SBendtrans-155.4167.7172.461.5173.27.600109.7N185 A246N185-Q244 VanDerWaalsContact O-CG 3.27Å; N185-Q244 WeakPolarHBondContact O-CG 3.26Å; N185-Q244 PolarHBondContact O-NE2 2.93Å; Q244-A246 PolarHBondContact O-N 3.49Å
245P95.7Very high97Very high71 Ų7137.4 Ų37.446%0.46119%0.187SC..  trans-52.2128.4170.2-26.436000111.1H219 S220H219-P245 CarbonylContact O-C 3.53Å; H219-P245 WeakPolarHBondContact O-CA 3.48Å; S220-P245 WeakPolarHBondContact O-CB 3.48Å; S220-P245 WeakPolarHBondContact O-CG 3.23Å
246A96.3Very high97Very high4 Ų437.4 Ų37.43%0.03319%0.187CC..  trans-129.962-179.600000112H219 Q244 W248 M249H219-A246 HydrophobicContact CB-CB 4.36Å; H219-A246 VanDerWaalsContact CB-O 3.26Å; H219-A246 WeakPolarHBondContact CB-O 3.35Å; H219-A246 CarbonylContact O-C 3.58Å; H219-A246 PolarHBondContact O-N 2.92Å; Q244-A246 PolarHBondContact O-N 3.49Å; A246-W248 PolarHBondContact O-N 3.49Å; A246-M249 HydrophobicContact CB-CG 4.02Å; A246-M249 HydrophobicContact CB-SD 3.72Å; A246-M249 WeakPolarHBondContact O-CB 3.31Å; A246-M249 PolarHBondContact O-N 3.06Å
247P96.3Very high97Very high77 Ų7737 Ų3750%0.518%0.182SC..G310 helixtrans-59.4-19.8-174.5-23.234000114.9M249 D250P247-M249 PolarHBondContact O-N 2.75Å; P247-D250 WeakPolarHBondContact O-CB 3.43Å; P247-D250 VanDerWaalsContact O-CG 3.28Å; P247-D250 PolarHBondContact O-N 2.91Å; P247-D250 VanDerWaalsContact O-N 3.1Å
248W94.8Very high97Very high152 Ų15239.9 Ų39.958%0.57619%0.193SC*.G310 helixtrans-66.9-16.8174.962.1-93.3000113.2W187 A246 D250 Y253W187-W248 HydrophobicContact CE3-CZ2 4.32Å; W187-W248 HydrophobicContact CH2-CH2 4.03Å; W187-W248 HydrophobicContact CH2-CZ2 4.43Å; W187-W248 AromaticContact CZ3-CH2 3.69Å; W187-W248 HydrophobicContact CZ3-CH2 3.69Å; W187-W248 AromaticContact CZ3-CZ2 3.66Å; W187-W248 HydrophobicContact CZ3-CZ2 3.66Å; A246-W248 PolarHBondContact O-N 3.49Å; W248-D250 VanDerWaalsContact C-N 3.32Å; W248-Y253 HydrophobicContact CZ3-CE2 4.31Å
249M96.5Very high97Very high4 Ų439.2 Ų39.22%0.0219%0.19CC..G310 helixtrans-80.2-15.1173.2-63.2-17874.100112.5H219 Y240 A246 P247 K251 T252 Y253H219-M249 HydrophobicContact CB-CB 4.42Å; Y240-M249 HydrophobicContact CD1-CE 4.08Å; Y240-M249 HydrophobicContact CD2-CE 4.03Å; Y240-M249 HydrophobicContact CE1-CE 3.56Å; Y240-M249 HydrophobicContact CE2-CE 3.53Å; Y240-M249 HydrophobicContact CE2-SD 4.36Å; Y240-M249 HydrophobicContact CG-CE 4.29Å; A246-M249 HydrophobicContact CB-CG 4.02Å; A246-M249 HydrophobicContact CB-SD 3.72Å; A246-M249 WeakPolarHBondContact O-CB 3.31Å; A246-M249 PolarHBondContact O-N 3.06Å; P247-M249 PolarHBondContact O-N 2.75Å; M249-K251 PolarHBondContact O-N 3.24Å; M249-T252 PolarHBondContact O-N 2.92Å; M249-T252 VanDerWaalsContact O-N 3.13Å; M249-Y253 HydrophobicContact CB-CD2 3.85Å; M249-Y253 HydrophobicContact CE-CD2 3.7Å; M249-Y253 HydrophobicContact CE-CE2 4.2Å; M249-Y253 HydrophobicContact CE-CG 3.96Å; M249-Y253 HydrophobicContact CG-CD2 4.06Å; M249-Y253 HydrophobicContact CG-CE2 4.43Å; M249-Y253 PolarHBondContact O-N 2.93Å
250D95.8Very high96.9Very high50 Ų5039.2 Ų39.227%0.26719%0.19SC..THydrogen-bonded Turntrans-58.6139.3-179.6-68.1-12.5000110.5S218 H219 P247 W248 T252S218-D250 WeakPolarHBondContact CA-OD1 3.36Å; H219-D250 WeakPolarHBondContact CB-OD1 3.47Å; H219-D250 IonicContact CE1-OD1 2.75Å; H219-D250 IonicContact CG-OD1 3.16Å; H219-D250 PolarHBondContact N-OD1 3.48Å; H219-D250 IonicContact ND1-OD1 2.72Å; H219-D250 PolarHBondContact ND1-OD1 2.61Å; P247-D250 WeakPolarHBondContact O-CB 3.43Å; P247-D250 VanDerWaalsContact O-CG 3.28Å; P247-D250 PolarHBondContact O-N 2.91Å; P247-D250 VanDerWaalsContact O-N 3.1Å; W248-D250 VanDerWaalsContact C-N 3.32Å; D250-T252 PolarHBondContact O-N 2.93Å; D250-T252 PolarHBondContact O-OG1 2.83Å
251K94Very high96.8Very high166 Ų16639.8 Ų39.872%0.72219%0.193SC*.THydrogen-bonded Turntrans62.27.1-178.7-49.8177.8-177.3178.20115.3F215 M249F215-K251 HydrophobicContact CB-CB 4.46Å; F215-K251 HydrophobicContact CB-CG 4.24Å; F215-K251 HydrophobicContact CG-CB 4.4Å; M249-K251 PolarHBondContact O-N 3.24Å
252T95.1Very high96.7Very high73 Ų7340.1 Ų40.145%0.44820%0.196SC..THydrogen-bonded Turntrans-115.4-38.5176.5-51.60000111N229 M249 D250N229-T252 PolarHBondContact ND2-O 3.36Å; M249-T252 PolarHBondContact O-N 2.92Å; M249-T252 VanDerWaalsContact O-N 3.13Å; D250-T252 PolarHBondContact O-N 2.93Å; D250-T252 PolarHBondContact O-OG1 2.83Å
253Y97.1Very high96.5Very high63 Ų6340.6 Ų40.625%0.24720%0.199CC..SBendtrans-122141.5177.6-58.9-83.3000110.2H219 N229 Y240 W248 M249 A255H219-Y253 PolarHBondContact CE1-O 2.92Å; N229-Y253 VanDerWaalsContact OD1-CE1 3.25Å; N229-Y253 WeakPolarHBondContact OD1-CE1 3.12Å; Y240-Y253 HydrophobicContact CE1-CD1 4.36Å; Y240-Y253 HydrophobicContact CE1-CG 4.28Å; Y240-Y253 WeakPolarHBondContact OH-CB 3.07Å; W248-Y253 HydrophobicContact CZ3-CE2 4.31Å; M249-Y253 HydrophobicContact CB-CD2 3.85Å; M249-Y253 HydrophobicContact CE-CD2 3.7Å; M249-Y253 HydrophobicContact CE-CE2 4.2Å; M249-Y253 HydrophobicContact CE-CG 3.96Å; M249-Y253 HydrophobicContact CG-CD2 4.06Å; M249-Y253 HydrophobicContact CG-CE2 4.43Å; M249-Y253 PolarHBondContact O-N 2.93Å; Y253-A255 PolarHBondContact O-N 2.87Å
254V98.1Very high96.3Very high0 Ų044.5 Ų44.50%022%0.217CC..  trans-78.9109.6177.2176.90000108.9T151 D212 F215 G226 M227 F256T151-V254 HydrophobicContact CG2-CG1 4.32Å; D212-V254 HydrophobicContact CB-CG2 3.68Å; F215-V254 HydrophobicContact CD1-CG2 4.47Å; F215-V254 HydrophobicContact CE1-CG2 4.07Å; G226-V254 CarbonylContact C-O 3.55Å; G226-V254 WeakPolarHBondContact CA-O 3.46Å; M227-V254 PolarHBondContact N-O 2.91Å; V254-F256 HydrophobicContact CG1-CB 4.42Å
255A98.4Very high96.4Very high1 Ų140.3 Ų40.31%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-80.2135.4160.500000109I217 T224 Y253I217-A255 HydrophobicContact CB-CB 3.89Å; I217-A255 WeakPolarHBondContact CD1-O 3.09Å; I217-A255 HydrophobicContact CG2-CB 3.59Å; T224-A255 HydrophobicContact CG2-CB 3.67Å; Y253-A255 PolarHBondContact O-N 2.87Å
256F98.6Very high96.5Very high0 Ų037 Ų370%018%0.176CC..EExtended strand (participates in β ladder)trans-1414.8-176.168.2-87.5000113.3L143 F144 C148 T151 F155 L225 G226 M227 V254L143-F256 HydrophobicContact CD2-CD2 4.23Å; L143-F256 HydrophobicContact CD2-CE2 3.93Å; F144-F256 PolarHBondContact N-O 3.46Å; C148-F256 HydrophobicContact CB-CB 3.77Å; T151-F256 HydrophobicContact CG2-CB 3.76Å; T151-F256 HydrophobicContact CG2-CD1 3.49Å; T151-F256 VanDerWaalsContact CG2-CD1 3.49Å; T151-F256 HydrophobicContact CG2-CD2 4Å; T151-F256 HydrophobicContact CG2-CE1 4.05Å; T151-F256 HydrophobicContact CG2-CE2 4.49Å; T151-F256 HydrophobicContact CG2-CG 3.47Å; T151-F256 VanDerWaalsContact CG2-CG 3.47Å; F155-F256 HydrophobicContact CB-CE2 3.57Å; F155-F256 HydrophobicContact CB-CZ 3.97Å; F155-F256 HydrophobicContact CD1-CE2 4.27Å; F155-F256 AromaticContact CD2-CE2 3.87Å; F155-F256 HydrophobicContact CD2-CE2 3.87Å; F155-F256 AromaticContact CD2-CZ 3.49Å; F155-F256 HydrophobicContact CD2-CZ 3.49Å; F155-F256 VanDerWaalsContact CD2-CZ 3.49Å; F155-F256 HydrophobicContact CE2-CZ 4.12Å; F155-F256 AromaticContact CG-CE2 3.64Å; F155-F256 HydrophobicContact CG-CE2 3.64Å; F155-F256 AromaticContact CG-CZ 3.79Å; F155-F256 HydrophobicContact CG-CZ 3.79Å; L225-F256 HydrophobicContact CD1-CZ 4.25Å; L225-F256 HydrophobicContact CD2-CD2 4.34Å; L225-F256 HydrophobicContact CD2-CE1 4.49Å; L225-F256 HydrophobicContact CD2-CE2 3.55Å; L225-F256 HydrophobicContact CD2-CZ 3.64Å; L225-F256 HydrophobicContact CG-CE1 4.03Å; L225-F256 HydrophobicContact CG-CE2 3.99Å; L225-F256 HydrophobicContact CG-CZ 3.6Å; L225-F256 PolarHBondContact O-N 3.35Å; G226-F256 VanDerWaalsContact C-CE1 3.48Å; M227-F256 HydrophobicContact CG-CD1 3.85Å; M227-F256 HydrophobicContact CG-CE1 3.63Å; M227-F256 HydrophobicContact SD-CD1 4.21Å; M227-F256 HydrophobicContact SD-CE1 3.45Å; M227-F256 WeakPolarHBondContact SD-CE1 3.34Å; M227-F256 HydrophobicContact SD-CZ 3.89Å; V254-F256 HydrophobicContact CG1-CB 4.42Å
257G98.4Very high96.4Very high0 Ų040.8 Ų40.80%019%0.192CC..EExtended strand (participates in β ladder)trans-172.1-171177.700000113.2E142 L225E142-G257 CarbonylContact O-C 3.6Å; E142-G257 WeakPolarHBondContact O-CA 3.29Å; L225-G257 PolarHBondContact N-O 3.46Å; L225-G257 PolarHBondContact O-N 3.44Å
258R98.4Very high96.4Very high61 Ų6139.1 Ų39.123%0.2318%0.177CC..EExtended strand (participates in β ladder)trans-150.3158174.464.2175.4176153.82.5112.3D48 F141 E142 F144 G223 I260D48-R258 IonicContact OD1-NH1 2.82Å; D48-R258 PolarHBondContact OD1-NH1 3.12Å; D48-R258 IonicContact OD2-CZ 3.73Å; D48-R258 IonicContact OD2-NH1 3.95Å; D48-R258 PolarHBondContact OD2-NH1 3.15Å; D48-R258 IonicContact OD2-NH2 3.65Å; F141-R258 CarbonylContact C-O 3.57Å; F141-R258 VanDerWaalsContact CA-O 3.25Å; F141-R258 WeakPolarHBondContact CA-O 3.41Å; E142-R258 HydrophobicContact CB-CG 4.2Å; E142-R258 PolarHBondContact N-O 3.04Å; E142-R258 PolarHBondContact O-N 3.16Å; E142-R258 IonicContact OE2-CZ 2.61Å; E142-R258 IonicContact OE2-NE 3.95Å; E142-R258 PolarHBondContact OE2-NE 3.37Å; E142-R258 IonicContact OE2-NH2 2.77Å; E142-R258 PolarHBondContact OE2-NH2 3.49Å; F144-R258 HydrophobicContact CE1-CG 4.16Å; F144-R258 HydrophobicContact CZ-CB 4.12Å; F144-R258 HydrophobicContact CZ-CG 3.72Å; G223-R258 CarbonylContact O-C 3.44Å; G223-R258 VanDerWaalsContact O-CA 3.29Å; G223-R258 WeakPolarHBondContact O-CA 3.29Å; R258-I260 HydrophobicContact CG-CG2 4.28Å
259V98.3Very high96.4Very high2 Ų231.9 Ų31.91%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-70.3134.9167-177.30000109.5F47 I139 C140 F141 G223 I241 E261F47-V259 HydrophobicContact CD2-CB 3.89Å; F47-V259 HydrophobicContact CD2-CG1 3.49Å; F47-V259 VanDerWaalsContact CD2-CG1 3.49Å; F47-V259 HydrophobicContact CE2-CB 3.97Å; F47-V259 HydrophobicContact CE2-CG1 3.8Å; F47-V259 HydrophobicContact CG-CB 4.37Å; F47-V259 HydrophobicContact CG-CG1 4.27Å; I139-V259 HydrophobicContact CD1-CG1 3.96Å; I139-V259 HydrophobicContact CD1-CG2 3.86Å; I139-V259 HydrophobicContact CG1-CG1 3.76Å; I139-V259 HydrophobicContact CG1-CG2 4.31Å; C140-V259 WeakPolarHBondContact O-CA 3.22Å; F141-V259 HydrophobicContact CD1-CG2 3.95Å; F141-V259 HydrophobicContact CE1-CG2 3.62Å; G223-V259 PolarHBondContact O-N 2.86Å; I241-V259 HydrophobicContact CG2-CG2 3.61Å; V259-E261 VanDerWaalsContact CG1-O 3.3Å; V259-E261 WeakPolarHBondContact CG1-O 3.21Å
260I97.3Very high96.4Very high1 Ų133.6 Ų33.61%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-117-26.6175.758.5162.3000113.5L45 E46 F47 L117 F124 C140 E142 R258L45-I260 HydrophobicContact CB-CB 4.43Å; L45-I260 HydrophobicContact CD1-CB 3.87Å; L45-I260 HydrophobicContact CD1-CG2 3.66Å; E46-I260 PolarHBondContact N-O 3.36Å; F47-I260 PolarHBondContact N-O 3.03Å; F47-I260 VanDerWaalsContact N-O 3.11Å; L117-I260 HydrophobicContact CD2-CD1 4.31Å; F124-I260 HydrophobicContact CD1-CD1 3.64Å; F124-I260 HydrophobicContact CE1-CD1 4.01Å; C140-I260 HydrophobicContact CB-CD1 4.17Å; C140-I260 HydrophobicContact CB-CG1 3.74Å; C140-I260 WeakPolarHBondContact O-CG1 3.48Å; C140-I260 PolarHBondContact O-N 2.51Å; E142-I260 HydrophobicContact CB-CG2 3.68Å; R258-I260 HydrophobicContact CG-CG2 4.28Å
261E96.2Very high96.4Very high15 Ų1537.3 Ų37.37%0.0717%0.173CC..EExtended strand (participates in β ladder)trans-142.5156.8176-56.2-175153.100110.4K14 E46 Y113 I139 C140 V259K14-E261 WeakPolarHBondContact CD-OE1 3.43Å; K14-E261 IonicContact NZ-OE1 3.84Å; K14-E261 PolarHBondContact NZ-OE1 2.91Å; K14-E261 IonicContact NZ-OE2 3.99Å; K14-E261 PolarHBondContact NZ-OE2 3.38Å; E46-E261 HydrophobicContact CB-CG 4.41Å; E46-E261 VanDerWaalsContact OE2-CA 3.28Å; E46-E261 WeakPolarHBondContact OE2-CA 3.41Å; E46-E261 WeakPolarHBondContact OE2-CB 3.18Å; Y113-E261 PolarHBondContact OH-OE1 3.16Å; I139-E261 WeakPolarHBondContact CA-O 3.18Å; I139-E261 WeakPolarHBondContact CG1-O 3.27Å; C140-E261 HydrophobicContact CB-CB 3.82Å; C140-E261 HydrophobicContact CB-CG 4.17Å; C140-E261 PolarHBondContact N-O 2.67Å; C140-E261 PolarHBondContact SG-OE2 3.37Å; V259-E261 VanDerWaalsContact CG1-O 3.3Å; V259-E261 WeakPolarHBondContact CG1-O 3.21Å
262G95.9Very high96.4Very high7 Ų730.2 Ų30.27%0.07214%0.144CC..  trans9538178.200000114E46 R138 E264 V265 L266E46-G262 PolarHBondContact OE1-N 3.43Å; E46-G262 PolarHBondContact OE2-N 2.77Å; R138-G262 WeakPolarHBondContact O-CA 3.26Å; G262-E264 PolarHBondContact O-N 3.17Å; G262-V265 WeakPolarHBondContact O-CB 3.22Å; G262-V265 PolarHBondContact O-N 2.96Å; G262-L266 PolarHBondContact O-N 3.09Å; G262-L266 VanDerWaalsContact O-N 3.16Å
263V93.8Very high96.4Very high9 Ų933.3 Ų33.36%0.05515%0.152CC..Hα-helixtrans-54.4-43177.21750000110.7E46 F47 H50 V265 L266 K267E46-V263 HydrophobicContact CG-CG2 4.21Å; E46-V263 WeakPolarHBondContact OE1-CB 3.36Å; E46-V263 WeakPolarHBondContact OE1-CG2 3.34Å; E46-V263 PolarHBondContact OE1-N 3.49Å; F47-V263 HydrophobicContact CB-CG2 4.41Å; F47-V263 HydrophobicContact CD2-CG2 3.53Å; F47-V263 HydrophobicContact CE2-CG2 4.07Å; F47-V263 HydrophobicContact CG-CG2 4.23Å; H50-V263 HydrophobicContact CB-CG1 4.43Å; H50-V263 HydrophobicContact CB-CG2 4.07Å; V263-V265 VanDerWaalsContact C-N 3.31Å; V263-V265 PolarHBondContact O-N 2.76Å; V263-L266 PolarHBondContact O-N 3.35Å; V263-K267 WeakPolarHBondContact O-CB 3.4Å; V263-K267 PolarHBondContact O-N 2.79Å
264E93.4Very high96.3Very high87 Ų8732.3 Ų32.341%0.40715%0.152SC..Hα-helixtrans-65-32.2178.9-69.5-59.212500113G262 K268G262-E264 PolarHBondContact O-N 3.17Å; E264-K268 WeakPolarHBondContact O-CB 3.47Å; E264-K268 VanDerWaalsContact O-CG 3.32Å; E264-K268 WeakPolarHBondContact O-CG 3.42Å; E264-K268 PolarHBondContact O-N 2.67Å
265V96.6Very high96.2Very high4 Ų435.6 Ų35.62%0.02418%0.175CC..Hα-helixtrans-67.6-48.6175.4-177.20000109.9V129 R137 R138 I139 G262 V263 K267 K268 L269V129-V265 HydrophobicContact CB-CG1 3.81Å; V129-V265 HydrophobicContact CG1-CG1 4.29Å; V129-V265 HydrophobicContact CG2-CG1 4.08Å; R137-V265 HydrophobicContact CB-CG2 3.42Å; R137-V265 VanDerWaalsContact CB-CG2 3.42Å; R138-V265 WeakPolarHBondContact O-CG2 3.47Å; I139-V265 HydrophobicContact CB-CB 4.35Å; I139-V265 HydrophobicContact CB-CG1 4.37Å; G262-V265 WeakPolarHBondContact O-CB 3.22Å; G262-V265 PolarHBondContact O-N 2.96Å; V263-V265 VanDerWaalsContact C-N 3.31Å; V263-V265 PolarHBondContact O-N 2.76Å; V265-K267 VanDerWaalsContact C-N 3.29Å; V265-K267 PolarHBondContact O-N 3.3Å; V265-K268 PolarHBondContact O-N 2.67Å; V265-L269 HydrophobicContact CG1-CD1 4.26Å; V265-L269 WeakPolarHBondContact O-CG 3.36Å; V265-L269 PolarHBondContact O-N 3.25Å
266L96.3Very high96Very high0 Ų043.1 Ų43.10%022%0.215CC..Hα-helixtrans-62.5-39179.1-173.160.8000111.6F47 I139 V188 I241 L243 G262 V263 L269 E270F47-L266 HydrophobicContact CE2-CD2 3.9Å; F47-L266 HydrophobicContact CZ-CD2 4.03Å; I139-L266 HydrophobicContact CD1-CB 4.38Å; V188-L266 HydrophobicContact CG2-CD1 3.72Å; I241-L266 HydrophobicContact CB-CD1 4.15Å; I241-L266 HydrophobicContact CD1-CD1 4.47Å; I241-L266 HydrophobicContact CG2-CD1 3.74Å; I241-L266 HydrophobicContact CG2-CD2 3.96Å; L243-L266 HydrophobicContact CD2-CD1 3.63Å; L243-L266 HydrophobicContact CD2-CD2 4.26Å; L243-L266 HydrophobicContact CD2-CG 3.75Å; G262-L266 PolarHBondContact O-N 3.09Å; G262-L266 VanDerWaalsContact O-N 3.16Å; V263-L266 PolarHBondContact O-N 3.35Å; L266-L269 PolarHBondContact O-N 2.75Å; L266-E270 WeakPolarHBondContact O-CB 3.11Å; L266-E270 PolarHBondContact O-N 2.93Å
267K94.8Very high95.9Very high84 Ų8446.6 Ų46.637%0.36523%0.231SC..Hα-helixtrans-62.8-47.3174.4-177.9-179172.5-170.70112.2V263 V265 L269 E270 E271V263-K267 WeakPolarHBondContact O-CB 3.4Å; V263-K267 PolarHBondContact O-N 2.79Å; V265-K267 VanDerWaalsContact C-N 3.29Å; V265-K267 PolarHBondContact O-N 3.3Å; K267-L269 VanDerWaalsContact C-N 3.32Å; K267-L269 PolarHBondContact O-N 2.88Å; K267-E270 WeakPolarHBondContact O-CB 3.23Å; K267-E270 PolarHBondContact O-N 3.14Å; K267-E271 WeakPolarHBondContact CE-OE1 3.25Å; K267-E271 HydrophobicContact CG-CG 4.43Å; K267-E271 WeakPolarHBondContact CG-OE1 3.34Å; K267-E271 WeakPolarHBondContact O-CB 3.3Å; K267-E271 WeakPolarHBondContact O-CG 3.47Å; K267-E271 PolarHBondContact O-N 2.98Å
268K95.6Very high95.7Very high43 Ų4351.4 Ų51.419%0.18725%0.249CC..Hα-helixtrans-62.2-38.9176.6-76.7-176.5178.7-167.10112.8V131 E134 E264 V265 E271 S272V131-K268 HydrophobicContact CG1-CB 4.36Å; E134-K268 IonicContact OE2-NZ 2.69Å; E134-K268 PolarHBondContact OE2-NZ 2.92Å; E264-K268 WeakPolarHBondContact O-CB 3.47Å; E264-K268 VanDerWaalsContact O-CG 3.32Å; E264-K268 WeakPolarHBondContact O-CG 3.42Å; E264-K268 PolarHBondContact O-N 2.67Å; V265-K268 PolarHBondContact O-N 2.67Å; K268-E271 PolarHBondContact O-N 3.09Å; K268-S272 PolarHBondContact O-N 2.78Å; K268-S272 VanDerWaalsContact O-N 3.16Å; K268-S272 PolarHBondContact O-OG 3.41Å
269L96.7Very high95.6Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-61.1-49.5172.6-71.9170.3000110.2V129 V131 F179 I182 V188 V265 L266 K267 E271 S272 C283V129-L269 HydrophobicContact CG1-CD2 4.37Å; V131-L269 HydrophobicContact CG2-CD2 3.78Å; V131-L269 HydrophobicContact CG2-CG 4.11Å; F179-L269 HydrophobicContact CB-CD2 4.26Å; F179-L269 HydrophobicContact CD1-CD1 4.24Å; F179-L269 HydrophobicContact CD2-CD1 4.37Å; F179-L269 HydrophobicContact CD2-CD2 4.1Å; F179-L269 HydrophobicContact CE1-CD1 4.1Å; F179-L269 HydrophobicContact CE2-CD1 4.25Å; F179-L269 HydrophobicContact CG-CD1 4.36Å; F179-L269 HydrophobicContact CG-CD2 4.09Å; F179-L269 HydrophobicContact CZ-CD1 4.11Å; I182-L269 HydrophobicContact CD1-CB 4.37Å; I182-L269 HydrophobicContact CD1-CD2 4.42Å; I182-L269 WeakPolarHBondContact CD1-O 3.4Å; V188-L269 HydrophobicContact CG1-CB 4.06Å; V188-L269 HydrophobicContact CG2-CD1 4.38Å; V265-L269 HydrophobicContact CG1-CD1 4.26Å; V265-L269 WeakPolarHBondContact O-CG 3.36Å; V265-L269 PolarHBondContact O-N 3.25Å; L266-L269 PolarHBondContact O-N 2.75Å; K267-L269 VanDerWaalsContact C-N 3.32Å; K267-L269 PolarHBondContact O-N 2.88Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 2.97Å; L269-S272 WeakPolarHBondContact O-CB 3.49Å; L269-S272 PolarHBondContact O-N 3.36Å; L269-S272 VanDerWaalsContact O-N 3.11Å; L269-S272 PolarHBondContact O-OG 3.28Å; L269-C283 HydrophobicContact CD2-CB 3.67Å
270E95.9Very high95.5Very high39 Ų3955.8 Ų55.818%0.18227%0.272CS..Hα-helixtrans-58.6-40.3177.4174.2168.2-139.400113.8R222 L243 L266 K267 S272R222-E270 IonicContact CZ-OE2 3.8Å; R222-E270 IonicContact NH1-OE1 2.72Å; R222-E270 PolarHBondContact NH1-OE1 3.36Å; R222-E270 IonicContact NH1-OE2 3.16Å; R222-E270 PolarHBondContact NH1-OE2 3.35Å; R222-E270 IonicContact NH2-OE2 2.74Å; R222-E270 PolarHBondContact NH2-OE2 3.16Å; L243-E270 HydrophobicContact CD1-CB 3.84Å; L243-E270 HydrophobicContact CD1-CG 3.78Å; L243-E270 HydrophobicContact CD2-CB 3.87Å; L243-E270 HydrophobicContact CD2-CG 4.34Å; L243-E270 HydrophobicContact CG-CB 4.47Å; L266-E270 WeakPolarHBondContact O-CB 3.11Å; L266-E270 PolarHBondContact O-N 2.93Å; K267-E270 WeakPolarHBondContact O-CB 3.23Å; K267-E270 PolarHBondContact O-N 3.14Å; E270-S272 PolarHBondContact O-N 2.78Å
271E95Very high95.3Very high128 Ų12861.9 Ų61.960%0.59830%0.296SS*.THydrogen-bonded Turntrans-77.3-6.7179.4-69.4173.9174.900113.2K267 K268 L269 K273K267-E271 WeakPolarHBondContact CE-OE1 3.25Å; K267-E271 HydrophobicContact CG-CG 4.43Å; K267-E271 WeakPolarHBondContact CG-OE1 3.34Å; K267-E271 WeakPolarHBondContact O-CB 3.3Å; K267-E271 WeakPolarHBondContact O-CG 3.47Å; K267-E271 PolarHBondContact O-N 2.98Å; K268-E271 PolarHBondContact O-N 3.09Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 2.97Å; E271-K273 PolarHBondContact O-N 2.84Å
272S94.6Very high95.2Very high17 Ų1765.5 Ų65.512%0.11931%0.313CS..SBendtrans-63.8130.4-178.9-70.40000111.3K268 L269 E270 T274K268-S272 PolarHBondContact O-N 2.78Å; K268-S272 VanDerWaalsContact O-N 3.16Å; K268-S272 PolarHBondContact O-OG 3.41Å; L269-S272 WeakPolarHBondContact O-CB 3.49Å; L269-S272 PolarHBondContact O-N 3.36Å; L269-S272 VanDerWaalsContact O-N 3.11Å; L269-S272 PolarHBondContact O-OG 3.28Å; E270-S272 PolarHBondContact O-N 2.78Å; S272-T274 WeakPolarHBondContact O-CG2 3.38Å; S272-T274 PolarHBondContact O-N 3.23Å
273K95.5Very high95.2Very high139 Ų13965.3 Ų65.360%0.60431%0.31SS*.  trans-63.4128.7177.3-65-178.3-177.5173.50110.1E271 K280E271-K273 PolarHBondContact O-N 2.84Å; K273-K280 HydrophobicContact CB-CD 4.17Å; K273-K280 WeakPolarHBondContact O-CB 3.48Å; K273-K280 WeakPolarHBondContact O-CG 3.35Å; K273-K280 PolarHBondContact O-N 3.44Å
274T95.4Very high95.4Very high42 Ų4268.7 Ų68.726%0.25832%0.322SS..EExtended strand (participates in β ladder)trans-113.8163.6179.362.50000113.2I182 S272 R278 K280I182-T274 HydrophobicContact CB-CG2 3.89Å; I182-T274 HydrophobicContact CG2-CG2 4.18Å; S272-T274 WeakPolarHBondContact O-CG2 3.38Å; S272-T274 PolarHBondContact O-N 3.23Å; T274-R278 CarbonylContact C-O 3.56Å; T274-R278 WeakPolarHBondContact CA-O 3.48Å; T274-R278 WeakPolarHBondContact CB-O 3.46Å; T274-K280 WeakPolarHBondContact O-CE 3.28Å
275S95.8Very high95.6Very high69 Ų6964.6 Ų64.648%0.48330%0.303SS..EExtended strand (participates in β ladder)trans-135.3113.3166.2-177.90000107.5E277 R278S275-E277 VanDerWaalsContact C-N 3.32Å; S275-E277 PolarHBondContact O-N 3.36Å; S275-R278 PolarHBondContact N-O 3.1Å; S275-R278 WeakPolarHBondContact O-CB 3.49Å; S275-R278 PolarHBondContact O-N 3.38Å; S275-R278 VanDerWaalsContact O-N 3.12Å
276N93.5Very high95.7Very high159 Ų15966 Ų6685%0.8531%0.314SS*.THydrogen-bonded Turntrans5152.3-169.8-57.9-29.1000111.6R278N276-R278 PolarHBondContact O-N 3.14Å
277E96.2Very high95.8Very high72 Ų7267.5 Ų67.534%0.33633%0.326SS..THydrogen-bonded Turntrans64-5.6-178.3-53.2170.6165.700114.7R181 I182 V183 S275R181-E277 CarbonylContact C-O 3.5Å; R181-E277 WeakPolarHBondContact CA-O 3.39Å; R181-E277 HydrophobicContact CG-CB 3.96Å; R181-E277 IonicContact CZ-OE2 3.72Å; R181-E277 IonicContact NE-OE2 2.77Å; R181-E277 PolarHBondContact NE-OE2 2.99Å; R181-E277 IonicContact NH2-OE1 3.61Å; R181-E277 IonicContact NH2-OE2 3.7Å; R181-E277 PolarHBondContact NH2-OE2 3.21Å; I182-E277 PolarHBondContact N-O 3.13Å; I182-E277 WeakPolarHBondContact O-CA 3.4Å; V183-E277 HydrophobicContact CG2-CB 4.42Å; V183-E277 HydrophobicContact CG2-CG 4.17Å; S275-E277 VanDerWaalsContact C-N 3.32Å; S275-E277 PolarHBondContact O-N 3.36Å
278R95.6Very high95.9Very high101 Ų10164.4 Ų64.438%0.38131%0.314SS..EExtended strand (participates in β ladder)trans-85.2128.5176-170.3166.3-174.3154.86.1110.9T274 S275 N276 K280T274-R278 CarbonylContact C-O 3.56Å; T274-R278 WeakPolarHBondContact CA-O 3.48Å; T274-R278 WeakPolarHBondContact CB-O 3.46Å; S275-R278 PolarHBondContact N-O 3.1Å; S275-R278 WeakPolarHBondContact O-CB 3.49Å; S275-R278 PolarHBondContact O-N 3.38Å; S275-R278 VanDerWaalsContact O-N 3.12Å; N276-R278 PolarHBondContact O-N 3.14Å; R278-K280 PolarHBondContact O-N 3.41Å
279P95.4Very high96.1Very high21 Ų2162.7 Ų62.714%0.13631%0.309CS..EExtended strand (participates in β ladder)trans-57.7134.7175.3-28.439.1000112.1F179 H180 I182 Y281F179-P279 WeakPolarHBondContact O-CG 3.28Å; H180-P279 WeakPolarHBondContact O-CD 3.24Å; I182-P279 HydrophobicContact CB-CG 4.33Å; I182-P279 HydrophobicContact CD1-CB 4.37Å; I182-P279 HydrophobicContact CD1-CG 3.46Å; I182-P279 VanDerWaalsContact CD1-CG 3.46Å; I182-P279 HydrophobicContact CG1-CG 3.65Å; P279-Y281 VanDerWaalsContact C-N 3.3Å; P279-Y281 VanDerWaalsContact CB-O 3.23Å; P279-Y281 WeakPolarHBondContact CB-O 3.37Å
280K95.7Very high96.1Very high135 Ų13566 Ų6659%0.58733%0.329SS*.SBendtrans-73.3-27175.4-71.3-171.4177.5-176.50112.4K273 T274 R278K273-K280 HydrophobicContact CB-CD 4.17Å; K273-K280 WeakPolarHBondContact O-CB 3.48Å; K273-K280 WeakPolarHBondContact O-CG 3.35Å; K273-K280 PolarHBondContact O-N 3.44Å; T274-K280 WeakPolarHBondContact O-CE 3.28Å; R278-K280 PolarHBondContact O-N 3.41Å
281Y93.8Very high96Very high129 Ų12964.5 Ų64.551%0.50632%0.322SS..SBendtrans-112.7149.8174.3-52.4-76000109A132 P279 C283A132-Y281 HydrophobicContact CB-CD2 4.47Å; A132-Y281 HydrophobicContact CB-CG 4.11Å; P279-Y281 VanDerWaalsContact C-N 3.3Å; P279-Y281 VanDerWaalsContact CB-O 3.23Å; P279-Y281 WeakPolarHBondContact CB-O 3.37Å; Y281-C283 PolarHBondContact O-N 3.46Å
282E93.8Very high95.4Very high91 Ų9163.2 Ų63.243%0.42533%0.325SS..  trans-66.1133.2-179.2-168.9-179.763.200111.2A132 L178 R284A132-E282 PolarHBondContact N-O 2.63Å; L178-E282 HydrophobicContact CD2-CG 3.69Å; E282-R284 HydrophobicContact CG-CB 4.29Å; E282-R284 IonicContact OE1-CZ 2.67Å; E282-R284 IonicContact OE1-NH1 2.78Å; E282-R284 PolarHBondContact OE1-NH1 3.06Å; E282-R284 IonicContact OE1-NH2 2.67Å; E282-R284 PolarHBondContact OE1-NH2 2.92Å; E282-R284 IonicContact OE2-CZ 2.88Å; E282-R284 IonicContact OE2-NH1 2.93Å; E282-R284 PolarHBondContact OE2-NH1 2.61Å
283C96.4Very high94.6Very high2 Ų267.6 Ų67.61%0.01435%0.345CS..EExtended strand (participates in β ladder)trans-123.6102.8173.9-62.20000106.7V130 L178 F179 L269 Y281V130-C283 CarbonylContact O-C 3.55Å; V130-C283 VanDerWaalsContact O-CA 3.31Å; V130-C283 WeakPolarHBondContact O-CA 3.31Å; L178-C283 CarbonylContact C-O 3.58Å; L178-C283 WeakPolarHBondContact CA-O 3.45Å; F179-C283 HydrophobicContact CB-CB 3.86Å; F179-C283 HydrophobicContact CD2-CB 4.4Å; F179-C283 PolarHBondContact N-O 3.26Å; L269-C283 HydrophobicContact CD2-CB 3.67Å; Y281-C283 PolarHBondContact O-N 3.46Å
284R96.7Very high94.5Very high80 Ų8064 Ų6430%0.30233%0.332SS..EExtended strand (participates in β ladder)trans-124.3143.3-168.1174.1173.451.4-118.1-20111.8V129 V130 S177 L178 E282 S286V129-R284 CarbonylContact C-O 3.47Å; V129-R284 WeakPolarHBondContact CA-O 3.39Å; V130-R284 PolarHBondContact N-O 3.31Å; V130-R284 PolarHBondContact O-N 3.4Å; S177-R284 WeakPolarHBondContact O-CA 3.35Å; L178-R284 HydrophobicContact CD2-CB 3.67Å; L178-R284 HydrophobicContact CD2-CG 4.1Å; E282-R284 HydrophobicContact CG-CB 4.29Å; E282-R284 IonicContact OE1-CZ 2.67Å; E282-R284 IonicContact OE1-NH1 2.78Å; E282-R284 PolarHBondContact OE1-NH1 3.06Å; E282-R284 IonicContact OE1-NH2 2.67Å; E282-R284 PolarHBondContact OE1-NH2 2.92Å; E282-R284 IonicContact OE2-CZ 2.88Å; E282-R284 IonicContact OE2-NH1 2.93Å; E282-R284 PolarHBondContact OE2-NH1 2.61Å; R284-S286 PolarHBondContact O-N 3.3Å
285V98.2Very high94.5Very high1 Ų165.2 Ų65.21%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-75108.4165.3-179.40000109.3L127 D128 Y174 G176 S177 F179 A287 C288L127-V285 HydrophobicContact CB-CG1 4.24Å; L127-V285 HydrophobicContact CB-CG2 4.49Å; L127-V285 HydrophobicContact CD1-CG2 4.25Å; L127-V285 HydrophobicContact CD2-CG1 4.05Å; D128-V285 CarbonylContact O-C 3.24Å; D128-V285 WeakPolarHBondContact O-CA 3.47Å; Y174-V285 WeakPolarHBondContact O-CB 3.38Å; G176-V285 WeakPolarHBondContact CA-O 3.49Å; G176-V285 PolarHBondContact N-O 3.3Å; S177-V285 PolarHBondContact O-N 3.22Å; F179-V285 HydrophobicContact CE2-CG2 4.03Å; V285-A287 WeakPolarHBondContact CG1-O 3.05Å; V285-C288 HydrophobicContact CG1-CB 3.99Å
286S98Very high94.4Very high35 Ų3564.9 Ų64.925%0.24533%0.327CS..EExtended strand (participates in β ladder)trans-84.3-31.6178.953.70000113.3D128 K175 R284D128-S286 PolarHBondContact O-N 2.82Å; D128-S286 PolarHBondContact O-OG 3Å; D128-S286 VanDerWaalsContact O-OG 3.09Å; K175-S286 WeakPolarHBondContact CE-O 3.32Å; R284-S286 PolarHBondContact O-N 3.3Å
287A98.4Very high94.5Very high31 Ų3159.4 Ų59.426%0.25630%0.297SS..EExtended strand (participates in β ladder)trans-150.6157.4173.700000109.6L127 D128 V285L127-A287 CarbonylContact C-O 3.18Å; D128-A287 HydrophobicContact CB-CB 4.05Å; D128-A287 PolarHBondContact N-O 3.15Å; D128-A287 PolarHBondContact O-N 3.48Å; V285-A287 WeakPolarHBondContact CG1-O 3.05Å
288C98.6Very high94.4Very high18 Ų1858.6 Ų58.612%0.12229%0.294CS..EExtended strand (participates in β ladder)trans-158.6163.1177.449.20000110F126 L127 C159 H173 K175 V285F126-C288 VanDerWaalsContact O-CA 3.23Å; F126-C288 WeakPolarHBondContact O-CA 3.36Å; F126-C288 WeakPolarHBondContact O-CB 3.07Å; L127-C288 HydrophobicContact CD2-CB 3.39Å; C159-C288 HydrophobicContact CB-CB 4.41Å; C159-C288 CarbonylContact O-C 3.53Å; C159-C288 VanDerWaalsContact O-C 3.24Å; C159-C288 PolarHBondContact O-SG 3.24Å; H173-C288 VanDerWaalsContact CD2-SG 3.56Å; H173-C288 PolarHBondContact NE2-SG 3.16Å; H173-C288 VanDerWaalsContact NE2-SG 3.37Å; K175-C288 PolarHBondContact N-SG 3.18Å; K175-C288 VanDerWaalsContact N-SG 3.38Å; V285-C288 HydrophobicContact CG1-CB 3.99Å
289G98.5Very high94.3Very high8 Ų855.8 Ų55.88%0.08229%0.288CS..EExtended strand (participates in β ladder)trans167-168.2177.500000112.5V125 F126 C159V125-G289 CarbonylContact C-O 3.38Å; V125-G289 VanDerWaalsContact CA-O 3.26Å; V125-G289 WeakPolarHBondContact CA-O 3.32Å; V125-G289 WeakPolarHBondContact CB-O 3.32Å; F126-G289 WeakPolarHBondContact CD1-O 3.36Å; F126-G289 PolarHBondContact N-O 3.42Å; F126-G289 PolarHBondContact O-N 2.88Å; F126-G289 VanDerWaalsContact O-N 3.17Å; C159-G289 WeakPolarHBondContact O-CA 3.44Å; C159-G289 PolarHBondContact O-N 3.04Å
290V97.8Very high94.2Very high68 Ų6858.3 Ų58.341%0.41230%0.299SS..EExtended strand (participates in β ladder)trans-75139.4170.8179.40000109.1F124 F126 E156 T160 P292F124-V290 WeakPolarHBondContact O-CG1 3.21Å; F126-V290 WeakPolarHBondContact CE1-O 3.31Å; E156-V290 HydrophobicContact CG-CG2 4.04Å; T160-V290 HydrophobicContact CG2-CG2 3.66Å; V290-P292 WeakPolarHBondContact O-CD 3.43Å
291L93.6Very high94.1Very high9 Ų952.4 Ų52.45%0.04728%0.277CS..PPolyproline II helixtrans-69.6120.6173.3-17171000108.4Y113 L117 F124 M293Y113-L291 HydrophobicContact CE1-CD2 4.32Å; L117-L291 HydrophobicContact CD1-CD2 3.76Å; F124-L291 HydrophobicContact CB-CB 3.82Å; F124-L291 HydrophobicContact CB-CD2 4.07Å; F124-L291 PolarHBondContact O-N 3.41Å; L291-M293 PolarHBondContact O-N 2.92Å
292P82.9Confident94.1Very high100 Ų10046 Ų4665%0.64926%0.258SS*.PPolyproline II helixtrans-63.7137.4175.625.8-31.6000109.6V290V290-P292 WeakPolarHBondContact O-CD 3.43Å
293M76.6Confident94.2Very high109 Ų10941.9 Ų41.954%0.53724%0.243SC..  trans-112.90-178.4-59-81.4-83.900109.4A114 L117 Q118 F124 L291A114-M293 WeakPolarHBondContact CB-OXT 3.48Å; L117-M293 HydrophobicContact CB-CE 3.26Å; L117-M293 HydrophobicContact CB-SD 3.67Å; L117-M293 HydrophobicContact CD1-CE 4.39Å; L117-M293 HydrophobicContact CD1-SD 3.66Å; L117-M293 HydrophobicContact CG-CE 4.47Å; L117-M293 HydrophobicContact CG-SD 4.32Å; Q118-M293 HydrophobicContact CB-CE 4.14Å; Q118-M293 HydrophobicContact CG-CE 3.41Å; Q118-M293 VanDerWaalsContact CG-CE 3.41Å; Q118-M293 VanDerWaalsContact N-CE 3.26Å; F124-M293 HydrophobicContact CD2-CE 4.12Å; F124-M293 HydrophobicContact CD2-SD 4.24Å; F124-M293 HydrophobicContact CE2-CE 4.32Å; L291-M293 PolarHBondContact O-N 2.92Å

Retrieved 293 of 293 residues in 380 ms (Link to these results)

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