A0A077YZ83_TRITR Loading...

Large ribosomal subunit protein bL28m

AlphaFold DB , UniProt , Accession A0A077YZ83, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 278 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
1M49Very low69.2Low243 Ų243120.5 Ų120.5100%1.19759%0.593SS**  0120.30-63.6179.9-166.700107.7I3M1-I3 PolarHBondContact O-N 3.28Å
2S67.2Low70.4Confident117 Ų117128.4 Ų128.482%0.81861%0.612SS**PPolyproline II helixtrans-73.5124.1176.350.80000109.6P4S2-P4 WeakPolarHBondContact O-CD 3.42Å
3I68.1Low71.6Confident143 Ų143125.3 Ų125.373%0.73360%0.601SS**PPolyproline II helixtrans-61.1122.8171.9-56.8166.2000107.1M1 R5M1-I3 PolarHBondContact O-N 3.28Å; I3-R5 PolarHBondContact O-N 2.79Å
4P69.2Low72.7Confident74 Ų74118.1 Ų118.148%0.48157%0.565SS.*PPolyproline II helixtrans-58127.6174.219.9-27.6000108.9S2 L62S2-P4 WeakPolarHBondContact O-CD 3.42Å; P4-L62 HydrophobicContact CB-CD1 4.35Å; P4-L62 HydrophobicContact CG-CD1 4.03Å; P4-L62 WeakPolarHBondContact O-CD1 3.33Å; P4-L62 WeakPolarHBondContact O-CD2 3.47Å
5R70.5Confident73.9Confident227 Ų227112.3 Ų112.386%0.85755%0.545SS*.PPolyproline II helixtrans-94.2144.2177.5-67.5-175.3178.1-177-0.8109.3I3 R7I3-R5 PolarHBondContact O-N 2.79Å; R5-R7 PolarHBondContact O-N 3.01Å
6Q68.7Low75Confident67 Ų67110.5 Ų110.531%0.31354%0.535SS..PPolyproline II helixtrans-61135.5174.9-79.3177-24.900107.1F8 F59 T60 D61 L62Q6-F8 PolarHBondContact O-N 3.3Å; Q6-F8 VanDerWaalsContact O-N 3.12Å; Q6-F59 PolarHBondContact NE2-O 2.94Å; Q6-T60 PolarHBondContact NE2-O 3.01Å; Q6-D61 VanDerWaalsContact NE2-C 3.32Å; Q6-D61 PolarHBondContact NE2-O 3.45Å; Q6-L62 HydrophobicContact CB-CD2 3.88Å; Q6-L62 HydrophobicContact CG-CB 4.35Å; Q6-L62 HydrophobicContact CG-CD2 3.28Å; Q6-L62 HydrophobicContact CG-CG 3.81Å
7R70Confident76Confident175 Ų175107.9 Ų107.966%0.6652%0.518SS*.PPolyproline II helixtrans-61119.6169.8-77177.6173.5177.9-1.8108.3R5 V9 E74R5-R7 PolarHBondContact O-N 3.01Å; R7-V9 PolarHBondContact O-N 2.93Å; R7-V9 VanDerWaalsContact O-N 3.09Å; R7-E74 WeakPolarHBondContact CB-OE1 3.34Å; R7-E74 WeakPolarHBondContact CD-OE1 3.31Å; R7-E74 WeakPolarHBondContact CG-OE1 3.46Å; R7-E74 IonicContact NE-OE2 2.99Å; R7-E74 IonicContact NH1-OE2 2.83Å
8F69.5Low77Confident138 Ų138103.9 Ų103.961%0.60550%0.5SS*.  trans-73.3102.6170.9-174.4-102.2000107.9Q6 V10Q6-F8 PolarHBondContact O-N 3.3Å; Q6-F8 VanDerWaalsContact O-N 3.12Å; F8-V10 HydrophobicContact CD1-CG2 3.95Å; F8-V10 HydrophobicContact CE1-CG2 3.83Å; F8-V10 PolarHBondContact O-N 3.33Å
9V71.9Confident77.9Confident42 Ų42104.5 Ų104.526%0.25551%0.506SS..  trans-82.4114.7174.9-178.10000107.9R7 T11 E76 Y78R7-V9 PolarHBondContact O-N 2.93Å; R7-V9 VanDerWaalsContact O-N 3.09Å; V9-T11 PolarHBondContact O-N 3.42Å; V9-E76 HydrophobicContact CG2-CB 4.23Å; V9-E76 HydrophobicContact CG2-CG 4.09Å; V9-Y78 HydrophobicContact CG1-CE1 3.78Å
10V77.4Confident78.7Confident67 Ų67107.4 Ų107.441%0.40651%0.511SS..  trans-76.1121167.4-174.80000106.8F8 K14 A15F8-V10 HydrophobicContact CD1-CG2 3.95Å; F8-V10 HydrophobicContact CE1-CG2 3.83Å; F8-V10 PolarHBondContact O-N 3.33Å; V10-K14 HydrophobicContact CG1-CB 4.06Å; V10-K14 HydrophobicContact CG1-CD 4.46Å; V10-K14 HydrophobicContact CG1-CG 4.23Å; V10-A15 HydrophobicContact CG1-CB 3.95Å
11T79.7Confident79.4Confident32 Ų32103.1 Ų103.120%0.19649%0.491CS..  trans-62147.3172.755.10000110.3V9 D13 K14 A15 P79V9-T11 PolarHBondContact O-N 3.42Å; T11-D13 PolarHBondContact O-N 3.44Å; T11-K14 PolarHBondContact O-N 2.97Å; T11-K14 VanDerWaalsContact O-N 3.07Å; T11-K14 VanDerWaalsContact OG1-CB 3.24Å; T11-K14 WeakPolarHBondContact OG1-CB 3.26Å; T11-K14 PolarHBondContact OG1-N 3.45Å; T11-A15 PolarHBondContact O-N 2.94Å; T11-P79 VanDerWaalsContact CG2-CD 3.44Å; T11-P79 HydrophobicContact CG2-CG 3.54Å
12W83.8Confident81.6Confident216 Ų21695.4 Ų95.482%0.81845%0.454SS*.Hα-helixtrans-52.8-40.7173.9-79.6103.6000112.1A15 E16W12-A15 PolarHBondContact O-N 3.21Å; W12-E16 WeakPolarHBondContact O-CB 3.21Å; W12-E16 WeakPolarHBondContact O-CG 3.34Å; W12-E16 PolarHBondContact O-N 3.25Å
13D85.4Confident82.9Confident88 Ų8894.4 Ų94.447%0.47144%0.439SS..Hα-helixtrans-60.1-47.6175.6-177.774.6000112.6T11 A15 E16 R17T11-D13 PolarHBondContact O-N 3.44Å; D13-A15 VanDerWaalsContact C-N 3.35Å; D13-A15 PolarHBondContact O-N 3.49Å; D13-E16 PolarHBondContact O-N 3.4Å; D13-R17 VanDerWaalsContact O-CB 3.26Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 PolarHBondContact O-N 3.22Å
14K87.8Confident84Confident24 Ų2491 Ų9110%0.10442%0.422CS..Hα-helixtrans-64-41.4176.9-173.4172.4-172.9175.10111.4V10 T11 R17 L18 L48 N50V10-K14 HydrophobicContact CG1-CB 4.06Å; V10-K14 HydrophobicContact CG1-CD 4.46Å; V10-K14 HydrophobicContact CG1-CG 4.23Å; T11-K14 PolarHBondContact O-N 2.97Å; T11-K14 VanDerWaalsContact O-N 3.07Å; T11-K14 VanDerWaalsContact OG1-CB 3.24Å; T11-K14 WeakPolarHBondContact OG1-CB 3.26Å; T11-K14 PolarHBondContact OG1-N 3.45Å; K14-R17 PolarHBondContact O-N 3.01Å; K14-L18 HydrophobicContact CG-CD1 4.35Å; K14-L18 VanDerWaalsContact O-CG 3.29Å; K14-L18 WeakPolarHBondContact O-CG 3.41Å; K14-L18 PolarHBondContact O-N 2.99Å; K14-L48 PolarHBondContact NZ-O 3.31Å; K14-N50 PolarHBondContact NZ-OD1 3.45Å
15A90.6Very high85.2Confident31 Ų3188.9 Ų88.926%0.25640%0.404SS..Hα-helixtrans-62.3-47.5176.700000111.5V10 T11 W12 D13 R17 L18 L19V10-A15 HydrophobicContact CG1-CB 3.95Å; T11-A15 PolarHBondContact O-N 2.94Å; W12-A15 PolarHBondContact O-N 3.21Å; D13-A15 VanDerWaalsContact C-N 3.35Å; D13-A15 PolarHBondContact O-N 3.49Å; A15-R17 VanDerWaalsContact C-N 3.35Å; A15-R17 PolarHBondContact O-N 2.82Å; A15-L18 PolarHBondContact O-N 2.96Å; A15-L19 WeakPolarHBondContact O-CG 3.46Å; A15-L19 PolarHBondContact O-N 3.49Å
16E92Very high86.3Confident84 Ų8484.2 Ų84.239%0.39339%0.39SS..Hα-helixtrans-60.3-44.2174.8-79.3-168.8-158.900111.9W12 D13 L18 L19 R20W12-E16 WeakPolarHBondContact O-CB 3.21Å; W12-E16 WeakPolarHBondContact O-CG 3.34Å; W12-E16 PolarHBondContact O-N 3.25Å; D13-E16 PolarHBondContact O-N 3.4Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 3.42Å; E16-L19 PolarHBondContact O-N 3.16Å; E16-R20 VanDerWaalsContact O-CG 3.3Å; E16-R20 WeakPolarHBondContact O-CG 3.42Å; E16-R20 PolarHBondContact O-N 2.88Å; E16-R20 IonicContact OE2-CZ 3.56Å; E16-R20 IonicContact OE2-NH2 3.89Å; E16-R20 PolarHBondContact OE2-NH2 3.06Å
17R91.3Very high87.4Confident66 Ų6686.1 Ų86.125%0.24940%0.402CS..Hα-helixtrans-57.7-44.5176.6-173.417478.9-179.54.9110.9D13 K14 A15 N21 L47 E51D13-R17 VanDerWaalsContact O-CB 3.26Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 PolarHBondContact O-N 3.22Å; K14-R17 PolarHBondContact O-N 3.01Å; A15-R17 VanDerWaalsContact C-N 3.35Å; A15-R17 PolarHBondContact O-N 2.82Å; R17-N21 PolarHBondContact O-N 2.97Å; R17-N21 PolarHBondContact O-ND2 3.08Å; R17-L47 HydrophobicContact CG-CD1 3.81Å; R17-L47 PolarHBondContact NH2-O 3.27Å; R17-E51 IonicContact NH1-OE1 3.79Å; R17-E51 PolarHBondContact NH1-OE1 2.75Å
18L93.4Very high88.5Confident37 Ų3782.4 Ų82.419%0.19440%0.401CS..Hα-helixtrans-65.8-45.3176.1-69.7171.5000111.8K14 A15 E16 R20 N21 I22 L47 L48K14-L18 HydrophobicContact CG-CD1 4.35Å; K14-L18 VanDerWaalsContact O-CG 3.29Å; K14-L18 WeakPolarHBondContact O-CG 3.41Å; K14-L18 PolarHBondContact O-N 2.99Å; A15-L18 PolarHBondContact O-N 2.96Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 3.42Å; L18-R20 PolarHBondContact O-N 3.18Å; L18-N21 PolarHBondContact O-N 3.14Å; L18-I22 VanDerWaalsContact O-CG1 3.25Å; L18-I22 WeakPolarHBondContact O-CG1 3.37Å; L18-I22 PolarHBondContact O-N 2.67Å; L18-L47 HydrophobicContact CD2-CD2 3.81Å; L18-L47 HydrophobicContact CD2-CG 3.97Å; L18-L48 HydrophobicContact CD1-CD2 4.49Å; L18-L48 HydrophobicContact CD2-CD2 3.84Å
19L94.5Very high89.5Confident115 Ų11584.4 Ų84.460%0.60241%0.412SS*.Hα-helixtrans-61.1-45179.8-73.6172.6000112.3A15 E16 N21 I22 D23A15-L19 WeakPolarHBondContact O-CG 3.46Å; A15-L19 PolarHBondContact O-N 3.49Å; E16-L19 PolarHBondContact O-N 3.16Å; L19-N21 VanDerWaalsContact C-N 3.3Å; L19-N21 PolarHBondContact O-N 3.14Å; L19-I22 PolarHBondContact O-N 3.08Å; L19-D23 WeakPolarHBondContact O-CB 3.47Å; L19-D23 PolarHBondContact O-N 3.31Å
20R93.8Very high90.4Very high162 Ų16283.5 Ų83.561%0.61141%0.408SS*.Hα-helixtrans-59.7-42.3176.5-70.4176.2-165-1729111.5E16 L18 D23 I24E16-R20 VanDerWaalsContact O-CG 3.3Å; E16-R20 WeakPolarHBondContact O-CG 3.42Å; E16-R20 PolarHBondContact O-N 2.88Å; E16-R20 IonicContact OE2-CZ 3.56Å; E16-R20 IonicContact OE2-NH2 3.89Å; E16-R20 PolarHBondContact OE2-NH2 3.06Å; L18-R20 PolarHBondContact O-N 3.18Å; R20-D23 WeakPolarHBondContact O-CB 3.48Å; R20-D23 PolarHBondContact O-N 2.86Å; R20-I24 WeakPolarHBondContact O-CG1 3.43Å; R20-I24 PolarHBondContact O-N 2.95Å; R20-I24 VanDerWaalsContact O-N 3.12Å
21N94.1Very high91.2Very high18 Ų1881.8 Ų81.810%0.09640%0.398CS..Hα-helixtrans-71.7-40.4178.1-74.2-56.4000112R17 L18 L19 D23 I24 W25 Y43 W44 L47R17-N21 PolarHBondContact O-N 2.97Å; R17-N21 PolarHBondContact O-ND2 3.08Å; L18-N21 PolarHBondContact O-N 3.14Å; L19-N21 VanDerWaalsContact C-N 3.3Å; L19-N21 PolarHBondContact O-N 3.14Å; N21-D23 PolarHBondContact O-N 3.5Å; N21-I24 PolarHBondContact O-N 2.96Å; N21-W25 PolarHBondContact O-N 3.08Å; N21-W25 VanDerWaalsContact O-N 3.12Å; N21-Y43 VanDerWaalsContact CG-OH 3.25Å; N21-Y43 PolarHBondContact OD1-OH 2.87Å; N21-W44 HydrophobicContact CB-CH2 4.32Å; N21-L47 HydrophobicContact CB-CD2 3.65Å; N21-L47 WeakPolarHBondContact ND2-CD1 3.45Å
22I94.6Very high91.9Very high81 Ų8180.6 Ų80.642%0.41539%0.39SS..Hα-helixtrans-56.6-42.5172.6-68.6162.9000110L18 L19 W25 K26 W44L18-I22 VanDerWaalsContact O-CG1 3.25Å; L18-I22 WeakPolarHBondContact O-CG1 3.37Å; L18-I22 PolarHBondContact O-N 2.67Å; L19-I22 PolarHBondContact O-N 3.08Å; I22-W25 CarbonylContact O-C 3.53Å; I22-W25 PolarHBondContact O-N 3.41Å; I22-W25 VanDerWaalsContact O-N 3.16Å; I22-K26 WeakPolarHBondContact O-CG 3.36Å; I22-K26 PolarHBondContact O-N 3.27Å; I22-W44 HydrophobicContact CG1-CH2 4.23Å
23D94.1Very high92.4Very high95 Ų9573.7 Ų73.751%0.50837%0.367SS..Hα-helixtrans-60.3-46.6178.8-151.347.5000113.1L19 R20 N21 W25 K26L19-D23 WeakPolarHBondContact O-CB 3.47Å; L19-D23 PolarHBondContact O-N 3.31Å; R20-D23 WeakPolarHBondContact O-CB 3.48Å; R20-D23 PolarHBondContact O-N 2.86Å; N21-D23 PolarHBondContact O-N 3.5Å; D23-W25 PolarHBondContact O-N 3.35Å; D23-K26 WeakPolarHBondContact O-CB 3.25Å; D23-K26 PolarHBondContact O-N 2.97Å; D23-K26 IonicContact OD1-NZ 2.78Å; D23-K26 PolarHBondContact OD1-NZ 3.5Å
24I92.1Very high92.8Very high72 Ų7275.2 Ų75.237%0.36937%0.366SS..Hα-helixtrans-57.1-37.7174.9-66.8164.2000111.5R20 N21 V32 L223R20-I24 WeakPolarHBondContact O-CG1 3.43Å; R20-I24 PolarHBondContact O-N 2.95Å; R20-I24 VanDerWaalsContact O-N 3.12Å; N21-I24 PolarHBondContact O-N 2.96Å; I24-V32 HydrophobicContact CG2-CG2 3.99Å; I24-L223 HydrophobicContact CD1-CD2 4.4Å; I24-L223 HydrophobicContact CG2-CD2 4.18Å
25W93.8Very high93.2Very high29 Ų2974.2 Ų74.211%0.1136%0.362CS..Hα-helixtrans-88.1-8.1-175.8-69.763.9000113.6N21 I22 D23 D27 V32 H33 K40 Y43 W44 L223N21-W25 PolarHBondContact O-N 3.08Å; N21-W25 VanDerWaalsContact O-N 3.12Å; I22-W25 CarbonylContact O-C 3.53Å; I22-W25 PolarHBondContact O-N 3.41Å; I22-W25 VanDerWaalsContact O-N 3.16Å; D23-W25 PolarHBondContact O-N 3.35Å; W25-D27 VanDerWaalsContact C-N 3.29Å; W25-D27 PolarHBondContact O-N 2.94Å; W25-V32 HydrophobicContact CD2-CG1 3.44Å; W25-V32 VanDerWaalsContact CD2-CG1 3.44Å; W25-V32 HydrophobicContact CE3-CG1 3.62Å; W25-V32 HydrophobicContact CG-CG1 4.15Å; W25-V32 HydrophobicContact CH2-CG1 3.45Å; W25-V32 VanDerWaalsContact CH2-CG1 3.45Å; W25-V32 HydrophobicContact CZ2-CG1 3.25Å; W25-V32 HydrophobicContact CZ3-CG1 3.62Å; W25-H33 PolarHBondContact O-CE1 3.47Å; W25-H33 VanDerWaalsContact O-CE1 3.24Å; W25-H33 PolarHBondContact O-NE2 3.4Å; W25-K40 HydrophobicContact CH2-CB 3.85Å; W25-K40 HydrophobicContact CH2-CD 4.32Å; W25-K40 HydrophobicContact CH2-CG 3.7Å; W25-K40 HydrophobicContact CZ3-CB 4.19Å; W25-K40 HydrophobicContact CZ3-CD 4Å; W25-K40 HydrophobicContact CZ3-CG 3.91Å; W25-Y43 AromaticContact CE2-CE1 3.95Å; W25-Y43 HydrophobicContact CH2-CD1 4.44Å; W25-Y43 AromaticContact CZ2-CD1 3.52Å; W25-Y43 HydrophobicContact CZ2-CD1 3.52Å; W25-Y43 AromaticContact CZ2-CE1 3.76Å; W25-Y43 HydrophobicContact CZ2-CE1 3.76Å; W25-Y43 HydrophobicContact CZ2-CG 4.31Å; W25-Y43 AromaticContact NE1-CE1 3.63Å; W25-W44 HydrophobicContact CB-CZ2 4.25Å; W25-W44 AromaticContact CD1-CZ2 3.91Å; W25-W44 AromaticContact CD2-CZ2 3.63Å; W25-W44 HydrophobicContact CD2-CZ2 3.63Å; W25-W44 AromaticContact CD2-NE1 3.9Å; W25-W44 AromaticContact CE2-CE2 3.95Å; W25-W44 AromaticContact CE2-CZ2 3.76Å; W25-W44 AromaticContact CE2-NE1 3.79Å; W25-W44 HydrophobicContact CE3-CZ2 4.26Å; W25-W44 AromaticContact CE3-NE1 3.85Å; W25-W44 HydrophobicContact CG-CH2 4.43Å; W25-W44 AromaticContact CG-CZ2 3.65Å; W25-W44 HydrophobicContact CG-CZ2 3.65Å; W25-W44 AromaticContact CH2-NE1 3.6Å; W25-W44 HydrophobicContact CZ2-CZ2 4.45Å; W25-W44 AromaticContact CZ2-NE1 3.66Å; W25-W44 AromaticContact CZ3-NE1 3.71Å; W25-W44 AromaticContact NE1-CZ2 3.88Å; W25-L223 HydrophobicContact CZ2-CD1 4.45Å
26K93.3Very high93.5Very high130 Ų13074.2 Ų74.257%0.56536%0.359SS*.Hα-helixtrans-64.5-35.8175.1-78.7172.8-162.7163.40112I22 D23 P28I22-K26 WeakPolarHBondContact O-CG 3.36Å; I22-K26 PolarHBondContact O-N 3.27Å; D23-K26 WeakPolarHBondContact O-CB 3.25Å; D23-K26 PolarHBondContact O-N 2.97Å; D23-K26 IonicContact OD1-NZ 2.78Å; D23-K26 PolarHBondContact OD1-NZ 3.5Å; K26-P28 VanDerWaalsContact O-CD 3.23Å; K26-P28 WeakPolarHBondContact O-CD 3.4Å
27D92.7Very high93.7Very high106 Ų10675 Ų7557%0.56737%0.366SS*.  trans-75111.6-176-71.7-22.7000110.8W25 Q29 S30 H33W25-D27 VanDerWaalsContact C-N 3.29Å; W25-D27 PolarHBondContact O-N 2.94Å; D27-Q29 PolarHBondContact O-N 3.06Å; D27-S30 VanDerWaalsContact O-CB 3.31Å; D27-S30 WeakPolarHBondContact O-CB 3.37Å; D27-S30 PolarHBondContact O-N 3.22Å; D27-S30 VanDerWaalsContact O-N 3.16Å; D27-S30 PolarHBondContact O-OG 3.42Å; D27-H33 PolarHBondContact O-CD2 3.39Å; D27-H33 PolarHBondContact O-NE2 2.97Å; D27-H33 VanDerWaalsContact O-NE2 3.11Å
28P92.6Very high93.9Very high98 Ų9874.7 Ų74.764%0.63637%0.367SS*.THydrogen-bonded Turntrans-70-22.5-176.128.6-35.1000113.1K26 S30K26-P28 VanDerWaalsContact O-CD 3.23Å; K26-P28 WeakPolarHBondContact O-CD 3.4Å; P28-S30 VanDerWaalsContact C-N 3.29Å
29Q90.9Very high94.1Very high179 Ų17973.3 Ų73.384%0.83636%0.359SS*.THydrogen-bonded Turntrans-84.4-3.1177.8-61.1-60.5-27.400112.9D27D27-Q29 PolarHBondContact O-N 3.06Å
30S91Very high94.2Very high24 Ų2469.6 Ų69.617%0.16834%0.338CS..SBendtrans-67.3149.6179.468.50000111.3D27 P28 V32 H33D27-S30 VanDerWaalsContact O-CB 3.31Å; D27-S30 WeakPolarHBondContact O-CB 3.37Å; D27-S30 PolarHBondContact O-N 3.22Å; D27-S30 VanDerWaalsContact O-N 3.16Å; D27-S30 PolarHBondContact O-OG 3.42Å; P28-S30 VanDerWaalsContact C-N 3.29Å; S30-V32 PolarHBondContact O-N 3.45Å; S30-V32 VanDerWaalsContact O-N 3.07Å; S30-H33 PolarHBondContact O-N 2.93Å; S30-H33 PolarHBondContact OG-CD2 3.22Å; S30-H33 VanDerWaalsContact OG-CD2 3.26Å
31V93Very high94.3Very high30 Ų3070.6 Ų70.618%0.18234%0.342CS..G310 helixtrans-57.1-27.2176.9-1790000111.8H33 R34 C227 L230 Q231V31-H33 VanDerWaalsContact C-N 3.28Å; V31-H33 PolarHBondContact O-N 2.9Å; V31-R34 WeakPolarHBondContact O-CB 3.26Å; V31-R34 PolarHBondContact O-N 3.3Å; V31-C227 HydrophobicContact CB-CB 4.39Å; V31-C227 HydrophobicContact CG1-CB 3.88Å; V31-L230 HydrophobicContact CG1-CD2 4.05Å; V31-Q231 HydrophobicContact CG1-CG 4.21Å; V31-Q231 HydrophobicContact CG2-CG 4.49Å
32V94.5Very high94.4Very high8 Ų872.5 Ų72.55%0.04835%0.348CS..G310 helixtrans-61.3-34.3-176-176.10000112.4I24 W25 S30 R34 L35 K40 L223I24-V32 HydrophobicContact CG2-CG2 3.99Å; W25-V32 HydrophobicContact CD2-CG1 3.44Å; W25-V32 VanDerWaalsContact CD2-CG1 3.44Å; W25-V32 HydrophobicContact CE3-CG1 3.62Å; W25-V32 HydrophobicContact CG-CG1 4.15Å; W25-V32 HydrophobicContact CH2-CG1 3.45Å; W25-V32 VanDerWaalsContact CH2-CG1 3.45Å; W25-V32 HydrophobicContact CZ2-CG1 3.25Å; W25-V32 HydrophobicContact CZ3-CG1 3.62Å; S30-V32 PolarHBondContact O-N 3.45Å; S30-V32 VanDerWaalsContact O-N 3.07Å; V32-R34 VanDerWaalsContact C-N 3.27Å; V32-R34 PolarHBondContact O-N 2.95Å; V32-L35 HydrophobicContact CB-CD1 4.45Å; V32-L35 HydrophobicContact CG1-CD1 4.15Å; V32-L35 WeakPolarHBondContact O-CB 3.44Å; V32-L35 PolarHBondContact O-N 2.95Å; V32-K40 WeakPolarHBondContact O-CE 3.46Å; V32-L223 HydrophobicContact CG1-CD1 4.01Å; V32-L223 HydrophobicContact CG2-CD1 4.12Å
33H94.2Very high94.4Very high70 Ų7070.2 Ų70.232%0.32433%0.334SS..G310 helixtrans-71.6-20.8176.2-70.8-70.1000113.6W25 D27 S30 V31 L35 K40W25-H33 PolarHBondContact O-CE1 3.47Å; W25-H33 VanDerWaalsContact O-CE1 3.24Å; W25-H33 PolarHBondContact O-NE2 3.4Å; D27-H33 PolarHBondContact O-CD2 3.39Å; D27-H33 PolarHBondContact O-NE2 2.97Å; D27-H33 VanDerWaalsContact O-NE2 3.11Å; S30-H33 PolarHBondContact O-N 2.93Å; S30-H33 PolarHBondContact OG-CD2 3.22Å; S30-H33 VanDerWaalsContact OG-CD2 3.26Å; V31-H33 VanDerWaalsContact C-N 3.28Å; V31-H33 PolarHBondContact O-N 2.9Å; H33-L35 VanDerWaalsContact C-N 3.35Å; H33-K40 VanDerWaalsContact O-CE 3.25Å; H33-K40 WeakPolarHBondContact O-CE 3.37Å; H33-K40 PolarHBondContact O-NZ 2.54Å
34R94.2Very high94.5Very high121 Ų12168.9 Ų68.946%0.45732%0.322SS..G310 helixtrans-84.7-10177.9-57.7-175.8-65.5158.615.9113V31 V32 L230 E234V31-R34 WeakPolarHBondContact O-CB 3.26Å; V31-R34 PolarHBondContact O-N 3.3Å; V32-R34 VanDerWaalsContact C-N 3.27Å; V32-R34 PolarHBondContact O-N 2.95Å; R34-L230 HydrophobicContact CB-CD2 3.62Å; R34-E234 IonicContact CZ-OE1 3.15Å; R34-E234 IonicContact CZ-OE2 3.4Å; R34-E234 IonicContact NE-OE1 3.13Å; R34-E234 IonicContact NH1-OE1 2.76Å; R34-E234 PolarHBondContact NH1-OE1 2.91Å; R34-E234 IonicContact NH1-OE2 2.68Å; R34-E234 PolarHBondContact NH1-OE2 2.98Å; R34-E234 IonicContact NH2-OE1 3.84Å; R34-E234 PolarHBondContact NH2-OE1 3.48Å; R34-E234 IonicContact NH2-OE2 3.91Å; R34-E234 PolarHBondContact NH2-OE2 3.13Å
35L96.5Very high94.7Very high3 Ų371.3 Ų71.32%0.01634%0.335CS..SBendtrans-63.7153.4177.5-67.7167.9000111.9V32 H33 Y39 K40 W218 L223 A226 L230V32-L35 HydrophobicContact CB-CD1 4.45Å; V32-L35 HydrophobicContact CG1-CD1 4.15Å; V32-L35 WeakPolarHBondContact O-CB 3.44Å; V32-L35 PolarHBondContact O-N 2.95Å; H33-L35 VanDerWaalsContact C-N 3.35Å; L35-Y39 HydrophobicContact CB-CD1 4.16Å; L35-Y39 HydrophobicContact CD1-CD1 3.84Å; L35-Y39 HydrophobicContact CD1-CE1 3.73Å; L35-Y39 HydrophobicContact CD2-CD1 4.48Å; L35-Y39 HydrophobicContact CG-CD1 4.41Å; L35-K40 HydrophobicContact CB-CG 4.3Å; L35-K40 WeakPolarHBondContact O-CE 3.49Å; L35-K40 PolarHBondContact O-NZ 2.83Å; L35-W218 HydrophobicContact CD2-CE3 4.42Å; L35-W218 HydrophobicContact CD2-CH2 4.21Å; L35-W218 HydrophobicContact CD2-CZ3 3.59Å; L35-L223 HydrophobicContact CD1-CD1 4.06Å; L35-A226 HydrophobicContact CD2-CB 4.02Å; L35-L230 HydrophobicContact CD2-CB 4.16Å; L35-L230 HydrophobicContact CD2-CD2 4.01Å; L35-L230 HydrophobicContact CG-CD2 4.34Å
36P96.9Very high94.7Very high31 Ų3171.8 Ų71.820%0.20134%0.34CS..  trans-60.4144.9177-22.833.1000113.1F38 Y39 K40 W218P36-F38 VanDerWaalsContact C-N 3.35Å; P36-F38 HydrophobicContact CB-CD1 3.97Å; P36-F38 HydrophobicContact CB-CD2 4.36Å; P36-F38 HydrophobicContact CB-CE1 3.46Å; P36-F38 VanDerWaalsContact CB-CE1 3.46Å; P36-F38 HydrophobicContact CB-CE2 3.86Å; P36-F38 HydrophobicContact CB-CG 4.39Å; P36-F38 HydrophobicContact CB-CZ 3.39Å; P36-F38 HydrophobicContact CG-CE1 4.36Å; P36-F38 HydrophobicContact CG-CE2 4.4Å; P36-F38 HydrophobicContact CG-CZ 3.91Å; P36-F38 PolarHBondContact O-N 3.37Å; P36-Y39 WeakPolarHBondContact O-CB 3.24Å; P36-Y39 PolarHBondContact O-N 2.91Å; P36-K40 WeakPolarHBondContact O-CG 3.26Å; P36-K40 PolarHBondContact O-N 2.68Å; P36-W218 HydrophobicContact CG-CD2 4.08Å; P36-W218 HydrophobicContact CG-CH2 4.22Å; P36-W218 HydrophobicContact CG-CZ2 3.74Å
37D96.4Very high94.7Very high100 Ų10066.4 Ų66.454%0.53532%0.317SS..Hα-helixtrans-64.1-36.5-173.7-71.1-19.6000113.6Y39 K40 R41D37-Y39 VanDerWaalsContact C-N 3.29Å; D37-Y39 PolarHBondContact O-N 2.82Å; D37-K40 PolarHBondContact O-N 2.62Å; D37-K40 IonicContact OD1-NZ 3.32Å; D37-K40 PolarHBondContact OD1-NZ 3.41Å; D37-R41 WeakPolarHBondContact O-CG 3.27Å; D37-R41 PolarHBondContact O-N 2.84Å
38F95.8Very high94.7Very high60 Ų6065.9 Ų65.926%0.26331%0.314SS..Hα-helixtrans-62.7-37.217556.1-101.7000111.6P36 R42 E214 E215 W218P36-F38 VanDerWaalsContact C-N 3.35Å; P36-F38 HydrophobicContact CB-CD1 3.97Å; P36-F38 HydrophobicContact CB-CD2 4.36Å; P36-F38 HydrophobicContact CB-CE1 3.46Å; P36-F38 VanDerWaalsContact CB-CE1 3.46Å; P36-F38 HydrophobicContact CB-CE2 3.86Å; P36-F38 HydrophobicContact CB-CG 4.39Å; P36-F38 HydrophobicContact CB-CZ 3.39Å; P36-F38 HydrophobicContact CG-CE1 4.36Å; P36-F38 HydrophobicContact CG-CE2 4.4Å; P36-F38 HydrophobicContact CG-CZ 3.91Å; P36-F38 PolarHBondContact O-N 3.37Å; F38-R42 VanDerWaalsContact O-CB 3.27Å; F38-R42 WeakPolarHBondContact O-CB 3.42Å; F38-R42 PolarHBondContact O-N 3.25Å; F38-E214 WeakPolarHBondContact CZ-O 3.34Å; F38-E215 HydrophobicContact CB-CG 4.45Å; F38-E215 HydrophobicContact CD1-CG 3.96Å; F38-E215 HydrophobicContact CD2-CB 4.19Å; F38-E215 HydrophobicContact CD2-CG 4.05Å; F38-E215 HydrophobicContact CE1-CG 4.17Å; F38-E215 HydrophobicContact CE2-CB 4.28Å; F38-E215 HydrophobicContact CE2-CG 4.28Å; F38-E215 HydrophobicContact CG-CG 3.9Å; F38-E215 HydrophobicContact CZ-CG 4.33Å; F38-W218 HydrophobicContact CE2-CB 3.87Å; F38-W218 AromaticContact CE2-CD1 3.56Å; F38-W218 AromaticContact CE2-CG 3.77Å; F38-W218 HydrophobicContact CE2-CG 3.77Å; F38-W218 AromaticContact CZ-CD1 3.71Å; F38-W218 HydrophobicContact CZ-CG 4.29Å
39Y97.1Very high94.7Very high8 Ų864.1 Ų64.13%0.03130%0.297CS..Hα-helixtrans-66.5-47.1175.4178.3-94.9000110.6L35 P36 D37 R41 R42 Y43 W218 L221 D222 L223 A226L35-Y39 HydrophobicContact CB-CD1 4.16Å; L35-Y39 HydrophobicContact CD1-CD1 3.84Å; L35-Y39 HydrophobicContact CD1-CE1 3.73Å; L35-Y39 HydrophobicContact CD2-CD1 4.48Å; L35-Y39 HydrophobicContact CG-CD1 4.41Å; P36-Y39 WeakPolarHBondContact O-CB 3.24Å; P36-Y39 PolarHBondContact O-N 2.91Å; D37-Y39 VanDerWaalsContact C-N 3.29Å; D37-Y39 PolarHBondContact O-N 2.82Å; Y39-R41 PolarHBondContact O-N 2.89Å; Y39-R42 PolarHBondContact O-N 2.83Å; Y39-Y43 VanDerWaalsContact O-CB 3.26Å; Y39-Y43 WeakPolarHBondContact O-CB 3.3Å; Y39-Y43 PolarHBondContact O-N 3.45Å; Y39-W218 HydrophobicContact CD2-CB 3.85Å; Y39-W218 HydrophobicContact CD2-CE3 4.27Å; Y39-W218 WeakPolarHBondContact CD2-O 3.41Å; Y39-W218 WeakPolarHBondContact CE2-O 3.31Å; Y39-W218 HydrophobicContact CG-CB 4.46Å; Y39-W218 HydrophobicContact CG-CE3 4.31Å; Y39-L221 HydrophobicContact CE2-CB 4.13Å; Y39-L221 PolarHBondContact OH-O 3.01Å; Y39-D222 PolarHBondContact OH-O 3.27Å; Y39-L223 HydrophobicContact CE1-CD1 4.45Å; Y39-L223 WeakPolarHBondContact OH-CA 3.45Å; Y39-L223 PolarHBondContact OH-N 3.05Å; Y39-A226 HydrophobicContact CD1-CB 4.47Å; Y39-A226 HydrophobicContact CE1-CB 3.73Å; Y39-A226 HydrophobicContact CE2-CB 3.9Å; Y39-A226 WeakPolarHBondContact OH-CB 3.3Å
40K96.1Very high94.6Very high37 Ų3759.8 Ų59.816%0.16128%0.28CS..Hα-helixtrans-56.6-49177.5-59.6177.7177143.70111.3W25 V32 H33 L35 P36 D37 R42 Y43 W44W25-K40 HydrophobicContact CH2-CB 3.85Å; W25-K40 HydrophobicContact CH2-CD 4.32Å; W25-K40 HydrophobicContact CH2-CG 3.7Å; W25-K40 HydrophobicContact CZ3-CB 4.19Å; W25-K40 HydrophobicContact CZ3-CD 4Å; W25-K40 HydrophobicContact CZ3-CG 3.91Å; V32-K40 WeakPolarHBondContact O-CE 3.46Å; H33-K40 VanDerWaalsContact O-CE 3.25Å; H33-K40 WeakPolarHBondContact O-CE 3.37Å; H33-K40 PolarHBondContact O-NZ 2.54Å; L35-K40 HydrophobicContact CB-CG 4.3Å; L35-K40 WeakPolarHBondContact O-CE 3.49Å; L35-K40 PolarHBondContact O-NZ 2.83Å; P36-K40 WeakPolarHBondContact O-CG 3.26Å; P36-K40 PolarHBondContact O-N 2.68Å; D37-K40 PolarHBondContact O-N 2.62Å; D37-K40 IonicContact OD1-NZ 3.32Å; D37-K40 PolarHBondContact OD1-NZ 3.41Å; K40-R42 PolarHBondContact O-N 3.45Å; K40-Y43 WeakPolarHBondContact O-CB 3.23Å; K40-Y43 PolarHBondContact O-N 3.14Å; K40-W44 PolarHBondContact O-N 3.45Å; K40-W44 VanDerWaalsContact O-N 3.07Å
41R96.2Very high94.6Very high183 Ų18362.5 Ų62.569%0.69129%0.29SS*.Hα-helixtrans-57.9-50.1178.8-71.5175.6-170.4-164.24.3111.2D37 Y39 Y43 W44 L45D37-R41 WeakPolarHBondContact O-CG 3.27Å; D37-R41 PolarHBondContact O-N 2.84Å; Y39-R41 PolarHBondContact O-N 2.89Å; R41-Y43 VanDerWaalsContact C-N 3.34Å; R41-Y43 PolarHBondContact O-N 2.85Å; R41-W44 PolarHBondContact O-N 3.01Å; R41-L45 VanDerWaalsContact O-CG 3.31Å; R41-L45 WeakPolarHBondContact O-CG 3.36Å; R41-L45 PolarHBondContact O-N 3.37Å
42R95.7Very high94.5Very high58 Ų5864.8 Ų64.822%0.21930%0.298CS..Hα-helixtrans-64.2-38.7-179.6-173.7173.9134.99816.1112.6F38 Y39 K40 L45 N46 E169 V219 G220F38-R42 VanDerWaalsContact O-CB 3.27Å; F38-R42 WeakPolarHBondContact O-CB 3.42Å; F38-R42 PolarHBondContact O-N 3.25Å; Y39-R42 PolarHBondContact O-N 2.83Å; K40-R42 PolarHBondContact O-N 3.45Å; R42-L45 PolarHBondContact O-N 2.98Å; R42-N46 WeakPolarHBondContact O-CB 3.4Å; R42-N46 VanDerWaalsContact O-CG 3.31Å; R42-N46 PolarHBondContact O-N 2.91Å; R42-E169 IonicContact CZ-OE1 2.99Å; R42-E169 IonicContact CZ-OE2 2.75Å; R42-E169 IonicContact NH1-OE1 3.26Å; R42-E169 PolarHBondContact NH1-OE1 2.96Å; R42-E169 IonicContact NH1-OE2 2.8Å; R42-E169 VanDerWaalsContact NH2-CG 3.29Å; R42-E169 IonicContact NH2-OE1 3.16Å; R42-E169 PolarHBondContact NH2-OE1 3.01Å; R42-E169 IonicContact NH2-OE2 2.87Å; R42-E169 PolarHBondContact NH2-OE2 3.4Å; R42-V219 VanDerWaalsContact NH2-CG1 3.26Å; R42-G220 VanDerWaalsContact NH2-N 3.1Å
43Y96Very high94.4Very high32 Ų3267 Ų6713%0.12531%0.312CS..Hα-helixtrans-58.1-49.8174.1176.5-95000111.6N21 W25 Y39 K40 R41 N46 L47 L223N21-Y43 VanDerWaalsContact CG-OH 3.25Å; N21-Y43 PolarHBondContact OD1-OH 2.87Å; W25-Y43 AromaticContact CE2-CE1 3.95Å; W25-Y43 HydrophobicContact CH2-CD1 4.44Å; W25-Y43 AromaticContact CZ2-CD1 3.52Å; W25-Y43 HydrophobicContact CZ2-CD1 3.52Å; W25-Y43 AromaticContact CZ2-CE1 3.76Å; W25-Y43 HydrophobicContact CZ2-CE1 3.76Å; W25-Y43 HydrophobicContact CZ2-CG 4.31Å; W25-Y43 AromaticContact NE1-CE1 3.63Å; Y39-Y43 VanDerWaalsContact O-CB 3.26Å; Y39-Y43 WeakPolarHBondContact O-CB 3.3Å; Y39-Y43 PolarHBondContact O-N 3.45Å; K40-Y43 WeakPolarHBondContact O-CB 3.23Å; K40-Y43 PolarHBondContact O-N 3.14Å; R41-Y43 VanDerWaalsContact C-N 3.34Å; R41-Y43 PolarHBondContact O-N 2.85Å; Y43-N46 PolarHBondContact O-N 3.03Å; Y43-L47 HydrophobicContact CE1-CD2 4.42Å; Y43-L47 WeakPolarHBondContact O-CB 3.26Å; Y43-L47 PolarHBondContact O-N 2.86Å; Y43-L223 HydrophobicContact CE2-CB 3.92Å; Y43-L223 HydrophobicContact CE2-CD1 4.29Å; Y43-L223 HydrophobicContact CE2-CD2 4.47Å; Y43-L223 HydrophobicContact CE2-CG 4.46Å
44W95.3Very high94.4Very high68 Ų6864.4 Ų64.426%0.25830%0.302SS..Hα-helixtrans-66.7-37.8177.8-75110000112.8N21 I22 W25 K40 R41 N46 L47 L48N21-W44 HydrophobicContact CB-CH2 4.32Å; I22-W44 HydrophobicContact CG1-CH2 4.23Å; W25-W44 HydrophobicContact CB-CZ2 4.25Å; W25-W44 AromaticContact CD1-CZ2 3.91Å; W25-W44 AromaticContact CD2-CZ2 3.63Å; W25-W44 HydrophobicContact CD2-CZ2 3.63Å; W25-W44 AromaticContact CD2-NE1 3.9Å; W25-W44 AromaticContact CE2-CE2 3.95Å; W25-W44 AromaticContact CE2-CZ2 3.76Å; W25-W44 AromaticContact CE2-NE1 3.79Å; W25-W44 HydrophobicContact CE3-CZ2 4.26Å; W25-W44 AromaticContact CE3-NE1 3.85Å; W25-W44 HydrophobicContact CG-CH2 4.43Å; W25-W44 AromaticContact CG-CZ2 3.65Å; W25-W44 HydrophobicContact CG-CZ2 3.65Å; W25-W44 AromaticContact CH2-NE1 3.6Å; W25-W44 HydrophobicContact CZ2-CZ2 4.45Å; W25-W44 AromaticContact CZ2-NE1 3.66Å; W25-W44 AromaticContact CZ3-NE1 3.71Å; W25-W44 AromaticContact NE1-CZ2 3.88Å; K40-W44 PolarHBondContact O-N 3.45Å; K40-W44 VanDerWaalsContact O-N 3.07Å; R41-W44 PolarHBondContact O-N 3.01Å; W44-N46 VanDerWaalsContact C-N 3.34Å; W44-N46 PolarHBondContact O-N 3.48Å; W44-L47 HydrophobicContact CE3-CD2 3.79Å; W44-L47 HydrophobicContact CH2-CD2 4.48Å; W44-L47 HydrophobicContact CZ3-CD2 3.61Å; W44-L47 PolarHBondContact O-N 2.98Å; W44-L48 WeakPolarHBondContact O-CB 3.39Å; W44-L48 VanDerWaalsContact O-CG 3.27Å; W44-L48 WeakPolarHBondContact O-CG 3.46Å; W44-L48 PolarHBondContact O-N 3.36Å
45L95.9Very high94.2Very high122 Ų12264.7 Ų64.764%0.63931%0.308SS*.Hα-helixtrans-59-46.4173.3-73173000111.2R41 R42 L47 L48 H49R41-L45 VanDerWaalsContact O-CG 3.31Å; R41-L45 WeakPolarHBondContact O-CG 3.36Å; R41-L45 PolarHBondContact O-N 3.37Å; R42-L45 PolarHBondContact O-N 2.98Å; L45-L47 PolarHBondContact O-N 3.38Å; L45-L48 PolarHBondContact O-N 3.34Å; L45-H49 WeakPolarHBondContact O-CB 3.19Å; L45-H49 PolarHBondContact O-N 2.95Å
46N94.8Very high94Very high40 Ų4067.5 Ų67.521%0.21432%0.318CS..Hα-helixtrans-67-36178.4-72.9-2000112.6R42 Y43 W44 H49 E169R42-N46 WeakPolarHBondContact O-CB 3.4Å; R42-N46 VanDerWaalsContact O-CG 3.31Å; R42-N46 PolarHBondContact O-N 2.91Å; Y43-N46 PolarHBondContact O-N 3.03Å; W44-N46 VanDerWaalsContact C-N 3.34Å; W44-N46 PolarHBondContact O-N 3.48Å; N46-H49 WeakPolarHBondContact O-CB 3.48Å; N46-E169 PolarHBondContact ND2-OE2 3.48Å; N46-E169 PolarHBondContact OD1-OE2 3.16Å
47L92.8Very high93.7Very high17 Ų1776.8 Ų76.89%0.08935%0.349CS..Hα-helixtrans-68.4-37.4177.8-166.669.4000112.5R17 L18 N21 Y43 W44 L45R17-L47 HydrophobicContact CG-CD1 3.81Å; R17-L47 PolarHBondContact NH2-O 3.27Å; L18-L47 HydrophobicContact CD2-CD2 3.81Å; L18-L47 HydrophobicContact CD2-CG 3.97Å; N21-L47 HydrophobicContact CB-CD2 3.65Å; N21-L47 WeakPolarHBondContact ND2-CD1 3.45Å; Y43-L47 HydrophobicContact CE1-CD2 4.42Å; Y43-L47 WeakPolarHBondContact O-CB 3.26Å; Y43-L47 PolarHBondContact O-N 2.86Å; W44-L47 HydrophobicContact CE3-CD2 3.79Å; W44-L47 HydrophobicContact CH2-CD2 4.48Å; W44-L47 HydrophobicContact CZ3-CD2 3.61Å; W44-L47 PolarHBondContact O-N 2.98Å; L45-L47 PolarHBondContact O-N 3.38Å
48L92.6Very high93.4Very high94 Ų9474.8 Ų74.849%0.49234%0.342SS..Hα-helixtrans-81.8-22179.3-69.6170.1000112.9K14 L18 W44 L45K14-L48 PolarHBondContact NZ-O 3.31Å; L18-L48 HydrophobicContact CD1-CD2 4.49Å; L18-L48 HydrophobicContact CD2-CD2 3.84Å; W44-L48 WeakPolarHBondContact O-CB 3.39Å; W44-L48 VanDerWaalsContact O-CG 3.27Å; W44-L48 WeakPolarHBondContact O-CG 3.46Å; W44-L48 PolarHBondContact O-N 3.36Å; L45-L48 PolarHBondContact O-N 3.34Å
49H92.4Very high93.1Very high61 Ų6177 Ų7728%0.28235%0.352SS..PPolyproline II helixtrans-50.4139.4176.6-172.469.9000111.5L45 N46 P170 D171L45-H49 WeakPolarHBondContact O-CB 3.19Å; L45-H49 PolarHBondContact O-N 2.95Å; N46-H49 WeakPolarHBondContact O-CB 3.48Å; H49-P170 HydrophobicContact CB-CG 3.87Å; H49-P170 WeakPolarHBondContact CD2-CG 3.4Å; H49-D171 IonicContact CD2-OD1 3.08Å; H49-D171 IonicContact CD2-OD2 3.55Å; H49-D171 IonicContact CE1-OD2 2.83Å; H49-D171 IonicContact NE2-OD1 2.79Å; H49-D171 IonicContact NE2-OD2 3.73Å; H49-D171 PolarHBondContact NE2-OD2 2.69Å
50N89.6Confident92.6Very high89 Ų8982.7 Ų82.748%0.47639%0.388SS..PPolyproline II helixtrans-93.6119.2171.7-70.1-37.9000107.6K14K14-N50 PolarHBondContact NZ-OD1 3.45Å
51E89.8Confident92.2Very high81 Ų8186 Ų8638%0.37941%0.407SS..PPolyproline II helixtrans-60.2142.7-179.3-69.8163.8-148.700111.5R17 P170 D171R17-E51 IonicContact NH1-OE1 3.79Å; R17-E51 PolarHBondContact NH1-OE1 2.75Å; E51-P170 HydrophobicContact CG-CB 4.32Å; E51-D171 WeakPolarHBondContact CA-OD1 3.16Å
52E92.1Very high91.7Very high77 Ų7779.1 Ų79.136%0.3638%0.384SS..PPolyproline II helixtrans-58.3138.3175-83.4-169.2170.800110.7V54 D171E52-V54 WeakPolarHBondContact O-CG2 3.37Å; E52-V54 PolarHBondContact O-N 3.06Å; E52-V54 VanDerWaalsContact O-N 3.11Å; E52-D171 PolarHBondContact N-OD1 3.46Å
53P92.9Very high91.4Very high54 Ų5480 Ų8035%0.35139%0.388SS..  trans-68.1114.1-177.627.8-35000111.5W56 P58P53-W56 HydrophobicContact CB-CD2 3.98Å; P53-W56 HydrophobicContact CB-CG 4.37Å; P53-W56 HydrophobicContact CB-CH2 4.4Å; P53-W56 HydrophobicContact CB-CZ2 3.75Å; P53-P58 HydrophobicContact CG-CG 4.5Å
54V93.1Very high91.1Very high17 Ų1781.4 Ų81.410%0.10340%0.4CS..SBendtrans-105119.9177.9-173.60000110.7E52 W56 E96E52-V54 WeakPolarHBondContact O-CG2 3.37Å; E52-V54 PolarHBondContact O-N 3.06Å; E52-V54 VanDerWaalsContact O-N 3.11Å; V54-W56 VanDerWaalsContact O-CD1 3.24Å; V54-W56 PolarHBondContact O-N 3.2Å; V54-W56 VanDerWaalsContact O-N 3.16Å; V54-E96 HydrophobicContact CG1-CG 3.97Å
55H90.6Very high91Very high127 Ų12786.2 Ų86.259%0.58842%0.418SS*.SBendtrans61.212-176.5-52.5-55.5000116.4E96H55-E96 IonicContact CE1-OE1 3.11Å; H55-E96 PolarHBondContact CE1-OE1 2.99Å; H55-E96 IonicContact NE2-OE1 3.46Å; H55-E96 PolarHBondContact NE2-OE1 2.87Å
56W92Very high90.9Very high61 Ų6183 Ų8323%0.23140%0.401CS..  trans-137.6168.1169.669.7-82.1000109.7P53 V54 P58 N77 P79 V80P53-W56 HydrophobicContact CB-CD2 3.98Å; P53-W56 HydrophobicContact CB-CG 4.37Å; P53-W56 HydrophobicContact CB-CH2 4.4Å; P53-W56 HydrophobicContact CB-CZ2 3.75Å; V54-W56 VanDerWaalsContact O-CD1 3.24Å; V54-W56 PolarHBondContact O-N 3.2Å; V54-W56 VanDerWaalsContact O-N 3.16Å; W56-P58 HydrophobicContact CH2-CB 4.13Å; W56-P58 HydrophobicContact CZ3-CB 3.78Å; W56-N77 HydrophobicContact CZ3-CB 4.41Å; W56-P79 HydrophobicContact CH2-CB 4.29Å; W56-P79 HydrophobicContact CZ2-CB 3.6Å; W56-V80 HydrophobicContact CB-CG2 3.81Å; W56-V80 HydrophobicContact CG-CG2 3.97Å
57R91.3Very high90.8Very high226 Ų22683.8 Ų83.885%0.85342%0.419SS*.  trans-128.9128.9177-65.7-179.6-176.3174.60.1108.6
58P90.2Very high90.8Very high58 Ų5891 Ų9138%0.37745%0.449SS..  trans-65.6145.6172.828.1-33.6000110.4P53 W56 T60 N77P53-P58 HydrophobicContact CG-CG 4.5Å; W56-P58 HydrophobicContact CH2-CB 4.13Å; W56-P58 HydrophobicContact CZ3-CB 3.78Å; P58-T60 PolarHBondContact O-N 3.35Å; P58-N77 WeakPolarHBondContact CA-OD1 3.49Å
59F89.1Confident90.8Very high107 Ų10793 Ų9347%0.46945%0.454SS..  trans-66.3124.4170.1-65.9-72.8000109.7Q6 N75 N77Q6-F59 PolarHBondContact NE2-O 2.94Å; F59-N75 HydrophobicContact CB-CB 3.83Å; F59-N75 HydrophobicContact CD2-CB 4.08Å; F59-N75 HydrophobicContact CG-CB 3.92Å; F59-N77 WeakPolarHBondContact CD2-OD1 3.39Å; F59-N77 PolarHBondContact N-OD1 3.46Å; F59-N77 PolarHBondContact O-ND2 3.4Å
60T87Confident90.8Very high128 Ų12894.1 Ų94.179%0.78547%0.468SS*.SBendtrans-76.6-36.3173.650.80000111.4Q6 P58Q6-T60 PolarHBondContact NE2-O 3.01Å; P58-T60 PolarHBondContact O-N 3.35Å
61D87.9Confident91Very high105 Ų10593.3 Ų93.356%0.56147%0.466SS*.SBendtrans-86.8144-177.6-60-35.6000111.3Q6 Y63 N75Q6-D61 VanDerWaalsContact NE2-C 3.32Å; Q6-D61 PolarHBondContact NE2-O 3.45Å; D61-Y63 VanDerWaalsContact C-N 3.28Å; D61-Y63 PolarHBondContact O-N 2.9Å; D61-N75 WeakPolarHBondContact O-CB 3.39Å; D61-N75 PolarHBondContact O-ND2 2.85Å
62L84.6Confident91.1Very high40 Ų4097.1 Ų97.121%0.20948%0.477CS..SBendtrans-65.4-32.6176-71.5149.7000113.2P4 Q6 N75P4-L62 HydrophobicContact CB-CD1 4.35Å; P4-L62 HydrophobicContact CG-CD1 4.03Å; P4-L62 WeakPolarHBondContact O-CD1 3.33Å; P4-L62 WeakPolarHBondContact O-CD2 3.47Å; Q6-L62 HydrophobicContact CB-CD2 3.88Å; Q6-L62 HydrophobicContact CG-CB 4.35Å; Q6-L62 HydrophobicContact CG-CD2 3.28Å; Q6-L62 HydrophobicContact CG-CG 3.81Å; L62-N75 PolarHBondContact O-N 3.26Å
63Y89Confident90.9Very high77 Ų7797.2 Ų97.230%0.30248%0.478SS..EExtended strand (participates in β ladder)trans-140.3145.3-172.4-58.8-89.8000110.6D61 R72 H73 E74 N75D61-Y63 VanDerWaalsContact C-N 3.28Å; D61-Y63 PolarHBondContact O-N 2.9Å; Y63-R72 HydrophobicContact CD1-CG 3.81Å; Y63-R72 VanDerWaalsContact CD2-NE 3.34Å; Y63-R72 HydrophobicContact CG-CG 3.98Å; Y63-H73 CarbonylContact C-O 3.52Å; Y63-H73 WeakPolarHBondContact CA-O 3.37Å; Y63-H73 WeakPolarHBondContact CB-O 3.38Å; Y63-H73 WeakPolarHBondContact CD1-O 3.42Å; Y63-E74 HydrophobicContact CD1-CB 4.09Å; Y63-E74 HydrophobicContact CE1-CB 3.95Å; Y63-E74 HydrophobicContact CE1-CG 4.23Å; Y63-N75 VanDerWaalsContact C-ND2 3.29Å
64T91Very high90.7Very high61 Ų6197.5 Ų97.537%0.37447%0.474SS..EExtended strand (participates in β ladder)trans-115.8146.8167.248.40000109.9H73 N75T64-H73 PolarHBondContact N-O 2.52Å; T64-H73 PolarHBondContact O-N 2.9Å; T64-N75 WeakPolarHBondContact CB-OD1 3.22Å; T64-N75 VanDerWaalsContact CG2-ND2 3.25Å; T64-N75 WeakPolarHBondContact CG2-ND2 3.2Å; T64-N75 WeakPolarHBondContact CG2-OD1 3.42Å; T64-N75 PolarHBondContact N-OD1 3.29Å; T64-N75 PolarHBondContact OG1-OD1 3.46Å
65W93.5Very high90.5Very high169 Ų16997.2 Ų97.264%0.6447%0.472SS*.EExtended strand (participates in β ladder)trans-87.7120.5173.1178.6-107.1000109.3G67 C70 R72W65-G67 PolarHBondContact O-N 2.8Å; W65-C70 HydrophobicContact CH2-CB 3.94Å; W65-C70 WeakPolarHBondContact CH2-O 3.22Å; W65-C70 HydrophobicContact CZ2-CB 3.72Å; W65-R72 HydrophobicContact CE3-CB 4.41Å
66D92.1Very high90.3Very high53 Ų5394.5 Ų94.528%0.28346%0.459SS..EExtended strand (participates in β ladder)trans-87.6106.4170.7-170.9-15.4000109.7K68 F69 C70 V71 H73D66-K68 PolarHBondContact O-N 3.41Å; D66-K68 WeakPolarHBondContact OD1-CB 3.26Å; D66-K68 PolarHBondContact OD1-N 2.95Å; D66-F69 VanDerWaalsContact OD2-CD2 3.29Å; D66-F69 WeakPolarHBondContact OD2-CD2 3.18Å; D66-C70 WeakPolarHBondContact O-CA 3.48Å; D66-C70 PolarHBondContact O-N 2.98Å; D66-V71 PolarHBondContact N-O 3.07Å; D66-H73 WeakPolarHBondContact CB-CD2 3.46Å; D66-H73 IonicContact OD2-NE2 3.91Å
67G93.7Very high90.1Very high57 Ų5793.6 Ų93.659%0.58846%0.459SS*.THydrogen-bonded Turntrans-64.8-16.6179.800000114.4W65W65-G67 PolarHBondContact O-N 2.8Å
68K92.9Very high89.8Confident169 Ų16989.2 Ų89.274%0.73544%0.444SS*.THydrogen-bonded Turntrans-83.3-42-179.5-174.7178.8177-177.70112.6D66D66-K68 PolarHBondContact O-N 3.41Å; D66-K68 WeakPolarHBondContact OD1-CB 3.26Å; D66-K68 PolarHBondContact OD1-N 2.95Å
69F92.3Very high89.7Confident136 Ų13689.3 Ų89.360%0.59645%0.445SS*.THydrogen-bonded Turntrans-100-7.8-179.1-62.3-70.2000113D66 V71D66-F69 VanDerWaalsContact OD2-CD2 3.29Å; D66-F69 WeakPolarHBondContact OD2-CD2 3.18Å; F69-V71 HydrophobicContact CB-CG2 4.27Å; F69-V71 PolarHBondContact O-N 3.19Å
70C91.2Very high89.7Confident84 Ų8487 Ų8757%0.56844%0.439SS*.THydrogen-bonded Turntrans54.340.7-173.7-62.20000112W65 D66W65-C70 HydrophobicContact CH2-CB 3.94Å; W65-C70 WeakPolarHBondContact CH2-O 3.22Å; W65-C70 HydrophobicContact CZ2-CB 3.72Å; D66-C70 WeakPolarHBondContact O-CA 3.48Å; D66-C70 PolarHBondContact O-N 2.98Å
71V94.6Very high89.8Confident72 Ų7286.3 Ų86.344%0.43643%0.425SS..EExtended strand (participates in β ladder)trans-121.4142.6179.2176.40000109D66 F69 H73D66-V71 PolarHBondContact N-O 3.07Å; F69-V71 HydrophobicContact CB-CG2 4.27Å; F69-V71 PolarHBondContact O-N 3.19Å; V71-H73 PolarHBondContact O-CD2 3.16Å
72R91.8Very high90Very high161 Ų16182.7 Ų82.761%0.60841%0.407SS*.EExtended strand (participates in β ladder)trans-81.9119.6170.8-174.6-176.5-174.1176.95.4108.9Y63 W65Y63-R72 HydrophobicContact CD1-CG 3.81Å; Y63-R72 VanDerWaalsContact CD2-NE 3.34Å; Y63-R72 HydrophobicContact CG-CG 3.98Å; W65-R72 HydrophobicContact CE3-CB 4.41Å
73H88.8Confident90.4Very high80 Ų8083.8 Ų83.837%0.3741%0.413SS..EExtended strand (participates in β ladder)trans-100.7137.9176.8-68.9-86.3000110.4Y63 T64 D66 V71Y63-H73 CarbonylContact C-O 3.52Å; Y63-H73 WeakPolarHBondContact CA-O 3.37Å; Y63-H73 WeakPolarHBondContact CB-O 3.38Å; Y63-H73 WeakPolarHBondContact CD1-O 3.42Å; T64-H73 PolarHBondContact N-O 2.52Å; T64-H73 PolarHBondContact O-N 2.9Å; D66-H73 WeakPolarHBondContact CB-CD2 3.46Å; D66-H73 IonicContact OD2-NE2 3.91Å; V71-H73 PolarHBondContact O-CD2 3.16Å
74E88.4Confident90.7Very high59 Ų5983 Ų8328%0.27641%0.41SS..EExtended strand (participates in β ladder)trans-73.2130.7168.3-173173.5-174.200108.7R7 Y63R7-E74 WeakPolarHBondContact CB-OE1 3.34Å; R7-E74 WeakPolarHBondContact CD-OE1 3.31Å; R7-E74 WeakPolarHBondContact CG-OE1 3.46Å; R7-E74 IonicContact NE-OE2 2.99Å; R7-E74 IonicContact NH1-OE2 2.83Å; Y63-E74 HydrophobicContact CD1-CB 4.09Å; Y63-E74 HydrophobicContact CE1-CB 3.95Å; Y63-E74 HydrophobicContact CE1-CG 4.23Å
75N88.2Confident91Very high11 Ų1181.5 Ų81.56%0.05940%0.401CS..PPolyproline II helixtrans-84.6125.2178.6-66.9-24.8000109.6F59 D61 L62 Y63 T64F59-N75 HydrophobicContact CB-CB 3.83Å; F59-N75 HydrophobicContact CD2-CB 4.08Å; F59-N75 HydrophobicContact CG-CB 3.92Å; D61-N75 WeakPolarHBondContact O-CB 3.39Å; D61-N75 PolarHBondContact O-ND2 2.85Å; L62-N75 PolarHBondContact O-N 3.26Å; Y63-N75 VanDerWaalsContact C-ND2 3.29Å; T64-N75 WeakPolarHBondContact CB-OD1 3.22Å; T64-N75 VanDerWaalsContact CG2-ND2 3.25Å; T64-N75 WeakPolarHBondContact CG2-ND2 3.2Å; T64-N75 WeakPolarHBondContact CG2-OD1 3.42Å; T64-N75 PolarHBondContact N-OD1 3.29Å; T64-N75 PolarHBondContact OG1-OD1 3.46Å
76E86.7Confident91.1Very high70 Ų7077.8 Ų77.833%0.32740%0.399SS..  trans-112.5131.6177.8-65.9175.7167.100109.5V9 Y78V9-E76 HydrophobicContact CG2-CB 4.23Å; V9-E76 HydrophobicContact CG2-CG 4.09Å; E76-Y78 HydrophobicContact CB-CD2 3.99Å; E76-Y78 HydrophobicContact CB-CE2 3.4Å; E76-Y78 HydrophobicContact CG-CE2 4.35Å; E76-Y78 PolarHBondContact O-N 2.92Å; E76-Y78 WeakPolarHBondContact OE2-CE2 3.4Å; E76-Y78 PolarHBondContact OE2-OH 2.86Å
77N87Confident91.2Very high43 Ų4380.2 Ų80.223%0.2341%0.408CS..  trans-88.997.3179.4-74.8-33.8000110.2W56 P58 F59W56-N77 HydrophobicContact CZ3-CB 4.41Å; P58-N77 WeakPolarHBondContact CA-OD1 3.49Å; F59-N77 WeakPolarHBondContact CD2-OD1 3.39Å; F59-N77 PolarHBondContact N-OD1 3.46Å; F59-N77 PolarHBondContact O-ND2 3.4Å
78Y86.3Confident91.3Very high133 Ų13377.6 Ų77.652%0.52238%0.381SS..  trans-98112.7171.5-66.4-78000110.4V9 E76V9-Y78 HydrophobicContact CG1-CE1 3.78Å; E76-Y78 HydrophobicContact CB-CD2 3.99Å; E76-Y78 HydrophobicContact CB-CE2 3.4Å; E76-Y78 HydrophobicContact CG-CE2 4.35Å; E76-Y78 PolarHBondContact O-N 2.92Å; E76-Y78 WeakPolarHBondContact OE2-CE2 3.4Å; E76-Y78 PolarHBondContact OE2-OH 2.86Å
79P87.8Confident91.5Very high61 Ų6171.6 Ų71.640%0.39636%0.357SS..PPolyproline II helixtrans-64.6148.1173.728.3-34.6000110.9T11 W56 F81T11-P79 VanDerWaalsContact CG2-CD 3.44Å; T11-P79 HydrophobicContact CG2-CG 3.54Å; W56-P79 HydrophobicContact CH2-CB 4.29Å; W56-P79 HydrophobicContact CZ2-CB 3.6Å; P79-F81 PolarHBondContact O-N 3.13Å
80V89.7Confident91.7Very high59 Ų5972.3 Ų72.336%0.35836%0.36SS..PPolyproline II helixtrans-69.2131.1173.9177.30000109W56 V82 V99W56-V80 HydrophobicContact CB-CG2 3.81Å; W56-V80 HydrophobicContact CG-CG2 3.97Å; V80-V82 PolarHBondContact O-N 2.99Å; V80-V99 HydrophobicContact CG1-CG1 3.62Å; V80-V99 HydrophobicContact CG1-CG2 4.3Å
81F88Confident91.9Very high112 Ų11268.3 Ų68.349%0.49133%0.333SS..PPolyproline II helixtrans-72.7123.5176.5-179.4-103.6000111P79 L83P79-F81 PolarHBondContact O-N 3.13Å; F81-L83 HydrophobicContact CD1-CD2 4.43Å; F81-L83 HydrophobicContact CD1-CG 4.33Å; F81-L83 HydrophobicContact CE1-CD1 4.37Å; F81-L83 HydrophobicContact CE1-CD2 3.34Å; F81-L83 HydrophobicContact CE1-CG 3.64Å; F81-L83 HydrophobicContact CZ-CD2 3.59Å; F81-L83 HydrophobicContact CZ-CG 4.33Å
82V92.4Very high92Very high30 Ų3064.9 Ų64.918%0.18231%0.312CS..EExtended strand (participates in β ladder)trans-115.6132.7-177.3-174.70000109.7V80 Y84V80-V82 PolarHBondContact O-N 2.99Å; V82-Y84 HydrophobicContact CB-CE2 3.96Å; V82-Y84 HydrophobicContact CG1-CD1 4.45Å; V82-Y84 HydrophobicContact CG1-CD2 4.32Å; V82-Y84 HydrophobicContact CG1-CE1 3.92Å; V82-Y84 HydrophobicContact CG1-CE2 3.78Å
83L94.1Very high92.3Very high63 Ų6357.8 Ų57.833%0.3329%0.285SS..EExtended strand (participates in β ladder)trans-100.7127.6174.5-69.2171.8000110F81 I98 K100 Y123F81-L83 HydrophobicContact CD1-CD2 4.43Å; F81-L83 HydrophobicContact CD1-CG 4.33Å; F81-L83 HydrophobicContact CE1-CD1 4.37Å; F81-L83 HydrophobicContact CE1-CD2 3.34Å; F81-L83 HydrophobicContact CE1-CG 3.64Å; F81-L83 HydrophobicContact CZ-CD2 3.59Å; F81-L83 HydrophobicContact CZ-CG 4.33Å; L83-I98 HydrophobicContact CB-CB 4.18Å; L83-I98 PolarHBondContact N-O 3.18Å; L83-I98 WeakPolarHBondContact O-CB 3.45Å; L83-I98 PolarHBondContact O-N 2.84Å; L83-K100 HydrophobicContact CD1-CB 4.35Å; L83-Y123 HydrophobicContact CD1-CE1 4.24Å
84Y94.9Very high92.5Very high61 Ų6154.1 Ų54.124%0.23927%0.269CS..  trans-107.9114.7178.4-62.3-83.6000110.5V82 G95 E96 H173V82-Y84 HydrophobicContact CB-CE2 3.96Å; V82-Y84 HydrophobicContact CG1-CD1 4.45Å; V82-Y84 HydrophobicContact CG1-CD2 4.32Å; V82-Y84 HydrophobicContact CG1-CE1 3.92Å; V82-Y84 HydrophobicContact CG1-CE2 3.78Å; Y84-G95 PolarHBondContact OH-O 3.24Å; Y84-G95 VanDerWaalsContact OH-O 3.08Å; Y84-E96 WeakPolarHBondContact CE1-O 3.46Å; Y84-H173 AromaticContact CD1-CE1 3.69Å; Y84-H173 AromaticContact CD1-ND1 3.43Å; Y84-H173 WeakPolarHBondContact CD1-ND1 3.27Å; Y84-H173 AromaticContact CD2-CD2 3.97Å; Y84-H173 AromaticContact CD2-CE1 3.06Å; Y84-H173 WeakPolarHBondContact CD2-CE1 3.42Å; Y84-H173 AromaticContact CD2-ND1 3.68Å; Y84-H173 AromaticContact CD2-NE2 3.25Å; Y84-H173 VanDerWaalsContact CD2-NE2 3.25Å; Y84-H173 WeakPolarHBondContact CD2-NE2 3.32Å; Y84-H173 HydrophobicContact CE1-CB 4.21Å; Y84-H173 AromaticContact CE1-CE1 3.98Å; Y84-H173 AromaticContact CE1-CG 3.68Å; Y84-H173 AromaticContact CE1-ND1 3.56Å; Y84-H173 AromaticContact CE2-CD2 3.44Å; Y84-H173 VanDerWaalsContact CE2-CD2 3.44Å; Y84-H173 WeakPolarHBondContact CE2-CD2 3.22Å; Y84-H173 AromaticContact CE2-CE1 3.4Å; Y84-H173 VanDerWaalsContact CE2-CE1 3.4Å; Y84-H173 WeakPolarHBondContact CE2-CE1 3.41Å; Y84-H173 AromaticContact CE2-CG 3.83Å; Y84-H173 AromaticContact CE2-ND1 3.79Å; Y84-H173 AromaticContact CE2-NE2 3.16Å; Y84-H173 WeakPolarHBondContact CE2-NE2 3.47Å; Y84-H173 AromaticContact CG-CE1 3.19Å; Y84-H173 AromaticContact CG-ND1 3.46Å; Y84-H173 AromaticContact CG-NE2 3.87Å; Y84-H173 AromaticContact CZ-CD2 3.52Å; Y84-H173 AromaticContact CZ-CE1 3.83Å; Y84-H173 AromaticContact CZ-CG 3.52Å; Y84-H173 AromaticContact CZ-ND1 3.71Å; Y84-H173 AromaticContact CZ-NE2 3.73Å
85P95.7Very high92.7Very high29 Ų2951.6 Ų51.619%0.18826%0.259CS..  trans-77.9159.9174.236.5-37.7000110.5E87 A88 W93 I98P85-E87 WeakPolarHBondContact CB-OE2 3.35Å; P85-E87 PolarHBondContact O-N 3.33Å; P85-E87 VanDerWaalsContact O-N 3.09Å; P85-A88 WeakPolarHBondContact O-CB 3.47Å; P85-A88 PolarHBondContact O-N 3.3Å; P85-W93 HydrophobicContact CG-CH2 3.41Å; P85-W93 VanDerWaalsContact CG-CH2 3.41Å; P85-W93 HydrophobicContact CG-CZ2 4.43Å; P85-W93 HydrophobicContact CG-CZ3 3.79Å; P85-I98 HydrophobicContact CB-CD1 4.34Å; P85-I98 HydrophobicContact CG-CD1 3.94Å
86P95.7Very high93.1Very high91 Ų9151.9 Ų51.959%0.59126%0.26SS*.THydrogen-bonded Turntrans-62.6-18.5-178.126.5-35.3000113.6A88 D89P86-A88 VanDerWaalsContact C-N 3.26Å; P86-A88 PolarHBondContact O-N 3.26Å; P86-D89 PolarHBondContact O-N 3.18Å
87E95.1Very high93.5Very high103 Ų10348.8 Ų48.848%0.48125%0.247SC..THydrogen-bonded Turntrans-67-26.6171.8-65.872.1-156.800112.7P85 D89 K90P85-E87 WeakPolarHBondContact CB-OE2 3.35Å; P85-E87 PolarHBondContact O-N 3.33Å; P85-E87 VanDerWaalsContact O-N 3.09Å; E87-D89 VanDerWaalsContact C-N 3.25Å; E87-D89 PolarHBondContact O-N 3.43Å; E87-K90 PolarHBondContact O-N 2.97Å; E87-K90 VanDerWaalsContact O-N 3.13Å
88A96Very high93.9Very high2 Ų247.9 Ų47.92%0.01724%0.241CC..G310 helixtrans-62.9-34.5177.200000111.9P85 P86 K90 G91 W93P85-A88 WeakPolarHBondContact O-CB 3.47Å; P85-A88 PolarHBondContact O-N 3.3Å; P86-A88 VanDerWaalsContact C-N 3.26Å; P86-A88 PolarHBondContact O-N 3.26Å; A88-K90 PolarHBondContact O-N 3.1Å; A88-G91 PolarHBondContact O-N 3.39Å; A88-G91 VanDerWaalsContact O-N 3.11Å; A88-G91 VanDerWaalsContact O-O 3.14Å; A88-W93 HydrophobicContact CB-CD2 3.69Å; A88-W93 HydrophobicContact CB-CE3 3.63Å; A88-W93 HydrophobicContact CB-CG 4.42Å; A88-W93 HydrophobicContact CB-CH2 3.89Å; A88-W93 HydrophobicContact CB-CZ2 3.89Å; A88-W93 HydrophobicContact CB-CZ3 3.75Å
89D96Very high94.4Very high44 Ų4442.9 Ų42.924%0.23523%0.225CC..G310 helixtrans-62.7-22.8176.8-76.3-19.1000113.2P86 E87 K175 L176P86-D89 PolarHBondContact O-N 3.18Å; E87-D89 VanDerWaalsContact C-N 3.25Å; E87-D89 PolarHBondContact O-N 3.43Å; D89-K175 HydrophobicContact CB-CB 4.03Å; D89-K175 HydrophobicContact CB-CD 4.07Å; D89-K175 HydrophobicContact CB-CG 4.11Å; D89-K175 WeakPolarHBondContact OD2-CD 3.42Å; D89-K175 VanDerWaalsContact OD2-CE 3.26Å; D89-K175 WeakPolarHBondContact OD2-CE 3.36Å; D89-K175 IonicContact OD2-NZ 2.83Å; D89-K175 PolarHBondContact OD2-NZ 3.02Å; D89-L176 VanDerWaalsContact O-CB 3.31Å; D89-L176 WeakPolarHBondContact O-CB 3.46Å; D89-L176 PolarHBondContact O-N 3.39Å
90K96.5Very high94.6Very high151 Ų15145.5 Ų45.566%0.65723%0.23SC*.G310 helixtrans-90.7-5.4-180-56.9-179.9-171.31740113.2E87 A88 L176E87-K90 PolarHBondContact O-N 2.97Å; E87-K90 VanDerWaalsContact O-N 3.13Å; A88-K90 PolarHBondContact O-N 3.1Å; K90-L176 WeakPolarHBondContact O-CD1 3.33Å
91G96.8Very high94.7Very high0 Ų043.7 Ų43.70%022%0.223CC..SBendtrans-130.3-175.7-175.800000112.8A88 T145 S174A88-G91 PolarHBondContact O-N 3.39Å; A88-G91 VanDerWaalsContact O-N 3.11Å; A88-G91 VanDerWaalsContact O-O 3.14Å; G91-T145 CarbonylContact C-O 3.56Å; G91-T145 WeakPolarHBondContact CA-O 3.44Å; G91-T145 WeakPolarHBondContact CA-OG1 3.34Å; G91-S174 VanDerWaalsContact O-CB 3.22Å; G91-S174 WeakPolarHBondContact O-CB 3.42Å; G91-S174 PolarHBondContact O-OG 3.41Å
92L97.2Very high94.9Very high0 Ų045.8 Ų45.80%023%0.228CC..BIsolated β-bridgetrans-11898.4173.1-64.4177.5000109.5L133 V144 T145 V146 T150 L160 L164 L172 L176L92-L133 HydrophobicContact CD1-CD1 4.43Å; L92-V144 HydrophobicContact CB-CG1 4.16Å; L92-V144 HydrophobicContact CD1-CG1 3.92Å; L92-V144 HydrophobicContact CG-CG1 3.76Å; L92-T145 PolarHBondContact N-O 3.22Å; L92-V146 HydrophobicContact CB-CG1 4.33Å; L92-V146 WeakPolarHBondContact O-CA 3.29Å; L92-T150 WeakPolarHBondContact O-CG2 3.43Å; L92-T150 PolarHBondContact O-OG1 3.36Å; L92-L160 HydrophobicContact CD1-CD1 4.13Å; L92-L164 HydrophobicContact CD1-CD2 4.5Å; L92-L164 HydrophobicContact CD2-CD2 4.32Å; L92-L172 HydrophobicContact CD2-CD1 4.02Å; L92-L176 HydrophobicContact CD1-CD2 4.48Å; L92-L176 HydrophobicContact CD2-CD2 3.91Å; L92-L176 HydrophobicContact CG-CD2 4.04Å
93W96.9Very high94.7Very high12 Ų1250.6 Ų50.65%0.04524%0.244CC..  trans-99-14.9-177.1-62.413.9000113.3P85 A88 E96 P126 L128 T147 T150P85-W93 HydrophobicContact CG-CH2 3.41Å; P85-W93 VanDerWaalsContact CG-CH2 3.41Å; P85-W93 HydrophobicContact CG-CZ2 4.43Å; P85-W93 HydrophobicContact CG-CZ3 3.79Å; A88-W93 HydrophobicContact CB-CD2 3.69Å; A88-W93 HydrophobicContact CB-CE3 3.63Å; A88-W93 HydrophobicContact CB-CG 4.42Å; A88-W93 HydrophobicContact CB-CH2 3.89Å; A88-W93 HydrophobicContact CB-CZ2 3.89Å; A88-W93 HydrophobicContact CB-CZ3 3.75Å; W93-E96 WeakPolarHBondContact CB-O 3.47Å; W93-E96 WeakPolarHBondContact O-CB 3.4Å; W93-E96 PolarHBondContact O-N 2.8Å; W93-E96 VanDerWaalsContact O-N 3.16Å; W93-P126 HydrophobicContact CE3-CG 4.01Å; W93-P126 HydrophobicContact CH2-CG 4.45Å; W93-P126 HydrophobicContact CZ3-CG 3.89Å; W93-L128 HydrophobicContact CD2-CD2 3.99Å; W93-L128 VanDerWaalsContact CE2-CD2 3.49Å; W93-L128 HydrophobicContact CG-CD2 4.31Å; W93-L128 HydrophobicContact CH2-CD1 4.2Å; W93-L128 HydrophobicContact CH2-CD2 4.46Å; W93-L128 HydrophobicContact CZ2-CD1 3.57Å; W93-L128 HydrophobicContact CZ2-CD2 3.78Å; W93-L128 HydrophobicContact CZ2-CG 4.31Å; W93-T147 HydrophobicContact CB-CG2 4Å; W93-T147 HydrophobicContact CG-CG2 4.1Å; W93-T147 PolarHBondContact O-OG1 2.9Å; W93-T147 VanDerWaalsContact O-OG1 3.08Å; W93-T150 WeakPolarHBondContact O-CG2 3.47Å
94G94.1Very high94.2Very high3 Ų352.5 Ų52.53%0.03125%0.253CS..THydrogen-bonded Turntrans5950.1173.100000113E96 R149 T150 Y163G94-E96 PolarHBondContact O-N 3.16Å; G94-R149 PolarHBondContact O-NE 3.04Å; G94-T150 VanDerWaalsContact CA-CG2 3.43Å; G94-Y163 WeakPolarHBondContact CA-OH 3.43Å
95G92.6Very high93.5Very high5 Ų551.7 Ų51.75%0.05225%0.252CS..THydrogen-bonded Turntrans73.1-2.1-177.300000114.9Y84 D171Y84-G95 PolarHBondContact OH-O 3.24Å; Y84-G95 VanDerWaalsContact OH-O 3.08Å; G95-D171 PolarHBondContact N-O 2.86Å
96E94.9Very high92.5Very high18 Ų1854.5 Ų54.58%0.08429%0.286CS..  trans-72.5145.7166.6-60.2-167.5159.400109.9V54 H55 Y84 W93 G94 P126 T147 R149V54-E96 HydrophobicContact CG1-CG 3.97Å; H55-E96 IonicContact CE1-OE1 3.11Å; H55-E96 PolarHBondContact CE1-OE1 2.99Å; H55-E96 IonicContact NE2-OE1 3.46Å; H55-E96 PolarHBondContact NE2-OE1 2.87Å; Y84-E96 WeakPolarHBondContact CE1-O 3.46Å; W93-E96 WeakPolarHBondContact CB-O 3.47Å; W93-E96 WeakPolarHBondContact O-CB 3.4Å; W93-E96 PolarHBondContact O-N 2.8Å; W93-E96 VanDerWaalsContact O-N 3.16Å; G94-E96 PolarHBondContact O-N 3.16Å; E96-P126 HydrophobicContact CB-CB 4.25Å; E96-T147 HydrophobicContact CB-CG2 4.31Å; E96-T147 WeakPolarHBondContact OE2-CB 3.44Å; E96-T147 VanDerWaalsContact OE2-CG2 3.27Å; E96-T147 WeakPolarHBondContact OE2-CG2 3.49Å; E96-T147 PolarHBondContact OE2-OG1 3.13Å; E96-R149 HydrophobicContact CG-CB 4.08Å; E96-R149 HydrophobicContact CG-CG 4.45Å; E96-R149 WeakPolarHBondContact OE1-CB 3.38Å
97G95.2Very high91.2Very high5 Ų554 Ų545%0.05228%0.278CS..  trans-159.6-164.6172.800000110.2V99G97-V99 PolarHBondContact O-N 3.22Å
98I96.5Very high89.8Confident23 Ų2359.9 Ų59.912%0.11830%0.296CS..EExtended strand (participates in β ladder)trans-82115.9-177.7-57.1166000108.5L83 P85 Y123 W124 F125L83-I98 HydrophobicContact CB-CB 4.18Å; L83-I98 PolarHBondContact N-O 3.18Å; L83-I98 WeakPolarHBondContact O-CB 3.45Å; L83-I98 PolarHBondContact O-N 2.84Å; P85-I98 HydrophobicContact CB-CD1 4.34Å; P85-I98 HydrophobicContact CG-CD1 3.94Å; I98-Y123 HydrophobicContact CG2-CD1 3.95Å; I98-W124 WeakPolarHBondContact CA-O 3.45Å; I98-F125 HydrophobicContact CD1-CD1 3.78Å; I98-F125 HydrophobicContact CD1-CE1 3.6Å; I98-F125 HydrophobicContact CG1-CD1 3.72Å; I98-F125 HydrophobicContact CG1-CE1 3.99Å; I98-F125 HydrophobicContact CG2-CD1 4.27Å; I98-F125 HydrophobicContact CG2-CE1 4.17Å
99V95.5Very high88.2Confident28 Ų2864.8 Ų64.817%0.1733%0.327CS..EExtended strand (participates in β ladder)trans-87.2130.9175.7179.20000108.9V80 G97 Y123 W124V80-V99 HydrophobicContact CG1-CG1 3.62Å; V80-V99 HydrophobicContact CG1-CG2 4.3Å; G97-V99 PolarHBondContact O-N 3.22Å; V99-Y123 WeakPolarHBondContact O-CA 3.46Å; V99-W124 HydrophobicContact CB-CB 4.33Å; V99-W124 HydrophobicContact CB-CE3 4.47Å; V99-W124 HydrophobicContact CG1-CE3 4.29Å; V99-W124 PolarHBondContact N-O 2.87Å; V99-W124 PolarHBondContact O-N 3.12Å
100K92.5Very high86.5Confident117 Ų11770.9 Ų70.951%0.50935%0.347SS..EExtended strand (participates in β ladder)trans-104.2137.7174.4-178.5-177.5178.7-176.20109.8L83 Y123L83-K100 HydrophobicContact CD1-CB 4.35Å; K100-Y123 HydrophobicContact CB-CD1 4.06Å; K100-Y123 HydrophobicContact CB-CE1 3.87Å; K100-Y123 HydrophobicContact CD-CE1 3.92Å; K100-Y123 HydrophobicContact CG-CD1 4.19Å; K100-Y123 HydrophobicContact CG-CE1 3.65Å
101G92.3Very high85.1Confident20 Ų2073.4 Ų73.421%0.20636%0.358CS..EExtended strand (participates in β ladder)trans178.9-154.6176.800000113S122G101-S122 PolarHBondContact N-O 2.87Å; G101-S122 PolarHBondContact O-N 3.26Å; G101-S122 VanDerWaalsContact O-O 3.12Å
102Y91.1Very high83.5Confident156 Ų15683 Ų8361%0.61240%0.4SS*.EExtended strand (participates in β ladder)trans-125.4135.2-176.8-60-89.3000110.8W119 L120 P121Y102-W119 HydrophobicContact CD1-CB 4.29Å; Y102-L120 CarbonylContact C-O 3.5Å; Y102-L120 VanDerWaalsContact CA-O 3.28Å; Y102-L120 WeakPolarHBondContact CA-O 3.37Å; Y102-P121 HydrophobicContact CD1-CB 4.29Å; Y102-P121 HydrophobicContact CE1-CB 4.13Å
103R89.6Confident81.6Confident132 Ų13290.3 Ų90.350%0.49843%0.427SS..EExtended strand (participates in β ladder)trans-104.4136.1172-172.7-176.3-59.9-170.31.4109.1M105 L120 W124R103-M105 PolarHBondContact O-N 3.01Å; R103-L120 PolarHBondContact N-O 3.46Å; R103-L120 PolarHBondContact O-N 2.89Å; R103-W124 HydrophobicContact CB-CH2 4.49Å; R103-W124 HydrophobicContact CB-CZ2 4.13Å
104L83.8Confident79.5Confident102 Ų10298.8 Ų98.853%0.53447%0.465SS..EExtended strand (participates in β ladder)trans-66133.4169.8-73.4171.7000110.5G106 D118 W119L104-G106 PolarHBondContact O-N 3.31Å; L104-D118 CarbonylContact C-O 3.56Å; L104-D118 WeakPolarHBondContact CA-O 3.18Å; L104-D118 HydrophobicContact CD2-CB 4.25Å; L104-W119 HydrophobicContact CD1-CH2 4.49Å; L104-W119 HydrophobicContact CD1-CZ3 4.43Å; L104-W119 HydrophobicContact CD2-CD2 3.67Å; L104-W119 HydrophobicContact CD2-CE3 3.55Å; L104-W119 HydrophobicContact CD2-CG 4.44Å; L104-W119 HydrophobicContact CD2-CH2 3.74Å; L104-W119 HydrophobicContact CD2-CZ2 3.83Å; L104-W119 HydrophobicContact CD2-CZ3 3.59Å; L104-W119 HydrophobicContact CG-CE3 4.04Å; L104-W119 HydrophobicContact CG-CH2 4.26Å; L104-W119 HydrophobicContact CG-CZ3 3.85Å
105M80.1Confident77.7Confident44 Ų44104.3 Ų104.322%0.21749%0.493CS..  trans-66.4117.9174.7-171177.663.900108.6R103 I107 D118 L120R103-M105 PolarHBondContact O-N 3.01Å; M105-I107 HydrophobicContact CE-CB 4.14Å; M105-I107 HydrophobicContact CG-CB 3.98Å; M105-I107 HydrophobicContact CG-CD1 4.14Å; M105-I107 HydrophobicContact CG-CG1 4.02Å; M105-I107 PolarHBondContact O-N 3.36Å; M105-I107 HydrophobicContact SD-CB 4.21Å; M105-I107 HydrophobicContact SD-CD1 4.11Å; M105-I107 HydrophobicContact SD-CG1 4.45Å; M105-D118 PolarHBondContact N-O 3.43Å; M105-L120 HydrophobicContact CB-CD1 4.15Å; M105-L120 HydrophobicContact CG-CD1 4.21Å
106G73.5Confident76.1Confident88 Ų88110 Ų11091%0.90753%0.529SS*.  trans-71.510.3178.300000114.8L104L104-G106 PolarHBondContact O-N 3.31Å
107I69Low74.7Confident81 Ų81118.1 Ų118.142%0.41556%0.559SS.*SBendtrans-101.1126-176.8-54.5171.9000107.6M105M105-I107 HydrophobicContact CE-CB 4.14Å; M105-I107 HydrophobicContact CG-CB 3.98Å; M105-I107 HydrophobicContact CG-CD1 4.14Å; M105-I107 HydrophobicContact CG-CG1 4.02Å; M105-I107 PolarHBondContact O-N 3.36Å; M105-I107 HydrophobicContact SD-CB 4.21Å; M105-I107 HydrophobicContact SD-CD1 4.11Å; M105-I107 HydrophobicContact SD-CG1 4.45Å
108R65.8Low73.7Confident227 Ų227121.3 Ų121.386%0.85758%0.575SS**  trans-52.8133.1171.4-66.5-175.1-176.9-178.90.8109.3R110R108-R110 PolarHBondContact O-N 3.36Å
109P62.1Low73.1Confident104 Ų104127 Ų12768%0.67560%0.595SS**  trans-52.9112.2179.617.2-29.3000109.7
110R61.4Low72.7Confident173 Ų173129.8 Ų129.865%0.65361%0.609SS**  trans-77.7132.5174-70.8-172.6-179.7-175.70.7107.2R108 K112 R113R108-R110 PolarHBondContact O-N 3.36Å; R110-K112 PolarHBondContact O-N 3Å; R110-R113 PolarHBondContact O-N 3.04Å
111K66.4Low72.6Confident203 Ų203129.1 Ų129.188%0.88362%0.616SS**THydrogen-bonded Turntrans-47-24.8179.2-66.6-174.5177.8-176.90115.3
112K63.1Low72.7Confident203 Ų203129.4 Ų129.488%0.88362%0.615SS**THydrogen-bonded Turntrans-98.5-8.7-179.1-70.1-171.9177.3-1760115.4R110R110-K112 PolarHBondContact O-N 3Å
113R56.7Low72.9Confident152 Ų152127.7 Ų127.757%0.57461%0.608SS**  trans-102.582.2175.9-75.1-171.7172.2-172.1-3108.9R110 L115R110-R113 PolarHBondContact O-N 3.04Å; R113-L115 PolarHBondContact O-N 3.09Å
114F52.8Low73.2Confident190 Ų190125.9 Ų125.983%0.83360%0.601SS**  trans-74.952.5164.6-75.3-87.8000110.4P116F114-P116 VanDerWaalsContact O-CD 3.24Å; F114-P116 WeakPolarHBondContact O-CD 3.32Å
115L56.5Low73.8Confident119 Ų119127.8 Ų127.862%0.62361%0.606SS**  trans-71.4116.1154.9-76.7169.9000104.3R113 R117R113-L115 PolarHBondContact O-N 3.09Å; L115-R117 PolarHBondContact O-N 2.88Å
116P60.1Low74.5Confident124 Ų124126.9 Ų126.981%0.80560%0.603SS**SBendtrans-66.9-0.1-170.624.7-33.7000113.8F114F114-P116 VanDerWaalsContact O-CD 3.24Å; F114-P116 WeakPolarHBondContact O-CD 3.32Å
117R65Low75.6Confident189 Ų189131.3 Ų131.371%0.71360%0.597SS**  trans-141.6122.7-171.8-65.6-175.1-176.5-94.2-0.8110.2L115 W119L115-R117 PolarHBondContact O-N 2.88Å; R117-W119 PolarHBondContact O-N 3.36Å; R117-W119 VanDerWaalsContact O-N 3.09Å
118D74Confident77Confident73 Ų73131.6 Ų131.639%0.3960%0.599SS.*SBendtrans-72.110.6171.5-63.9-42.8000113.1L104 M105L104-D118 CarbonylContact C-O 3.56Å; L104-D118 WeakPolarHBondContact CA-O 3.18Å; L104-D118 HydrophobicContact CD2-CB 4.25Å; M105-D118 PolarHBondContact N-O 3.43Å
119W83.6Confident78.5Confident141 Ų141122.3 Ų122.353%0.53457%0.566SS.*EExtended strand (participates in β ladder)trans-108.9114-170.6-52.689.1000110.4Y102 L104 R117Y102-W119 HydrophobicContact CD1-CB 4.29Å; L104-W119 HydrophobicContact CD1-CH2 4.49Å; L104-W119 HydrophobicContact CD1-CZ3 4.43Å; L104-W119 HydrophobicContact CD2-CD2 3.67Å; L104-W119 HydrophobicContact CD2-CE3 3.55Å; L104-W119 HydrophobicContact CD2-CG 4.44Å; L104-W119 HydrophobicContact CD2-CH2 3.74Å; L104-W119 HydrophobicContact CD2-CZ2 3.83Å; L104-W119 HydrophobicContact CD2-CZ3 3.59Å; L104-W119 HydrophobicContact CG-CE3 4.04Å; L104-W119 HydrophobicContact CG-CH2 4.26Å; L104-W119 HydrophobicContact CG-CZ3 3.85Å; R117-W119 PolarHBondContact O-N 3.36Å; R117-W119 VanDerWaalsContact O-N 3.09Å
120L86.8Confident80.2Confident88 Ų88121.1 Ų121.146%0.46155%0.554SS.*EExtended strand (participates in β ladder)trans-97.5125.3176.7-70165.7000110.3Y102 R103 M105 S122Y102-L120 CarbonylContact C-O 3.5Å; Y102-L120 VanDerWaalsContact CA-O 3.28Å; Y102-L120 WeakPolarHBondContact CA-O 3.37Å; R103-L120 PolarHBondContact N-O 3.46Å; R103-L120 PolarHBondContact O-N 2.89Å; M105-L120 HydrophobicContact CB-CD1 4.15Å; M105-L120 HydrophobicContact CG-CD1 4.21Å; L120-S122 PolarHBondContact O-N 3.28Å
121P91.4Very high81.9Confident102 Ų102118.3 Ų118.366%0.66254%0.543SS*.EExtended strand (participates in β ladder)trans-61.7130.1172.126.8-32.9000109.6Y102Y102-P121 HydrophobicContact CD1-CB 4.29Å; Y102-P121 HydrophobicContact CE1-CB 4.13Å
122S93.4Very high83.4Confident26 Ų26114.5 Ų114.518%0.18253%0.531CS..EExtended strand (participates in β ladder)trans-141.7147.7-174.4-162.20000110.9G101 L120 W124G101-S122 PolarHBondContact N-O 2.87Å; G101-S122 PolarHBondContact O-N 3.26Å; G101-S122 VanDerWaalsContact O-O 3.12Å; L120-S122 PolarHBondContact O-N 3.28Å; S122-W124 WeakPolarHBondContact O-CZ3 3.36Å
123Y95.3Very high85.1Confident121 Ų121105.4 Ų105.448%0.47549%0.492SS..EExtended strand (participates in β ladder)trans-111.9136.6170.2-67.1-80.1000108.7L83 I98 V99 K100L83-Y123 HydrophobicContact CD1-CE1 4.24Å; I98-Y123 HydrophobicContact CG2-CD1 3.95Å; V99-Y123 WeakPolarHBondContact O-CA 3.46Å; K100-Y123 HydrophobicContact CB-CD1 4.06Å; K100-Y123 HydrophobicContact CB-CE1 3.87Å; K100-Y123 HydrophobicContact CD-CE1 3.92Å; K100-Y123 HydrophobicContact CG-CD1 4.19Å; K100-Y123 HydrophobicContact CG-CE1 3.65Å
124W95.8Very high87Confident93 Ų93101.9 Ų101.935%0.35248%0.48SS..EExtended strand (participates in β ladder)trans-111.5111173.8-66-98000108.7I98 V99 R103 S122I98-W124 WeakPolarHBondContact CA-O 3.45Å; V99-W124 HydrophobicContact CB-CB 4.33Å; V99-W124 HydrophobicContact CB-CE3 4.47Å; V99-W124 HydrophobicContact CG1-CE3 4.29Å; V99-W124 PolarHBondContact N-O 2.87Å; V99-W124 PolarHBondContact O-N 3.12Å; R103-W124 HydrophobicContact CB-CH2 4.49Å; R103-W124 HydrophobicContact CB-CZ2 4.13Å; S122-W124 WeakPolarHBondContact O-CZ3 3.36Å
125F96.2Very high89.1Confident143 Ų14393 Ų9363%0.62744%0.441SS*.  trans-88.4139.6178.2-64.1-92.2000110.2I98I98-F125 HydrophobicContact CD1-CD1 3.78Å; I98-F125 HydrophobicContact CD1-CE1 3.6Å; I98-F125 HydrophobicContact CG1-CD1 3.72Å; I98-F125 HydrophobicContact CG1-CE1 3.99Å; I98-F125 HydrophobicContact CG2-CD1 4.27Å; I98-F125 HydrophobicContact CG2-CE1 4.17Å
126P96.3Very high90.9Very high24 Ų2489.8 Ų89.816%0.15642%0.423CS..  trans-68.1153.2173.729.7-33.9000110.6W93 E96 L128 T147W93-P126 HydrophobicContact CE3-CG 4.01Å; W93-P126 HydrophobicContact CH2-CG 4.45Å; W93-P126 HydrophobicContact CZ3-CG 3.89Å; E96-P126 HydrophobicContact CB-CB 4.25Å; P126-L128 HydrophobicContact CG-CD2 4.2Å; P126-L128 PolarHBondContact O-N 3.13Å; P126-T147 HydrophobicContact CB-CG2 4.15Å
127K96.2Very high92.6Very high181 Ų18183.9 Ų83.979%0.78738%0.384SS*.  trans-83.5108.7174.3-69.7-176.3179.8179.90109.2
128L97.3Very high94.1Very high87 Ų8776.3 Ų76.346%0.45536%0.358SS..EExtended strand (participates in β ladder)trans-91.8143.4178.9-54.4178.8000110.8W93 P126 T147W93-L128 HydrophobicContact CD2-CD2 3.99Å; W93-L128 VanDerWaalsContact CE2-CD2 3.49Å; W93-L128 HydrophobicContact CG-CD2 4.31Å; W93-L128 HydrophobicContact CH2-CD1 4.2Å; W93-L128 HydrophobicContact CH2-CD2 4.46Å; W93-L128 HydrophobicContact CZ2-CD1 3.57Å; W93-L128 HydrophobicContact CZ2-CD2 3.78Å; W93-L128 HydrophobicContact CZ2-CG 4.31Å; P126-L128 HydrophobicContact CG-CD2 4.2Å; P126-L128 PolarHBondContact O-N 3.13Å; L128-T147 HydrophobicContact CD2-CG2 3.78Å
129M97.7Very high95.1Very high32 Ų3275.6 Ų75.616%0.15835%0.354CS..EExtended strand (participates in β ladder)trans-147.2142.7175.659.3-17517200111R131 V146 T147 Q148 M151M129-R131 HydrophobicContact CG-CG 4.17Å; M129-R131 HydrophobicContact SD-CG 4.43Å; M129-R131 PolarHBondContact SD-NH2 3.26Å; M129-V146 HydrophobicContact CE-CG2 4.06Å; M129-V146 HydrophobicContact CG-CG2 3.86Å; M129-V146 WeakPolarHBondContact CG-O 3.29Å; M129-V146 PolarHBondContact N-O 3.26Å; M129-V146 WeakPolarHBondContact O-CG2 3.41Å; M129-V146 PolarHBondContact O-N 3.32Å; M129-T147 WeakPolarHBondContact CE-O 3.15Å; M129-Q148 HydrophobicContact CE-CB 4.36Å; M129-M151 HydrophobicContact CE-CB 4.3Å; M129-M151 HydrophobicContact CE-CG 3.42Å; M129-M151 VanDerWaalsContact CE-CG 3.42Å
130D97.9Very high95.8Very high79 Ų7975.1 Ų75.142%0.42236%0.356SS..EExtended strand (participates in β ladder)trans-80.4126.7173.1-71.6-4.1000109.5K143 T145D130-K143 VanDerWaalsContact CG-CE 3.48Å; D130-K143 WeakPolarHBondContact OD2-CE 3.36Å; D130-K143 IonicContact OD2-NZ 2.91Å; D130-K143 PolarHBondContact OD2-NZ 3.22Å; D130-T145 WeakPolarHBondContact OD1-CG2 3.24Å
131R97.8Very high96.3Very high114 Ų11479.1 Ų79.143%0.4337%0.366SS..EExtended strand (participates in β ladder)trans-132150.5174.5-63.7-65.9178.4-102.76.4110.3M129 K143 V144 V146 M151M129-R131 HydrophobicContact CG-CG 4.17Å; M129-R131 HydrophobicContact SD-CG 4.43Å; M129-R131 PolarHBondContact SD-NH2 3.26Å; R131-K143 WeakPolarHBondContact O-CA 3.37Å; R131-V144 PolarHBondContact N-O 2.83Å; R131-V144 PolarHBondContact O-N 3.38Å; R131-V146 HydrophobicContact CB-CG2 3.67Å; R131-V146 HydrophobicContact CG-CG2 3.38Å; R131-M151 HydrophobicContact CB-SD 4.41Å; R131-M151 HydrophobicContact CG-SD 4.2Å
132I97.9Very high96.5Very high123 Ų12376.1 Ų76.163%0.63134%0.343SS*.EExtended strand (participates in β ladder)trans-94.5117.8172.2-58.8173.5000106.4Y141 M142I132-Y141 HydrophobicContact CG2-CD1 4Å; I132-Y141 HydrophobicContact CG2-CG 4.37Å; I132-M142 CarbonylContact C-O 3.5Å; I132-M142 WeakPolarHBondContact CA-O 3.3Å
133L97.7Very high96.7Very high13 Ų1382 Ų827%0.06837%0.365CS..EExtended strand (participates in β ladder)trans-109.9141.9179.1-59177.4000109.4L92 Y141 M142 V144 V146 M151 I154 L160L92-L133 HydrophobicContact CD1-CD1 4.43Å; L133-Y141 CarbonylContact O-C 3.53Å; L133-Y141 WeakPolarHBondContact O-CA 3.43Å; L133-M142 PolarHBondContact N-O 3.45Å; L133-M142 PolarHBondContact O-N 2.93Å; L133-V144 HydrophobicContact CD1-CB 4.22Å; L133-V144 HydrophobicContact CD1-CG2 4.43Å; L133-V146 HydrophobicContact CD1-CG1 3.97Å; L133-M151 HydrophobicContact CD2-CE 4.44Å; L133-M151 HydrophobicContact CD2-SD 3.98Å; L133-I154 HydrophobicContact CD1-CD1 3.79Å; L133-I154 HydrophobicContact CD2-CD1 4.09Å; L133-L160 HydrophobicContact CB-CD2 3.59Å; L133-L160 HydrophobicContact CD1-CD1 3.93Å; L133-L160 HydrophobicContact CD1-CD2 4.16Å
134Y97.4Very high96.9Very high78 Ų7876.4 Ų76.431%0.30634%0.344SS..EExtended strand (participates in β ladder)trans-99.9135.9176.5177.3-106.3000110.2E136 D139 Y141Y134-E136 HydrophobicContact CE1-CB 4.28Å; Y134-D139 VanDerWaalsContact CE2-OD1 3.24Å; Y134-D139 WeakPolarHBondContact CE2-OD1 3.5Å; Y134-D139 VanDerWaalsContact CZ-OD1 3.28Å; Y134-D139 PolarHBondContact OH-OD1 3.31Å; Y134-Y141 HydrophobicContact CD2-CD1 4Å; Y134-Y141 HydrophobicContact CD2-CD2 4.02Å; Y134-Y141 AromaticContact CD2-CE1 3.74Å; Y134-Y141 HydrophobicContact CD2-CE1 3.74Å; Y134-Y141 AromaticContact CD2-CE2 3.74Å; Y134-Y141 HydrophobicContact CD2-CE2 3.74Å; Y134-Y141 HydrophobicContact CD2-CG 4.14Å; Y134-Y141 AromaticContact CD2-CZ 3.6Å; Y134-Y141 HydrophobicContact CE2-CE2 4.06Å; Y134-Y141 HydrophobicContact CG-CD1 4.42Å; Y134-Y141 HydrophobicContact CG-CE1 4.07Å
135S97.1Very high97Very high2 Ų274.1 Ų74.11%0.01434%0.341CS..EExtended strand (participates in β ladder)trans-109.6126.3171.649.80000108.7D139 K140 D161S135-D139 VanDerWaalsContact O-CA 3.26Å; S135-D139 WeakPolarHBondContact O-CA 3.39Å; S135-D139 PolarHBondContact O-N 2.85Å; S135-K140 PolarHBondContact N-O 3.44Å; S135-K140 PolarHBondContact O-N 2.95Å; S135-K140 VanDerWaalsContact O-N 3.16Å; S135-K140 PolarHBondContact OG-O 2.97Å; S135-D161 WeakPolarHBondContact CA-OD1 3.47Å; S135-D161 WeakPolarHBondContact CB-OD1 2.99Å
136E94.8Very high97Very high53 Ų5367.3 Ų67.325%0.24831%0.311CS..THydrogen-bonded Turntrans-78.6-42.3-175-177.2-178.3-157.800110.8Y134 L138 D139 D161 I202 K205 Y206Y134-E136 HydrophobicContact CE1-CB 4.28Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 3.14Å; E136-D139 PolarHBondContact O-N 3.36Å; E136-D161 PolarHBondContact N-OD2 2.78Å; E136-I202 HydrophobicContact CG-CG1 4.43Å; E136-K205 IonicContact OE1-NZ 2.82Å; E136-K205 PolarHBondContact OE1-NZ 3.48Å; E136-K205 WeakPolarHBondContact OE2-CE 3.03Å; E136-K205 IonicContact OE2-NZ 2.68Å; E136-K205 PolarHBondContact OE2-NZ 3.11Å; E136-Y206 WeakPolarHBondContact OE2-CE2 3.37Å; E136-Y206 PolarHBondContact OE2-OH 3.06Å
137I95.8Very high97.1Very high0 Ų066.2 Ų66.20%030%0.303CS..THydrogen-bonded Turntrans-63.2-40.3179.4-65.7171.6000110.9D161 L165 L184 A187 L188 F193 G194 I202 Y206I137-D161 HydrophobicContact CD1-CB 4.08Å; I137-D161 HydrophobicContact CG1-CB 4.44Å; I137-D161 WeakPolarHBondContact CG1-OD2 3.36Å; I137-D161 PolarHBondContact N-OD2 2.82Å; I137-L165 HydrophobicContact CD1-CD1 3.98Å; I137-L184 HydrophobicContact CB-CD2 3.79Å; I137-L184 HydrophobicContact CD1-CB 4.29Å; I137-L184 HydrophobicContact CD1-CD2 4.04Å; I137-L184 HydrophobicContact CG1-CD2 4.42Å; I137-L184 HydrophobicContact CG2-CD2 4.06Å; I137-A187 HydrophobicContact CG2-CB 3.75Å; I137-L188 HydrophobicContact CD1-CD1 4Å; I137-L188 HydrophobicContact CD1-CD2 4.22Å; I137-L188 HydrophobicContact CD1-CG 4.13Å; I137-F193 HydrophobicContact CG2-CD1 4.16Å; I137-F193 HydrophobicContact CG2-CE1 4.32Å; I137-G194 PolarHBondContact O-N 3.32Å; I137-I202 HydrophobicContact CG1-CG2 4.04Å; I137-Y206 HydrophobicContact CD1-CD1 4.08Å; I137-Y206 HydrophobicContact CD1-CD2 4.02Å; I137-Y206 HydrophobicContact CD1-CE1 4.14Å; I137-Y206 HydrophobicContact CD1-CE2 4.11Å; I137-Y206 HydrophobicContact CD1-CG 4.02Å; I137-Y206 HydrophobicContact CG1-CD2 3.92Å; I137-Y206 HydrophobicContact CG1-CE2 3.78Å; I137-Y206 HydrophobicContact CG1-CG 4.43Å
138L96Very high97.1Very high30 Ų3063.9 Ų63.916%0.15730%0.295CS..THydrogen-bonded Turntrans-92.3-9.5-177.6-55.2176.9000113.5E136 K140 I183 L184 A187E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 3.14Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 HydrophobicContact CB-CB 4.32Å; L138-K140 HydrophobicContact CB-CD 4.3Å; L138-K140 HydrophobicContact CB-CG 4.48Å; L138-K140 WeakPolarHBondContact O-CG 3.18Å; L138-K140 PolarHBondContact O-N 3.49Å; L138-I183 HydrophobicContact CD1-CG2 3.97Å; L138-I183 HydrophobicContact CD2-CG2 3.94Å; L138-L184 HydrophobicContact CD1-CD2 4Å; L138-L184 HydrophobicContact CD2-CD2 4.4Å; L138-L184 HydrophobicContact CG-CD2 3.8Å; L138-A187 HydrophobicContact CD2-CB 4.03Å
139D95.9Very high97.1Very high57 Ų5762.9 Ų62.931%0.30529%0.286SS..THydrogen-bonded Turntrans44.851.1-168-170.943.5000113.1Y134 S135 E136Y134-D139 VanDerWaalsContact CE2-OD1 3.24Å; Y134-D139 WeakPolarHBondContact CE2-OD1 3.5Å; Y134-D139 VanDerWaalsContact CZ-OD1 3.28Å; Y134-D139 PolarHBondContact OH-OD1 3.31Å; S135-D139 VanDerWaalsContact O-CA 3.26Å; S135-D139 WeakPolarHBondContact O-CA 3.39Å; S135-D139 PolarHBondContact O-N 2.85Å; E136-D139 PolarHBondContact O-N 3.36Å
140K96.7Very high97Very high132 Ų13261.4 Ų61.457%0.57428%0.278SS*.EExtended strand (participates in β ladder)trans-134136.8-174.5-77.9172-169176.60112.4S135 L138S135-K140 PolarHBondContact N-O 3.44Å; S135-K140 PolarHBondContact O-N 2.95Å; S135-K140 VanDerWaalsContact O-N 3.16Å; S135-K140 PolarHBondContact OG-O 2.97Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 HydrophobicContact CB-CB 4.32Å; L138-K140 HydrophobicContact CB-CD 4.3Å; L138-K140 HydrophobicContact CB-CG 4.48Å; L138-K140 WeakPolarHBondContact O-CG 3.18Å; L138-K140 PolarHBondContact O-N 3.49Å
141Y97.8Very high97Very high171 Ų17160.3 Ų60.367%0.67127%0.271SS*.EExtended strand (participates in β ladder)trans-87.7129.5165-64.9-87.6000109.6I132 L133 Y134I132-Y141 HydrophobicContact CG2-CD1 4Å; I132-Y141 HydrophobicContact CG2-CG 4.37Å; L133-Y141 CarbonylContact O-C 3.53Å; L133-Y141 WeakPolarHBondContact O-CA 3.43Å; Y134-Y141 HydrophobicContact CD2-CD1 4Å; Y134-Y141 HydrophobicContact CD2-CD2 4.02Å; Y134-Y141 AromaticContact CD2-CE1 3.74Å; Y134-Y141 HydrophobicContact CD2-CE1 3.74Å; Y134-Y141 AromaticContact CD2-CE2 3.74Å; Y134-Y141 HydrophobicContact CD2-CE2 3.74Å; Y134-Y141 HydrophobicContact CD2-CG 4.14Å; Y134-Y141 AromaticContact CD2-CZ 3.6Å; Y134-Y141 HydrophobicContact CE2-CE2 4.06Å; Y134-Y141 HydrophobicContact CG-CD1 4.42Å; Y134-Y141 HydrophobicContact CG-CE1 4.07Å
142M96.4Very high97Very high39 Ų3956.8 Ų56.819%0.19227%0.27CS..EExtended strand (participates in β ladder)trans-130.8136.9178.454.9179.2172.700111.7I132 L133 V144 L160 L180I132-M142 CarbonylContact C-O 3.5Å; I132-M142 WeakPolarHBondContact CA-O 3.3Å; L133-M142 PolarHBondContact N-O 3.45Å; L133-M142 PolarHBondContact O-N 2.93Å; M142-V144 HydrophobicContact CB-CG2 4.3Å; M142-V144 HydrophobicContact CE-CG2 4.46Å; M142-V144 HydrophobicContact CG-CG2 3.8Å; M142-V144 PolarHBondContact O-N 2.84Å; M142-V144 HydrophobicContact SD-CG2 3.99Å; M142-L160 HydrophobicContact CE-CD2 3.01Å; M142-L160 HydrophobicContact CE-CG 4.09Å; M142-L180 HydrophobicContact CE-CD1 3.55Å; M142-L180 HydrophobicContact SD-CD1 3.75Å; M142-L180 HydrophobicContact SD-CD2 4.08Å
143K97.9Very high97Very high149 Ų14951.8 Ų51.865%0.64825%0.245SC*.EExtended strand (participates in β ladder)trans-82.1115.1173.5-171.2-173.8177.7-1640108.8D130 R131D130-K143 VanDerWaalsContact CG-CE 3.48Å; D130-K143 WeakPolarHBondContact OD2-CE 3.36Å; D130-K143 IonicContact OD2-NZ 2.91Å; D130-K143 PolarHBondContact OD2-NZ 3.22Å; R131-K143 WeakPolarHBondContact O-CA 3.37Å
144V97.6Very high97Very high5 Ų552 Ų523%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-127.8139.2-177.9-1750000109.8L92 R131 L133 M142 V146 L176L92-V144 HydrophobicContact CB-CG1 4.16Å; L92-V144 HydrophobicContact CD1-CG1 3.92Å; L92-V144 HydrophobicContact CG-CG1 3.76Å; R131-V144 PolarHBondContact N-O 2.83Å; R131-V144 PolarHBondContact O-N 3.38Å; L133-V144 HydrophobicContact CD1-CB 4.22Å; L133-V144 HydrophobicContact CD1-CG2 4.43Å; M142-V144 HydrophobicContact CB-CG2 4.3Å; M142-V144 HydrophobicContact CE-CG2 4.46Å; M142-V144 HydrophobicContact CG-CG2 3.8Å; M142-V144 PolarHBondContact O-N 2.84Å; M142-V144 HydrophobicContact SD-CG2 3.99Å; V144-V146 HydrophobicContact CB-CG1 4.27Å; V144-V146 HydrophobicContact CG1-CG1 4.04Å; V144-V146 PolarHBondContact O-N 2.95Å; V144-L176 HydrophobicContact CG1-CD2 4.49Å
145T98Very high97Very high45 Ų4554.4 Ų54.428%0.27626%0.264SS..EExtended strand (participates in β ladder)trans-76.8116.2170.345.50000108.7G91 L92 D130G91-T145 CarbonylContact C-O 3.56Å; G91-T145 WeakPolarHBondContact CA-O 3.44Å; G91-T145 WeakPolarHBondContact CA-OG1 3.34Å; L92-T145 PolarHBondContact N-O 3.22Å; D130-T145 WeakPolarHBondContact OD1-CG2 3.24Å
146V97.9Very high97Very high0 Ų060.5 Ų60.50%029%0.29CS..EExtended strand (participates in β ladder)trans-124.8159.2-173.8-65.20000111.6L92 M129 R131 L133 V144 T150 M151L92-V146 HydrophobicContact CB-CG1 4.33Å; L92-V146 WeakPolarHBondContact O-CA 3.29Å; M129-V146 HydrophobicContact CE-CG2 4.06Å; M129-V146 HydrophobicContact CG-CG2 3.86Å; M129-V146 WeakPolarHBondContact CG-O 3.29Å; M129-V146 PolarHBondContact N-O 3.26Å; M129-V146 WeakPolarHBondContact O-CG2 3.41Å; M129-V146 PolarHBondContact O-N 3.32Å; R131-V146 HydrophobicContact CB-CG2 3.67Å; R131-V146 HydrophobicContact CG-CG2 3.38Å; L133-V146 HydrophobicContact CD1-CG1 3.97Å; V144-V146 HydrophobicContact CB-CG1 4.27Å; V144-V146 HydrophobicContact CG1-CG1 4.04Å; V144-V146 PolarHBondContact O-N 2.95Å; V146-T150 WeakPolarHBondContact CB-OG1 3.35Å; V146-M151 HydrophobicContact CG2-CG 4.09Å; V146-M151 HydrophobicContact CG2-SD 4.01Å
147T97.5Very high97.1Very high0 Ų060.2 Ų60.20%029%0.287CS..EExtended strand (participates in β ladder)trans-98.5165.8168.361.70000110.4W93 E96 P126 L128 M129 R149 T150 M151W93-T147 HydrophobicContact CB-CG2 4Å; W93-T147 HydrophobicContact CG-CG2 4.1Å; W93-T147 PolarHBondContact O-OG1 2.9Å; W93-T147 VanDerWaalsContact O-OG1 3.08Å; E96-T147 HydrophobicContact CB-CG2 4.31Å; E96-T147 WeakPolarHBondContact OE2-CB 3.44Å; E96-T147 VanDerWaalsContact OE2-CG2 3.27Å; E96-T147 WeakPolarHBondContact OE2-CG2 3.49Å; E96-T147 PolarHBondContact OE2-OG1 3.13Å; P126-T147 HydrophobicContact CB-CG2 4.15Å; L128-T147 HydrophobicContact CD2-CG2 3.78Å; M129-T147 WeakPolarHBondContact CE-O 3.15Å; T147-R149 PolarHBondContact O-N 3.34Å; T147-T150 PolarHBondContact N-OG1 3.13Å; T147-T150 PolarHBondContact O-N 3.43Å; T147-T150 PolarHBondContact O-OG1 3.49Å; T147-T150 WeakPolarHBondContact OG1-CG2 3.28Å; T147-T150 PolarHBondContact OG1-N 3.07Å; T147-T150 PolarHBondContact OG1-OG1 3.17Å; T147-M151 PolarHBondContact O-N 3.09Å
148Q96.9Very high97Very high132 Ų13269.8 Ų69.862%0.61732%0.324SS*.Hα-helixtrans-63.6-33.2175.5-173.261.140.900111.6M129 G152M129-Q148 HydrophobicContact CE-CB 4.36Å; Q148-G152 PolarHBondContact O-N 3.4Å
149R95.9Very high97Very high67 Ų6769.4 Ų69.425%0.25333%0.328SS..Hα-helixtrans-64.6-44.3174.3176.9-173176.276.50.2111.6G94 E96 T147 M151 G152 L153G94-R149 PolarHBondContact O-NE 3.04Å; E96-R149 HydrophobicContact CG-CB 4.08Å; E96-R149 HydrophobicContact CG-CG 4.45Å; E96-R149 WeakPolarHBondContact OE1-CB 3.38Å; T147-R149 PolarHBondContact O-N 3.34Å; R149-M151 VanDerWaalsContact C-N 3.29Å; R149-M151 PolarHBondContact O-N 3.3Å; R149-G152 CarbonylContact O-C 3.53Å; R149-G152 WeakPolarHBondContact O-CA 3.33Å; R149-G152 PolarHBondContact O-N 2.96Å; R149-L153 HydrophobicContact CG-CD1 4.15Å; R149-L153 HydrophobicContact CG-CG 4.32Å; R149-L153 WeakPolarHBondContact O-CG 3.46Å; R149-L153 PolarHBondContact O-N 2.92Å
150T96.7Very high97.1Very high0 Ų067 Ų670%032%0.316CS..Hα-helixtrans-63.9-36.6179.352.50000112.8L92 W93 G94 V146 T147 G152 L153 I154L92-T150 WeakPolarHBondContact O-CG2 3.43Å; L92-T150 PolarHBondContact O-OG1 3.36Å; W93-T150 WeakPolarHBondContact O-CG2 3.47Å; G94-T150 VanDerWaalsContact CA-CG2 3.43Å; V146-T150 WeakPolarHBondContact CB-OG1 3.35Å; T147-T150 PolarHBondContact N-OG1 3.13Å; T147-T150 PolarHBondContact O-N 3.43Å; T147-T150 PolarHBondContact O-OG1 3.49Å; T147-T150 WeakPolarHBondContact OG1-CG2 3.28Å; T147-T150 PolarHBondContact OG1-N 3.07Å; T147-T150 PolarHBondContact OG1-OG1 3.17Å; T150-G152 VanDerWaalsContact C-N 3.29Å; T150-G152 PolarHBondContact O-N 3.06Å; T150-L153 PolarHBondContact O-N 3.41Å; T150-L153 VanDerWaalsContact O-N 3.14Å; T150-I154 VanDerWaalsContact O-CG1 3.28Å; T150-I154 WeakPolarHBondContact O-CG1 3.25Å; T150-I154 PolarHBondContact O-N 3.46Å
151M97.5Very high97.1Very high57 Ų5760.9 Ų60.928%0.28129%0.289SS..Hα-helixtrans-58.1-42.8169.8-70.3-57.3-56.600112.1M129 R131 L133 V146 T147 R149 L153 I154 D155M129-M151 HydrophobicContact CE-CB 4.3Å; M129-M151 HydrophobicContact CE-CG 3.42Å; M129-M151 VanDerWaalsContact CE-CG 3.42Å; R131-M151 HydrophobicContact CB-SD 4.41Å; R131-M151 HydrophobicContact CG-SD 4.2Å; L133-M151 HydrophobicContact CD2-CE 4.44Å; L133-M151 HydrophobicContact CD2-SD 3.98Å; V146-M151 HydrophobicContact CG2-CG 4.09Å; V146-M151 HydrophobicContact CG2-SD 4.01Å; T147-M151 PolarHBondContact O-N 3.09Å; R149-M151 VanDerWaalsContact C-N 3.29Å; R149-M151 PolarHBondContact O-N 3.3Å; M151-L153 VanDerWaalsContact C-N 3.34Å; M151-L153 PolarHBondContact O-N 3.05Å; M151-I154 PolarHBondContact O-N 3.29Å; M151-D155 WeakPolarHBondContact O-CB 3.02Å; M151-D155 PolarHBondContact O-N 3.41Å
152G97.5Very high97.1Very high39 Ų3954.7 Ų54.740%0.40227%0.265SS..Hα-helixtrans-66.1-32.6174.800000113.9Q148 R149 T150 K156Q148-G152 PolarHBondContact O-N 3.4Å; R149-G152 CarbonylContact O-C 3.53Å; R149-G152 WeakPolarHBondContact O-CA 3.33Å; R149-G152 PolarHBondContact O-N 2.96Å; T150-G152 VanDerWaalsContact C-N 3.29Å; T150-G152 PolarHBondContact O-N 3.06Å; G152-K156 WeakPolarHBondContact O-CB 3.45Å; G152-K156 PolarHBondContact O-N 3.07Å
153L97.3Very high97.2Very high18 Ų1852.9 Ų52.99%0.09426%0.256CS..Hα-helixtrans-71.2-44.5174.9-67.1172.7000111.3R149 T150 M151 D155 K156 Y157 Y163R149-L153 HydrophobicContact CG-CD1 4.15Å; R149-L153 HydrophobicContact CG-CG 4.32Å; R149-L153 WeakPolarHBondContact O-CG 3.46Å; R149-L153 PolarHBondContact O-N 2.92Å; T150-L153 PolarHBondContact O-N 3.41Å; T150-L153 VanDerWaalsContact O-N 3.14Å; M151-L153 VanDerWaalsContact C-N 3.34Å; M151-L153 PolarHBondContact O-N 3.05Å; L153-D155 VanDerWaalsContact C-N 3.26Å; L153-D155 PolarHBondContact O-N 3.34Å; L153-K156 WeakPolarHBondContact O-CB 3.32Å; L153-K156 PolarHBondContact O-N 3.4Å; L153-K156 VanDerWaalsContact O-N 3.14Å; L153-Y157 WeakPolarHBondContact O-CD2 3.4Å; L153-Y157 PolarHBondContact O-N 2.68Å; L153-Y163 HydrophobicContact CB-CD2 3.79Å; L153-Y163 HydrophobicContact CB-CE2 3.59Å; L153-Y163 HydrophobicContact CD1-CE2 3.78Å; L153-Y163 HydrophobicContact CG-CE2 4.28Å
154I97.5Very high97.2Very high18 Ų1845.8 Ų45.89%0.09223%0.226CC..Hα-helixtrans-57.5-43.1175.7-69.5165.3000110.5L133 T150 M151 Y157 Y158 G159 L160 Y163L133-I154 HydrophobicContact CD1-CD1 3.79Å; L133-I154 HydrophobicContact CD2-CD1 4.09Å; T150-I154 VanDerWaalsContact O-CG1 3.28Å; T150-I154 WeakPolarHBondContact O-CG1 3.25Å; T150-I154 PolarHBondContact O-N 3.46Å; M151-I154 PolarHBondContact O-N 3.29Å; I154-Y157 PolarHBondContact O-N 2.79Å; I154-Y158 PolarHBondContact O-N 2.83Å; I154-G159 PolarHBondContact O-N 3.32Å; I154-L160 HydrophobicContact CD1-CD1 4.02Å; I154-L160 HydrophobicContact CG1-CD1 4.27Å; I154-Y163 HydrophobicContact CG1-CD1 3.94Å; I154-Y163 HydrophobicContact CG1-CG 4.1Å
155D97.6Very high97.1Very high128 Ų12846 Ų4668%0.68423%0.226SC*.Hα-helixtrans-64.4-44.5175.3-169.151.5000111.8M151 L153 Y157 Y158M151-D155 WeakPolarHBondContact O-CB 3.02Å; M151-D155 PolarHBondContact O-N 3.41Å; L153-D155 VanDerWaalsContact C-N 3.26Å; L153-D155 PolarHBondContact O-N 3.34Å; D155-Y157 VanDerWaalsContact C-N 3.29Å; D155-Y157 PolarHBondContact O-N 3.48Å; D155-Y158 PolarHBondContact O-N 2.73Å
156K97.5Very high97Very high131 Ų13147.8 Ų47.857%0.5723%0.232SC*.Hα-helixtrans-58.5-37.2176.3-177.3-171.2174.3-163.50113.2G152 L153 Y158G152-K156 WeakPolarHBondContact O-CB 3.45Å; G152-K156 PolarHBondContact O-N 3.07Å; L153-K156 WeakPolarHBondContact O-CB 3.32Å; L153-K156 PolarHBondContact O-N 3.4Å; L153-K156 VanDerWaalsContact O-N 3.14Å; K156-Y158 VanDerWaalsContact C-N 3.35Å
157Y96.7Very high97Very high46 Ų4648.1 Ų48.118%0.1823%0.234CC..THydrogen-bonded Turntrans-91.78.1178.9-69-71.6000113.4L153 I154 D155 G159 F162 Y163 E166 T167L153-Y157 WeakPolarHBondContact O-CD2 3.4Å; L153-Y157 PolarHBondContact O-N 2.68Å; I154-Y157 PolarHBondContact O-N 2.79Å; D155-Y157 VanDerWaalsContact C-N 3.29Å; D155-Y157 PolarHBondContact O-N 3.48Å; Y157-G159 VanDerWaalsContact C-N 3.26Å; Y157-G159 PolarHBondContact O-N 3.39Å; Y157-F162 WeakPolarHBondContact O-CB 3.43Å; Y157-Y163 AromaticContact CD2-CD2 3.64Å; Y157-Y163 HydrophobicContact CD2-CD2 3.64Å; Y157-Y163 HydrophobicContact CD2-CG 4.34Å; Y157-Y163 AromaticContact CE2-CD2 3.91Å; Y157-Y163 HydrophobicContact CE2-CD2 3.91Å; Y157-E166 HydrophobicContact CD1-CB 4.26Å; Y157-E166 HydrophobicContact CD1-CG 4.29Å; Y157-E166 HydrophobicContact CE1-CB 4.16Å; Y157-E166 HydrophobicContact CE1-CG 3.87Å; Y157-T167 HydrophobicContact CE2-CG2 3.79Å
158Y95.2Very high96.9Very high201 Ų20149.7 Ų49.779%0.78824%0.244SC*.THydrogen-bonded Turntrans57.533.9178.9-57.2-77.5000114.6I154 D155 K156I154-Y158 PolarHBondContact O-N 2.83Å; D155-Y158 PolarHBondContact O-N 2.73Å; K156-Y158 VanDerWaalsContact C-N 3.35Å
159G95.8Very high96.8Very high23 Ų2344.3 Ų44.324%0.23722%0.219CC..SBendtrans146.5160.6178.100000113.2I154 Y157 Y163I154-G159 PolarHBondContact O-N 3.32Å; Y157-G159 VanDerWaalsContact C-N 3.26Å; Y157-G159 PolarHBondContact O-N 3.39Å; G159-Y163 WeakPolarHBondContact O-CB 3.31Å; G159-Y163 PolarHBondContact O-N 2.6Å; G159-Y163 VanDerWaalsContact O-N 3.13Å
160L97.2Very high96.7Very high7 Ų742 Ų424%0.03721%0.212CC..Hα-helixtrans-69.6-43.1-179.4175.260.6000112.4L92 L133 M142 I154 Y163 L164L92-L160 HydrophobicContact CD1-CD1 4.13Å; L133-L160 HydrophobicContact CB-CD2 3.59Å; L133-L160 HydrophobicContact CD1-CD1 3.93Å; L133-L160 HydrophobicContact CD1-CD2 4.16Å; M142-L160 HydrophobicContact CE-CD2 3.01Å; M142-L160 HydrophobicContact CE-CG 4.09Å; I154-L160 HydrophobicContact CD1-CD1 4.02Å; I154-L160 HydrophobicContact CG1-CD1 4.27Å; L160-Y163 HydrophobicContact CD1-CD1 4.36Å; L160-Y163 WeakPolarHBondContact O-CB 3.27Å; L160-Y163 PolarHBondContact O-N 3.29Å; L160-L164 HydrophobicContact CD1-CD1 4.02Å; L160-L164 HydrophobicContact CD1-CG 4.16Å; L160-L164 HydrophobicContact CG-CD1 4.11Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 2.87Å
161D97.2Very high96.6Very high3 Ų342.7 Ų42.72%0.01622%0.216CC..Hα-helixtrans-66.8-43.2-176-64.9-5.6000110.4S135 E136 I137 L164 L165 L184 Y206S135-D161 WeakPolarHBondContact CA-OD1 3.47Å; S135-D161 WeakPolarHBondContact CB-OD1 2.99Å; E136-D161 PolarHBondContact N-OD2 2.78Å; I137-D161 HydrophobicContact CD1-CB 4.08Å; I137-D161 HydrophobicContact CG1-CB 4.44Å; I137-D161 WeakPolarHBondContact CG1-OD2 3.36Å; I137-D161 PolarHBondContact N-OD2 2.82Å; D161-L164 PolarHBondContact O-N 3.44Å; D161-L165 WeakPolarHBondContact O-CB 3.44Å; D161-L165 VanDerWaalsContact O-CG 3.22Å; D161-L165 WeakPolarHBondContact O-CG 3.27Å; D161-L165 PolarHBondContact O-N 3.4Å; D161-L184 HydrophobicContact CB-CD1 4.27Å; D161-Y206 HydrophobicContact CB-CE1 4.06Å
162F97.6Very high96.4Very high40 Ų4040 Ų4018%0.17520%0.203CC..Hα-helixtrans-61.8-42.9171.9-78.5-56000113Y157 L164 L165 E166 K205 Y206 Y209Y157-F162 WeakPolarHBondContact O-CB 3.43Å; F162-L164 VanDerWaalsContact C-N 3.32Å; F162-L164 PolarHBondContact O-N 3.15Å; F162-L165 PolarHBondContact O-N 3.12Å; F162-E166 VanDerWaalsContact O-CB 3.24Å; F162-E166 WeakPolarHBondContact O-CB 3.5Å; F162-E166 PolarHBondContact O-N 3.25Å; F162-K205 HydrophobicContact CE2-CD 4.3Å; F162-K205 HydrophobicContact CE2-CG 4.22Å; F162-K205 HydrophobicContact CZ-CD 4.16Å; F162-K205 HydrophobicContact CZ-CG 3.6Å; F162-Y206 HydrophobicContact CD1-CD1 4.07Å; F162-Y206 AromaticContact CD1-CE1 3.61Å; F162-Y206 HydrophobicContact CD1-CE1 3.61Å; F162-Y206 HydrophobicContact CD2-CE1 4.22Å; F162-Y206 AromaticContact CE1-CD1 3.74Å; F162-Y206 HydrophobicContact CE1-CD1 3.74Å; F162-Y206 AromaticContact CE1-CE1 3.51Å; F162-Y206 HydrophobicContact CE1-CE1 3.51Å; F162-Y206 HydrophobicContact CE2-CE1 4.18Å; F162-Y206 AromaticContact CG-CE1 3.96Å; F162-Y206 HydrophobicContact CG-CE1 3.96Å; F162-Y206 HydrophobicContact CZ-CD1 4.29Å; F162-Y206 AromaticContact CZ-CE1 3.82Å; F162-Y206 HydrophobicContact CZ-CE1 3.82Å; F162-Y209 HydrophobicContact CD1-CE2 4.02Å; F162-Y209 HydrophobicContact CE1-CE2 4.07Å
163Y97.5Very high96.2Very high1 Ų140.9 Ų40.90%0.00420%0.197CC..Hα-helixtrans-55.9-49.2174.5165.3-109.4000110.9G94 L153 I154 Y157 G159 L160 T167 L172G94-Y163 WeakPolarHBondContact CA-OH 3.43Å; L153-Y163 HydrophobicContact CB-CD2 3.79Å; L153-Y163 HydrophobicContact CB-CE2 3.59Å; L153-Y163 HydrophobicContact CD1-CE2 3.78Å; L153-Y163 HydrophobicContact CG-CE2 4.28Å; I154-Y163 HydrophobicContact CG1-CD1 3.94Å; I154-Y163 HydrophobicContact CG1-CG 4.1Å; Y157-Y163 AromaticContact CD2-CD2 3.64Å; Y157-Y163 HydrophobicContact CD2-CD2 3.64Å; Y157-Y163 HydrophobicContact CD2-CG 4.34Å; Y157-Y163 AromaticContact CE2-CD2 3.91Å; Y157-Y163 HydrophobicContact CE2-CD2 3.91Å; G159-Y163 WeakPolarHBondContact O-CB 3.31Å; G159-Y163 PolarHBondContact O-N 2.6Å; G159-Y163 VanDerWaalsContact O-N 3.13Å; L160-Y163 HydrophobicContact CD1-CD1 4.36Å; L160-Y163 WeakPolarHBondContact O-CB 3.27Å; L160-Y163 PolarHBondContact O-N 3.29Å; Y163-T167 HydrophobicContact CD2-CG2 3.63Å; Y163-T167 HydrophobicContact CE2-CG2 3.61Å; Y163-T167 VanDerWaalsContact O-CB 3.27Å; Y163-T167 WeakPolarHBondContact O-CB 3.31Å; Y163-T167 VanDerWaalsContact O-CG2 3.22Å; Y163-T167 WeakPolarHBondContact O-CG2 2.96Å; Y163-T167 PolarHBondContact O-N 2.89Å; Y163-T167 VanDerWaalsContact O-N 3.09Å; Y163-T167 PolarHBondContact O-OG1 3.37Å; Y163-L172 HydrophobicContact CE1-CD1 3.77Å; Y163-L172 WeakPolarHBondContact OH-CD1 3.35Å
164L97.5Very high96.1Very high1 Ų140.3 Ų40.31%0.00519%0.194CC..Hα-helixtrans-67.6-36.8-179-69.5173000113.2L92 L160 D161 F162 L172 L180 K181 L184L92-L164 HydrophobicContact CD1-CD2 4.5Å; L92-L164 HydrophobicContact CD2-CD2 4.32Å; L160-L164 HydrophobicContact CD1-CD1 4.02Å; L160-L164 HydrophobicContact CD1-CG 4.16Å; L160-L164 HydrophobicContact CG-CD1 4.11Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 2.87Å; D161-L164 PolarHBondContact O-N 3.44Å; F162-L164 VanDerWaalsContact C-N 3.32Å; F162-L164 PolarHBondContact O-N 3.15Å; L164-L172 HydrophobicContact CD2-CD1 3.98Å; L164-L172 HydrophobicContact CD2-CD2 3.96Å; L164-L180 HydrophobicContact CD1-CB 3.79Å; L164-L180 HydrophobicContact CD1-CD1 3.99Å; L164-K181 WeakPolarHBondContact O-CD 3.43Å; L164-K181 WeakPolarHBondContact O-CE 3.4Å; L164-K181 WeakPolarHBondContact O-CG 3.25Å; L164-L184 HydrophobicContact CB-CD1 4.03Å; L164-L184 HydrophobicContact CD1-CD1 3.8Å
165L97.3Very high96Very high8 Ų843.8 Ų43.84%0.04221%0.208CC..Hα-helixtrans-77.6-44.2-177.4-70172.3000112.4I137 D161 F162 K181 L184 L185 L188 Y206 Y209I137-L165 HydrophobicContact CD1-CD1 3.98Å; D161-L165 WeakPolarHBondContact O-CB 3.44Å; D161-L165 VanDerWaalsContact O-CG 3.22Å; D161-L165 WeakPolarHBondContact O-CG 3.27Å; D161-L165 PolarHBondContact O-N 3.4Å; F162-L165 PolarHBondContact O-N 3.12Å; L165-K181 HydrophobicContact CD2-CG 4.45Å; L165-K181 WeakPolarHBondContact O-CE 3.43Å; L165-K181 PolarHBondContact O-NZ 3.1Å; L165-L184 HydrophobicContact CD2-CB 4.21Å; L165-L185 HydrophobicContact CD2-CD2 3.64Å; L165-L185 HydrophobicContact CD2-CG 3.78Å; L165-L188 HydrophobicContact CD1-CD1 4.19Å; L165-Y206 HydrophobicContact CD1-CD1 3.67Å; L165-Y206 HydrophobicContact CD1-CE1 4.06Å; L165-Y209 HydrophobicContact CB-CD1 3.86Å; L165-Y209 HydrophobicContact CB-CD2 4.25Å; L165-Y209 HydrophobicContact CB-CE1 3.92Å; L165-Y209 HydrophobicContact CB-CE2 4.31Å; L165-Y209 HydrophobicContact CB-CG 4.01Å; L165-Y209 HydrophobicContact CD1-CD2 3.89Å; L165-Y209 HydrophobicContact CD1-CE2 4.42Å; L165-Y209 HydrophobicContact CD1-CG 4.04Å; L165-Y209 HydrophobicContact CG-CG 4.44Å
166E96.1Very high96Very high83 Ų8339.9 Ų39.939%0.38819%0.187SC..Hα-helixtrans-77.4-34.6-177.3-166.671.6177.600112.2Y157 F162 K208 Y209Y157-E166 HydrophobicContact CD1-CB 4.26Å; Y157-E166 HydrophobicContact CD1-CG 4.29Å; Y157-E166 HydrophobicContact CE1-CB 4.16Å; Y157-E166 HydrophobicContact CE1-CG 3.87Å; F162-E166 VanDerWaalsContact O-CB 3.24Å; F162-E166 WeakPolarHBondContact O-CB 3.5Å; F162-E166 PolarHBondContact O-N 3.25Å; E166-K208 IonicContact OE1-NZ 3.99Å; E166-K208 PolarHBondContact OE1-NZ 2.55Å; E166-K208 IonicContact OE2-NZ 3.14Å; E166-K208 PolarHBondContact OE2-NZ 3.11Å; E166-Y209 VanDerWaalsContact OE2-CE1 3.26Å; E166-Y209 WeakPolarHBondContact OE2-CE1 3.08Å; E166-Y209 VanDerWaalsContact OE2-CZ 3.28Å; E166-Y209 PolarHBondContact OE2-OH 3.28Å
167T96Very high95.9Very high7 Ų733.6 Ų33.64%0.04316%0.16CC..SBendtrans-70.7134.7178.955.60000111.8Y157 Y163 K181Y157-T167 HydrophobicContact CE2-CG2 3.79Å; Y163-T167 HydrophobicContact CD2-CG2 3.63Å; Y163-T167 HydrophobicContact CE2-CG2 3.61Å; Y163-T167 VanDerWaalsContact O-CB 3.27Å; Y163-T167 WeakPolarHBondContact O-CB 3.31Å; Y163-T167 VanDerWaalsContact O-CG2 3.22Å; Y163-T167 WeakPolarHBondContact O-CG2 2.96Å; Y163-T167 PolarHBondContact O-N 2.89Å; Y163-T167 VanDerWaalsContact O-N 3.09Å; Y163-T167 PolarHBondContact O-OG1 3.37Å; T167-K181 PolarHBondContact O-NZ 2.96Å
168P95.6Very high96Very high34 Ų3432.1 Ų32.122%0.22116%0.156CC..  trans-70.6151.9173.832.8-36000109.9P170 D171 L172P168-P170 HydrophobicContact CB-CG 4.25Å; P168-D171 HydrophobicContact CG-CB 3.9Å; P168-D171 WeakPolarHBondContact CG-OD2 3.47Å; P168-D171 PolarHBondContact O-N 2.97Å; P168-D171 VanDerWaalsContact O-N 3.12Å; P168-L172 PolarHBondContact O-N 3.42Å; P168-L172 VanDerWaalsContact O-N 3.15Å
169E94.9Very high96.1Very high18 Ų1824.9 Ų24.98%0.08413%0.131CC..Hα-helixtrans-57.9-40.7-176.7-60.373.6-16000114.6R42 N46 D171 L172 H173 K181R42-E169 IonicContact CZ-OE1 2.99Å; R42-E169 IonicContact CZ-OE2 2.75Å; R42-E169 IonicContact NH1-OE1 3.26Å; R42-E169 PolarHBondContact NH1-OE1 2.96Å; R42-E169 IonicContact NH1-OE2 2.8Å; R42-E169 VanDerWaalsContact NH2-CG 3.29Å; R42-E169 IonicContact NH2-OE1 3.16Å; R42-E169 PolarHBondContact NH2-OE1 3.01Å; R42-E169 IonicContact NH2-OE2 2.87Å; R42-E169 PolarHBondContact NH2-OE2 3.4Å; N46-E169 PolarHBondContact ND2-OE2 3.48Å; N46-E169 PolarHBondContact OD1-OE2 3.16Å; E169-D171 VanDerWaalsContact C-N 3.3Å; E169-D171 PolarHBondContact O-N 3.17Å; E169-L172 PolarHBondContact O-N 3.14Å; E169-H173 PolarHBondContact O-N 2.86Å; E169-K181 HydrophobicContact CG-CD 4.47Å; E169-K181 WeakPolarHBondContact OE1-CD 3.38Å; E169-K181 WeakPolarHBondContact OE1-CE 3.26Å; E169-K181 IonicContact OE1-NZ 3.74Å; E169-K181 PolarHBondContact OE1-NZ 3.35Å
170P93.7Very high96.1Very high18 Ų1825 Ų2512%0.11713%0.126CC..Hα-helixtrans-59.7-35.8174.420.7-34.9000113.7H49 E51 P168 H173H49-P170 HydrophobicContact CB-CG 3.87Å; H49-P170 WeakPolarHBondContact CD2-CG 3.4Å; E51-P170 HydrophobicContact CG-CB 4.32Å; P168-P170 HydrophobicContact CB-CG 4.25Å; P170-H173 PolarHBondContact O-N 3.23Å
171D94.7Very high96.2Very high15 Ų1525.2 Ų25.28%0.0813%0.127CC..Hα-helixtrans-78.1-27.9-179.5-66.8-26.5000112.4H49 E51 E52 G95 P168 E169 H173H49-D171 IonicContact CD2-OD1 3.08Å; H49-D171 IonicContact CD2-OD2 3.55Å; H49-D171 IonicContact CE1-OD2 2.83Å; H49-D171 IonicContact NE2-OD1 2.79Å; H49-D171 IonicContact NE2-OD2 3.73Å; H49-D171 PolarHBondContact NE2-OD2 2.69Å; E51-D171 WeakPolarHBondContact CA-OD1 3.16Å; E52-D171 PolarHBondContact N-OD1 3.46Å; G95-D171 PolarHBondContact N-O 2.86Å; P168-D171 HydrophobicContact CG-CB 3.9Å; P168-D171 WeakPolarHBondContact CG-OD2 3.47Å; P168-D171 PolarHBondContact O-N 2.97Å; P168-D171 VanDerWaalsContact O-N 3.12Å; E169-D171 VanDerWaalsContact C-N 3.3Å; E169-D171 PolarHBondContact O-N 3.17Å; D171-H173 VanDerWaalsContact C-N 3.31Å
172L94.7Very high96.2Very high0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-66.5-37.6173.5-171.655.2000111.5L92 Y163 L164 P168 E169 S174 G177L92-L172 HydrophobicContact CD2-CD1 4.02Å; Y163-L172 HydrophobicContact CE1-CD1 3.77Å; Y163-L172 WeakPolarHBondContact OH-CD1 3.35Å; L164-L172 HydrophobicContact CD2-CD1 3.98Å; L164-L172 HydrophobicContact CD2-CD2 3.96Å; P168-L172 PolarHBondContact O-N 3.42Å; P168-L172 VanDerWaalsContact O-N 3.15Å; E169-L172 PolarHBondContact O-N 3.14Å; L172-S174 PolarHBondContact O-N 3.5Å; L172-S174 VanDerWaalsContact O-N 3.11Å; L172-G177 VanDerWaalsContact CD2-CA 3.45Å
173H92.3Very high96.1Very high59 Ų5929.6 Ų29.627%0.27315%0.147SC..  trans46.140.9176.8-153.6-62000113.9Y84 E169 P170 D171Y84-H173 AromaticContact CD1-CE1 3.69Å; Y84-H173 AromaticContact CD1-ND1 3.43Å; Y84-H173 WeakPolarHBondContact CD1-ND1 3.27Å; Y84-H173 AromaticContact CD2-CD2 3.97Å; Y84-H173 AromaticContact CD2-CE1 3.06Å; Y84-H173 WeakPolarHBondContact CD2-CE1 3.42Å; Y84-H173 AromaticContact CD2-ND1 3.68Å; Y84-H173 AromaticContact CD2-NE2 3.25Å; Y84-H173 VanDerWaalsContact CD2-NE2 3.25Å; Y84-H173 WeakPolarHBondContact CD2-NE2 3.32Å; Y84-H173 HydrophobicContact CE1-CB 4.21Å; Y84-H173 AromaticContact CE1-CE1 3.98Å; Y84-H173 AromaticContact CE1-CG 3.68Å; Y84-H173 AromaticContact CE1-ND1 3.56Å; Y84-H173 AromaticContact CE2-CD2 3.44Å; Y84-H173 VanDerWaalsContact CE2-CD2 3.44Å; Y84-H173 WeakPolarHBondContact CE2-CD2 3.22Å; Y84-H173 AromaticContact CE2-CE1 3.4Å; Y84-H173 VanDerWaalsContact CE2-CE1 3.4Å; Y84-H173 WeakPolarHBondContact CE2-CE1 3.41Å; Y84-H173 AromaticContact CE2-CG 3.83Å; Y84-H173 AromaticContact CE2-ND1 3.79Å; Y84-H173 AromaticContact CE2-NE2 3.16Å; Y84-H173 WeakPolarHBondContact CE2-NE2 3.47Å; Y84-H173 AromaticContact CG-CE1 3.19Å; Y84-H173 AromaticContact CG-ND1 3.46Å; Y84-H173 AromaticContact CG-NE2 3.87Å; Y84-H173 AromaticContact CZ-CD2 3.52Å; Y84-H173 AromaticContact CZ-CE1 3.83Å; Y84-H173 AromaticContact CZ-CG 3.52Å; Y84-H173 AromaticContact CZ-ND1 3.71Å; Y84-H173 AromaticContact CZ-NE2 3.73Å; E169-H173 PolarHBondContact O-N 2.86Å; P170-H173 PolarHBondContact O-N 3.23Å; D171-H173 VanDerWaalsContact C-N 3.31Å
174S95.1Very high96.1Very high5 Ų529.6 Ų29.64%0.03515%0.147CC..  trans-148.4129.6-179.6166.90000111.6G91 L172 L176 G177 C178G91-S174 VanDerWaalsContact O-CB 3.22Å; G91-S174 WeakPolarHBondContact O-CB 3.42Å; G91-S174 PolarHBondContact O-OG 3.41Å; L172-S174 PolarHBondContact O-N 3.5Å; L172-S174 VanDerWaalsContact O-N 3.11Å; S174-L176 PolarHBondContact OG-N 2.86Å; S174-G177 PolarHBondContact O-N 3.17Å; S174-G177 PolarHBondContact OG-N 3.24Å; S174-C178 PolarHBondContact O-N 3.46Å; S174-C178 PolarHBondContact O-SG 3Å
175K96.1Very high96.2Very high91 Ų9129.8 Ų29.840%0.39615%0.148SC..Hα-helixtrans-62.5-41.5172.9-69.7-178.2-176.4141.80112.5D89 G177 C178 N179D89-K175 HydrophobicContact CB-CB 4.03Å; D89-K175 HydrophobicContact CB-CD 4.07Å; D89-K175 HydrophobicContact CB-CG 4.11Å; D89-K175 WeakPolarHBondContact OD2-CD 3.42Å; D89-K175 VanDerWaalsContact OD2-CE 3.26Å; D89-K175 WeakPolarHBondContact OD2-CE 3.36Å; D89-K175 IonicContact OD2-NZ 2.83Å; D89-K175 PolarHBondContact OD2-NZ 3.02Å; K175-G177 VanDerWaalsContact C-N 3.27Å; K175-G177 PolarHBondContact O-N 2.97Å; K175-C178 PolarHBondContact O-N 2.73Å; K175-N179 VanDerWaalsContact O-CB 3.32Å; K175-N179 WeakPolarHBondContact O-CB 3.46Å; K175-N179 VanDerWaalsContact O-CG 3.23Å; K175-N179 PolarHBondContact O-N 3.39Å; K175-N179 PolarHBondContact O-ND2 3Å; K175-N179 VanDerWaalsContact O-ND2 3.11Å
176L96.7Very high96.2Very high46 Ų4630.7 Ų30.724%0.24115%0.153CC..Hα-helixtrans-57-46.9174.1179.9159.4000110D89 K90 L92 V144 S174 N179 L180D89-L176 VanDerWaalsContact O-CB 3.31Å; D89-L176 WeakPolarHBondContact O-CB 3.46Å; D89-L176 PolarHBondContact O-N 3.39Å; K90-L176 WeakPolarHBondContact O-CD1 3.33Å; L92-L176 HydrophobicContact CD1-CD2 4.48Å; L92-L176 HydrophobicContact CD2-CD2 3.91Å; L92-L176 HydrophobicContact CG-CD2 4.04Å; V144-L176 HydrophobicContact CG1-CD2 4.49Å; S174-L176 PolarHBondContact OG-N 2.86Å; L176-N179 PolarHBondContact O-N 2.91Å; L176-L180 HydrophobicContact CD2-CD1 3.38Å; L176-L180 HydrophobicContact CD2-CG 3.87Å; L176-L180 HydrophobicContact CG-CD1 4.47Å; L176-L180 WeakPolarHBondContact O-CG 3.41Å; L176-L180 PolarHBondContact O-N 2.78Å
177G97Very high96.2Very high0 Ų027.2 Ų27.20%014%0.138CC..Hα-helixtrans-59.9-48.5178.900000112.8L172 S174 K175 N179 L180 K181L172-G177 VanDerWaalsContact CD2-CA 3.45Å; S174-G177 PolarHBondContact O-N 3.17Å; S174-G177 PolarHBondContact OG-N 3.24Å; K175-G177 VanDerWaalsContact C-N 3.27Å; K175-G177 PolarHBondContact O-N 2.97Å; G177-N179 VanDerWaalsContact C-N 3.3Å; G177-N179 PolarHBondContact O-N 3.46Å; G177-L180 PolarHBondContact O-N 3.34Å; G177-K181 WeakPolarHBondContact O-CB 2.97Å; G177-K181 PolarHBondContact O-N 2.83Å
178C97Very high96.2Very high14 Ų1426.9 Ų26.910%0.09514%0.136CC..Hα-helixtrans-60.4-39.6175.9-72.50000112.5S174 K175 K181 R182 G220S174-C178 PolarHBondContact O-N 3.46Å; S174-C178 PolarHBondContact O-SG 3Å; K175-C178 PolarHBondContact O-N 2.73Å; C178-K181 PolarHBondContact O-N 3Å; C178-R182 PolarHBondContact O-N 3.5Å; C178-G220 WeakPolarHBondContact CB-O 3.16Å
179N97.2Very high96.3Very high50 Ų5026.6 Ų26.627%0.26714%0.137SC..Hα-helixtrans-65.8-44.8176.5-77-34.6000112.2K175 L176 G177 R182 I183K175-N179 VanDerWaalsContact O-CB 3.32Å; K175-N179 WeakPolarHBondContact O-CB 3.46Å; K175-N179 VanDerWaalsContact O-CG 3.23Å; K175-N179 PolarHBondContact O-N 3.39Å; K175-N179 PolarHBondContact O-ND2 3Å; K175-N179 VanDerWaalsContact O-ND2 3.11Å; L176-N179 PolarHBondContact O-N 2.91Å; G177-N179 VanDerWaalsContact C-N 3.3Å; G177-N179 PolarHBondContact O-N 3.46Å; N179-R182 PolarHBondContact O-N 2.94Å; N179-R182 PolarHBondContact OD1-NH2 3.32Å; N179-I183 VanDerWaalsContact O-CG1 3.29Å; N179-I183 WeakPolarHBondContact O-CG1 3.35Å; N179-I183 PolarHBondContact O-N 3.49Å
180L97.5Very high96.3Very high24 Ų2432.3 Ų32.313%0.12616%0.157CC..Hα-helixtrans-61.7-46.1174.3-72.3-177.8000111M142 L164 L176 G177 R182 I183 L184M142-L180 HydrophobicContact CE-CD1 3.55Å; M142-L180 HydrophobicContact SD-CD1 3.75Å; M142-L180 HydrophobicContact SD-CD2 4.08Å; L164-L180 HydrophobicContact CD1-CB 3.79Å; L164-L180 HydrophobicContact CD1-CD1 3.99Å; L176-L180 HydrophobicContact CD2-CD1 3.38Å; L176-L180 HydrophobicContact CD2-CG 3.87Å; L176-L180 HydrophobicContact CG-CD1 4.47Å; L176-L180 WeakPolarHBondContact O-CG 3.41Å; L176-L180 PolarHBondContact O-N 2.78Å; G177-L180 PolarHBondContact O-N 3.34Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 3.36Å; L180-I183 PolarHBondContact O-N 3.31Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.45Å; L180-L184 PolarHBondContact O-N 3.07Å
181K97.8Very high96.2Very high13 Ų1340.2 Ų40.26%0.05719%0.185CC..Hα-helixtrans-53.6-46.7176.4-172.3177.3-167.5170.80111.6L164 L165 T167 E169 G177 C178 L184 L185 V219L164-K181 WeakPolarHBondContact O-CD 3.43Å; L164-K181 WeakPolarHBondContact O-CE 3.4Å; L164-K181 WeakPolarHBondContact O-CG 3.25Å; L165-K181 HydrophobicContact CD2-CG 4.45Å; L165-K181 WeakPolarHBondContact O-CE 3.43Å; L165-K181 PolarHBondContact O-NZ 3.1Å; T167-K181 PolarHBondContact O-NZ 2.96Å; E169-K181 HydrophobicContact CG-CD 4.47Å; E169-K181 WeakPolarHBondContact OE1-CD 3.38Å; E169-K181 WeakPolarHBondContact OE1-CE 3.26Å; E169-K181 IonicContact OE1-NZ 3.74Å; E169-K181 PolarHBondContact OE1-NZ 3.35Å; G177-K181 WeakPolarHBondContact O-CB 2.97Å; G177-K181 PolarHBondContact O-N 2.83Å; C178-K181 PolarHBondContact O-N 3Å; K181-L184 PolarHBondContact O-N 3.35Å; K181-L185 HydrophobicContact CG-CD1 4.13Å; K181-L185 VanDerWaalsContact O-CG 3.3Å; K181-L185 WeakPolarHBondContact O-CG 3.26Å; K181-L185 PolarHBondContact O-N 3.33Å; K181-V219 HydrophobicContact CD-CG1 4.41Å; K181-V219 HydrophobicContact CG-CG1 4.37Å
182R97.4Very high96Very high54 Ų5446 Ų4620%0.20421%0.211CC..Hα-helixtrans-60.2-45.7174.6175.2171.155.2166.8-5.1112.7C178 N179 L180 L184 L185 L186 A216 E217 V219C178-R182 PolarHBondContact O-N 3.5Å; N179-R182 PolarHBondContact O-N 2.94Å; N179-R182 PolarHBondContact OD1-NH2 3.32Å; L180-R182 VanDerWaalsContact C-N 3.28Å; L180-R182 PolarHBondContact O-N 3.36Å; R182-L184 VanDerWaalsContact C-N 3.32Å; R182-L184 PolarHBondContact O-N 2.97Å; R182-L185 PolarHBondContact O-N 2.81Å; R182-L186 HydrophobicContact CG-CD1 3.98Å; R182-L186 HydrophobicContact CG-CG 4.48Å; R182-L186 WeakPolarHBondContact O-CB 3.44Å; R182-L186 WeakPolarHBondContact O-CG 3.27Å; R182-L186 PolarHBondContact O-N 2.98Å; R182-A216 WeakPolarHBondContact CG-O 3.42Å; R182-E217 VanDerWaalsContact CD-O 3.31Å; R182-E217 WeakPolarHBondContact CD-O 3.09Å; R182-V219 WeakPolarHBondContact CB-O 3.48Å; R182-V219 WeakPolarHBondContact CD-O 3.41Å
183I97.1Very high95.9Very high80 Ų8046.8 Ų46.841%0.4122%0.215SC..Hα-helixtrans-61.6-42178.7-68.7164000110.7L138 N179 L180 L186 A187L138-I183 HydrophobicContact CD1-CG2 3.97Å; L138-I183 HydrophobicContact CD2-CG2 3.94Å; N179-I183 VanDerWaalsContact O-CG1 3.29Å; N179-I183 WeakPolarHBondContact O-CG1 3.35Å; N179-I183 PolarHBondContact O-N 3.49Å; L180-I183 PolarHBondContact O-N 3.31Å; I183-L186 PolarHBondContact O-N 3.48Å; I183-A187 WeakPolarHBondContact O-CB 3.35Å; I183-A187 PolarHBondContact O-N 3.32Å
184L97.4Very high95.8Very high1 Ų145.8 Ų45.81%0.00522%0.221CC..Hα-helixtrans-63-46.1177.2-64.8171.1000111.4I137 L138 D161 L164 L165 L180 K181 R182 L186 A187 L188I137-L184 HydrophobicContact CB-CD2 3.79Å; I137-L184 HydrophobicContact CD1-CB 4.29Å; I137-L184 HydrophobicContact CD1-CD2 4.04Å; I137-L184 HydrophobicContact CG1-CD2 4.42Å; I137-L184 HydrophobicContact CG2-CD2 4.06Å; L138-L184 HydrophobicContact CD1-CD2 4Å; L138-L184 HydrophobicContact CD2-CD2 4.4Å; L138-L184 HydrophobicContact CG-CD2 3.8Å; D161-L184 HydrophobicContact CB-CD1 4.27Å; L164-L184 HydrophobicContact CB-CD1 4.03Å; L164-L184 HydrophobicContact CD1-CD1 3.8Å; L165-L184 HydrophobicContact CD2-CB 4.21Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.45Å; L180-L184 PolarHBondContact O-N 3.07Å; K181-L184 PolarHBondContact O-N 3.35Å; R182-L184 VanDerWaalsContact C-N 3.32Å; R182-L184 PolarHBondContact O-N 2.97Å; L184-L186 VanDerWaalsContact C-N 3.35Å; L184-L186 PolarHBondContact O-N 2.93Å; L184-A187 PolarHBondContact O-N 3.46Å; L184-L188 WeakPolarHBondContact O-CG 3.39Å; L184-L188 PolarHBondContact O-N 3.47Å
185L97.8Very high95.6Very high6 Ų647.3 Ų47.33%0.03123%0.228CC..Hα-helixtrans-63.4-39.3177.5-69.4165.8000112.3L165 K181 R182 L188 A189 Y209 M211 A216 V219L165-L185 HydrophobicContact CD2-CD2 3.64Å; L165-L185 HydrophobicContact CD2-CG 3.78Å; K181-L185 HydrophobicContact CG-CD1 4.13Å; K181-L185 VanDerWaalsContact O-CG 3.3Å; K181-L185 WeakPolarHBondContact O-CG 3.26Å; K181-L185 PolarHBondContact O-N 3.33Å; R182-L185 PolarHBondContact O-N 2.81Å; L185-L188 PolarHBondContact O-N 3.38Å; L185-A189 WeakPolarHBondContact O-CB 3.32Å; L185-A189 PolarHBondContact O-N 3.36Å; L185-Y209 WeakPolarHBondContact CD2-O 3.04Å; L185-M211 HydrophobicContact CD1-CE 3.7Å; L185-M211 HydrophobicContact CD2-CE 4.04Å; L185-M211 HydrophobicContact CG-CE 4.31Å; L185-A216 HydrophobicContact CB-CB 4Å; L185-V219 HydrophobicContact CD1-CB 4.02Å; L185-V219 HydrophobicContact CD1-CG1 3.41Å; L185-V219 VanDerWaalsContact CD1-CG1 3.41Å; L185-V219 HydrophobicContact CD1-CG2 4Å
186L97.6Very high95.3Very high27 Ų2747.8 Ų47.814%0.14124%0.241CC..Hα-helixtrans-67.5-38.7174.7-73.2172000112.5R182 I183 L184 L188 A189 R190 E213 A216 E217R182-L186 HydrophobicContact CG-CD1 3.98Å; R182-L186 HydrophobicContact CG-CG 4.48Å; R182-L186 WeakPolarHBondContact O-CB 3.44Å; R182-L186 WeakPolarHBondContact O-CG 3.27Å; R182-L186 PolarHBondContact O-N 2.98Å; I183-L186 PolarHBondContact O-N 3.48Å; L184-L186 VanDerWaalsContact C-N 3.35Å; L184-L186 PolarHBondContact O-N 2.93Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L186-A189 PolarHBondContact O-N 2.85Å; L186-R190 WeakPolarHBondContact O-CB 3.44Å; L186-R190 WeakPolarHBondContact O-CG 3.5Å; L186-R190 PolarHBondContact O-N 3Å; L186-E213 HydrophobicContact CD2-CG 3.98Å; L186-A216 HydrophobicContact CD2-CB 3.8Å; L186-A216 HydrophobicContact CG-CB 4.2Å; L186-E217 HydrophobicContact CD1-CG 4.42Å; L186-E217 HydrophobicContact CD2-CB 4.39Å; L186-E217 HydrophobicContact CD2-CG 3.61Å
187A96.5Very high95.1Very high9 Ų951.5 Ų51.57%0.07427%0.265CS..Hα-helixtrans-62-41.9174.700000111.2I137 L138 I183 L184 R191 H192I137-A187 HydrophobicContact CG2-CB 3.75Å; L138-A187 HydrophobicContact CD2-CB 4.03Å; I183-A187 WeakPolarHBondContact O-CB 3.35Å; I183-A187 PolarHBondContact O-N 3.32Å; L184-A187 PolarHBondContact O-N 3.46Å; A187-R191 WeakPolarHBondContact O-CA 3.42Å; A187-R191 PolarHBondContact O-N 3.36Å; A187-H192 PolarHBondContact O-N 2.91Å
188L96.8Very high94.8Very high1 Ų155.3 Ų55.31%0.00528%0.282CS..Hα-helixtrans-64.6-46.5174.5-71.3167.8000112I137 L165 L184 L185 L186 R190 R191 F193 Y206I137-L188 HydrophobicContact CD1-CD1 4Å; I137-L188 HydrophobicContact CD1-CD2 4.22Å; I137-L188 HydrophobicContact CD1-CG 4.13Å; L165-L188 HydrophobicContact CD1-CD1 4.19Å; L184-L188 WeakPolarHBondContact O-CG 3.39Å; L184-L188 PolarHBondContact O-N 3.47Å; L185-L188 PolarHBondContact O-N 3.38Å; L186-L188 VanDerWaalsContact C-N 3.32Å; L188-R190 PolarHBondContact O-N 2.95Å; L188-R191 PolarHBondContact O-N 3.48Å; L188-F193 HydrophobicContact CD2-CE1 3.9Å; L188-F193 HydrophobicContact CD2-CZ 4.32Å; L188-Y206 HydrophobicContact CD2-CG 4.44Å
189A96.2Very high94.5Very high28 Ų2856.3 Ų56.323%0.23129%0.289CS..Hα-helixtrans-60.5-44.6179.100000112.2L185 L186 R191 M211 E213L185-A189 WeakPolarHBondContact O-CB 3.32Å; L185-A189 PolarHBondContact O-N 3.36Å; L186-A189 PolarHBondContact O-N 2.85Å; A189-R191 VanDerWaalsContact C-N 3.31Å; A189-R191 PolarHBondContact O-N 2.99Å; A189-M211 WeakPolarHBondContact CB-O 3.4Å; A189-E213 HydrophobicContact CB-CB 4.24Å
190R95.1Very high94.4Very high137 Ų13761.6 Ų61.652%0.51731%0.312SS..Hα-helixtrans-80.8-8.4179.2-65.7175.9179.3166.83.4113.8L186 L188 H192 E213L186-R190 WeakPolarHBondContact O-CB 3.44Å; L186-R190 WeakPolarHBondContact O-CG 3.5Å; L186-R190 PolarHBondContact O-N 3Å; L188-R190 PolarHBondContact O-N 2.95Å; R190-H192 HydrophobicContact CB-CB 4.24Å; R190-H192 PolarHBondContact O-N 3.31Å; R190-E213 IonicContact CZ-OE1 3.89Å; R190-E213 IonicContact NE-OE1 3.2Å; R190-E213 PolarHBondContact NE-OE1 2.97Å; R190-E213 IonicContact NE-OE2 3.97Å; R190-E213 IonicContact NH2-OE1 2.76Å; R190-E213 PolarHBondContact NH2-OE1 3.01Å
191R91.9Very high94.2Very high184 Ų18466.6 Ų66.669%0.69434%0.335SS*.THydrogen-bonded Turntrans53.836.6-171.4-50.9-176.7-179.4-171.4-1.6112.8A187 L188 A189 F193 L203A187-R191 WeakPolarHBondContact O-CA 3.42Å; A187-R191 PolarHBondContact O-N 3.36Å; L188-R191 PolarHBondContact O-N 3.48Å; A189-R191 VanDerWaalsContact C-N 3.31Å; A189-R191 PolarHBondContact O-N 2.99Å; R191-F193 HydrophobicContact CB-CE2 4.11Å; R191-L203 HydrophobicContact CG-CD2 4.34Å
192H91.4Very high94.1Very high137 Ų13766.1 Ų66.163%0.63433%0.333SS*.  trans-103.693.5-178.8-177.3-71.5000109.8A187 R190A187-H192 PolarHBondContact O-N 2.91Å; R190-H192 HydrophobicContact CB-CB 4.24Å; R190-H192 PolarHBondContact O-N 3.31Å
193F93.1Very high94Very high17 Ų1765.4 Ų65.48%0.07533%0.333CS..  trans-98153.1-179.4-53.8-66.8000111.4I137 L188 R191 S199 I202 L203I137-F193 HydrophobicContact CG2-CD1 4.16Å; I137-F193 HydrophobicContact CG2-CE1 4.32Å; L188-F193 HydrophobicContact CD2-CE1 3.9Å; L188-F193 HydrophobicContact CD2-CZ 4.32Å; R191-F193 HydrophobicContact CB-CE2 4.11Å; F193-S199 VanDerWaalsContact CD2-CB 3.46Å; F193-I202 HydrophobicContact CB-CD1 4.36Å; F193-I202 HydrophobicContact CD1-CB 4.36Å; F193-I202 HydrophobicContact CD1-CD1 4.31Å; F193-I202 HydrophobicContact CD1-CG2 3.67Å; F193-I202 HydrophobicContact CE1-CB 4.35Å; F193-I202 HydrophobicContact CE1-CG2 3.5Å; F193-I202 HydrophobicContact CG-CD1 4.38Å; F193-I202 HydrophobicContact CG-CG2 4.49Å; F193-I202 HydrophobicContact CZ-CG2 4.2Å; F193-L203 HydrophobicContact CE2-CD1 4.02Å; F193-L203 HydrophobicContact CE2-CD2 4.06Å; F193-L203 HydrophobicContact CE2-CG 3.71Å; F193-L203 HydrophobicContact CZ-CD1 4.37Å; F193-L203 HydrophobicContact CZ-CD2 3.58Å; F193-L203 HydrophobicContact CZ-CG 3.6Å
194G88.9Confident93.9Very high38 Ų3869.3 Ų69.339%0.39235%0.349SS..SBendtrans-64.5-45.8175.200000112.3I137 P196I137-G194 PolarHBondContact O-N 3.32Å; G194-P196 WeakPolarHBondContact O-CD 3.44Å
195D90.3Very high93.8Very high37 Ų3773.7 Ų73.720%0.19837%0.368CS..  trans-95.9108172.3-87-21.6000110.5T197 K198D195-T197 PolarHBondContact O-N 3.38Å; D195-K198 HydrophobicContact CB-CB 4.42Å; D195-K198 HydrophobicContact CB-CD 4.45Å; D195-K198 PolarHBondContact O-N 3.48Å; D195-K198 IonicContact OD2-NZ 2.82Å; D195-K198 PolarHBondContact OD2-NZ 2.82Å
196P90.2Very high93.8Very high101 Ų10173.5 Ų73.566%0.65637%0.367SS*.G310 helixtrans-67.2-24.4177.525.8-33.3000112.9G194 S199G194-P196 WeakPolarHBondContact O-CD 3.44Å; P196-S199 WeakPolarHBondContact O-CB 3.28Å; P196-S199 PolarHBondContact O-N 2.94Å; P196-S199 PolarHBondContact O-OG 2.94Å
197T92.3Very high93.7Very high123 Ų12374.9 Ų74.976%0.75538%0.383SS*.G310 helixtrans-69.5-32.3-178.749.60000113.5D195D195-T197 PolarHBondContact O-N 3.38Å
198K91.2Very high93.7Very high81 Ų8181.6 Ų81.635%0.35241%0.41SS..G310 helixtrans-97.49.1179.6-61.7175.5-169.8143.70113D195 E200 E201 I202D195-K198 HydrophobicContact CB-CB 4.42Å; D195-K198 HydrophobicContact CB-CD 4.45Å; D195-K198 PolarHBondContact O-N 3.48Å; D195-K198 IonicContact OD2-NZ 2.82Å; D195-K198 PolarHBondContact OD2-NZ 2.82Å; K198-E200 VanDerWaalsContact C-N 3.31Å; K198-E200 PolarHBondContact O-N 2.81Å; K198-E201 PolarHBondContact O-N 3.18Å; K198-I202 HydrophobicContact CB-CD1 4.04Å; K198-I202 HydrophobicContact CB-CG1 4.32Å; K198-I202 VanDerWaalsContact O-CG1 3.26Å; K198-I202 WeakPolarHBondContact O-CG1 3.19Å; K198-I202 PolarHBondContact O-N 3.43Å
199S91.4Very high93.7Very high35 Ų3583.1 Ų83.125%0.24542%0.416CS..Hα-helixtrans-56.6-42-172.754.40000113.3F193 P196 L203F193-S199 VanDerWaalsContact CD2-CB 3.46Å; P196-S199 WeakPolarHBondContact O-CB 3.28Å; P196-S199 PolarHBondContact O-N 2.94Å; P196-S199 PolarHBondContact O-OG 2.94Å; S199-L203 WeakPolarHBondContact O-CB 3.22Å; S199-L203 VanDerWaalsContact O-CG 3.31Å; S199-L203 WeakPolarHBondContact O-CG 3.31Å; S199-L203 PolarHBondContact O-N 2.83Å
200E93.6Very high93.6Very high160 Ų16085.8 Ų85.875%0.74843%0.425SS*.Hα-helixtrans-67.1-45178.1-63.6-177.3169.700112K198 I202 L203 E204K198-E200 VanDerWaalsContact C-N 3.31Å; K198-E200 PolarHBondContact O-N 2.81Å; E200-I202 VanDerWaalsContact C-N 3.34Å; E200-I202 PolarHBondContact O-N 3.41Å; E200-L203 PolarHBondContact O-N 3Å; E200-E204 PolarHBondContact O-N 2.99Å
201E94.7Very high93.6Very high130 Ų13081.8 Ų81.861%0.60741%0.413SS*.Hα-helixtrans-61.4-42.8177.6-60.2179.1171.800111.5K198 E204 K205K198-E201 PolarHBondContact O-N 3.18Å; E201-E204 PolarHBondContact O-N 3.45Å; E201-K205 WeakPolarHBondContact O-CB 3.45Å; E201-K205 PolarHBondContact O-N 3.33Å
202I95Very high93.8Very high3 Ų376.6 Ų76.62%0.01540%0.403CS..Hα-helixtrans-64.7-44.1177.2-66.4168.1000110E136 I137 F193 K198 E200 E204 K205 Y206E136-I202 HydrophobicContact CG-CG1 4.43Å; I137-I202 HydrophobicContact CG1-CG2 4.04Å; F193-I202 HydrophobicContact CB-CD1 4.36Å; F193-I202 HydrophobicContact CD1-CB 4.36Å; F193-I202 HydrophobicContact CD1-CD1 4.31Å; F193-I202 HydrophobicContact CD1-CG2 3.67Å; F193-I202 HydrophobicContact CE1-CB 4.35Å; F193-I202 HydrophobicContact CE1-CG2 3.5Å; F193-I202 HydrophobicContact CG-CD1 4.38Å; F193-I202 HydrophobicContact CG-CG2 4.49Å; F193-I202 HydrophobicContact CZ-CG2 4.2Å; K198-I202 HydrophobicContact CB-CD1 4.04Å; K198-I202 HydrophobicContact CB-CG1 4.32Å; K198-I202 VanDerWaalsContact O-CG1 3.26Å; K198-I202 WeakPolarHBondContact O-CG1 3.19Å; K198-I202 PolarHBondContact O-N 3.43Å; E200-I202 VanDerWaalsContact C-N 3.34Å; E200-I202 PolarHBondContact O-N 3.41Å; I202-E204 VanDerWaalsContact C-N 3.34Å; I202-E204 PolarHBondContact O-N 2.84Å; I202-K205 PolarHBondContact O-N 3.4Å; I202-Y206 HydrophobicContact CG2-CD2 3.68Å; I202-Y206 HydrophobicContact CG2-CE2 4.1Å; I202-Y206 VanDerWaalsContact O-CD2 3.26Å; I202-Y206 WeakPolarHBondContact O-CD2 3.42Å; I202-Y206 PolarHBondContact O-N 3.22Å
203L95Very high94.1Very high38 Ų3873.8 Ų73.820%0.19939%0.391CS..Hα-helixtrans-61.5-42.6177.9-79.5170.3000112.2R191 F193 S199 E200 A207 I210R191-L203 HydrophobicContact CG-CD2 4.34Å; F193-L203 HydrophobicContact CE2-CD1 4.02Å; F193-L203 HydrophobicContact CE2-CD2 4.06Å; F193-L203 HydrophobicContact CE2-CG 3.71Å; F193-L203 HydrophobicContact CZ-CD1 4.37Å; F193-L203 HydrophobicContact CZ-CD2 3.58Å; F193-L203 HydrophobicContact CZ-CG 3.6Å; S199-L203 WeakPolarHBondContact O-CB 3.22Å; S199-L203 VanDerWaalsContact O-CG 3.31Å; S199-L203 WeakPolarHBondContact O-CG 3.31Å; S199-L203 PolarHBondContact O-N 2.83Å; E200-L203 PolarHBondContact O-N 3Å; L203-A207 WeakPolarHBondContact O-CA 3.11Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 3.19Å; L203-I210 HydrophobicContact CD2-CD1 4.08Å
204E95.8Very high94.2Very high163 Ų16380.1 Ų80.176%0.76242%0.421SS*.Hα-helixtrans-63.8-47.2176.2-174.2174.9-164.800111E200 E201 I202 Y206 A207E200-E204 PolarHBondContact O-N 2.99Å; E201-E204 PolarHBondContact O-N 3.45Å; I202-E204 VanDerWaalsContact C-N 3.34Å; I202-E204 PolarHBondContact O-N 2.84Å; E204-Y206 PolarHBondContact O-N 3.34Å; E204-A207 WeakPolarHBondContact O-CB 3.46Å; E204-A207 PolarHBondContact O-N 2.94Å
205K95.8Very high94.5Very high92 Ų9282 Ų8240%0.442%0.419SS..Hα-helixtrans-61.8-40.3-179.3-176.3175.5-176-177.70113.4E136 F162 E201 I202E136-K205 IonicContact OE1-NZ 2.82Å; E136-K205 PolarHBondContact OE1-NZ 3.48Å; E136-K205 WeakPolarHBondContact OE2-CE 3.03Å; E136-K205 IonicContact OE2-NZ 2.68Å; E136-K205 PolarHBondContact OE2-NZ 3.11Å; F162-K205 HydrophobicContact CE2-CD 4.3Å; F162-K205 HydrophobicContact CE2-CG 4.22Å; F162-K205 HydrophobicContact CZ-CD 4.16Å; F162-K205 HydrophobicContact CZ-CG 3.6Å; E201-K205 WeakPolarHBondContact O-CB 3.45Å; E201-K205 PolarHBondContact O-N 3.33Å; I202-K205 PolarHBondContact O-N 3.4Å
206Y96.5Very high94.8Very high2 Ų280.2 Ų80.21%0.00841%0.409CS..THydrogen-bonded Turntrans-104.315.8-176.3-63.6-78.3000113.7E136 I137 D161 F162 L165 L188 I202 E204 K208 Y209E136-Y206 WeakPolarHBondContact OE2-CE2 3.37Å; E136-Y206 PolarHBondContact OE2-OH 3.06Å; I137-Y206 HydrophobicContact CD1-CD1 4.08Å; I137-Y206 HydrophobicContact CD1-CD2 4.02Å; I137-Y206 HydrophobicContact CD1-CE1 4.14Å; I137-Y206 HydrophobicContact CD1-CE2 4.11Å; I137-Y206 HydrophobicContact CD1-CG 4.02Å; I137-Y206 HydrophobicContact CG1-CD2 3.92Å; I137-Y206 HydrophobicContact CG1-CE2 3.78Å; I137-Y206 HydrophobicContact CG1-CG 4.43Å; D161-Y206 HydrophobicContact CB-CE1 4.06Å; F162-Y206 HydrophobicContact CD1-CD1 4.07Å; F162-Y206 AromaticContact CD1-CE1 3.61Å; F162-Y206 HydrophobicContact CD1-CE1 3.61Å; F162-Y206 HydrophobicContact CD2-CE1 4.22Å; F162-Y206 AromaticContact CE1-CD1 3.74Å; F162-Y206 HydrophobicContact CE1-CD1 3.74Å; F162-Y206 AromaticContact CE1-CE1 3.51Å; F162-Y206 HydrophobicContact CE1-CE1 3.51Å; F162-Y206 HydrophobicContact CE2-CE1 4.18Å; F162-Y206 AromaticContact CG-CE1 3.96Å; F162-Y206 HydrophobicContact CG-CE1 3.96Å; F162-Y206 HydrophobicContact CZ-CD1 4.29Å; F162-Y206 AromaticContact CZ-CE1 3.82Å; F162-Y206 HydrophobicContact CZ-CE1 3.82Å; L165-Y206 HydrophobicContact CD1-CD1 3.67Å; L165-Y206 HydrophobicContact CD1-CE1 4.06Å; L188-Y206 HydrophobicContact CD2-CG 4.44Å; I202-Y206 HydrophobicContact CG2-CD2 3.68Å; I202-Y206 HydrophobicContact CG2-CE2 4.1Å; I202-Y206 VanDerWaalsContact O-CD2 3.26Å; I202-Y206 WeakPolarHBondContact O-CD2 3.42Å; I202-Y206 PolarHBondContact O-N 3.22Å; E204-Y206 PolarHBondContact O-N 3.34Å; Y206-K208 PolarHBondContact O-N 3.18Å; Y206-Y209 HydrophobicContact CD1-CD2 4.07Å; Y206-Y209 HydrophobicContact CD1-CE2 4.3Å; Y206-Y209 PolarHBondContact O-N 3.28Å
207A96Very high95.1Very high57 Ų5778 Ų7847%0.47139%0.39SS..G310 helixtrans-52.4-35.4-175.800000113.8L203 E204 Y209 I210L203-A207 WeakPolarHBondContact O-CA 3.11Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 3.19Å; E204-A207 WeakPolarHBondContact O-CB 3.46Å; E204-A207 PolarHBondContact O-N 2.94Å; A207-Y209 PolarHBondContact O-N 3.11Å; A207-I210 PolarHBondContact O-N 3.22Å
208K95.9Very high95.3Very high149 Ų14972.8 Ų72.865%0.64836%0.357SS*.G310 helixtrans-59.3-27.8178-175.8-172.6172.1-161.50113.5E166 Y206E166-K208 IonicContact OE1-NZ 3.99Å; E166-K208 PolarHBondContact OE1-NZ 2.55Å; E166-K208 IonicContact OE2-NZ 3.14Å; E166-K208 PolarHBondContact OE2-NZ 3.11Å; Y206-K208 PolarHBondContact O-N 3.18Å
209Y96.4Very high95.6Very high34 Ų3469.1 Ų69.113%0.13334%0.341CS..G310 helixtrans-103.95.3-171.5-51.1-75.7000113.6F162 L165 E166 L185 Y206 A207 M211F162-Y209 HydrophobicContact CD1-CE2 4.02Å; F162-Y209 HydrophobicContact CE1-CE2 4.07Å; L165-Y209 HydrophobicContact CB-CD1 3.86Å; L165-Y209 HydrophobicContact CB-CD2 4.25Å; L165-Y209 HydrophobicContact CB-CE1 3.92Å; L165-Y209 HydrophobicContact CB-CE2 4.31Å; L165-Y209 HydrophobicContact CB-CG 4.01Å; L165-Y209 HydrophobicContact CD1-CD2 3.89Å; L165-Y209 HydrophobicContact CD1-CE2 4.42Å; L165-Y209 HydrophobicContact CD1-CG 4.04Å; L165-Y209 HydrophobicContact CG-CG 4.44Å; E166-Y209 VanDerWaalsContact OE2-CE1 3.26Å; E166-Y209 WeakPolarHBondContact OE2-CE1 3.08Å; E166-Y209 VanDerWaalsContact OE2-CZ 3.28Å; E166-Y209 PolarHBondContact OE2-OH 3.28Å; L185-Y209 WeakPolarHBondContact CD2-O 3.04Å; Y206-Y209 HydrophobicContact CD1-CD2 4.07Å; Y206-Y209 HydrophobicContact CD1-CE2 4.3Å; Y206-Y209 PolarHBondContact O-N 3.28Å; A207-Y209 PolarHBondContact O-N 3.11Å; Y209-M211 PolarHBondContact O-N 3.23Å
210I95.7Very high95.7Very high83 Ų8368.2 Ų68.243%0.42634%0.337SS..  trans-70122.2177.4-60.6174.8000108.4L203 A207L203-I210 HydrophobicContact CD2-CD1 4.08Å; A207-I210 PolarHBondContact O-N 3.22Å
211M94Very high95.8Very high53 Ų5361.3 Ų61.326%0.26131%0.306SS..  trans-129.2157.3177.4-56.2-169.8-40.700109.9L185 A189 Y209 A216 V219L185-M211 HydrophobicContact CD1-CE 3.7Å; L185-M211 HydrophobicContact CD2-CE 4.04Å; L185-M211 HydrophobicContact CG-CE 4.31Å; A189-M211 WeakPolarHBondContact CB-O 3.4Å; Y209-M211 PolarHBondContact O-N 3.23Å; M211-A216 HydrophobicContact CE-CB 4.42Å; M211-V219 HydrophobicContact CE-CG2 3.56Å
212P97.2Very high95.8Very high75 Ų7558.8 Ų58.849%0.48730%0.296SS..  trans-55.4142.8172.8-22.433.2000111.1E214 E215 A216P212-E214 PolarHBondContact O-N 3.32Å; P212-E215 HydrophobicContact CB-CG 4.34Å; P212-E215 HydrophobicContact CG-CG 4.38Å; P212-E215 PolarHBondContact O-N 2.81Å; P212-A216 WeakPolarHBondContact O-CB 3.49Å; P212-A216 PolarHBondContact O-N 3.08Å
213E96.1Very high95.8Very high79 Ų7959.2 Ų59.237%0.36930%0.298SS..Hα-helixtrans-55.1-42.7178.6-179.3171.6-174.700111.3L186 A189 R190 E215 A216 E217L186-E213 HydrophobicContact CD2-CG 3.98Å; A189-E213 HydrophobicContact CB-CB 4.24Å; R190-E213 IonicContact CZ-OE1 3.89Å; R190-E213 IonicContact NE-OE1 3.2Å; R190-E213 PolarHBondContact NE-OE1 2.97Å; R190-E213 IonicContact NE-OE2 3.97Å; R190-E213 IonicContact NH2-OE1 2.76Å; R190-E213 PolarHBondContact NH2-OE1 3.01Å; E213-E215 PolarHBondContact O-N 3.37Å; E213-A216 PolarHBondContact O-N 3.42Å; E213-E217 WeakPolarHBondContact O-CG 3.03Å; E213-E217 PolarHBondContact O-N 3Å
214E95.7Very high95.8Very high150 Ų15062.3 Ų62.370%0.70132%0.315SS*.Hα-helixtrans-56.2-36.6177.8-63.9-175.9-179.100113F38 P212F38-E214 WeakPolarHBondContact CZ-O 3.34Å; P212-E214 PolarHBondContact O-N 3.32Å
215E96.3Very high95.8Very high76 Ų7657.5 Ų57.536%0.35529%0.293SS..Hα-helixtrans-81.8-42.6177.7-62.7-171.7176.500111.4F38 P212 E213 E217 W218F38-E215 HydrophobicContact CB-CG 4.45Å; F38-E215 HydrophobicContact CD1-CG 3.96Å; F38-E215 HydrophobicContact CD2-CB 4.19Å; F38-E215 HydrophobicContact CD2-CG 4.05Å; F38-E215 HydrophobicContact CE1-CG 4.17Å; F38-E215 HydrophobicContact CE2-CB 4.28Å; F38-E215 HydrophobicContact CE2-CG 4.28Å; F38-E215 HydrophobicContact CG-CG 3.9Å; F38-E215 HydrophobicContact CZ-CG 4.33Å; P212-E215 HydrophobicContact CB-CG 4.34Å; P212-E215 HydrophobicContact CG-CG 4.38Å; P212-E215 PolarHBondContact O-N 2.81Å; E213-E215 PolarHBondContact O-N 3.37Å; E215-E217 VanDerWaalsContact C-N 3.26Å; E215-E217 PolarHBondContact O-N 2.87Å; E215-W218 PolarHBondContact O-N 2.82Å; E215-W218 VanDerWaalsContact O-N 3.12Å
216A96.9Very high95.9Very high0 Ų053.1 Ų53.10%027%0.274CS..Hα-helixtrans-57.5-36.9-178.300000112.4R182 L185 L186 M211 P212 E213 W218 V219R182-A216 WeakPolarHBondContact CG-O 3.42Å; L185-A216 HydrophobicContact CB-CB 4Å; L186-A216 HydrophobicContact CD2-CB 3.8Å; L186-A216 HydrophobicContact CG-CB 4.2Å; M211-A216 HydrophobicContact CE-CB 4.42Å; P212-A216 WeakPolarHBondContact O-CB 3.49Å; P212-A216 PolarHBondContact O-N 3.08Å; E213-A216 PolarHBondContact O-N 3.42Å; A216-W218 PolarHBondContact O-N 2.76Å; A216-V219 WeakPolarHBondContact O-CB 3.46Å; A216-V219 PolarHBondContact O-N 3.15Å
217E96.3Very high95.9Very high55 Ų5553.8 Ų53.826%0.25728%0.279SS..THydrogen-bonded Turntrans-65.1-20.8-179.5-67-168.9160.900114.8R182 L186 E213 E215 K229R182-E217 VanDerWaalsContact CD-O 3.31Å; R182-E217 WeakPolarHBondContact CD-O 3.09Å; L186-E217 HydrophobicContact CD1-CG 4.42Å; L186-E217 HydrophobicContact CD2-CB 4.39Å; L186-E217 HydrophobicContact CD2-CG 3.61Å; E213-E217 WeakPolarHBondContact O-CG 3.03Å; E213-E217 PolarHBondContact O-N 3Å; E215-E217 VanDerWaalsContact C-N 3.26Å; E215-E217 PolarHBondContact O-N 2.87Å; E217-K229 PolarHBondContact O-NZ 2.94Å; E217-K229 IonicContact OE2-NZ 2.75Å; E217-K229 PolarHBondContact OE2-NZ 3.11Å
218W96.8Very high95.9Very high14 Ų1459 Ų595%0.05329%0.286CS..THydrogen-bonded Turntrans-97.9-7.5-179.3-63.981.8000113.1L35 P36 F38 Y39 E215 A216 G220 L221 A226 K229 L230L35-W218 HydrophobicContact CD2-CE3 4.42Å; L35-W218 HydrophobicContact CD2-CH2 4.21Å; L35-W218 HydrophobicContact CD2-CZ3 3.59Å; P36-W218 HydrophobicContact CG-CD2 4.08Å; P36-W218 HydrophobicContact CG-CH2 4.22Å; P36-W218 HydrophobicContact CG-CZ2 3.74Å; F38-W218 HydrophobicContact CE2-CB 3.87Å; F38-W218 AromaticContact CE2-CD1 3.56Å; F38-W218 AromaticContact CE2-CG 3.77Å; F38-W218 HydrophobicContact CE2-CG 3.77Å; F38-W218 AromaticContact CZ-CD1 3.71Å; F38-W218 HydrophobicContact CZ-CG 4.29Å; Y39-W218 HydrophobicContact CD2-CB 3.85Å; Y39-W218 HydrophobicContact CD2-CE3 4.27Å; Y39-W218 WeakPolarHBondContact CD2-O 3.41Å; Y39-W218 WeakPolarHBondContact CE2-O 3.31Å; Y39-W218 HydrophobicContact CG-CB 4.46Å; Y39-W218 HydrophobicContact CG-CE3 4.31Å; E215-W218 PolarHBondContact O-N 2.82Å; E215-W218 VanDerWaalsContact O-N 3.12Å; A216-W218 PolarHBondContact O-N 2.76Å; W218-G220 PolarHBondContact O-N 2.88Å; W218-L221 HydrophobicContact CE3-CD1 4.15Å; W218-A226 HydrophobicContact CE3-CB 4.13Å; W218-A226 HydrophobicContact CZ3-CB 4.03Å; W218-A226 WeakPolarHBondContact CZ3-O 3.47Å; W218-K229 HydrophobicContact CD2-CD 4.38Å; W218-K229 HydrophobicContact CE3-CD 4.34Å; W218-K229 HydrophobicContact CH2-CD 4.13Å; W218-K229 HydrophobicContact CH2-CG 4.37Å; W218-K229 HydrophobicContact CZ2-CD 4.19Å; W218-K229 HydrophobicContact CZ3-CD 4.2Å; W218-L230 HydrophobicContact CH2-CB 3.98Å; W218-L230 HydrophobicContact CH2-CD1 4.07Å
219V95.8Very high96Very high3 Ų353.5 Ų53.52%0.01826%0.262CS..THydrogen-bonded Turntrans-63.3135.1176.6167.80000109.7R42 K181 R182 L185 M211 A216 L221R42-V219 VanDerWaalsContact NH2-CG1 3.26Å; K181-V219 HydrophobicContact CD-CG1 4.41Å; K181-V219 HydrophobicContact CG-CG1 4.37Å; R182-V219 WeakPolarHBondContact CB-O 3.48Å; R182-V219 WeakPolarHBondContact CD-O 3.41Å; L185-V219 HydrophobicContact CD1-CB 4.02Å; L185-V219 HydrophobicContact CD1-CG1 3.41Å; L185-V219 VanDerWaalsContact CD1-CG1 3.41Å; L185-V219 HydrophobicContact CD1-CG2 4Å; M211-V219 HydrophobicContact CE-CG2 3.56Å; A216-V219 WeakPolarHBondContact O-CB 3.46Å; A216-V219 PolarHBondContact O-N 3.15Å; V219-L221 PolarHBondContact O-N 3.24Å
220G93.9Very high96Very high16 Ų1652.7 Ų52.717%0.16526%0.26CS..THydrogen-bonded Turntrans75.2-1.8173.900000115.7R42 C178 W218R42-G220 VanDerWaalsContact NH2-N 3.1Å; C178-G220 WeakPolarHBondContact CB-O 3.16Å; W218-G220 PolarHBondContact O-N 2.88Å
221L96.2Very high95.9Very high16 Ų1652.5 Ų52.58%0.08426%0.257CS..  trans-72.3129.6174.9-74.7178.6000111.4Y39 W218 V219 E225 A226 K229Y39-L221 HydrophobicContact CE2-CB 4.13Å; Y39-L221 PolarHBondContact OH-O 3.01Å; W218-L221 HydrophobicContact CE3-CD1 4.15Å; V219-L221 PolarHBondContact O-N 3.24Å; L221-E225 HydrophobicContact CD2-CB 3.88Å; L221-A226 HydrophobicContact CB-CB 4.13Å; L221-A226 HydrophobicContact CD1-CB 4.44Å; L221-K229 HydrophobicContact CD1-CD 3.68Å
222D94.6Very high96Very high76 Ų7655.8 Ų55.841%0.40627%0.272SS..  trans-64.4156.3167.3-174.731.1000110.6Y39 N224 E225 A226Y39-D222 PolarHBondContact OH-O 3.27Å; D222-N224 PolarHBondContact O-N 3.26Å; D222-E225 HydrophobicContact CB-CB 4.49Å; D222-E225 HydrophobicContact CB-CG 4.2Å; D222-E225 PolarHBondContact O-N 3.07Å; D222-A226 WeakPolarHBondContact O-CB 3.48Å; D222-A226 PolarHBondContact O-N 3.26Å
223L94.6Very high95.9Very high12 Ų1255.9 Ų55.96%0.06327%0.266CS..Hα-helixtrans-54.8-42-176.4-177.464.1000111.8I24 W25 V32 L35 Y39 Y43 C227I24-L223 HydrophobicContact CD1-CD2 4.4Å; I24-L223 HydrophobicContact CG2-CD2 4.18Å; W25-L223 HydrophobicContact CZ2-CD1 4.45Å; V32-L223 HydrophobicContact CG1-CD1 4.01Å; V32-L223 HydrophobicContact CG2-CD1 4.12Å; L35-L223 HydrophobicContact CD1-CD1 4.06Å; Y39-L223 HydrophobicContact CE1-CD1 4.45Å; Y39-L223 WeakPolarHBondContact OH-CA 3.45Å; Y39-L223 PolarHBondContact OH-N 3.05Å; Y43-L223 HydrophobicContact CE2-CB 3.92Å; Y43-L223 HydrophobicContact CE2-CD1 4.29Å; Y43-L223 HydrophobicContact CE2-CD2 4.47Å; Y43-L223 HydrophobicContact CE2-CG 4.46Å; L223-C227 WeakPolarHBondContact O-CB 3.42Å; L223-C227 PolarHBondContact O-N 3.25Å; L223-C227 PolarHBondContact O-SG 2.65Å
224N95.2Very high95.7Very high103 Ų10355.5 Ų55.555%0.55126%0.264SS*.Hα-helixtrans-67.2-41.1177.5-69.9-42.7000112.4D222 C227 R228D222-N224 PolarHBondContact O-N 3.26Å; N224-C227 PolarHBondContact O-N 2.82Å; N224-R228 WeakPolarHBondContact O-CB 3.43Å; N224-R228 VanDerWaalsContact O-CG 3.3Å; N224-R228 WeakPolarHBondContact O-CG 3.42Å; N224-R228 PolarHBondContact O-N 2.88Å
225E96.3Very high95.6Very high63 Ų6355.9 Ų55.929%0.29427%0.266SS..Hα-helixtrans-68.4-39.8178.5-63.9-179.5167.100111.2L221 D222 R228 K229L221-E225 HydrophobicContact CD2-CB 3.88Å; D222-E225 HydrophobicContact CB-CB 4.49Å; D222-E225 HydrophobicContact CB-CG 4.2Å; D222-E225 PolarHBondContact O-N 3.07Å; E225-R228 PolarHBondContact O-N 3.2Å; E225-K229 WeakPolarHBondContact O-CB 3.16Å; E225-K229 PolarHBondContact O-N 3.41Å
226A97.3Very high95.4Very high0 Ų059 Ų590%029%0.285CS..Hα-helixtrans-62.8-44.8174.400000111.6L35 Y39 W218 L221 D222 R228 K229 L230L35-A226 HydrophobicContact CD2-CB 4.02Å; Y39-A226 HydrophobicContact CD1-CB 4.47Å; Y39-A226 HydrophobicContact CE1-CB 3.73Å; Y39-A226 HydrophobicContact CE2-CB 3.9Å; Y39-A226 WeakPolarHBondContact OH-CB 3.3Å; W218-A226 HydrophobicContact CE3-CB 4.13Å; W218-A226 HydrophobicContact CZ3-CB 4.03Å; W218-A226 WeakPolarHBondContact CZ3-O 3.47Å; L221-A226 HydrophobicContact CB-CB 4.13Å; L221-A226 HydrophobicContact CD1-CB 4.44Å; D222-A226 WeakPolarHBondContact O-CB 3.48Å; D222-A226 PolarHBondContact O-N 3.26Å; A226-R228 PolarHBondContact O-N 3.3Å; A226-K229 PolarHBondContact O-N 2.67Å; A226-L230 PolarHBondContact O-N 3.14Å
227C96.4Very high95.1Very high16 Ų1664.1 Ų64.111%0.10832%0.315CS..Hα-helixtrans-62.3-42.7175.8-69.40000111.8V31 L223 N224 L230 Q231V31-C227 HydrophobicContact CB-CB 4.39Å; V31-C227 HydrophobicContact CG1-CB 3.88Å; L223-C227 WeakPolarHBondContact O-CB 3.42Å; L223-C227 PolarHBondContact O-N 3.25Å; L223-C227 PolarHBondContact O-SG 2.65Å; N224-C227 PolarHBondContact O-N 2.82Å; C227-L230 PolarHBondContact O-N 2.75Å; C227-Q231 VanDerWaalsContact O-CG 3.31Å; C227-Q231 WeakPolarHBondContact O-CG 3.25Å; C227-Q231 PolarHBondContact O-N 3.16Å
228R97.2Very high94.4Very high165 Ų16570.4 Ų70.462%0.62334%0.342SS*.Hα-helixtrans-62.9-44.2175.5-75.3173.6178.5173.10.7112N224 E225 A226 L230 Q231 Q232N224-R228 WeakPolarHBondContact O-CB 3.43Å; N224-R228 VanDerWaalsContact O-CG 3.3Å; N224-R228 WeakPolarHBondContact O-CG 3.42Å; N224-R228 PolarHBondContact O-N 2.88Å; E225-R228 PolarHBondContact O-N 3.2Å; A226-R228 PolarHBondContact O-N 3.3Å; R228-L230 VanDerWaalsContact C-N 3.33Å; R228-L230 PolarHBondContact O-N 3.11Å; R228-Q231 PolarHBondContact O-N 3.08Å; R228-Q232 WeakPolarHBondContact O-CG 3.45Å; R228-Q232 PolarHBondContact O-N 3.49Å
229K96.6Very high93.8Very high34 Ų3475.5 Ų75.515%0.14838%0.377CS..Hα-helixtrans-57.2-48.1175.4-177.3-172.6176.3-167.10110.5E217 W218 L221 E225 A226 Q232 Q233E217-K229 PolarHBondContact O-NZ 2.94Å; E217-K229 IonicContact OE2-NZ 2.75Å; E217-K229 PolarHBondContact OE2-NZ 3.11Å; W218-K229 HydrophobicContact CD2-CD 4.38Å; W218-K229 HydrophobicContact CE3-CD 4.34Å; W218-K229 HydrophobicContact CH2-CD 4.13Å; W218-K229 HydrophobicContact CH2-CG 4.37Å; W218-K229 HydrophobicContact CZ2-CD 4.19Å; W218-K229 HydrophobicContact CZ3-CD 4.2Å; L221-K229 HydrophobicContact CD1-CD 3.68Å; E225-K229 WeakPolarHBondContact O-CB 3.16Å; E225-K229 PolarHBondContact O-N 3.41Å; A226-K229 PolarHBondContact O-N 2.67Å; K229-Q232 PolarHBondContact O-N 2.99Å; K229-Q233 WeakPolarHBondContact O-CG 3.06Å; K229-Q233 PolarHBondContact O-N 3.45Å
230L96.4Very high93.1Very high17 Ų1780.9 Ų80.99%0.08940%0.402CS..Hα-helixtrans-61.4-47.9179-172.966.5000111.9V31 R34 L35 W218 A226 C227 R228 Q232 Q233 E234V31-L230 HydrophobicContact CG1-CD2 4.05Å; R34-L230 HydrophobicContact CB-CD2 3.62Å; L35-L230 HydrophobicContact CD2-CB 4.16Å; L35-L230 HydrophobicContact CD2-CD2 4.01Å; L35-L230 HydrophobicContact CG-CD2 4.34Å; W218-L230 HydrophobicContact CH2-CB 3.98Å; W218-L230 HydrophobicContact CH2-CD1 4.07Å; A226-L230 PolarHBondContact O-N 3.14Å; C227-L230 PolarHBondContact O-N 2.75Å; R228-L230 VanDerWaalsContact C-N 3.33Å; R228-L230 PolarHBondContact O-N 3.11Å; L230-Q232 VanDerWaalsContact C-N 3.29Å; L230-Q232 PolarHBondContact O-N 2.75Å; L230-Q233 WeakPolarHBondContact O-CB 3.4Å; L230-Q233 PolarHBondContact O-N 3.16Å; L230-Q233 VanDerWaalsContact O-N 3.1Å; L230-E234 WeakPolarHBondContact O-CG 3.43Å; L230-E234 PolarHBondContact O-N 3.45Å
231Q95.2Very high92.9Very high79 Ų7983 Ų8337%0.36941%0.413SS..Hα-helixtrans-60.1-39.1178.7-74.6174.9-32.200112.3V31 C227 R228 E234 Q235V31-Q231 HydrophobicContact CG1-CG 4.21Å; V31-Q231 HydrophobicContact CG2-CG 4.49Å; C227-Q231 VanDerWaalsContact O-CG 3.31Å; C227-Q231 WeakPolarHBondContact O-CG 3.25Å; C227-Q231 PolarHBondContact O-N 3.16Å; R228-Q231 PolarHBondContact O-N 3.08Å; Q231-E234 PolarHBondContact O-N 3.17Å; Q231-Q235 WeakPolarHBondContact O-CB 3.44Å; Q231-Q235 VanDerWaalsContact O-CG 3.26Å; Q231-Q235 WeakPolarHBondContact O-CG 3.26Å; Q231-Q235 PolarHBondContact O-N 3.32Å
232Q95.8Very high92.7Very high122 Ų12287.9 Ų87.957%0.5744%0.438SS*.Hα-helixtrans-63.9-41.7175-73.8173.5-6.700111.5R228 K229 L230 Q235 L236R228-Q232 WeakPolarHBondContact O-CG 3.45Å; R228-Q232 PolarHBondContact O-N 3.49Å; K229-Q232 PolarHBondContact O-N 2.99Å; L230-Q232 VanDerWaalsContact C-N 3.29Å; L230-Q232 PolarHBondContact O-N 2.75Å; Q232-Q235 PolarHBondContact O-N 3.15Å; Q232-L236 VanDerWaalsContact O-CG 3.27Å; Q232-L236 WeakPolarHBondContact O-CG 3.36Å; Q232-L236 PolarHBondContact O-N 3.38Å; Q232-L236 VanDerWaalsContact O-N 3.09Å
233Q94.3Very high92.7Very high77 Ų7789.3 Ų89.336%0.3645%0.445SS..Hα-helixtrans-61.9-45.5175.2-71.2176.5-30.200111.4K229 L230 Q235 L236 V237K229-Q233 WeakPolarHBondContact O-CG 3.06Å; K229-Q233 PolarHBondContact O-N 3.45Å; L230-Q233 WeakPolarHBondContact O-CB 3.4Å; L230-Q233 PolarHBondContact O-N 3.16Å; L230-Q233 VanDerWaalsContact O-N 3.1Å; Q233-Q235 VanDerWaalsContact C-N 3.32Å; Q233-Q235 PolarHBondContact O-N 3.39Å; Q233-L236 PolarHBondContact O-N 3.47Å; Q233-L236 VanDerWaalsContact O-N 3.17Å; Q233-V237 WeakPolarHBondContact O-CG2 3.34Å; Q233-V237 PolarHBondContact O-N 3.16Å; Q233-V237 VanDerWaalsContact O-N 3.13Å
234E92.4Very high92.6Very high72 Ų7293 Ų9334%0.33646%0.462SS..Hα-helixtrans-61.1-38.6176.7-69.6176.4163.900112.5R34 L230 Q231 L236 V237R34-E234 IonicContact CZ-OE1 3.15Å; R34-E234 IonicContact CZ-OE2 3.4Å; R34-E234 IonicContact NE-OE1 3.13Å; R34-E234 IonicContact NH1-OE1 2.76Å; R34-E234 PolarHBondContact NH1-OE1 2.91Å; R34-E234 IonicContact NH1-OE2 2.68Å; R34-E234 PolarHBondContact NH1-OE2 2.98Å; R34-E234 IonicContact NH2-OE1 3.84Å; R34-E234 PolarHBondContact NH2-OE1 3.48Å; R34-E234 IonicContact NH2-OE2 3.91Å; R34-E234 PolarHBondContact NH2-OE2 3.13Å; L230-E234 WeakPolarHBondContact O-CG 3.43Å; L230-E234 PolarHBondContact O-N 3.45Å; Q231-E234 PolarHBondContact O-N 3.17Å; E234-L236 VanDerWaalsContact C-N 3.31Å; E234-L236 PolarHBondContact O-N 2.77Å; E234-V237 PolarHBondContact O-N 3.3Å
235Q92.2Very high92.4Very high157 Ų15790.4 Ų90.473%0.73445%0.449SS*.Hα-helixtrans-68.7-30176.9-74.5173.86.900112.9Q231 Q232 Q233Q231-Q235 WeakPolarHBondContact O-CB 3.44Å; Q231-Q235 VanDerWaalsContact O-CG 3.26Å; Q231-Q235 WeakPolarHBondContact O-CG 3.26Å; Q231-Q235 PolarHBondContact O-N 3.32Å; Q232-Q235 PolarHBondContact O-N 3.15Å; Q233-Q235 VanDerWaalsContact C-N 3.32Å; Q233-Q235 PolarHBondContact O-N 3.39Å
236L93.8Very high92.4Very high143 Ų14393.8 Ų93.875%0.74946%0.46SS*.Hα-helixtrans-76.4-27.3176.6-70.1171.1000112.2Q232 Q233 E234 K238Q232-L236 VanDerWaalsContact O-CG 3.27Å; Q232-L236 WeakPolarHBondContact O-CG 3.36Å; Q232-L236 PolarHBondContact O-N 3.38Å; Q232-L236 VanDerWaalsContact O-N 3.09Å; Q233-L236 PolarHBondContact O-N 3.47Å; Q233-L236 VanDerWaalsContact O-N 3.17Å; E234-L236 VanDerWaalsContact C-N 3.31Å; E234-L236 PolarHBondContact O-N 2.77Å; L236-K238 PolarHBondContact O-N 2.98Å; L236-K238 VanDerWaalsContact O-N 3.13Å
237V89.7Confident92.3Very high106 Ų106102.3 Ų102.364%0.64249%0.493SS*.SBendtrans-69.4108.2172.2177.60000108.3Q233 E234Q233-V237 WeakPolarHBondContact O-CG2 3.34Å; Q233-V237 PolarHBondContact O-N 3.16Å; Q233-V237 VanDerWaalsContact O-N 3.13Å; E234-V237 PolarHBondContact O-N 3.3Å
238K82.2Confident92.2Very high187 Ų187108 Ų10881%0.81351%0.512SS*.PPolyproline II helixtrans-62.2129.2176.2-66.4-179.8-178.4177.50108.9L236 E240L236-K238 PolarHBondContact O-N 2.98Å; L236-K238 VanDerWaalsContact O-N 3.13Å; K238-E240 PolarHBondContact O-N 3.18Å
239P83.5Confident92.1Very high122 Ų122104.3 Ų104.379%0.79250%0.502SS*.PPolyproline II helixtrans-64129.2175.826.2-32.7000109.2
240E82.2Confident92Very high116 Ų116107.7 Ų107.754%0.54252%0.519SS..PPolyproline II helixtrans-62.1128.4166.1-66.2-166.1171.400107.8K238 L242 V245 R248K238-E240 PolarHBondContact O-N 3.18Å; E240-L242 PolarHBondContact O-N 3.16Å; E240-V245 HydrophobicContact CB-CG2 4.44Å; E240-R248 IonicContact OE2-NH1 2.69Å; E240-R248 PolarHBondContact OE2-NH1 3.09Å; E240-R248 VanDerWaalsContact OE2-NH1 3.16Å
241P89.6Confident91.9Very high61 Ų61109.3 Ų109.340%0.39654%0.535SS..PPolyproline II helixtrans-61.2128.2178.525.3-32.6000109I243 E244P241-I243 PolarHBondContact O-N 3.12Å; P241-E244 HydrophobicContact CG-CB 4.23Å; P241-E244 VanDerWaalsContact CG-CD 3.4Å; P241-E244 HydrophobicContact CG-CG 3.76Å; P241-E244 WeakPolarHBondContact CG-OE1 3.27Å; P241-E244 WeakPolarHBondContact O-CB 3.2Å; P241-E244 PolarHBondContact O-N 3.12Å
242L91.1Very high91.9Very high117 Ų117111.5 Ų111.561%0.61355%0.545SS*.Hα-helixtrans-50.5-30.8-179.3-78.9154.6000113.1E240 E244 V245 Y246E240-L242 PolarHBondContact O-N 3.16Å; L242-E244 VanDerWaalsContact C-N 3.29Å; L242-E244 PolarHBondContact O-N 3.25Å; L242-V245 PolarHBondContact O-N 3.26Å; L242-Y246 HydrophobicContact CB-CD2 4.12Å; L242-Y246 HydrophobicContact CB-CE2 3.81Å; L242-Y246 HydrophobicContact CD2-CE2 4.13Å; L242-Y246 WeakPolarHBondContact O-CD2 3.36Å; L242-Y246 PolarHBondContact O-N 3.25Å
243I94Very high91.8Very high107 Ų107111 Ų11155%0.54954%0.543SS..Hα-helixtrans-57.8-40.9175.7-61.1170.7000111.5P241 R247P241-I243 PolarHBondContact O-N 3.12Å; I243-R247 HydrophobicContact CG2-CG 4.44Å; I243-R247 WeakPolarHBondContact O-CB 3.47Å; I243-R247 WeakPolarHBondContact O-CG 3.31Å; I243-R247 PolarHBondContact O-N 3.42Å
244E92.3Very high91.8Very high89 Ų89112.4 Ų112.442%0.41655%0.55SS..Hα-helixtrans-69-40178.1-72.2176-168.100111.4P241 L242 R247 R248P241-E244 HydrophobicContact CG-CB 4.23Å; P241-E244 VanDerWaalsContact CG-CD 3.4Å; P241-E244 HydrophobicContact CG-CG 3.76Å; P241-E244 WeakPolarHBondContact CG-OE1 3.27Å; P241-E244 WeakPolarHBondContact O-CB 3.2Å; P241-E244 PolarHBondContact O-N 3.12Å; L242-E244 VanDerWaalsContact C-N 3.29Å; L242-E244 PolarHBondContact O-N 3.25Å; E244-R247 PolarHBondContact O-N 3.22Å; E244-R248 WeakPolarHBondContact O-CG 3.29Å; E244-R248 PolarHBondContact O-N 3.42Å
245V92.6Very high91.8Very high48 Ų48114.1 Ų114.129%0.29156%0.557SS.*Hα-helixtrans-62.4-49.7175.2-177.70000110.6E240 L242 R247 R248 Q249E240-V245 HydrophobicContact CB-CG2 4.44Å; L242-V245 PolarHBondContact O-N 3.26Å; V245-R247 VanDerWaalsContact C-N 3.34Å; V245-R247 PolarHBondContact O-N 3.48Å; V245-R248 WeakPolarHBondContact O-CB 3.25Å; V245-R248 PolarHBondContact O-N 2.81Å; V245-Q249 WeakPolarHBondContact O-CG 3.23Å; V245-Q249 PolarHBondContact O-N 3.46Å
246Y95.4Very high91.8Very high135 Ų135112.4 Ų112.453%0.52955%0.549SS..Hα-helixtrans-63.5-38.2177.5-68.8-51.8000112.1L242 R248 Q249 M250L242-Y246 HydrophobicContact CB-CD2 4.12Å; L242-Y246 HydrophobicContact CB-CE2 3.81Å; L242-Y246 HydrophobicContact CD2-CE2 4.13Å; L242-Y246 WeakPolarHBondContact O-CD2 3.36Å; L242-Y246 PolarHBondContact O-N 3.25Å; Y246-R248 VanDerWaalsContact C-N 3.32Å; Y246-R248 PolarHBondContact O-N 3.31Å; Y246-Q249 PolarHBondContact O-N 2.94Å; Y246-M250 WeakPolarHBondContact O-CB 3.39Å; Y246-M250 VanDerWaalsContact O-CG 3.25Å; Y246-M250 WeakPolarHBondContact O-CG 3.5Å; Y246-M250 PolarHBondContact O-N 2.75Å
247R95.6Very high91.7Very high179 Ų179108.2 Ų108.268%0.67554%0.535SS*.Hα-helixtrans-61.5-40.2174.4-79.4172.8179.6-1801.2112.1I243 E244 V245 A251I243-R247 HydrophobicContact CG2-CG 4.44Å; I243-R247 WeakPolarHBondContact O-CB 3.47Å; I243-R247 WeakPolarHBondContact O-CG 3.31Å; I243-R247 PolarHBondContact O-N 3.42Å; E244-R247 PolarHBondContact O-N 3.22Å; V245-R247 VanDerWaalsContact C-N 3.34Å; V245-R247 PolarHBondContact O-N 3.48Å; R247-A251 WeakPolarHBondContact O-CB 3.24Å; R247-A251 PolarHBondContact O-N 3.38Å; R247-A251 VanDerWaalsContact O-N 3.1Å
248R93.6Very high91.7Very high136 Ų136108.9 Ų108.951%0.51353%0.53SS..Hα-helixtrans-63.8-46.8174.6-71.2174.9-175159.25.1110.9E240 E244 V245 Y246 A251 E252E240-R248 IonicContact OE2-NH1 2.69Å; E240-R248 PolarHBondContact OE2-NH1 3.09Å; E240-R248 VanDerWaalsContact OE2-NH1 3.16Å; E244-R248 WeakPolarHBondContact O-CG 3.29Å; E244-R248 PolarHBondContact O-N 3.42Å; V245-R248 WeakPolarHBondContact O-CB 3.25Å; V245-R248 PolarHBondContact O-N 2.81Å; Y246-R248 VanDerWaalsContact C-N 3.32Å; Y246-R248 PolarHBondContact O-N 3.31Å; R248-A251 PolarHBondContact O-N 3.12Å; R248-E252 WeakPolarHBondContact O-CG 3.36Å; R248-E252 PolarHBondContact O-N 3.47Å
249Q95Very high91.9Very high87 Ų87107.7 Ų107.741%0.40752%0.52SS..Hα-helixtrans-62.2-47177.9-71.6176.6-19.700112.8V245 Y246 A251 E252 E253V245-Q249 WeakPolarHBondContact O-CG 3.23Å; V245-Q249 PolarHBondContact O-N 3.46Å; Y246-Q249 PolarHBondContact O-N 2.94Å; Q249-A251 VanDerWaalsContact C-N 3.27Å; Q249-A251 PolarHBondContact O-N 3.41Å; Q249-E252 WeakPolarHBondContact O-CB 3.26Å; Q249-E252 PolarHBondContact O-N 3.21Å; Q249-E252 VanDerWaalsContact O-N 3.13Å; Q249-E253 WeakPolarHBondContact O-CG 3.11Å; Q249-E253 PolarHBondContact O-N 2.97Å
250M95Very high92Very high104 Ų104108.8 Ų108.851%0.51252%0.515SS..Hα-helixtrans-61.1-37.3176.9-67.7-57.1-51.800111.7Y246 E254Y246-M250 WeakPolarHBondContact O-CB 3.39Å; Y246-M250 VanDerWaalsContact O-CG 3.25Å; Y246-M250 WeakPolarHBondContact O-CG 3.5Å; Y246-M250 PolarHBondContact O-N 2.75Å; M250-E254 WeakPolarHBondContact O-CB 3.25Å; M250-E254 WeakPolarHBondContact O-CG 3.47Å; M250-E254 PolarHBondContact O-N 3.29Å
251A94.6Very high92.2Very high52 Ų52108.9 Ų108.943%0.4352%0.515SS..Hα-helixtrans-66.7-39.5175.500000112R247 R248 Q249 E255R247-A251 WeakPolarHBondContact O-CB 3.24Å; R247-A251 PolarHBondContact O-N 3.38Å; R247-A251 VanDerWaalsContact O-N 3.1Å; R248-A251 PolarHBondContact O-N 3.12Å; Q249-A251 VanDerWaalsContact C-N 3.27Å; Q249-A251 PolarHBondContact O-N 3.41Å; A251-E255 WeakPolarHBondContact O-CG 3.4Å; A251-E255 PolarHBondContact O-N 2.83Å
252E94.6Very high91.8Very high124 Ų124113.5 Ų113.558%0.57953%0.529SS*.Hα-helixtrans-64.5-46.2174.1-71.9170.7177.700111.5R248 Q249 E254 E255 E256R248-E252 WeakPolarHBondContact O-CG 3.36Å; R248-E252 PolarHBondContact O-N 3.47Å; Q249-E252 WeakPolarHBondContact O-CB 3.26Å; Q249-E252 PolarHBondContact O-N 3.21Å; Q249-E252 VanDerWaalsContact O-N 3.13Å; E252-E254 PolarHBondContact O-N 3.44Å; E252-E255 WeakPolarHBondContact O-CB 3.48Å; E252-E255 PolarHBondContact O-N 2.82Å; E252-E255 VanDerWaalsContact O-N 3.16Å; E252-E256 WeakPolarHBondContact O-CG 3.45Å; E252-E256 PolarHBondContact O-N 3.42Å
253E94.5Very high91.3Very high112 Ų112110 Ų11052%0.52352%0.521SS..Hα-helixtrans-62-41176-72178.5-178.900112.1Q249 E255 E256 A257Q249-E253 WeakPolarHBondContact O-CG 3.11Å; Q249-E253 PolarHBondContact O-N 2.97Å; E253-E255 VanDerWaalsContact C-N 3.33Å; E253-E255 PolarHBondContact O-N 3.34Å; E253-E256 PolarHBondContact O-N 2.83Å; E253-A257 WeakPolarHBondContact O-CB 3.37Å; E253-A257 PolarHBondContact O-N 3.03Å
254E93.8Very high90.6Very high107 Ų107108.3 Ų108.350%0.552%0.515SS..Hα-helixtrans-64.1-37.3174.1-81.4-171.2-163.500112.4M250 E252 K258M250-E254 WeakPolarHBondContact O-CB 3.25Å; M250-E254 WeakPolarHBondContact O-CG 3.47Å; M250-E254 PolarHBondContact O-N 3.29Å; E252-E254 PolarHBondContact O-N 3.44Å; E254-K258 WeakPolarHBondContact O-CB 3.47Å; E254-K258 WeakPolarHBondContact O-CD 3.4Å; E254-K258 WeakPolarHBondContact O-CG 3.5Å; E254-K258 PolarHBondContact O-N 3.38Å; E254-K258 IonicContact OE2-NZ 3.38Å; E254-K258 PolarHBondContact OE2-NZ 3.36Å
255E91.8Very high89.8Confident107 Ų107108.5 Ų108.550%0.552%0.518SS..Hα-helixtrans-66.1-43.4174.2-79.8-159.1-175.800111.8A251 E252 E253 K258 R259A251-E255 WeakPolarHBondContact O-CG 3.4Å; A251-E255 PolarHBondContact O-N 2.83Å; E252-E255 WeakPolarHBondContact O-CB 3.48Å; E252-E255 PolarHBondContact O-N 2.82Å; E252-E255 VanDerWaalsContact O-N 3.16Å; E253-E255 VanDerWaalsContact C-N 3.33Å; E253-E255 PolarHBondContact O-N 3.34Å; E255-K258 PolarHBondContact O-N 2.76Å; E255-R259 VanDerWaalsContact O-CG 3.26Å; E255-R259 WeakPolarHBondContact O-CG 3.22Å; E255-R259 PolarHBondContact O-N 2.94Å; E255-R259 IonicContact OE2-CZ 3.95Å; E255-R259 IonicContact OE2-NH2 2.97Å; E255-R259 PolarHBondContact OE2-NH2 3.23Å
256E91.9Very high89Confident121 Ų121107.8 Ų107.857%0.56552%0.521SS*.Hα-helixtrans-62.9-46.3175.6-71.9-175.6168.600111.4E252 E253 K258 R259 E260E252-E256 WeakPolarHBondContact O-CG 3.45Å; E252-E256 PolarHBondContact O-N 3.42Å; E253-E256 PolarHBondContact O-N 2.83Å; E256-K258 VanDerWaalsContact C-N 3.32Å; E256-K258 PolarHBondContact O-N 3.09Å; E256-R259 WeakPolarHBondContact O-CA 3.33Å; E256-R259 WeakPolarHBondContact O-CB 3.33Å; E256-R259 PolarHBondContact O-N 3.27Å; E256-E260 PolarHBondContact O-N 3.48Å
257A91.7Very high88Confident55 Ų55103.7 Ų103.746%0.45551%0.512SS..Hα-helixtrans-61.1-39.2175.600000112.3E253 R259 E260 H261E253-A257 WeakPolarHBondContact O-CB 3.37Å; E253-A257 PolarHBondContact O-N 3.03Å; A257-R259 VanDerWaalsContact C-N 3.32Å; A257-R259 PolarHBondContact O-N 2.9Å; A257-E260 PolarHBondContact O-N 3.26Å; A257-H261 VanDerWaalsContact O-CB 3.23Å; A257-H261 WeakPolarHBondContact O-CB 3.47Å; A257-H261 PolarHBondContact O-N 2.89Å
258K89.9Confident86.9Confident121 Ų12199.4 Ų99.453%0.52650%0.502SS..Hα-helixtrans-64.7-35.6173.4-76.4165.6-171.5153.20111.7E254 E255 E256 K262E254-K258 WeakPolarHBondContact O-CB 3.47Å; E254-K258 WeakPolarHBondContact O-CD 3.4Å; E254-K258 WeakPolarHBondContact O-CG 3.5Å; E254-K258 PolarHBondContact O-N 3.38Å; E254-K258 IonicContact OE2-NZ 3.38Å; E254-K258 PolarHBondContact OE2-NZ 3.36Å; E255-K258 PolarHBondContact O-N 2.76Å; E256-K258 VanDerWaalsContact C-N 3.32Å; E256-K258 PolarHBondContact O-N 3.09Å; K258-K262 WeakPolarHBondContact O-CB 3.46Å; K258-K262 VanDerWaalsContact O-CG 3.25Å; K258-K262 WeakPolarHBondContact O-CG 3.3Å; K258-K262 PolarHBondContact O-N 3.32Å; K258-K262 VanDerWaalsContact O-N 3.14Å
259R86.4Confident85.9Confident161 Ų16194.8 Ų94.861%0.60850%0.497SS*.Hα-helixtrans-69.2-45.3175.6-70.2169.7-166.6-1798.6111.2E255 E256 A257 K262 G263E255-R259 VanDerWaalsContact O-CG 3.26Å; E255-R259 WeakPolarHBondContact O-CG 3.22Å; E255-R259 PolarHBondContact O-N 2.94Å; E255-R259 IonicContact OE2-CZ 3.95Å; E255-R259 IonicContact OE2-NH2 2.97Å; E255-R259 PolarHBondContact OE2-NH2 3.23Å; E256-R259 WeakPolarHBondContact O-CA 3.33Å; E256-R259 WeakPolarHBondContact O-CB 3.33Å; E256-R259 PolarHBondContact O-N 3.27Å; A257-R259 VanDerWaalsContact C-N 3.32Å; A257-R259 PolarHBondContact O-N 2.9Å; R259-K262 PolarHBondContact O-N 2.91Å; R259-G263 PolarHBondContact O-N 2.84Å
260E86.6Confident84.8Confident145 Ų14598 Ų9868%0.67851%0.505SS*.Hα-helixtrans-63.4-46.1176.1-70.3-170.9162.400112.1E256 A257 K262 G263 V264E256-E260 PolarHBondContact O-N 3.48Å; A257-E260 PolarHBondContact O-N 3.26Å; E260-K262 VanDerWaalsContact C-N 3.33Å; E260-K262 PolarHBondContact O-N 3.45Å; E260-G263 CarbonylContact O-C 3.52Å; E260-G263 VanDerWaalsContact O-CA 3.3Å; E260-G263 WeakPolarHBondContact O-CA 3.48Å; E260-G263 PolarHBondContact O-N 3.07Å; E260-V264 WeakPolarHBondContact O-CG2 3.12Å; E260-V264 PolarHBondContact O-N 2.84Å
261H86.2Confident83.4Confident119 Ų11999.1 Ų99.155%0.55151%0.513SS*.Hα-helixtrans-61.6-41178.8-173.966.4000112A257 G263 V264 I265A257-H261 VanDerWaalsContact O-CB 3.23Å; A257-H261 WeakPolarHBondContact O-CB 3.47Å; A257-H261 PolarHBondContact O-N 2.89Å; H261-G263 VanDerWaalsContact C-N 3.29Å; H261-G263 PolarHBondContact O-N 3.23Å; H261-V264 PolarHBondContact O-N 3.36Å; H261-I265 VanDerWaalsContact NE2-CD1 3.27Å; H261-I265 WeakPolarHBondContact NE2-CD1 3.19Å; H261-I265 WeakPolarHBondContact O-CG1 3.34Å; H261-I265 PolarHBondContact O-N 2.53Å
262K81.5Confident82.2Confident157 Ų157103.7 Ų103.768%0.68353%0.528SS*.Hα-helixtrans-61.1-38.4170.6-76.8176-179.6-1800111.8K258 R259 E260 G266K258-K262 WeakPolarHBondContact O-CB 3.46Å; K258-K262 VanDerWaalsContact O-CG 3.25Å; K258-K262 WeakPolarHBondContact O-CG 3.3Å; K258-K262 PolarHBondContact O-N 3.32Å; K258-K262 VanDerWaalsContact O-N 3.14Å; R259-K262 PolarHBondContact O-N 2.91Å; E260-K262 VanDerWaalsContact C-N 3.33Å; E260-K262 PolarHBondContact O-N 3.45Å; K262-G266 PolarHBondContact O-N 2.92Å
263G80.7Confident81.1Confident43 Ų43101.5 Ų101.544%0.44353%0.526SS..Hα-helixtrans-61.3-43.7172.700000113.3R259 E260 H261 G266 S267R259-G263 PolarHBondContact O-N 2.84Å; E260-G263 CarbonylContact O-C 3.52Å; E260-G263 VanDerWaalsContact O-CA 3.3Å; E260-G263 WeakPolarHBondContact O-CA 3.48Å; E260-G263 PolarHBondContact O-N 3.07Å; H261-G263 VanDerWaalsContact C-N 3.29Å; H261-G263 PolarHBondContact O-N 3.23Å; G263-G266 CarbonylContact O-C 3.57Å; G263-G266 WeakPolarHBondContact O-CA 3.38Å; G263-G266 PolarHBondContact O-N 2.66Å; G263-S267 PolarHBondContact O-N 3.46Å
264V78.2Confident79.3Confident72 Ų7298.9 Ų98.944%0.43653%0.529SS..Hα-helixtrans-69.9-43.6178.1174.70000112.1E260 H261 G266 S267 L268E260-V264 WeakPolarHBondContact O-CG2 3.12Å; E260-V264 PolarHBondContact O-N 2.84Å; H261-V264 PolarHBondContact O-N 3.36Å; V264-G266 PolarHBondContact O-N 3.49Å; V264-S267 WeakPolarHBondContact CA-OG 3.42Å; V264-S267 PolarHBondContact O-N 2.84Å; V264-S267 VanDerWaalsContact O-N 3.08Å; V264-S267 PolarHBondContact O-OG 2.83Å; V264-L268 HydrophobicContact CG1-CD1 3.91Å; V264-L268 WeakPolarHBondContact O-CB 3.08Å; V264-L268 PolarHBondContact O-N 3.05Å
265I76.8Confident77.6Confident94 Ų94103.5 Ų103.548%0.48254%0.542SS..Hα-helixtrans-58.2-40.9170.5-70.5169.9000109.7H261 S267 G269H261-I265 VanDerWaalsContact NE2-CD1 3.27Å; H261-I265 WeakPolarHBondContact NE2-CD1 3.19Å; H261-I265 WeakPolarHBondContact O-CG1 3.34Å; H261-I265 PolarHBondContact O-N 2.53Å; I265-S267 VanDerWaalsContact C-N 3.32Å; I265-S267 PolarHBondContact O-N 2.9Å; I265-G269 PolarHBondContact O-N 3.34Å
266G74.8Confident75.2Confident33 Ų33103.5 Ų103.534%0.3455%0.554SS.*Hα-helixtrans-63.7-29.6174.900000114.5K262 G263 V264 R270K262-G266 PolarHBondContact O-N 2.92Å; G263-G266 CarbonylContact O-C 3.57Å; G263-G266 WeakPolarHBondContact O-CA 3.38Å; G263-G266 PolarHBondContact O-N 2.66Å; V264-G266 PolarHBondContact O-N 3.49Å; G266-R270 WeakPolarHBondContact O-CG 3.29Å; G266-R270 PolarHBondContact O-NE 2.91Å
267S74.5Confident73.5Confident49 Ų49103.6 Ų103.634%0.34357%0.568SS.*Hα-helixtrans-84.9-40.9175.265.10000112.8G263 V264 I265 G269 R270 L271G263-S267 PolarHBondContact O-N 3.46Å; V264-S267 WeakPolarHBondContact CA-OG 3.42Å; V264-S267 PolarHBondContact O-N 2.84Å; V264-S267 VanDerWaalsContact O-N 3.08Å; V264-S267 PolarHBondContact O-OG 2.83Å; I265-S267 VanDerWaalsContact C-N 3.32Å; I265-S267 PolarHBondContact O-N 2.9Å; S267-G269 PolarHBondContact O-N 3.36Å; S267-R270 WeakPolarHBondContact O-CA 3.38Å; S267-R270 WeakPolarHBondContact O-CB 3.36Å; S267-R270 PolarHBondContact O-N 2.91Å; S267-R270 VanDerWaalsContact O-N 3.08Å; S267-L271 PolarHBondContact O-N 2.85Å
268L73.2Confident71.4Confident89 Ų89108 Ų10847%0.46662%0.618SS.*Hα-helixtrans-60.9-42.2171.9-86.4161.2000111.8V264 R270 L271 I272V264-L268 HydrophobicContact CG1-CD1 3.91Å; V264-L268 WeakPolarHBondContact O-CB 3.08Å; V264-L268 PolarHBondContact O-N 3.05Å; L268-R270 PolarHBondContact O-N 3.2Å; L268-L271 PolarHBondContact O-N 3.06Å; L268-L271 VanDerWaalsContact O-N 3.14Å; L268-I272 WeakPolarHBondContact O-CG1 3.37Å; L268-I272 PolarHBondContact O-N 3.34Å
269G72.8Confident70.4Confident39 Ų39107.3 Ų107.340%0.40262%0.623SS.*Hα-helixtrans-59-33.9172.900000112.6I265 S267 S273I265-G269 PolarHBondContact O-N 3.34Å; S267-G269 PolarHBondContact O-N 3.36Å; G269-S273 WeakPolarHBondContact O-CB 3.28Å; G269-S273 PolarHBondContact O-N 3.24Å; G269-S273 VanDerWaalsContact O-N 3.16Å; G269-S273 PolarHBondContact O-OG 3.09Å
270R70.5Confident69.6Low153 Ų153104.5 Ų104.558%0.57762%0.624SS**Hα-helixtrans-72.5-37.2173.4-78.8180-82.8-166.71.2113.1G266 S267 L268 S273 G274 R275G266-R270 WeakPolarHBondContact O-CG 3.29Å; G266-R270 PolarHBondContact O-NE 2.91Å; S267-R270 WeakPolarHBondContact O-CA 3.38Å; S267-R270 WeakPolarHBondContact O-CB 3.36Å; S267-R270 PolarHBondContact O-N 2.91Å; S267-R270 VanDerWaalsContact O-N 3.08Å; L268-R270 PolarHBondContact O-N 3.2Å; R270-S273 WeakPolarHBondContact CA-OG 3.32Å; R270-S273 PolarHBondContact O-OG 2.77Å; R270-G274 PolarHBondContact O-N 2.82Å; R270-R275 PolarHBondContact O-N 2.91Å; R270-R275 VanDerWaalsContact O-N 3.08Å
271L67.2Low68.7Low129 Ų129102.2 Ų102.268%0.67562%0.621SS**Hα-helixtrans-67.6-47175-85.1156.4000112.6S267 L268 S273 G274S267-L271 PolarHBondContact O-N 2.85Å; L268-L271 PolarHBondContact O-N 3.06Å; L268-L271 VanDerWaalsContact O-N 3.14Å; L271-S273 VanDerWaalsContact C-N 3.34Å; L271-S273 PolarHBondContact O-N 2.82Å; L271-G274 WeakPolarHBondContact O-CA 3.24Å; L271-G274 PolarHBondContact O-N 3.49Å
272I68.7Low67.6Low148 Ų148101.2 Ų101.276%0.75963%0.625SS**Hα-helixtrans-66.8-36.6179.2-65.6168.4000111.2L268 G274L268-I272 WeakPolarHBondContact O-CG1 3.37Å; L268-I272 PolarHBondContact O-N 3.34Å; I272-G274 PolarHBondContact O-N 3Å
273S70.7Confident66.8Low77 Ų7797.8 Ų97.854%0.53862%0.621SS.*THydrogen-bonded Turntrans-73.74.6172.257.80000113.6G269 R270 L271 R275G269-S273 WeakPolarHBondContact O-CB 3.28Å; G269-S273 PolarHBondContact O-N 3.24Å; G269-S273 VanDerWaalsContact O-N 3.16Å; G269-S273 PolarHBondContact O-OG 3.09Å; R270-S273 WeakPolarHBondContact CA-OG 3.32Å; R270-S273 PolarHBondContact O-OG 2.77Å; L271-S273 VanDerWaalsContact C-N 3.34Å; L271-S273 PolarHBondContact O-N 2.82Å; S273-R275 PolarHBondContact O-N 2.93Å
274G58.5Low65.8Low57 Ų57101.4 Ų101.459%0.58863%0.633SS**THydrogen-bonded Turntrans67.217.5173.100000114.5R270 L271 I272 S276R270-G274 PolarHBondContact O-N 2.82Å; L271-G274 WeakPolarHBondContact O-CA 3.24Å; L271-G274 PolarHBondContact O-N 3.49Å; I272-G274 PolarHBondContact O-N 3Å; G274-S276 VanDerWaalsContact C-N 3.27Å; G274-S276 PolarHBondContact O-N 2.97Å
275R56.2Low64.9Low204 Ų204103.5 Ų103.577%0.7765%0.647SS**  trans-83.575.3172.8-72.9-172.1179-163.10.7109.2R270 S273 S277R270-R275 PolarHBondContact O-N 2.91Å; R270-R275 VanDerWaalsContact O-N 3.08Å; S273-R275 PolarHBondContact O-N 2.93Å; R275-S277 PolarHBondContact O-N 2.9Å
276S43.2Very low64Low107 Ų107104.2 Ų104.275%0.74866%0.66SS**  trans-62.3126.7161.157.40000108.3G274 G278G274-S276 VanDerWaalsContact C-N 3.27Å; G274-S276 PolarHBondContact O-N 2.97Å; S276-G278 PolarHBondContact O-N 2.83Å
277S56.2Low63.1Low124 Ų124110.2 Ų110.287%0.86769%0.687SS**  trans-60.1101.9167.649.70000108.9R275R275-S277 PolarHBondContact O-N 2.9Å
278G46Very low62.1Low146 Ų146115.7 Ų115.7100%1.50572%0.718SS**  trans-80.30153.300000109.8S276S276-G278 PolarHBondContact O-N 2.83Å

Retrieved 278 of 278 residues in 775.5 ms (Link to these results)

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