A0A3Q0KJF4_SCHMA Loading...

ADP-ribosylation factor-like 13, arl13

AlphaFold DB , UniProt , Accession A0A3Q0KJF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 560 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
1M53.5Low55.2Low245 Ų245167.5 Ų167.5100%1.20784%0.839SS**  0109.70-72.4-174.7162.200107.3
2S55Low54.9Low118 Ų118169.3 Ų169.383%0.82584%0.843SS**PPolyproline II helixtrans-71139.4-169.6-46.70000111.8
3P58.9Low54.9Low113 Ų113167 Ų16773%0.73484%0.835SS**PPolyproline II helixtrans-79.4126.8175.56.610.1000110.2F5P3-F5 PolarHBondContact O-N 2.94Å
4C52.2Low56Low129 Ų129162.8 Ų162.887%0.87283%0.829SS**PPolyproline II helixtrans-60.1123168-86.10000110.5
5F61.5Low57.8Low194 Ų194156.1 Ų156.185%0.85180%0.797SS**PPolyproline II helixtrans-78126.3162.2-78.6-86.8000109.3P3 F7P3-F5 PolarHBondContact O-N 2.94Å; F5-F7 PolarHBondContact O-N 3.13Å
6P58.4Low59.9Low114 Ų114153.9 Ų153.974%0.7478%0.779SS**PPolyproline II helixtrans-65.7124168.1-11.425.6000108.8V8P6-V8 PolarHBondContact O-N 3.32Å
7F57.3Low62Low175 Ų175150.2 Ų150.277%0.76876%0.759SS**  trans-61.295.8171.6-179.6-106.5000109.6F5 R9F5-F7 PolarHBondContact O-N 3.13Å; F7-R9 HydrophobicContact CD1-CG 3.7Å; F7-R9 HydrophobicContact CE1-CB 4.48Å; F7-R9 HydrophobicContact CE1-CG 3.34Å; F7-R9 HydrophobicContact CZ-CG 4.37Å; F7-R9 PolarHBondContact O-N 3.02Å
8V60.5Low63.9Low121 Ų121141.9 Ų141.973%0.73372%0.717SS**  trans-69.1101.2166.8178.40000106.9P6 R10P6-V8 PolarHBondContact O-N 3.32Å; V8-R10 PolarHBondContact O-N 3.31Å
9R51.4Low65.7Low214 Ų214136.6 Ų136.681%0.80869%0.689SS**  trans-59.4100.8162.5-79.1-175.4179.1171.30.1107.2F7 K11F7-R9 HydrophobicContact CD1-CG 3.7Å; F7-R9 HydrophobicContact CE1-CB 4.48Å; F7-R9 HydrophobicContact CE1-CG 3.34Å; F7-R9 HydrophobicContact CZ-CG 4.37Å; F7-R9 PolarHBondContact O-N 3.02Å; R9-K11 PolarHBondContact O-N 3.06Å
10R48.3Very low67.3Low233 Ų233129.8 Ų129.888%0.87965%0.654SS**  trans-57.8113.5164.3-74.4-175.4-154.4159.97.4106.3V8 Q12V8-R10 PolarHBondContact O-N 3.31Å; R10-Q12 PolarHBondContact O-N 3.31Å
11K49.9Very low68.8Low187 Ų187123.6 Ų123.681%0.81362%0.623SS**  trans-53.9111.6165.2-158.7174.6-175.2-179.10105.3R9 N13R9-K11 PolarHBondContact O-N 3.06Å; K11-N13 PolarHBondContact O-N 2.77Å
12Q51.5Low71Confident189 Ų189112 Ų11288%0.88357%0.566SS**  trans-56.2108169.2-107.4172.5-7.300105.1R10 S14R10-Q12 PolarHBondContact O-N 3.31Å; Q12-S14 VanDerWaalsContact C-N 3.34Å; Q12-S14 PolarHBondContact O-N 3.5Å
13N55Low73Confident139 Ų139106.3 Ų106.374%0.74353%0.526SS*.  trans-63.2108.3164.3-81.8-13.1000104.5K11 N15K11-N13 PolarHBondContact O-N 2.77Å; N13-N15 PolarHBondContact O-N 3.19Å
14S71Confident74.9Confident108 Ų108101 Ų10176%0.75549%0.491SS*.  trans-56113.4166.852.40000106.5Q12 K16Q12-S14 VanDerWaalsContact C-N 3.34Å; Q12-S14 PolarHBondContact O-N 3.5Å; S14-K16 PolarHBondContact O-N 2.89Å
15N82.8Confident77.1Confident63 Ų6395.3 Ų95.334%0.33745%0.452SS..PPolyproline II helixtrans-52.9139.9172.1-75.1-5.1000108.2N13 S60 N62N13-N15 PolarHBondContact O-N 3.19Å; N15-S60 WeakPolarHBondContact CA-O 3.26Å; N15-N62 HydrophobicContact CB-CB 4.39Å; N15-N62 VanDerWaalsContact CB-CG 3.47Å; N15-N62 VanDerWaalsContact CB-OD1 3.25Å; N15-N62 WeakPolarHBondContact CB-OD1 3.37Å; N15-N62 PolarHBondContact ND2-OD1 3.48Å
16K91.5Very high78.8Confident120 Ų12088.6 Ų88.652%0.52243%0.426SS..EExtended strand (participates in β ladder)trans-80129178.6-66.1-172.6-179.5-176.30108.7S14 S60 F61 N62 L190S14-K16 PolarHBondContact O-N 2.89Å; K16-S60 PolarHBondContact N-O 3.12Å; K16-F61 HydrophobicContact CB-CD1 3.94Å; K16-F61 HydrophobicContact CB-CE1 4.16Å; K16-F61 VanDerWaalsContact O-CA 3.32Å; K16-F61 WeakPolarHBondContact O-CA 3.4Å; K16-N62 PolarHBondContact O-N 3.23Å; K16-L190 HydrophobicContact CD-CD2 3.52Å
17E95Very high80.6Confident92 Ų9288.7 Ų88.743%0.4342%0.42SS..EExtended strand (participates in β ladder)trans-70.6129.6170.1-63.8-62.4142.100109N62 N64E17-N62 CarbonylContact C-O 3.54Å; E17-N62 WeakPolarHBondContact CA-O 3.4Å; E17-N62 VanDerWaalsContact CD-CB 3.43Å; E17-N62 WeakPolarHBondContact OE1-CB 3.39Å; E17-N62 PolarHBondContact OE1-ND2 3.46Å; E17-N62 WeakPolarHBondContact OE2-CB 3.44Å; E17-N64 PolarHBondContact OE2-ND2 2.85Å
18I96.6Very high82.5Confident1 Ų180.4 Ų80.41%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-133.5148.4170.863.3172.3000109.8F61 N62 I63 N64 Y86 L183I18-F61 HydrophobicContact CD1-CB 3.94Å; I18-F61 HydrophobicContact CD1-CD1 3.94Å; I18-F61 HydrophobicContact CD1-CD2 4.2Å; I18-F61 HydrophobicContact CD1-CE1 4.49Å; I18-F61 HydrophobicContact CD1-CG 3.77Å; I18-F61 HydrophobicContact CG1-CB 4.12Å; I18-F61 HydrophobicContact CG1-CD1 4.22Å; I18-F61 HydrophobicContact CG1-CG 4.28Å; I18-F61 HydrophobicContact CG2-CD1 3.64Å; I18-F61 HydrophobicContact CG2-CE1 3.88Å; I18-N62 PolarHBondContact N-O 3.3Å; I18-I63 HydrophobicContact CD1-CG1 4.03Å; I18-I63 HydrophobicContact CG1-CG1 3.92Å; I18-N64 PolarHBondContact O-N 3.09Å; I18-Y86 HydrophobicContact CB-CD1 4.42Å; I18-Y86 HydrophobicContact CB-CD2 4.09Å; I18-Y86 HydrophobicContact CB-CE2 4.31Å; I18-Y86 HydrophobicContact CB-CG 4.15Å; I18-Y86 HydrophobicContact CG2-CD1 4.06Å; I18-Y86 HydrophobicContact CG2-CD2 4.5Å; I18-Y86 HydrophobicContact CG2-CE1 4.02Å; I18-Y86 HydrophobicContact CG2-CE2 4.48Å; I18-Y86 HydrophobicContact CG2-CG 4.3Å; I18-L183 HydrophobicContact CD1-CD2 3.49Å; I18-L183 VanDerWaalsContact CD1-CD2 3.49Å
19F98.2Very high84.2Confident41 Ų4175.3 Ų75.318%0.1836%0.355CS..EExtended strand (participates in β ladder)trans-107.6131.9178.1-62.8-92.4000109.9N64 Y66 E84 V85 Y86F19-N64 CarbonylContact C-O 3.5Å; F19-N64 WeakPolarHBondContact CA-O 3.41Å; F19-N64 HydrophobicContact CD1-CB 3.46Å; F19-N64 VanDerWaalsContact CD1-CB 3.46Å; F19-N64 HydrophobicContact CE1-CB 3.66Å; F19-N64 HydrophobicContact CG-CB 4.25Å; F19-Y66 HydrophobicContact CB-CE2 4.22Å; F19-Y66 AromaticContact CD1-CE2 3.69Å; F19-Y66 HydrophobicContact CD1-CE2 3.69Å; F19-Y66 AromaticContact CD1-CZ 3.59Å; F19-Y66 VanDerWaalsContact CD1-OH 3.24Å; F19-Y66 WeakPolarHBondContact CD1-OH 3.42Å; F19-Y66 VanDerWaalsContact CE1-OH 3.3Å; F19-Y66 WeakPolarHBondContact CE1-OH 3.48Å; F19-Y66 HydrophobicContact CG-CE2 4.35Å; F19-E84 HydrophobicContact CB-CG 4.42Å; F19-E84 HydrophobicContact CG-CG 4.43Å; F19-V85 CarbonylContact O-C 3.52Å; F19-V85 WeakPolarHBondContact O-CA 3.43Å; F19-Y86 HydrophobicContact CB-CD2 4.45Å; F19-Y86 HydrophobicContact CD2-CE2 4.27Å; F19-Y86 PolarHBondContact O-N 3.03Å
20L98.4Very high86.5Confident0 Ų065.6 Ų65.60%032%0.319CS..EExtended strand (participates in β ladder)trans-123.7156.6172.8-61.5-179000108.3I63 N64 L65 Y66 L179 L182 L183 I186L20-I63 HydrophobicContact CD1-CG2 3.73Å; L20-I63 HydrophobicContact CG-CG2 4.06Å; L20-N64 PolarHBondContact N-O 3.35Å; L20-L65 HydrophobicContact CB-CD1 3.78Å; L20-L65 WeakPolarHBondContact O-CA 3.35Å; L20-Y66 PolarHBondContact O-N 3.45Å; L20-L179 HydrophobicContact CD1-CD1 4.34Å; L20-L182 HydrophobicContact CD1-CD2 4.14Å; L20-L182 HydrophobicContact CD2-CD2 4.26Å; L20-L183 HydrophobicContact CD1-CD2 4.4Å; L20-I186 HydrophobicContact CD2-CD1 3.71Å
21V98.5Very high88.8Confident0 Ų055.7 Ų55.70%028%0.284CS..EExtended strand (participates in β ladder)trans-125.4138.9172.263.40000109.7L23 L68 V85 V88 I89V21-L23 HydrophobicContact CG1-CD1 4.08Å; V21-L23 HydrophobicContact CG1-CG 4.14Å; V21-L23 HydrophobicContact CG2-CD1 4.4Å; V21-L23 HydrophobicContact CG2-CD2 3.52Å; V21-L23 HydrophobicContact CG2-CG 3.8Å; V21-L68 HydrophobicContact CG2-CD1 3.82Å; V21-L68 HydrophobicContact CG2-CG 3.95Å; V21-V85 HydrophobicContact CB-CG1 3.87Å; V21-V85 HydrophobicContact CG1-CB 4.35Å; V21-V85 HydrophobicContact CG1-CG1 3.92Å; V21-V85 HydrophobicContact CG1-CG2 4.26Å; V21-V88 HydrophobicContact CG1-CB 4.43Å; V21-V88 HydrophobicContact CG1-CG1 4.3Å; V21-V88 HydrophobicContact CG1-CG2 3.95Å; V21-I89 PolarHBondContact O-N 3.34Å
22I98.6Very high91Very high0 Ų047.9 Ų47.90%025%0.252CS..EExtended strand (participates in β ladder)trans-105121.6169.9-170.6167.6000110.1K30 I33 L65 Y66 D67 I89 V91I22-K30 HydrophobicContact CD1-CB 4.18Å; I22-K30 HydrophobicContact CG1-CB 4.1Å; I22-K30 HydrophobicContact CG1-CG 4.14Å; I22-I33 HydrophobicContact CD1-CB 4.09Å; I22-I33 HydrophobicContact CD1-CG2 3.96Å; I22-L65 HydrophobicContact CB-CD1 4.12Å; I22-L65 HydrophobicContact CG2-CD1 4.28Å; I22-L65 HydrophobicContact CG2-CD2 4.42Å; I22-L65 HydrophobicContact CG2-CG 4.28Å; I22-Y66 WeakPolarHBondContact CG2-O 3.43Å; I22-Y66 PolarHBondContact N-O 3.26Å; I22-D67 HydrophobicContact CG2-CB 3.85Å; I22-I89 CarbonylContact C-O 3.53Å; I22-I89 VanDerWaalsContact CA-O 3.23Å; I22-I89 WeakPolarHBondContact CA-O 3.43Å; I22-I89 HydrophobicContact CB-CB 4.27Å; I22-I89 HydrophobicContact CD1-CG2 4.07Å; I22-I89 HydrophobicContact CG1-CB 4.14Å; I22-I89 HydrophobicContact CG1-CG2 4Å; I22-V91 HydrophobicContact CD1-CG2 3.65Å; I22-V91 HydrophobicContact CG1-CG2 3.63Å
23L98.5Very high93.1Very high0 Ų038.9 Ų38.90%021%0.21CC..EExtended strand (participates in β ladder)trans-127.5171.7-173.3-59176.8000110.8V21 K30 L68 W78 F82 V88 I89 F90 V91 V110V21-L23 HydrophobicContact CG1-CD1 4.08Å; V21-L23 HydrophobicContact CG1-CG 4.14Å; V21-L23 HydrophobicContact CG2-CD1 4.4Å; V21-L23 HydrophobicContact CG2-CD2 3.52Å; V21-L23 HydrophobicContact CG2-CG 3.8Å; L23-K30 WeakPolarHBondContact O-CD 3.44Å; L23-L68 HydrophobicContact CD2-CB 4.21Å; L23-L68 HydrophobicContact CD2-CD1 3.76Å; L23-L68 HydrophobicContact CD2-CG 4.18Å; L23-W78 HydrophobicContact CB-CH2 4.35Å; L23-W78 HydrophobicContact CB-CZ3 4.35Å; L23-W78 HydrophobicContact CD1-CE3 4.37Å; L23-W78 HydrophobicContact CD2-CB 4.42Å; L23-W78 HydrophobicContact CD2-CD2 3.72Å; L23-W78 HydrophobicContact CD2-CE3 4.06Å; L23-W78 HydrophobicContact CD2-CG 3.89Å; L23-W78 HydrophobicContact CD2-CZ2 4.36Å; L23-F82 HydrophobicContact CD1-CE1 3.66Å; L23-F82 HydrophobicContact CD1-CZ 4.01Å; L23-V88 HydrophobicContact CD1-CG1 3.97Å; L23-V88 HydrophobicContact CG-CG1 4.39Å; L23-I89 PolarHBondContact N-O 2.85Å; L23-F90 HydrophobicContact CB-CD2 3.92Å; L23-F90 HydrophobicContact CB-CE2 4.43Å; L23-F90 WeakPolarHBondContact O-CA 3.48Å; L23-V91 PolarHBondContact O-N 2.75Å; L23-V110 HydrophobicContact CD1-CG1 3.81Å; L23-V110 HydrophobicContact CD1-CG2 3.98Å
24G98.2Very high95.1Very high0 Ų032.3 Ų32.30%018%0.175CC..  trans132.8166-177.500000112.1K30 G70G24-K30 WeakPolarHBondContact O-CE 3.46Å; G24-K30 PolarHBondContact O-NZ 3.49Å; G24-G70 WeakPolarHBondContact O-CA 3.46Å
25L98.1Very high96.2Very high10 Ų1029 Ų295%0.05215%0.149CC..SBendtrans-56.9157.8-178.2-55.8-173000111.8S28 K30 R99 E102 C103 V106L25-S28 WeakPolarHBondContact O-CB 3.46Å; L25-S28 PolarHBondContact O-N 2.93Å; L25-S28 PolarHBondContact O-OG 3.34Å; L25-K30 PolarHBondContact O-NZ 3.38Å; L25-R99 HydrophobicContact CD1-CB 4.07Å; L25-E102 HydrophobicContact CD1-CB 4.28Å; L25-E102 HydrophobicContact CD1-CG 4.14Å; L25-E102 HydrophobicContact CD2-CG 3.91Å; L25-C103 HydrophobicContact CD1-CB 3.83Å; L25-C103 HydrophobicContact CG-CB 4.27Å; L25-V106 HydrophobicContact CD2-CB 4.11Å; L25-V106 HydrophobicContact CD2-CG1 4.34Å; L25-V106 HydrophobicContact CD2-CG2 3.76Å
26D97.2Very high96.7Very high54 Ų5426.2 Ų26.229%0.28913%0.134SC..THydrogen-bonded Turntrans-53.1150.816654.6-77.2000110.9S28 G70 R75 R99D26-S28 PolarHBondContact O-N 2.87Å; D26-G70 PolarHBondContact N-O 3.25Å; D26-R75 IonicContact OD1-NH2 2.96Å; D26-R75 PolarHBondContact OD1-NH2 2.76Å; D26-R99 PolarHBondContact O-NH1 2.92Å; D26-R99 IonicContact OD1-CZ 3.7Å; D26-R99 IonicContact OD1-NH1 3.14Å; D26-R99 IonicContact OD1-NH2 3.81Å; D26-R99 PolarHBondContact OD1-NH2 3Å; D26-R99 IonicContact OD2-CZ 3.01Å; D26-R99 IonicContact OD2-NH1 3.23Å; D26-R99 PolarHBondContact OD2-NH1 3.34Å; D26-R99 IonicContact OD2-NH2 3.61Å; D26-R99 PolarHBondContact OD2-NH2 3.42Å
27N96.6Very high96.9Very high116 Ų11621.7 Ų21.762%0.6212%0.115SC*.THydrogen-bonded Turntrans62.5-1.8-177-161.231.3000116.7G29 K127N27-G29 PolarHBondContact O-N 3.11Å; N27-G29 VanDerWaalsContact O-N 3.15Å; N27-K127 WeakPolarHBondContact O-CE 3.38Å; N27-K127 PolarHBondContact O-NZ 3.4Å
28S97.4Very high96.6Very high1 Ų122.3 Ų22.31%0.00712%0.117CC..SBendtrans-63.4-17.9174.957.10000114.5L25 D26 V91 N126L25-S28 WeakPolarHBondContact O-CB 3.46Å; L25-S28 PolarHBondContact O-N 2.93Å; L25-S28 PolarHBondContact O-OG 3.34Å; D26-S28 PolarHBondContact O-N 2.87Å; S28-V91 VanDerWaalsContact O-CG1 3.28Å; S28-V91 WeakPolarHBondContact O-CG1 3.5Å; S28-N126 PolarHBondContact O-ND2 2.87Å
29G96.6Very high96.3Very high13 Ų1324.9 Ų24.913%0.13414%0.143CC..  trans99.219.217700000115.4N27 T31 T32 I33N27-G29 PolarHBondContact O-N 3.11Å; N27-G29 VanDerWaalsContact O-N 3.15Å; G29-T31 PolarHBondContact O-N 3.34Å; G29-T32 WeakPolarHBondContact O-CB 3.34Å; G29-T32 PolarHBondContact O-N 3.24Å; G29-I33 WeakPolarHBondContact O-CG1 3.45Å; G29-I33 PolarHBondContact O-N 2.98Å
30K97.9Very high95.8Very high11 Ų1126.3 Ų26.35%0.04816%0.155CC..Hα-helixtrans-47.4-60.3177-61.3-177.3-62-66.90113.2I22 L23 G24 L25 T32 I33 S34 L68 V91I22-K30 HydrophobicContact CD1-CB 4.18Å; I22-K30 HydrophobicContact CG1-CB 4.1Å; I22-K30 HydrophobicContact CG1-CG 4.14Å; L23-K30 WeakPolarHBondContact O-CD 3.44Å; G24-K30 WeakPolarHBondContact O-CE 3.46Å; G24-K30 PolarHBondContact O-NZ 3.49Å; L25-K30 PolarHBondContact O-NZ 3.38Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-T32 PolarHBondContact O-N 3.24Å; K30-I33 WeakPolarHBondContact O-CA 3.46Å; K30-I33 WeakPolarHBondContact O-CB 3.3Å; K30-I33 PolarHBondContact O-N 2.87Å; K30-S34 PolarHBondContact O-N 3.28Å; K30-S34 PolarHBondContact O-OG 2.79Å; K30-S34 VanDerWaalsContact O-OG 3.08Å; K30-L68 WeakPolarHBondContact CE-O 3.1Å; K30-V91 HydrophobicContact CG-CB 4.02Å; K30-V91 HydrophobicContact CG-CG2 3.9Å
31T96.6Very high95.2Very high24 Ų2429.3 Ų29.315%0.14718%0.176CC..Hα-helixtrans-62.3-36.8-178.8-53.80000112.6G29 I33 S34 L35 V45 T48 D67G29-T31 PolarHBondContact O-N 3.34Å; T31-I33 PolarHBondContact O-N 3.47Å; T31-S34 PolarHBondContact O-N 3.39Å; T31-L35 HydrophobicContact CG2-CD1 4.18Å; T31-L35 HydrophobicContact CG2-CG 4.45Å; T31-L35 WeakPolarHBondContact O-CB 3.41Å; T31-L35 VanDerWaalsContact O-CG 3.26Å; T31-L35 WeakPolarHBondContact O-CG 3.39Å; T31-L35 PolarHBondContact O-N 2.92Å; T31-V45 HydrophobicContact CG2-CG1 3.52Å; T31-T48 PolarHBondContact OG1-OG1 3.2Å; T31-D67 WeakPolarHBondContact CA-OD2 3.46Å; T31-D67 WeakPolarHBondContact CB-OD2 3.49Å; T31-D67 WeakPolarHBondContact CG2-OD2 3.48Å; T31-D67 PolarHBondContact OG1-OD1 2.9Å; T31-D67 PolarHBondContact OG1-OD2 2.77Å
32T96.2Very high94.2Very high24 Ų2430.5 Ų30.515%0.14718%0.184CC..Hα-helixtrans-60.7-44.4172.2-490000111.5G29 K30 L35 S36 A163 L164G29-T32 WeakPolarHBondContact O-CB 3.34Å; G29-T32 PolarHBondContact O-N 3.24Å; K30-T32 VanDerWaalsContact C-N 3.31Å; K30-T32 PolarHBondContact O-N 3.24Å; T32-L35 PolarHBondContact O-N 2.91Å; T32-S36 VanDerWaalsContact O-CB 3.29Å; T32-S36 WeakPolarHBondContact O-CB 3.46Å; T32-S36 PolarHBondContact O-N 3.46Å; T32-S36 PolarHBondContact O-OG 3.39Å; T32-A163 HydrophobicContact CG2-CB 3.79Å; T32-L164 HydrophobicContact CG2-CD2 4.22Å
33I96.8Very high93.1Very high0 Ų037.6 Ų37.60%022%0.222CC..Hα-helixtrans-62.3-48.5175.2-68.7172.2000110.1I22 G29 K30 T31 L35 S36 I37 V91 L124 N126 A163 I175I22-I33 HydrophobicContact CD1-CB 4.09Å; I22-I33 HydrophobicContact CD1-CG2 3.96Å; G29-I33 WeakPolarHBondContact O-CG1 3.45Å; G29-I33 PolarHBondContact O-N 2.98Å; K30-I33 WeakPolarHBondContact O-CA 3.46Å; K30-I33 WeakPolarHBondContact O-CB 3.3Å; K30-I33 PolarHBondContact O-N 2.87Å; T31-I33 PolarHBondContact O-N 3.47Å; I33-L35 VanDerWaalsContact C-N 3.33Å; I33-L35 PolarHBondContact O-N 2.97Å; I33-S36 WeakPolarHBondContact CA-OG 3.26Å; I33-S36 PolarHBondContact O-N 3.4Å; I33-S36 VanDerWaalsContact O-N 3.13Å; I33-S36 PolarHBondContact O-OG 2.93Å; I33-I37 HydrophobicContact CG2-CD1 3.79Å; I33-I37 HydrophobicContact CG2-CG1 4.37Å; I33-I37 WeakPolarHBondContact O-CG1 3.3Å; I33-I37 PolarHBondContact O-N 3.41Å; I33-V91 HydrophobicContact CD1-CB 4.37Å; I33-V91 HydrophobicContact CD1-CG1 3.58Å; I33-V91 HydrophobicContact CD1-CG2 3.76Å; I33-L124 HydrophobicContact CD1-CB 4.35Å; I33-L124 HydrophobicContact CD1-CD1 3.89Å; I33-L124 HydrophobicContact CG2-CD1 4.01Å; I33-N126 HydrophobicContact CD1-CB 4.44Å; I33-A163 HydrophobicContact CB-CB 4.5Å; I33-A163 HydrophobicContact CD1-CB 4.24Å; I33-A163 HydrophobicContact CG1-CB 3.36Å; I33-I175 HydrophobicContact CG1-CD1 4.34Å; I33-I175 HydrophobicContact CG2-CD1 4.5Å; I33-I175 HydrophobicContact CG2-CG2 4.33Å
34S96.2Very high92.5Very high0 Ų045.7 Ų45.70%026%0.264CS..Hα-helixtrans-57.7-44.1179.7-55.70000112.4K30 T31 I37 K38 I54K30-S34 PolarHBondContact O-N 3.28Å; K30-S34 PolarHBondContact O-OG 2.79Å; K30-S34 VanDerWaalsContact O-OG 3.08Å; T31-S34 PolarHBondContact O-N 3.39Å; S34-I37 PolarHBondContact O-N 2.96Å; S34-K38 PolarHBondContact O-N 3.14Å; S34-I54 VanDerWaalsContact CB-CD1 3.41Å
35L94.4Very high92.1Very high40 Ų4048.2 Ų48.221%0.20928%0.28CS..Hα-helixtrans-66.5-42.1174.8-68.1174.7000111.9T31 T32 I33 I37 K38 G39 V40 V45T31-L35 HydrophobicContact CG2-CD1 4.18Å; T31-L35 HydrophobicContact CG2-CG 4.45Å; T31-L35 WeakPolarHBondContact O-CB 3.41Å; T31-L35 VanDerWaalsContact O-CG 3.26Å; T31-L35 WeakPolarHBondContact O-CG 3.39Å; T31-L35 PolarHBondContact O-N 2.92Å; T32-L35 PolarHBondContact O-N 2.91Å; I33-L35 VanDerWaalsContact C-N 3.33Å; I33-L35 PolarHBondContact O-N 2.97Å; L35-I37 VanDerWaalsContact C-N 3.28Å; L35-I37 PolarHBondContact O-N 2.61Å; L35-K38 CarbonylContact O-C 3.59Å; L35-K38 WeakPolarHBondContact O-CA 3.46Å; L35-K38 WeakPolarHBondContact O-CB 3.28Å; L35-K38 PolarHBondContact O-N 3.41Å; L35-K38 VanDerWaalsContact O-N 3.07Å; L35-G39 PolarHBondContact O-N 3.44Å; L35-V40 CarbonylContact C-O 3.56Å; L35-V40 HydrophobicContact CB-CB 4.36Å; L35-V40 HydrophobicContact CD2-CB 4.49Å; L35-V40 PolarHBondContact O-N 2.67Å; L35-V45 HydrophobicContact CD1-CG2 4.23Å
36S94.2Very high91.8Very high3 Ų351.5 Ų51.52%0.02131%0.308CS..Hα-helixtrans-61.5-35.8177.677.90000112.3T32 I33 K38 G39 A163 L171T32-S36 VanDerWaalsContact O-CB 3.29Å; T32-S36 WeakPolarHBondContact O-CB 3.46Å; T32-S36 PolarHBondContact O-N 3.46Å; T32-S36 PolarHBondContact O-OG 3.39Å; I33-S36 WeakPolarHBondContact CA-OG 3.26Å; I33-S36 PolarHBondContact O-N 3.4Å; I33-S36 VanDerWaalsContact O-N 3.13Å; I33-S36 PolarHBondContact O-OG 2.93Å; S36-K38 VanDerWaalsContact C-N 3.33Å; S36-G39 WeakPolarHBondContact O-CA 3.45Å; S36-G39 PolarHBondContact O-N 3.2Å; S36-A163 WeakPolarHBondContact CB-O 3.48Å; S36-L171 VanDerWaalsContact OG-CD1 3.23Å; S36-L171 WeakPolarHBondContact OG-CD1 3.32Å
37I93.9Very high91.6Very high26 Ų2654.6 Ų54.613%0.13333%0.331CS..Hα-helixtrans-65.3-37.6175.5-70.1166.7000110.7I33 S34 L35 G39 F56 L171 I175 L179I33-I37 HydrophobicContact CG2-CD1 3.79Å; I33-I37 HydrophobicContact CG2-CG1 4.37Å; I33-I37 WeakPolarHBondContact O-CG1 3.3Å; I33-I37 PolarHBondContact O-N 3.41Å; S34-I37 PolarHBondContact O-N 2.96Å; L35-I37 VanDerWaalsContact C-N 3.28Å; L35-I37 PolarHBondContact O-N 2.61Å; I37-G39 PolarHBondContact O-N 2.73Å; I37-F56 HydrophobicContact CG2-CD1 4.19Å; I37-F56 HydrophobicContact CG2-CD2 4.03Å; I37-F56 HydrophobicContact CG2-CE1 3.89Å; I37-F56 HydrophobicContact CG2-CE2 3.74Å; I37-F56 HydrophobicContact CG2-CG 4.26Å; I37-F56 HydrophobicContact CG2-CZ 3.66Å; I37-L171 HydrophobicContact CG1-CD2 4.3Å; I37-I175 HydrophobicContact CD1-CG2 4.24Å; I37-I175 HydrophobicContact CG1-CG2 4.06Å; I37-L179 HydrophobicContact CD1-CD2 4.47Å; I37-L179 HydrophobicContact CG2-CD2 4.28Å
38K90Very high91.2Very high105 Ų10551 Ų5146%0.45731%0.313SS..THydrogen-bonded Turntrans-71.4-8171.7-62.4-17498.31700113.5S34 L35 S36 V40 I54S34-K38 PolarHBondContact O-N 3.14Å; L35-K38 CarbonylContact O-C 3.59Å; L35-K38 WeakPolarHBondContact O-CA 3.46Å; L35-K38 WeakPolarHBondContact O-CB 3.28Å; L35-K38 PolarHBondContact O-N 3.41Å; L35-K38 VanDerWaalsContact O-N 3.07Å; S36-K38 VanDerWaalsContact C-N 3.33Å; K38-V40 VanDerWaalsContact C-N 3.34Å; K38-V40 HydrophobicContact CB-CG2 4.16Å; K38-I54 HydrophobicContact CD-CB 4.29Å; K38-I54 HydrophobicContact CD-CD1 4.48Å; K38-I54 HydrophobicContact CD-CG1 4.13Å; K38-I54 HydrophobicContact CD-CG2 3.38Å; K38-I54 HydrophobicContact CG-CG2 3.45Å; K38-I54 VanDerWaalsContact CG-CG2 3.45Å
39G89.5Confident90.8Very high54 Ų5458 Ų5856%0.55735%0.35SS*.THydrogen-bonded Turntrans77.319.5-173.800000113.8L35 S36 I37L35-G39 PolarHBondContact O-N 3.44Å; S36-G39 WeakPolarHBondContact O-CA 3.45Å; S36-G39 PolarHBondContact O-N 3.2Å; I37-G39 PolarHBondContact O-N 2.73Å
40V88.4Confident90.5Very high72 Ų7258.3 Ų58.344%0.43635%0.352SS..  trans-95.8120.6176-179.50000108.6L35 K38L35-V40 CarbonylContact C-O 3.56Å; L35-V40 HydrophobicContact CB-CB 4.36Å; L35-V40 HydrophobicContact CD2-CB 4.49Å; L35-V40 PolarHBondContact O-N 2.67Å; K38-V40 VanDerWaalsContact C-N 3.34Å; K38-V40 HydrophobicContact CB-CG2 4.16Å
41S85.3Confident90.3Very high62 Ų6262.9 Ų62.943%0.43437%0.372SS..  trans-74.8132.5169.455.10000109.7L165S41-L165 WeakPolarHBondContact CB-O 3.44Å
42S78.2Confident90.2Very high25 Ų2565.6 Ų65.618%0.17539%0.386CS..  trans-121.7111.1177.663.40000110V45S42-V45 WeakPolarHBondContact OG-CG2 3.05Å
43D75.1Confident90.1Very high149 Ų14969.3 Ų69.380%0.79740%0.397SS*.SBendtrans-78.1-33.5177.4-63-29.7000111.5
44L85.4Confident90.1Very high170 Ų17069.4 Ų69.489%0.8940%0.398SS*.  trans-137.9128.5177.9-67171.8000109.7
45V89.8Confident90Very high54 Ų5474.9 Ų74.933%0.32742%0.423SS..  trans-126118177.3179.50000107.9T31 L35 S42T31-V45 HydrophobicContact CG2-CG1 3.52Å; L35-V45 HydrophobicContact CD1-CG2 4.23Å; S42-V45 WeakPolarHBondContact OG-CG2 3.05Å
46A92Very high90Very high78 Ų7874.5 Ų74.565%0.64542%0.42SS*.PPolyproline II helixtrans-73.2155175.300000110.9T48A46-T48 PolarHBondContact O-N 3.03Å
47P93Very high90Very high119 Ų11977.5 Ų77.577%0.77345%0.445SS*.PPolyproline II helixtrans-55.4125.5172.3-2534.5000111.8I49P47-I49 PolarHBondContact O-N 3.05Å
48T89.4Confident89.8Confident40 Ų4078.3 Ų78.325%0.24545%0.449CS..PPolyproline II helixtrans-71.1118.8-178.9-48.20000110.9T31 A46 G69T31-T48 PolarHBondContact OG1-OG1 3.2Å; A46-T48 PolarHBondContact O-N 3.03Å; T48-G69 VanDerWaalsContact O-CA 3.28Å; T48-G69 WeakPolarHBondContact O-CA 3.13Å
49I88.7Confident89.6Confident150 Ų15079.2 Ų79.277%0.76946%0.459SS*.  trans-105.4104.7172.3-56.1174.6000107.7P47 I74P47-I49 PolarHBondContact O-N 3.05Å; I49-I74 HydrophobicContact CG2-CD1 4.09Å
50G90.2Very high89.6Confident18 Ų1878.7 Ų78.719%0.18645%0.447CS..SBendtrans107.1-129.4-179.200000110.3G69G50-G69 PolarHBondContact O-N 3.45Å
51F93.3Very high89.9Confident107 Ų10775.3 Ų75.347%0.46943%0.427SS..EExtended strand (participates in β ladder)trans-142.7157.3177.677.4-75.4000111.5D67 L68 Y81F51-D67 CarbonylContact C-O 3.56Å; F51-D67 WeakPolarHBondContact CA-O 3.5Å; F51-L68 HydrophobicContact CB-CD2 3.31Å; F51-L68 HydrophobicContact CG-CD2 4.38Å; F51-Y81 AromaticContact CD1-CZ 3.94Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.25Å; F51-Y81 HydrophobicContact CD2-CE1 4Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.29Å; F51-Y81 HydrophobicContact CE2-CE1 4.17Å; F51-Y81 HydrophobicContact CG-CE1 4.21Å; F51-Y81 AromaticContact CG-CZ 3.85Å; F51-Y81 WeakPolarHBondContact CG-OH 3.08Å
52D93.8Very high90.4Very high82 Ų8274.5 Ų74.544%0.43942%0.417SS..EExtended strand (participates in β ladder)trans-123.1152.8163-170.721.5000109.8D67D52-D67 HydrophobicContact CB-CB 4.5Å; D52-D67 PolarHBondContact N-O 2.54Å; D52-D67 PolarHBondContact O-N 2.94Å
53R95.7Very high91.3Very high102 Ų10273.4 Ų73.439%0.38541%0.409SS..EExtended strand (participates in β ladder)trans-113.6118174.5178.9179.7169.4170.8-5.9109.3E55 N64 Y66R53-E55 HydrophobicContact CG-CG 4.35Å; R53-E55 IonicContact CZ-OE1 3.58Å; R53-E55 VanDerWaalsContact CZ-OE1 3.23Å; R53-E55 IonicContact NE-OE1 2.67Å; R53-E55 PolarHBondContact NE-OE1 2.91Å; R53-E55 IonicContact NH2-OE1 3.46Å; R53-E55 PolarHBondContact NH2-OE1 3.11Å; R53-E55 VanDerWaalsContact NH2-OE1 3.14Å; R53-N64 VanDerWaalsContact CZ-OD1 3.27Å; R53-N64 PolarHBondContact NE-OD1 3.36Å; R53-N64 VanDerWaalsContact NE-OD1 3.1Å; R53-N64 PolarHBondContact NH2-OD1 2.86Å; R53-Y66 HydrophobicContact CB-CD1 4.35Å; R53-Y66 HydrophobicContact CB-CE1 4.42Å; R53-Y66 HydrophobicContact CG-CD1 4.36Å; R53-Y66 HydrophobicContact CG-CE1 4.16Å
54I94.7Very high92.4Very high1 Ų166.4 Ų66.41%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-111.6118-177.7-74.1166.3000109.4S34 K38 F56 L65S34-I54 VanDerWaalsContact CB-CD1 3.41Å; K38-I54 HydrophobicContact CD-CB 4.29Å; K38-I54 HydrophobicContact CD-CD1 4.48Å; K38-I54 HydrophobicContact CD-CG1 4.13Å; K38-I54 HydrophobicContact CD-CG2 3.38Å; K38-I54 HydrophobicContact CG-CG2 3.45Å; K38-I54 VanDerWaalsContact CG-CG2 3.45Å; I54-F56 HydrophobicContact CG2-CD1 3.81Å; I54-F56 HydrophobicContact CG2-CE1 4.12Å; I54-L65 HydrophobicContact CB-CB 4.39Å; I54-L65 PolarHBondContact N-O 2.84Å; I54-L65 PolarHBondContact O-N 2.76Å
55E95.4Very high93Very high115 Ų11558.3 Ų58.354%0.53733%0.329SS..EExtended strand (participates in β ladder)trans-102.9131.8-179.5-54.2-173.5174.300110.8R53 I63 N64R53-E55 HydrophobicContact CG-CG 4.35Å; R53-E55 IonicContact CZ-OE1 3.58Å; R53-E55 VanDerWaalsContact CZ-OE1 3.23Å; R53-E55 IonicContact NE-OE1 2.67Å; R53-E55 PolarHBondContact NE-OE1 2.91Å; R53-E55 IonicContact NH2-OE1 3.46Å; R53-E55 PolarHBondContact NH2-OE1 3.11Å; R53-E55 VanDerWaalsContact NH2-OE1 3.14Å; E55-I63 WeakPolarHBondContact CA-O 3.41Å; E55-N64 WeakPolarHBondContact CG-OD1 3.41Å; E55-N64 PolarHBondContact OE1-OD1 2.92Å
56F94.4Very high93.4Very high32 Ų3256.4 Ų56.414%0.1432%0.316CS..EExtended strand (participates in β ladder)trans-155.9158174.157.2-86.1000110.7I37 I54 I58 I63 L65 L179I37-F56 HydrophobicContact CG2-CD1 4.19Å; I37-F56 HydrophobicContact CG2-CD2 4.03Å; I37-F56 HydrophobicContact CG2-CE1 3.89Å; I37-F56 HydrophobicContact CG2-CE2 3.74Å; I37-F56 HydrophobicContact CG2-CG 4.26Å; I37-F56 HydrophobicContact CG2-CZ 3.66Å; I54-F56 HydrophobicContact CG2-CD1 3.81Å; I54-F56 HydrophobicContact CG2-CE1 4.12Å; F56-I58 HydrophobicContact CD2-CD1 3.78Å; F56-I58 HydrophobicContact CD2-CG1 3.83Å; F56-I58 HydrophobicContact CE2-CD1 3.54Å; F56-I58 HydrophobicContact CE2-CG1 4.04Å; F56-I63 HydrophobicContact CD2-CB 4.16Å; F56-I63 HydrophobicContact CD2-CD1 4.02Å; F56-I63 HydrophobicContact CE1-CB 4.39Å; F56-I63 HydrophobicContact CE1-CG2 4Å; F56-I63 HydrophobicContact CE2-CB 3.84Å; F56-I63 HydrophobicContact CE2-CD1 3.46Å; F56-I63 VanDerWaalsContact CE2-CD1 3.46Å; F56-I63 HydrophobicContact CE2-CG1 4.24Å; F56-I63 HydrophobicContact CE2-CG2 3.9Å; F56-I63 HydrophobicContact CZ-CB 3.97Å; F56-I63 HydrophobicContact CZ-CD1 4.21Å; F56-I63 HydrophobicContact CZ-CG2 3.54Å; F56-I63 PolarHBondContact N-O 2.83Å; F56-I63 VanDerWaalsContact N-O 3.09Å; F56-I63 WeakPolarHBondContact O-CA 3.43Å; F56-I63 WeakPolarHBondContact O-CB 3.39Å; F56-I63 PolarHBondContact O-N 3.1Å; F56-L65 HydrophobicContact CE1-CB 3.78Å; F56-L65 HydrophobicContact CE1-CD2 4.06Å; F56-L65 HydrophobicContact CZ-CB 4.43Å; F56-L65 HydrophobicContact CZ-CD2 4.5Å; F56-L179 HydrophobicContact CE2-CD2 4.18Å
57A92.9Very high93.7Very high66 Ų6652.7 Ų52.755%0.54529%0.286SS..EExtended strand (participates in β ladder)trans-110.3131.4179.600000111F61A57-F61 WeakPolarHBondContact CA-O 3.14Å
58I91.1Very high93.8Very high44 Ų4447 Ų4723%0.22625%0.249CC..EExtended strand (participates in β ladder)trans-135.5129.9172.7-60.2179.6000108.7F56 S60 F61 I63 L179 L183F56-I58 HydrophobicContact CD2-CD1 3.78Å; F56-I58 HydrophobicContact CD2-CG1 3.83Å; F56-I58 HydrophobicContact CE2-CD1 3.54Å; F56-I58 HydrophobicContact CE2-CG1 4.04Å; I58-S60 PolarHBondContact O-N 3.19Å; I58-F61 PolarHBondContact N-O 2.86Å; I58-F61 PolarHBondContact O-N 3.24Å; I58-I63 HydrophobicContact CB-CD1 3.87Å; I58-I63 HydrophobicContact CD1-CD1 4.13Å; I58-I63 HydrophobicContact CG1-CD1 4.07Å; I58-L179 HydrophobicContact CD1-CD2 3.31Å; I58-L179 HydrophobicContact CD1-CG 4.03Å; I58-L183 HydrophobicContact CB-CD1 3.79Å; I58-L183 HydrophobicContact CD1-CD1 4.22Å; I58-L183 HydrophobicContact CG2-CD1 3.6Å
59D85.4Confident94.2Very high123 Ų12345.1 Ų45.166%0.65824%0.238SC*.THydrogen-bonded Turntrans52.8-115.8-179-58.5-38.7000112.4
60S89Confident94.6Very high44 Ų4438.2 Ų38.231%0.30820%0.203SC..THydrogen-bonded Turntrans-97.810.7179.558.50000114N15 K16 I58 Q187N15-S60 WeakPolarHBondContact CA-O 3.26Å; K16-S60 PolarHBondContact N-O 3.12Å; I58-S60 PolarHBondContact O-N 3.19Å; S60-Q187 PolarHBondContact OG-NE2 2.96Å
61F95.1Very high94.8Very high1 Ų138.4 Ų38.40%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-117.9139.5-173.7-63.3-65.7000112.2K16 I18 A57 I58 I63 L183 Q187 L190K16-F61 HydrophobicContact CB-CD1 3.94Å; K16-F61 HydrophobicContact CB-CE1 4.16Å; K16-F61 VanDerWaalsContact O-CA 3.32Å; K16-F61 WeakPolarHBondContact O-CA 3.4Å; I18-F61 HydrophobicContact CD1-CB 3.94Å; I18-F61 HydrophobicContact CD1-CD1 3.94Å; I18-F61 HydrophobicContact CD1-CD2 4.2Å; I18-F61 HydrophobicContact CD1-CE1 4.49Å; I18-F61 HydrophobicContact CD1-CG 3.77Å; I18-F61 HydrophobicContact CG1-CB 4.12Å; I18-F61 HydrophobicContact CG1-CD1 4.22Å; I18-F61 HydrophobicContact CG1-CG 4.28Å; I18-F61 HydrophobicContact CG2-CD1 3.64Å; I18-F61 HydrophobicContact CG2-CE1 3.88Å; A57-F61 WeakPolarHBondContact CA-O 3.14Å; I58-F61 PolarHBondContact N-O 2.86Å; I58-F61 PolarHBondContact O-N 3.24Å; F61-I63 HydrophobicContact CB-CG1 4.02Å; F61-L183 HydrophobicContact CD2-CB 4.44Å; F61-L183 HydrophobicContact CD2-CD2 4.24Å; F61-Q187 HydrophobicContact CE2-CB 3.88Å; F61-Q187 HydrophobicContact CE2-CG 4.27Å; F61-Q187 HydrophobicContact CZ-CB 3.79Å; F61-Q187 HydrophobicContact CZ-CG 4.05Å; F61-L190 HydrophobicContact CE1-CD1 4.49Å; F61-L190 HydrophobicContact CE1-CD2 4.41Å
62N96.2Very high94.9Very high45 Ų4540.9 Ų40.924%0.24121%0.211CC..EExtended strand (participates in β ladder)trans-96.9120.4158.5-69.2-15.3000106.5N15 K16 E17 I18N15-N62 HydrophobicContact CB-CB 4.39Å; N15-N62 VanDerWaalsContact CB-CG 3.47Å; N15-N62 VanDerWaalsContact CB-OD1 3.25Å; N15-N62 WeakPolarHBondContact CB-OD1 3.37Å; N15-N62 PolarHBondContact ND2-OD1 3.48Å; K16-N62 PolarHBondContact O-N 3.23Å; E17-N62 CarbonylContact C-O 3.54Å; E17-N62 WeakPolarHBondContact CA-O 3.4Å; E17-N62 VanDerWaalsContact CD-CB 3.43Å; E17-N62 WeakPolarHBondContact OE1-CB 3.39Å; E17-N62 PolarHBondContact OE1-ND2 3.46Å; E17-N62 WeakPolarHBondContact OE2-CB 3.44Å; I18-N62 PolarHBondContact N-O 3.3Å
63I97.4Very high94.8Very high1 Ų142.3 Ų42.31%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-108.2126.2-168.9-60.1165.6000108.2I18 L20 E55 F56 I58 F61 L183I18-I63 HydrophobicContact CD1-CG1 4.03Å; I18-I63 HydrophobicContact CG1-CG1 3.92Å; L20-I63 HydrophobicContact CD1-CG2 3.73Å; L20-I63 HydrophobicContact CG-CG2 4.06Å; E55-I63 WeakPolarHBondContact CA-O 3.41Å; F56-I63 HydrophobicContact CD2-CB 4.16Å; F56-I63 HydrophobicContact CD2-CD1 4.02Å; F56-I63 HydrophobicContact CE1-CB 4.39Å; F56-I63 HydrophobicContact CE1-CG2 4Å; F56-I63 HydrophobicContact CE2-CB 3.84Å; F56-I63 HydrophobicContact CE2-CD1 3.46Å; F56-I63 VanDerWaalsContact CE2-CD1 3.46Å; F56-I63 HydrophobicContact CE2-CG1 4.24Å; F56-I63 HydrophobicContact CE2-CG2 3.9Å; F56-I63 HydrophobicContact CZ-CB 3.97Å; F56-I63 HydrophobicContact CZ-CD1 4.21Å; F56-I63 HydrophobicContact CZ-CG2 3.54Å; F56-I63 PolarHBondContact N-O 2.83Å; F56-I63 VanDerWaalsContact N-O 3.09Å; F56-I63 WeakPolarHBondContact O-CA 3.43Å; F56-I63 WeakPolarHBondContact O-CB 3.39Å; F56-I63 PolarHBondContact O-N 3.1Å; I58-I63 HydrophobicContact CB-CD1 3.87Å; I58-I63 HydrophobicContact CD1-CD1 4.13Å; I58-I63 HydrophobicContact CG1-CD1 4.07Å; F61-I63 HydrophobicContact CB-CG1 4.02Å; I63-L183 HydrophobicContact CD1-CD1 3.66Å; I63-L183 HydrophobicContact CD1-CD2 3.7Å; I63-L183 HydrophobicContact CD1-CG 4.31Å; I63-L183 HydrophobicContact CG1-CD2 4.27Å
64N97.7Very high94.7Very high2 Ų238.2 Ų38.21%0.01121%0.209CC..EExtended strand (participates in β ladder)trans-104.7104.3170.7-62.1-72.5000107.7E17 I18 F19 L20 R53 E55E17-N64 PolarHBondContact OE2-ND2 2.85Å; I18-N64 PolarHBondContact O-N 3.09Å; F19-N64 CarbonylContact C-O 3.5Å; F19-N64 WeakPolarHBondContact CA-O 3.41Å; F19-N64 HydrophobicContact CD1-CB 3.46Å; F19-N64 VanDerWaalsContact CD1-CB 3.46Å; F19-N64 HydrophobicContact CE1-CB 3.66Å; F19-N64 HydrophobicContact CG-CB 4.25Å; L20-N64 PolarHBondContact N-O 3.35Å; R53-N64 VanDerWaalsContact CZ-OD1 3.27Å; R53-N64 PolarHBondContact NE-OD1 3.36Å; R53-N64 VanDerWaalsContact NE-OD1 3.1Å; R53-N64 PolarHBondContact NH2-OD1 2.86Å; E55-N64 WeakPolarHBondContact CG-OD1 3.41Å; E55-N64 PolarHBondContact OE1-OD1 2.92Å
65L98.2Very high94.8Very high0 Ų039.8 Ų39.80%021%0.214CC..EExtended strand (participates in β ladder)trans-97.6116.8180-178.566000110L20 I22 I54 F56 I89L20-L65 HydrophobicContact CB-CD1 3.78Å; L20-L65 WeakPolarHBondContact O-CA 3.35Å; I22-L65 HydrophobicContact CB-CD1 4.12Å; I22-L65 HydrophobicContact CG2-CD1 4.28Å; I22-L65 HydrophobicContact CG2-CD2 4.42Å; I22-L65 HydrophobicContact CG2-CG 4.28Å; I54-L65 HydrophobicContact CB-CB 4.39Å; I54-L65 PolarHBondContact N-O 2.84Å; I54-L65 PolarHBondContact O-N 2.76Å; F56-L65 HydrophobicContact CE1-CB 3.78Å; F56-L65 HydrophobicContact CE1-CD2 4.06Å; F56-L65 HydrophobicContact CZ-CB 4.43Å; F56-L65 HydrophobicContact CZ-CD2 4.5Å; L65-I89 HydrophobicContact CD1-CD1 4.22Å
66Y98Very high94.7Very high14 Ų1439.7 Ų39.76%0.05522%0.218CC..EExtended strand (participates in β ladder)trans-84.2114.2171.2-61.4-51.6000110.6F19 L20 I22 R53 Y81 E84 V85F19-Y66 HydrophobicContact CB-CE2 4.22Å; F19-Y66 AromaticContact CD1-CE2 3.69Å; F19-Y66 HydrophobicContact CD1-CE2 3.69Å; F19-Y66 AromaticContact CD1-CZ 3.59Å; F19-Y66 VanDerWaalsContact CD1-OH 3.24Å; F19-Y66 WeakPolarHBondContact CD1-OH 3.42Å; F19-Y66 VanDerWaalsContact CE1-OH 3.3Å; F19-Y66 WeakPolarHBondContact CE1-OH 3.48Å; F19-Y66 HydrophobicContact CG-CE2 4.35Å; L20-Y66 PolarHBondContact O-N 3.45Å; I22-Y66 WeakPolarHBondContact CG2-O 3.43Å; I22-Y66 PolarHBondContact N-O 3.26Å; R53-Y66 HydrophobicContact CB-CD1 4.35Å; R53-Y66 HydrophobicContact CB-CE1 4.42Å; R53-Y66 HydrophobicContact CG-CD1 4.36Å; R53-Y66 HydrophobicContact CG-CE1 4.16Å; Y66-Y81 HydrophobicContact CD1-CD1 4.19Å; Y66-Y81 HydrophobicContact CD1-CE1 4.36Å; Y66-Y81 AromaticContact CD2-CD1 3.91Å; Y66-Y81 HydrophobicContact CD2-CD1 3.91Å; Y66-Y81 HydrophobicContact CE1-CD1 4.39Å; Y66-Y81 HydrophobicContact CE2-CD1 4.1Å; Y66-Y81 AromaticContact CG-CD1 3.94Å; Y66-Y81 HydrophobicContact CG-CD1 3.94Å; Y66-E84 HydrophobicContact CE2-CG 3.99Å; Y66-E84 WeakPolarHBondContact CE2-OE1 3.35Å; Y66-E84 PolarHBondContact OH-OE1 2.99Å; Y66-E84 PolarHBondContact OH-OE2 3.17Å; Y66-V85 HydrophobicContact CD2-CG1 4.31Å
67D97.7Very high94.7Very high1 Ų140.3 Ų40.31%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-96107.2173.1-177.320.9000110.2I22 T31 F51 D52I22-D67 HydrophobicContact CG2-CB 3.85Å; T31-D67 WeakPolarHBondContact CA-OD2 3.46Å; T31-D67 WeakPolarHBondContact CB-OD2 3.49Å; T31-D67 WeakPolarHBondContact CG2-OD2 3.48Å; T31-D67 PolarHBondContact OG1-OD1 2.9Å; T31-D67 PolarHBondContact OG1-OD2 2.77Å; F51-D67 CarbonylContact C-O 3.56Å; F51-D67 WeakPolarHBondContact CA-O 3.5Å; D52-D67 HydrophobicContact CB-CB 4.5Å; D52-D67 PolarHBondContact N-O 2.54Å; D52-D67 PolarHBondContact O-N 2.94Å
68L96.6Very high94.9Very high0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-102.7143.7-174.5-53.1-169.4000111.7V21 L23 K30 F51 W78 Y81V21-L68 HydrophobicContact CG2-CD1 3.82Å; V21-L68 HydrophobicContact CG2-CG 3.95Å; L23-L68 HydrophobicContact CD2-CB 4.21Å; L23-L68 HydrophobicContact CD2-CD1 3.76Å; L23-L68 HydrophobicContact CD2-CG 4.18Å; K30-L68 WeakPolarHBondContact CE-O 3.1Å; F51-L68 HydrophobicContact CB-CD2 3.31Å; F51-L68 HydrophobicContact CG-CD2 4.38Å; L68-W78 HydrophobicContact CD1-CB 4.14Å; L68-W78 HydrophobicContact CD1-CG 3.98Å; L68-Y81 HydrophobicContact CD1-CD2 3.77Å; L68-Y81 HydrophobicContact CD1-CE2 4.38Å; L68-Y81 HydrophobicContact CD1-CG 4.25Å; L68-Y81 HydrophobicContact CD2-CD2 3.96Å; L68-Y81 HydrophobicContact CD2-CE2 3.92Å; L68-Y81 HydrophobicContact CD2-CG 4.33Å
69G96.1Very high95.1Very high0 Ų040.9 Ų40.90%021%0.212CC..  trans-56.9137.9171.600000112.5T48 G50 W78T48-G69 VanDerWaalsContact O-CA 3.28Å; T48-G69 WeakPolarHBondContact O-CA 3.13Å; G50-G69 PolarHBondContact O-N 3.45Å; G69-W78 PolarHBondContact O-NE1 2.69Å
70G96.8Very high95.6Very high5 Ų538.4 Ų38.45%0.05220%0.201CC..  trans-103.90.4-176.800000116.1G24 D26 R75G24-G70 WeakPolarHBondContact O-CA 3.46Å; D26-G70 PolarHBondContact N-O 3.25Å; G70-R75 VanDerWaalsContact O-CZ 3.31Å; G70-R75 PolarHBondContact O-NE 2.9Å; G70-R75 PolarHBondContact O-NH2 2.67Å
71G94.9Very high95.9Very high21 Ų2137.8 Ų37.822%0.21619%0.193CC..SBendtrans-69.3146.8-179.900000111.2T73 I74 R75G71-T73 PolarHBondContact O-N 2.93Å; G71-T73 VanDerWaalsContact O-N 3.1Å; G71-I74 VanDerWaalsContact O-CG2 3.29Å; G71-I74 WeakPolarHBondContact O-CG2 2.95Å; G71-I74 PolarHBondContact O-N 2.91Å; G71-R75 WeakPolarHBondContact O-CG 3.25Å; G71-R75 PolarHBondContact O-N 3.38Å
72R95Very high96.1Very high159 Ų15938 Ų3860%0.619%0.193SC*.G310 helixtrans-49.8-41-175.5-69.2-179.6-180-117.13.7113.5I74 E102R72-I74 VanDerWaalsContact C-N 3.26Å; R72-I74 PolarHBondContact O-N 3.01Å; R72-E102 VanDerWaalsContact CZ-CD 3.42Å; R72-E102 IonicContact CZ-OE1 3.71Å; R72-E102 VanDerWaalsContact CZ-OE1 3.27Å; R72-E102 IonicContact CZ-OE2 3.62Å; R72-E102 IonicContact NE-OE1 3.79Å; R72-E102 PolarHBondContact NE-OE1 2.92Å; R72-E102 IonicContact NE-OE2 3.05Å; R72-E102 IonicContact NH2-OE1 2.61Å; R72-E102 PolarHBondContact NH2-OE1 3Å; R72-E102 IonicContact NH2-OE2 2.65Å; R72-E102 PolarHBondContact NH2-OE2 2.96Å
73T93.4Very high96.2Very high113 Ų11335.8 Ų35.869%0.69318%0.182SC*.G310 helixtrans-73.4-9.9-177.154.80000115.2G71G71-T73 PolarHBondContact O-N 2.93Å; G71-T73 VanDerWaalsContact O-N 3.1Å
74I93.4Very high96.2Very high16 Ų1638.2 Ų38.28%0.08219%0.193CC..G310 helixtrans-119.7-6.3-176-163.2148.2000113.8I49 G71 R72 D76 I77I49-I74 HydrophobicContact CG2-CD1 4.09Å; G71-I74 VanDerWaalsContact O-CG2 3.29Å; G71-I74 WeakPolarHBondContact O-CG2 2.95Å; G71-I74 PolarHBondContact O-N 2.91Å; R72-I74 VanDerWaalsContact C-N 3.26Å; R72-I74 PolarHBondContact O-N 3.01Å; I74-D76 PolarHBondContact O-N 3.46Å; I74-D76 VanDerWaalsContact O-N 3.16Å; I74-I77 HydrophobicContact CD1-CD1 4.36Å; I74-I77 HydrophobicContact CG1-CD1 3.83Å; I74-I77 HydrophobicContact CG1-CG1 4.31Å; I74-I77 HydrophobicContact CG1-CG2 4.29Å; I74-I77 WeakPolarHBondContact O-CG1 3.43Å; I74-I77 PolarHBondContact O-N 2.68Å
75R95.5Very high96.2Very high33 Ų3338.1 Ų38.113%0.12519%0.193CC..G310 helixtrans-60-26.8179.7-70176.2-164.2158.39.3112.9D26 G70 G71 I77 W78 E102D26-R75 IonicContact OD1-NH2 2.96Å; D26-R75 PolarHBondContact OD1-NH2 2.76Å; G70-R75 VanDerWaalsContact O-CZ 3.31Å; G70-R75 PolarHBondContact O-NE 2.9Å; G70-R75 PolarHBondContact O-NH2 2.67Å; G71-R75 WeakPolarHBondContact O-CG 3.25Å; G71-R75 PolarHBondContact O-N 3.38Å; R75-I77 PolarHBondContact O-N 3.21Å; R75-W78 HydrophobicContact CB-CD2 4.31Å; R75-W78 HydrophobicContact CG-CD2 4.43Å; R75-W78 HydrophobicContact CG-CH2 4.08Å; R75-W78 HydrophobicContact CG-CZ2 3.78Å; R75-W78 VanDerWaalsContact O-CB 3.27Å; R75-W78 WeakPolarHBondContact O-CB 3.39Å; R75-W78 PolarHBondContact O-N 2.94Å; R75-E102 IonicContact CZ-OE1 3.26Å; R75-E102 IonicContact NH1-OE1 3.55Å; R75-E102 PolarHBondContact NH1-OE1 3.45Å; R75-E102 IonicContact NH2-OE1 3.05Å; R75-E102 PolarHBondContact NH2-OE1 2.96Å
76D93.7Very high96.2Very high113 Ų11338.6 Ų38.660%0.60419%0.194SC*.G310 helixtrans-58.7-21.5179.2-57.1-13.6000113.3I74 W78I74-D76 PolarHBondContact O-N 3.46Å; I74-D76 VanDerWaalsContact O-N 3.16Å; D76-W78 VanDerWaalsContact C-N 3.31Å
77I94.3Very high96.2Very high45 Ų4537.9 Ų37.923%0.23119%0.192CC..G310 helixtrans-77.4-17.5177.380.3179.8000112.8I74 R75 E79 T80 Y81I74-I77 HydrophobicContact CD1-CD1 4.36Å; I74-I77 HydrophobicContact CG1-CD1 3.83Å; I74-I77 HydrophobicContact CG1-CG1 4.31Å; I74-I77 HydrophobicContact CG1-CG2 4.29Å; I74-I77 WeakPolarHBondContact O-CG1 3.43Å; I74-I77 PolarHBondContact O-N 2.68Å; R75-I77 PolarHBondContact O-N 3.21Å; I77-E79 VanDerWaalsContact C-N 3.31Å; I77-E79 PolarHBondContact O-N 3.11Å; I77-T80 WeakPolarHBondContact O-CB 3.38Å; I77-T80 PolarHBondContact O-N 3.37Å; I77-T80 VanDerWaalsContact O-N 3.14Å; I77-T80 PolarHBondContact O-OG1 3.18Å; I77-Y81 HydrophobicContact CG1-CE2 4.47Å; I77-Y81 WeakPolarHBondContact O-CD2 3.23Å
78W97.2Very high96.2Very high10 Ų1037.9 Ų37.94%0.03819%0.192CC..G310 helixtrans-58.8-42.4-170.1-68.10.2000112.7L23 L68 G69 R75 D76 T80 Y81 F82 V106 V110L23-W78 HydrophobicContact CB-CH2 4.35Å; L23-W78 HydrophobicContact CB-CZ3 4.35Å; L23-W78 HydrophobicContact CD1-CE3 4.37Å; L23-W78 HydrophobicContact CD2-CB 4.42Å; L23-W78 HydrophobicContact CD2-CD2 3.72Å; L23-W78 HydrophobicContact CD2-CE3 4.06Å; L23-W78 HydrophobicContact CD2-CG 3.89Å; L23-W78 HydrophobicContact CD2-CZ2 4.36Å; L68-W78 HydrophobicContact CD1-CB 4.14Å; L68-W78 HydrophobicContact CD1-CG 3.98Å; G69-W78 PolarHBondContact O-NE1 2.69Å; R75-W78 HydrophobicContact CB-CD2 4.31Å; R75-W78 HydrophobicContact CG-CD2 4.43Å; R75-W78 HydrophobicContact CG-CH2 4.08Å; R75-W78 HydrophobicContact CG-CZ2 3.78Å; R75-W78 VanDerWaalsContact O-CB 3.27Å; R75-W78 WeakPolarHBondContact O-CB 3.39Å; R75-W78 PolarHBondContact O-N 2.94Å; D76-W78 VanDerWaalsContact C-N 3.31Å; W78-T80 PolarHBondContact O-N 3.17Å; W78-T80 VanDerWaalsContact O-N 3.12Å; W78-Y81 PolarHBondContact O-N 2.9Å; W78-F82 HydrophobicContact CB-CE1 3.9Å; W78-F82 HydrophobicContact CB-CZ 3.72Å; W78-F82 VanDerWaalsContact O-CD1 3.24Å; W78-F82 WeakPolarHBondContact O-CD1 3.32Å; W78-F82 VanDerWaalsContact O-CE1 3.3Å; W78-F82 WeakPolarHBondContact O-CE1 3.47Å; W78-V106 HydrophobicContact CH2-CG1 3.6Å; W78-V106 HydrophobicContact CZ3-CG1 3.37Å; W78-V110 HydrophobicContact CE3-CG2 3.82Å; W78-V110 HydrophobicContact CZ3-CG2 3.72Å
79E95.7Very high96.3Very high113 Ų11338 Ų3853%0.52819%0.192SC..G310 helixtrans-59.6-27.3-178-62.3-175.1170.800112.9I77 Y81 F82I77-E79 VanDerWaalsContact C-N 3.31Å; I77-E79 PolarHBondContact O-N 3.11Å; E79-Y81 PolarHBondContact O-N 3.11Å; E79-F82 HydrophobicContact CB-CD2 4.3Å; E79-F82 HydrophobicContact CB-CE2 4.44Å; E79-F82 HydrophobicContact CG-CD2 4.2Å; E79-F82 HydrophobicContact CG-CE2 3.94Å; E79-F82 PolarHBondContact O-N 2.9Å
80T94.9Very high96.4Very high70 Ų7038 Ų3843%0.42919%0.192SC..G310 helixtrans-64.1-22.3178.469.80000113I77 W78 Q204I77-T80 WeakPolarHBondContact O-CB 3.38Å; I77-T80 PolarHBondContact O-N 3.37Å; I77-T80 VanDerWaalsContact O-N 3.14Å; I77-T80 PolarHBondContact O-OG1 3.18Å; W78-T80 PolarHBondContact O-N 3.17Å; W78-T80 VanDerWaalsContact O-N 3.12Å; T80-Q204 PolarHBondContact O-NE2 3.48Å
81Y96.9Very high96.5Very high32 Ų3237.7 Ų37.713%0.12519%0.189CC..G310 helixtrans-99.1-11.2-179.5-62.1-91.9000113.5F51 Y66 L68 I77 W78 E79 A83 V85F51-Y81 AromaticContact CD1-CZ 3.94Å; F51-Y81 WeakPolarHBondContact CD1-OH 3.25Å; F51-Y81 HydrophobicContact CD2-CE1 4Å; F51-Y81 WeakPolarHBondContact CE1-OH 3.29Å; F51-Y81 HydrophobicContact CE2-CE1 4.17Å; F51-Y81 HydrophobicContact CG-CE1 4.21Å; F51-Y81 AromaticContact CG-CZ 3.85Å; F51-Y81 WeakPolarHBondContact CG-OH 3.08Å; Y66-Y81 HydrophobicContact CD1-CD1 4.19Å; Y66-Y81 HydrophobicContact CD1-CE1 4.36Å; Y66-Y81 AromaticContact CD2-CD1 3.91Å; Y66-Y81 HydrophobicContact CD2-CD1 3.91Å; Y66-Y81 HydrophobicContact CE1-CD1 4.39Å; Y66-Y81 HydrophobicContact CE2-CD1 4.1Å; Y66-Y81 AromaticContact CG-CD1 3.94Å; Y66-Y81 HydrophobicContact CG-CD1 3.94Å; L68-Y81 HydrophobicContact CD1-CD2 3.77Å; L68-Y81 HydrophobicContact CD1-CE2 4.38Å; L68-Y81 HydrophobicContact CD1-CG 4.25Å; L68-Y81 HydrophobicContact CD2-CD2 3.96Å; L68-Y81 HydrophobicContact CD2-CE2 3.92Å; L68-Y81 HydrophobicContact CD2-CG 4.33Å; I77-Y81 HydrophobicContact CG1-CE2 4.47Å; I77-Y81 WeakPolarHBondContact O-CD2 3.23Å; W78-Y81 PolarHBondContact O-N 2.9Å; E79-Y81 PolarHBondContact O-N 3.11Å; Y81-A83 VanDerWaalsContact C-N 3.33Å; Y81-A83 PolarHBondContact O-N 3.44Å; Y81-V85 WeakPolarHBondContact O-CG1 3.44Å
82F98Very high96.7Very high4 Ų436.8 Ų36.82%0.01818%0.179CC..THydrogen-bonded Turntrans-70.9-22.4-168.4-69.3-10.5000115.1L23 W78 E79 V85 V110 H113 C115 I116 K119L23-F82 HydrophobicContact CD1-CE1 3.66Å; L23-F82 HydrophobicContact CD1-CZ 4.01Å; W78-F82 HydrophobicContact CB-CE1 3.9Å; W78-F82 HydrophobicContact CB-CZ 3.72Å; W78-F82 VanDerWaalsContact O-CD1 3.24Å; W78-F82 WeakPolarHBondContact O-CD1 3.32Å; W78-F82 VanDerWaalsContact O-CE1 3.3Å; W78-F82 WeakPolarHBondContact O-CE1 3.47Å; E79-F82 HydrophobicContact CB-CD2 4.3Å; E79-F82 HydrophobicContact CB-CE2 4.44Å; E79-F82 HydrophobicContact CG-CD2 4.2Å; E79-F82 HydrophobicContact CG-CE2 3.94Å; E79-F82 PolarHBondContact O-N 2.9Å; F82-V85 WeakPolarHBondContact O-CG2 3.38Å; F82-V110 HydrophobicContact CZ-CG2 4.32Å; F82-H113 HydrophobicContact CD2-CB 3.98Å; F82-H113 AromaticContact CD2-CD2 3.83Å; F82-H113 AromaticContact CD2-CE1 3.84Å; F82-H113 AromaticContact CD2-CG 3.5Å; F82-H113 VanDerWaalsContact CD2-CG 3.5Å; F82-H113 AromaticContact CD2-ND1 3.51Å; F82-H113 HydrophobicContact CE2-CB 4.09Å; F82-H113 AromaticContact CE2-CG 3.99Å; F82-C115 HydrophobicContact CB-CB 3.94Å; F82-C115 WeakPolarHBondContact O-CB 3.35Å; F82-I116 HydrophobicContact CB-CD1 3.83Å; F82-I116 HydrophobicContact CB-CG1 4Å; F82-I116 HydrophobicContact CD1-CD1 3.86Å; F82-I116 HydrophobicContact CD1-CG1 4.08Å; F82-I116 HydrophobicContact CD2-CD1 4.34Å; F82-I116 HydrophobicContact CD2-CG1 3.73Å; F82-I116 HydrophobicContact CE1-CG1 4.5Å; F82-I116 HydrophobicContact CE2-CG1 4.16Å; F82-I116 HydrophobicContact CG-CD1 3.76Å; F82-I116 HydrophobicContact CG-CG1 3.67Å; F82-K119 PolarHBondContact O-NZ 3.01Å
83A97.9Very high96.8Very high0 Ų030.2 Ų30.20%016%0.156CC..THydrogen-bonded Turntrans-64.7-44.2-177.200000111.9Y81 D200 V201 Q204Y81-A83 VanDerWaalsContact C-N 3.33Å; Y81-A83 PolarHBondContact O-N 3.44Å; A83-D200 HydrophobicContact CB-CB 4.24Å; A83-V201 HydrophobicContact CB-CG2 4.13Å; A83-Q204 HydrophobicContact CB-CB 4.03Å; A83-Q204 HydrophobicContact CB-CG 4.46Å; A83-Q204 VanDerWaalsContact CB-OE1 3.24Å
84E97.4Very high97Very high52 Ų5224.8 Ų24.824%0.24312%0.123CC..THydrogen-bonded Turntrans-86.2-12.8-172.263.1-178.5162.600115F19 Y66 Y86 V197 V201F19-E84 HydrophobicContact CB-CG 4.42Å; F19-E84 HydrophobicContact CG-CG 4.43Å; Y66-E84 HydrophobicContact CE2-CG 3.99Å; Y66-E84 WeakPolarHBondContact CE2-OE1 3.35Å; Y66-E84 PolarHBondContact OH-OE1 2.99Å; Y66-E84 PolarHBondContact OH-OE2 3.17Å; E84-Y86 WeakPolarHBondContact O-CD2 3.41Å; E84-Y86 WeakPolarHBondContact O-CE2 3.41Å; E84-V197 WeakPolarHBondContact O-CG1 3.48Å; E84-V201 HydrophobicContact CB-CG2 3.76Å
85V98.2Very high97.1Very high0 Ų025.3 Ų25.30%013%0.128CC..  trans-77.7144.5-173.2-59.60000112.9F19 V21 Y66 Y81 F82 I116 K119 V197F19-V85 CarbonylContact O-C 3.52Å; F19-V85 WeakPolarHBondContact O-CA 3.43Å; V21-V85 HydrophobicContact CB-CG1 3.87Å; V21-V85 HydrophobicContact CG1-CB 4.35Å; V21-V85 HydrophobicContact CG1-CG1 3.92Å; V21-V85 HydrophobicContact CG1-CG2 4.26Å; Y66-V85 HydrophobicContact CD2-CG1 4.31Å; Y81-V85 WeakPolarHBondContact O-CG1 3.44Å; F82-V85 WeakPolarHBondContact O-CG2 3.38Å; V85-I116 HydrophobicContact CG2-CD1 3.55Å; V85-K119 VanDerWaalsContact O-CD 3.25Å; V85-K119 WeakPolarHBondContact O-CD 3.33Å; V85-K119 WeakPolarHBondContact O-CE 3.27Å; V85-K119 PolarHBondContact O-NZ 3.06Å; V85-V197 WeakPolarHBondContact O-CG2 3.36Å
86Y98.2Very high97.1Very high9 Ų924.8 Ų24.84%0.03513%0.129CC..SBendtrans-94.9-22.8179.7-71.1-116.4000111.9I18 F19 E84 P120 I186 L190 I193 Q194 V197I18-Y86 HydrophobicContact CB-CD1 4.42Å; I18-Y86 HydrophobicContact CB-CD2 4.09Å; I18-Y86 HydrophobicContact CB-CE2 4.31Å; I18-Y86 HydrophobicContact CB-CG 4.15Å; I18-Y86 HydrophobicContact CG2-CD1 4.06Å; I18-Y86 HydrophobicContact CG2-CD2 4.5Å; I18-Y86 HydrophobicContact CG2-CE1 4.02Å; I18-Y86 HydrophobicContact CG2-CE2 4.48Å; I18-Y86 HydrophobicContact CG2-CG 4.3Å; F19-Y86 HydrophobicContact CB-CD2 4.45Å; F19-Y86 HydrophobicContact CD2-CE2 4.27Å; F19-Y86 PolarHBondContact O-N 3.03Å; E84-Y86 WeakPolarHBondContact O-CD2 3.41Å; E84-Y86 WeakPolarHBondContact O-CE2 3.41Å; Y86-P120 WeakPolarHBondContact O-CD 3.38Å; Y86-I186 HydrophobicContact CD1-CG2 4.02Å; Y86-L190 HydrophobicContact CD1-CD1 4.12Å; Y86-L190 HydrophobicContact CE1-CD1 3.9Å; Y86-I193 HydrophobicContact CD1-CG2 3.55Å; Y86-I193 HydrophobicContact CE1-CG2 4.36Å; Y86-I193 HydrophobicContact CG-CG2 4Å; Y86-Q194 PolarHBondContact OH-NE2 3.02Å; Y86-Q194 PolarHBondContact OH-OE1 2.87Å; Y86-V197 HydrophobicContact CD2-CG2 4.32Å; Y86-V197 HydrophobicContact CE2-CG1 4.11Å; Y86-V197 HydrophobicContact CE2-CG2 4.37Å; Y86-V197 HydrophobicContact CG-CG2 4.48Å
87G98.2Very high97.1Very high0 Ų022.5 Ų22.50%012%0.12CC..EExtended strand (participates in β ladder)trans-167.9166.2-179.900000111.1P120G87-P120 VanDerWaalsContact CA-O 3.25Å; G87-P120 WeakPolarHBondContact CA-O 3.24Å
88V98.5Very high97.2Very high1 Ų127.5 Ų27.51%0.00614%0.142CC..EExtended strand (participates in β ladder)trans-118.3136.4-175.1179.60000109.6V21 L23 F90 I116 P120 I121 L122V21-V88 HydrophobicContact CG1-CB 4.43Å; V21-V88 HydrophobicContact CG1-CG1 4.3Å; V21-V88 HydrophobicContact CG1-CG2 3.95Å; L23-V88 HydrophobicContact CD1-CG1 3.97Å; L23-V88 HydrophobicContact CG-CG1 4.39Å; V88-F90 HydrophobicContact CG1-CB 4.29Å; V88-I116 HydrophobicContact CG2-CD1 3.79Å; V88-I116 HydrophobicContact CG2-CG2 3.93Å; V88-P120 PolarHBondContact N-O 3.16Å; V88-I121 HydrophobicContact CB-CB 4.49Å; V88-I121 HydrophobicContact CB-CD1 4.44Å; V88-I121 HydrophobicContact CB-CG1 4.12Å; V88-I121 HydrophobicContact CG1-CD1 4.25Å; V88-I121 HydrophobicContact CG1-CG1 4.26Å; V88-I121 CarbonylContact O-C 3.57Å; V88-I121 WeakPolarHBondContact O-CA 3.03Å; V88-L122 PolarHBondContact O-N 2.87Å
89I98.7Very high97.1Very high1 Ų129.7 Ų29.71%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-102.9120.6162.2-57.2176.2000106.2V21 I22 L23 L65 V91 L122 L124 L179 L182V21-I89 PolarHBondContact O-N 3.34Å; I22-I89 CarbonylContact C-O 3.53Å; I22-I89 VanDerWaalsContact CA-O 3.23Å; I22-I89 WeakPolarHBondContact CA-O 3.43Å; I22-I89 HydrophobicContact CB-CB 4.27Å; I22-I89 HydrophobicContact CD1-CG2 4.07Å; I22-I89 HydrophobicContact CG1-CB 4.14Å; I22-I89 HydrophobicContact CG1-CG2 4Å; L23-I89 PolarHBondContact N-O 2.85Å; L65-I89 HydrophobicContact CD1-CD1 4.22Å; I89-V91 HydrophobicContact CG2-CG2 4.48Å; I89-L122 CarbonylContact C-O 3.57Å; I89-L122 WeakPolarHBondContact CA-O 3.42Å; I89-L122 HydrophobicContact CG1-CB 4.49Å; I89-L122 HydrophobicContact CG1-CD2 4.35Å; I89-L122 HydrophobicContact CG2-CD2 4.49Å; I89-L124 HydrophobicContact CG2-CD1 3.59Å; I89-L124 HydrophobicContact CG2-CG 4.04Å; I89-L179 HydrophobicContact CD1-CD1 4.32Å; I89-L182 HydrophobicContact CD1-CD2 4.41Å; I89-L182 HydrophobicContact CG1-CD2 3.84Å
90F98.6Very high97.1Very high0 Ų025 Ų250%013%0.129CC..EExtended strand (participates in β ladder)trans-119.2121-179.6-171.8-74000109.6L23 V88 I92 V106 L107 V110 I121 L122 L123 L124L23-F90 HydrophobicContact CB-CD2 3.92Å; L23-F90 HydrophobicContact CB-CE2 4.43Å; L23-F90 WeakPolarHBondContact O-CA 3.48Å; V88-F90 HydrophobicContact CG1-CB 4.29Å; F90-I92 HydrophobicContact CD1-CG1 4Å; F90-I92 HydrophobicContact CE1-CG1 4.04Å; F90-V106 HydrophobicContact CE2-CG1 4.18Å; F90-V106 HydrophobicContact CZ-CG1 4.19Å; F90-L107 HydrophobicContact CD1-CD1 4.04Å; F90-L107 HydrophobicContact CD2-CD1 3.85Å; F90-L107 HydrophobicContact CE1-CB 4.29Å; F90-L107 HydrophobicContact CE1-CD1 4.12Å; F90-L107 HydrophobicContact CE2-CB 4.3Å; F90-L107 HydrophobicContact CE2-CD1 3.93Å; F90-L107 HydrophobicContact CG-CD1 3.91Å; F90-L107 HydrophobicContact CZ-CB 3.9Å; F90-L107 HydrophobicContact CZ-CD1 4.06Å; F90-V110 HydrophobicContact CE2-CG2 4.28Å; F90-I121 HydrophobicContact CB-CD1 3.91Å; F90-I121 HydrophobicContact CB-CG1 4.29Å; F90-L122 PolarHBondContact N-O 2.84Å; F90-L123 HydrophobicContact CB-CD2 3.8Å; F90-L123 HydrophobicContact CD1-CD2 3.88Å; F90-L123 HydrophobicContact CG-CD2 4.13Å; F90-L123 CarbonylContact O-C 3.39Å; F90-L123 WeakPolarHBondContact O-CA 3.47Å; F90-L124 PolarHBondContact O-N 3.1Å
91V98.5Very high97.2Very high0 Ų029 Ų290%014%0.143CC..EExtended strand (participates in β ladder)trans-100.9126.7-171.2-169.90000109.9I22 L23 S28 K30 I33 I89 L124 N126I22-V91 HydrophobicContact CD1-CG2 3.65Å; I22-V91 HydrophobicContact CG1-CG2 3.63Å; L23-V91 PolarHBondContact O-N 2.75Å; S28-V91 VanDerWaalsContact O-CG1 3.28Å; S28-V91 WeakPolarHBondContact O-CG1 3.5Å; K30-V91 HydrophobicContact CG-CB 4.02Å; K30-V91 HydrophobicContact CG-CG2 3.9Å; I33-V91 HydrophobicContact CD1-CB 4.37Å; I33-V91 HydrophobicContact CD1-CG1 3.58Å; I33-V91 HydrophobicContact CD1-CG2 3.76Å; I89-V91 HydrophobicContact CG2-CG2 4.48Å; V91-L124 WeakPolarHBondContact CA-O 3.35Å; V91-N126 HydrophobicContact CG1-CB 3.84Å
92I98.2Very high97.2Very high1 Ų128.2 Ų28.21%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-111.5133.8178.9-59.8156.1000107.8F90 S94 L100 L123 L124 N126 L139 L143F90-I92 HydrophobicContact CD1-CG1 4Å; F90-I92 HydrophobicContact CE1-CG1 4.04Å; I92-S94 PolarHBondContact O-N 3.33Å; I92-L100 HydrophobicContact CG2-CD2 4.08Å; I92-L123 HydrophobicContact CD1-CB 4.33Å; I92-L123 HydrophobicContact CD1-CD2 4.09Å; I92-L124 PolarHBondContact N-O 3.16Å; I92-N126 WeakPolarHBondContact O-CB 3.45Å; I92-N126 PolarHBondContact O-N 2.68Å; I92-L139 HydrophobicContact CG2-CD2 4.04Å; I92-L143 HydrophobicContact CD1-CD1 3.48Å; I92-L143 VanDerWaalsContact CD1-CD1 3.48Å; I92-L143 HydrophobicContact CG1-CD1 4.17Å; I92-L143 HydrophobicContact CG2-CD1 4.41Å
93D97.6Very high97.2Very high21 Ų2128.2 Ų28.211%0.11214%0.141CC..EExtended strand (participates in β ladder)trans-80.8105.6167.8-167.4-22.5000109.4S95 T96 K127D93-S95 PolarHBondContact O-N 3.29Å; D93-S95 WeakPolarHBondContact OD1-CB 3.34Å; D93-S95 PolarHBondContact OD1-N 2.92Å; D93-S95 PolarHBondContact OD1-OG 2.91Å; D93-T96 PolarHBondContact OD2-OG1 3.01Å; D93-K127 WeakPolarHBondContact OD1-CD 3.29Å; D93-K127 WeakPolarHBondContact OD2-CD 3.36Å; D93-K127 WeakPolarHBondContact OD2-CE 3.32Å; D93-K127 IonicContact OD2-NZ 3.7Å; D93-K127 PolarHBondContact OD2-NZ 2.82Å
94S97.4Very high97.2Very high0 Ų030 Ų300%015%0.149CC..THydrogen-bonded Turntrans-72.8-15.4-177.9-37.70000112.2I92 A125 N126 A133 L134I92-S94 PolarHBondContact O-N 3.33Å; S94-A125 WeakPolarHBondContact OG-CA 3.38Å; S94-A125 WeakPolarHBondContact OG-CB 3.36Å; S94-N126 VanDerWaalsContact CB-O 3.24Å; S94-N126 WeakPolarHBondContact CB-O 3.34Å; S94-N126 PolarHBondContact N-O 2.91Å; S94-N126 PolarHBondContact OG-N 3.19Å; S94-N126 PolarHBondContact OG-O 3.46Å; S94-A133 CarbonylContact O-C 3.56Å; S94-A133 VanDerWaalsContact O-CA 3.29Å; S94-A133 WeakPolarHBondContact O-CA 3.48Å; S94-L134 PolarHBondContact O-N 2.9Å
95S96.3Very high97.2Very high27 Ų2732.6 Ų32.619%0.18916%0.161CC..THydrogen-bonded Turntrans-89.1-4.9-176.173.10000114.5D93 P97D93-S95 PolarHBondContact O-N 3.29Å; D93-S95 WeakPolarHBondContact OD1-CB 3.34Å; D93-S95 PolarHBondContact OD1-N 2.92Å; D93-S95 PolarHBondContact OD1-OG 2.91Å; S95-P97 VanDerWaalsContact C-CD 3.47Å; S95-P97 VanDerWaalsContact O-CD 3.32Å; S95-P97 WeakPolarHBondContact O-CD 3.25Å
96T94.9Very high97.2Very high22 Ų2233.2 Ų33.214%0.13517%0.165CC..  trans-12469.3-171.3-510000110.4D93 E98 R99D93-T96 PolarHBondContact OD2-OG1 3.01Å; T96-E98 WeakPolarHBondContact CA-OE2 3.35Å; T96-E98 HydrophobicContact CG2-CG 3.88Å; T96-E98 VanDerWaalsContact CG2-OE1 3.23Å; T96-E98 WeakPolarHBondContact CG2-OE1 3.04Å; T96-E98 PolarHBondContact O-N 3.27Å; T96-E98 VanDerWaalsContact O-N 3.16Å; T96-R99 HydrophobicContact CG2-CB 3.97Å; T96-R99 HydrophobicContact CG2-CG 3.69Å; T96-R99 PolarHBondContact O-N 3.35Å; T96-R99 VanDerWaalsContact O-N 3.13Å
97P93.7Very high97.2Very high65 Ų6532.8 Ų32.842%0.42216%0.163SC..G310 helixtrans-56.1-30.2-179.123.1-34.2000113.3S95 R99 L100 L134S95-P97 VanDerWaalsContact C-CD 3.47Å; S95-P97 VanDerWaalsContact O-CD 3.32Å; S95-P97 WeakPolarHBondContact O-CD 3.25Å; P97-R99 PolarHBondContact O-N 3.03Å; P97-L100 WeakPolarHBondContact O-CB 3.31Å; P97-L100 PolarHBondContact O-N 3.27Å; P97-L100 VanDerWaalsContact O-N 3.13Å; P97-L134 HydrophobicContact CB-CD1 4.13Å
98E95.9Very high97.1Very high150 Ų15034.2 Ų34.270%0.70117%0.172SC*.G310 helixtrans-64.6-17.1179.967.7-86.9-153.900114.2T96T96-E98 WeakPolarHBondContact CA-OE2 3.35Å; T96-E98 HydrophobicContact CG2-CG 3.88Å; T96-E98 VanDerWaalsContact CG2-OE1 3.23Å; T96-E98 WeakPolarHBondContact CG2-OE1 3.04Å; T96-E98 PolarHBondContact O-N 3.27Å; T96-E98 VanDerWaalsContact O-N 3.16Å
99R96.2Very high97.1Very high56 Ų5639.3 Ų39.321%0.21120%0.199CC..G310 helixtrans-104.34.2176.8-66.6-171.470.4-176.54.6113.5L25 D26 T96 P97 E101 E102 C103L25-R99 HydrophobicContact CD1-CB 4.07Å; D26-R99 PolarHBondContact O-NH1 2.92Å; D26-R99 IonicContact OD1-CZ 3.7Å; D26-R99 IonicContact OD1-NH1 3.14Å; D26-R99 IonicContact OD1-NH2 3.81Å; D26-R99 PolarHBondContact OD1-NH2 3Å; D26-R99 IonicContact OD2-CZ 3.01Å; D26-R99 IonicContact OD2-NH1 3.23Å; D26-R99 PolarHBondContact OD2-NH1 3.34Å; D26-R99 IonicContact OD2-NH2 3.61Å; D26-R99 PolarHBondContact OD2-NH2 3.42Å; T96-R99 HydrophobicContact CG2-CB 3.97Å; T96-R99 HydrophobicContact CG2-CG 3.69Å; T96-R99 PolarHBondContact O-N 3.35Å; T96-R99 VanDerWaalsContact O-N 3.13Å; P97-R99 PolarHBondContact O-N 3.03Å; R99-E101 VanDerWaalsContact C-N 3.31Å; R99-E101 PolarHBondContact O-N 3.05Å; R99-E102 IonicContact CZ-OE2 3.43Å; R99-E102 IonicContact NE-OE2 2.83Å; R99-E102 PolarHBondContact NE-OE2 3.41Å; R99-E102 IonicContact NH2-OE1 3.65Å; R99-E102 PolarHBondContact NH2-OE1 3.32Å; R99-E102 IonicContact NH2-OE2 2.79Å; R99-E102 PolarHBondContact NH2-OE2 2.93Å; R99-E102 VanDerWaalsContact NH2-OE2 3.09Å; R99-E102 PolarHBondContact O-N 3.5Å; R99-C103 WeakPolarHBondContact O-CB 3.33Å; R99-C103 PolarHBondContact O-N 3.25Å
100L95.7Very high97Very high15 Ų1539.4 Ų39.48%0.07920%0.2CC..Hα-helixtrans-66.5-31.6-177.5-76.5179.8000113.6I92 P97 C103 H104 L134 L139 A142 L143I92-L100 HydrophobicContact CG2-CD2 4.08Å; P97-L100 WeakPolarHBondContact O-CB 3.31Å; P97-L100 PolarHBondContact O-N 3.27Å; P97-L100 VanDerWaalsContact O-N 3.13Å; L100-C103 WeakPolarHBondContact O-CB 3.36Å; L100-C103 PolarHBondContact O-N 2.99Å; L100-H104 WeakPolarHBondContact O-CB 3.47Å; L100-H104 PolarHBondContact O-N 3.48Å; L100-L134 HydrophobicContact CD1-CD1 3.28Å; L100-L134 HydrophobicContact CG-CD1 4.35Å; L100-L139 HydrophobicContact CD1-CD2 4.37Å; L100-L139 HydrophobicContact CD2-CD2 3.87Å; L100-A142 HydrophobicContact CD1-CB 3.75Å; L100-L143 HydrophobicContact CD2-CD2 4.04Å; L100-L143 HydrophobicContact CD2-CG 4.33Å; L100-L143 WeakPolarHBondContact O-CD2 3.27Å
101E96.4Very high97Very high152 Ų15239.5 Ų39.571%0.7120%0.2SC*.Hα-helixtrans-64.7-47.3175.1-172.5171.7-161.900111.2R99 C103 H104 E105R99-E101 VanDerWaalsContact C-N 3.31Å; R99-E101 PolarHBondContact O-N 3.05Å; E101-C103 VanDerWaalsContact C-N 3.28Å; E101-C103 PolarHBondContact O-N 3.39Å; E101-H104 WeakPolarHBondContact O-CB 2.94Å; E101-H104 PolarHBondContact O-N 3.03Å; E101-E105 WeakPolarHBondContact O-CG 3.48Å; E101-E105 PolarHBondContact O-N 3.44Å
102E97.7Very high96.9Very high16 Ų1641.9 Ų41.98%0.07522%0.217CC..Hα-helixtrans-59.6-40.5171.7-178.3-171.2-179.200111.3L25 R72 R75 R99 H104 E105 V106L25-E102 HydrophobicContact CD1-CB 4.28Å; L25-E102 HydrophobicContact CD1-CG 4.14Å; L25-E102 HydrophobicContact CD2-CG 3.91Å; R72-E102 VanDerWaalsContact CZ-CD 3.42Å; R72-E102 IonicContact CZ-OE1 3.71Å; R72-E102 VanDerWaalsContact CZ-OE1 3.27Å; R72-E102 IonicContact CZ-OE2 3.62Å; R72-E102 IonicContact NE-OE1 3.79Å; R72-E102 PolarHBondContact NE-OE1 2.92Å; R72-E102 IonicContact NE-OE2 3.05Å; R72-E102 IonicContact NH2-OE1 2.61Å; R72-E102 PolarHBondContact NH2-OE1 3Å; R72-E102 IonicContact NH2-OE2 2.65Å; R72-E102 PolarHBondContact NH2-OE2 2.96Å; R75-E102 IonicContact CZ-OE1 3.26Å; R75-E102 IonicContact NH1-OE1 3.55Å; R75-E102 PolarHBondContact NH1-OE1 3.45Å; R75-E102 IonicContact NH2-OE1 3.05Å; R75-E102 PolarHBondContact NH2-OE1 2.96Å; R99-E102 IonicContact CZ-OE2 3.43Å; R99-E102 IonicContact NE-OE2 2.83Å; R99-E102 PolarHBondContact NE-OE2 3.41Å; R99-E102 IonicContact NH2-OE1 3.65Å; R99-E102 PolarHBondContact NH2-OE1 3.32Å; R99-E102 IonicContact NH2-OE2 2.79Å; R99-E102 PolarHBondContact NH2-OE2 2.93Å; R99-E102 VanDerWaalsContact NH2-OE2 3.09Å; R99-E102 PolarHBondContact O-N 3.5Å; E102-H104 VanDerWaalsContact C-N 3.33Å; E102-H104 PolarHBondContact O-N 3.31Å; E102-E105 PolarHBondContact O-N 2.7Å; E102-V106 WeakPolarHBondContact O-CB 3.15Å; E102-V106 VanDerWaalsContact O-CG2 3.27Å; E102-V106 WeakPolarHBondContact O-CG2 3.22Å; E102-V106 PolarHBondContact O-N 3.37Å
103C97.9Very high96.9Very high4 Ų443.5 Ų43.53%0.02722%0.224CC..Hα-helixtrans-62.6-42.5178.7-1680000111.2L25 R99 L100 E101 V106 L107 L143L25-C103 HydrophobicContact CD1-CB 3.83Å; L25-C103 HydrophobicContact CG-CB 4.27Å; R99-C103 WeakPolarHBondContact O-CB 3.33Å; R99-C103 PolarHBondContact O-N 3.25Å; L100-C103 WeakPolarHBondContact O-CB 3.36Å; L100-C103 PolarHBondContact O-N 2.99Å; E101-C103 VanDerWaalsContact C-N 3.28Å; E101-C103 PolarHBondContact O-N 3.39Å; C103-V106 PolarHBondContact O-N 2.97Å; C103-L107 VanDerWaalsContact O-CB 3.27Å; C103-L107 WeakPolarHBondContact O-CB 3.3Å; C103-L107 PolarHBondContact O-N 2.93Å; C103-L143 HydrophobicContact CB-CD2 4.13Å
104H97.4Very high96.8Very high38 Ų3847.3 Ų47.318%0.17625%0.25CS..Hα-helixtrans-61-51.2175.8173.4-96000111.5L100 E101 E102 V106 L107 V108 L143L100-H104 WeakPolarHBondContact O-CB 3.47Å; L100-H104 PolarHBondContact O-N 3.48Å; E101-H104 WeakPolarHBondContact O-CB 2.94Å; E101-H104 PolarHBondContact O-N 3.03Å; E102-H104 VanDerWaalsContact C-N 3.33Å; E102-H104 PolarHBondContact O-N 3.31Å; H104-V106 VanDerWaalsContact C-N 3.31Å; H104-V106 PolarHBondContact O-N 2.99Å; H104-L107 PolarHBondContact O-N 3.43Å; H104-L107 VanDerWaalsContact O-N 3.13Å; H104-V108 WeakPolarHBondContact O-CG2 3.36Å; H104-V108 PolarHBondContact O-N 3.31Å; H104-L143 HydrophobicContact CB-CD2 3.9Å; H104-L143 PolarHBondContact CD2-O 3.26Å; H104-L143 VanDerWaalsContact CD2-O 3.26Å
105E97.3Very high96.8Very high107 Ų10748 Ų4850%0.526%0.255SS..Hα-helixtrans-56.2-45.5177.2-69.7176.217400111.9E101 E102 V108 N109E101-E105 WeakPolarHBondContact O-CG 3.48Å; E101-E105 PolarHBondContact O-N 3.44Å; E102-E105 PolarHBondContact O-N 2.7Å; E105-V108 PolarHBondContact O-N 3.01Å; E105-N109 VanDerWaalsContact O-CG 3.31Å; E105-N109 PolarHBondContact O-N 3.46Å
106V97.7Very high96.9Very high12 Ų1246.8 Ų46.87%0.07325%0.246CC..Hα-helixtrans-65.6-40.2178.2171.70000111.3L25 W78 F90 E102 C103 H104 N109 V110L25-V106 HydrophobicContact CD2-CB 4.11Å; L25-V106 HydrophobicContact CD2-CG1 4.34Å; L25-V106 HydrophobicContact CD2-CG2 3.76Å; W78-V106 HydrophobicContact CH2-CG1 3.6Å; W78-V106 HydrophobicContact CZ3-CG1 3.37Å; F90-V106 HydrophobicContact CE2-CG1 4.18Å; F90-V106 HydrophobicContact CZ-CG1 4.19Å; E102-V106 WeakPolarHBondContact O-CB 3.15Å; E102-V106 VanDerWaalsContact O-CG2 3.27Å; E102-V106 WeakPolarHBondContact O-CG2 3.22Å; E102-V106 PolarHBondContact O-N 3.37Å; C103-V106 PolarHBondContact O-N 2.97Å; H104-V106 VanDerWaalsContact C-N 3.31Å; H104-V106 PolarHBondContact O-N 2.99Å; V106-N109 PolarHBondContact O-N 2.83Å; V106-V110 WeakPolarHBondContact O-CG2 3.25Å; V106-V110 PolarHBondContact O-N 3.3Å
107L97.7Very high97Very high1 Ų147.5 Ų47.51%0.00525%0.252CS..Hα-helixtrans-64.6-42.1177-177.860.9000111.5F90 C103 H104 V110 L111 I121 L123 L145 L148F90-L107 HydrophobicContact CD1-CD1 4.04Å; F90-L107 HydrophobicContact CD2-CD1 3.85Å; F90-L107 HydrophobicContact CE1-CB 4.29Å; F90-L107 HydrophobicContact CE1-CD1 4.12Å; F90-L107 HydrophobicContact CE2-CB 4.3Å; F90-L107 HydrophobicContact CE2-CD1 3.93Å; F90-L107 HydrophobicContact CG-CD1 3.91Å; F90-L107 HydrophobicContact CZ-CB 3.9Å; F90-L107 HydrophobicContact CZ-CD1 4.06Å; C103-L107 VanDerWaalsContact O-CB 3.27Å; C103-L107 WeakPolarHBondContact O-CB 3.3Å; C103-L107 PolarHBondContact O-N 2.93Å; H104-L107 PolarHBondContact O-N 3.43Å; H104-L107 VanDerWaalsContact O-N 3.13Å; L107-V110 PolarHBondContact O-N 3.03Å; L107-L111 HydrophobicContact CD1-CD1 3.97Å; L107-L111 HydrophobicContact CD1-CG 4.02Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 HydrophobicContact CG-CG 4.32Å; L107-L111 WeakPolarHBondContact O-CB 3.27Å; L107-L111 VanDerWaalsContact O-CG 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.24Å; L107-L111 PolarHBondContact O-N 3.38Å; L107-I121 HydrophobicContact CD1-CD1 3.92Å; L107-L123 HydrophobicContact CD1-CD2 4.14Å; L107-L123 HydrophobicContact CD2-CD2 4.38Å; L107-L145 HydrophobicContact CD2-CD2 3.6Å; L107-L148 HydrophobicContact CD2-CD1 4.19Å; L107-L148 HydrophobicContact CG-CD1 4.43Å
108V97.4Very high97.1Very high30 Ų3045.8 Ų45.818%0.18225%0.246CC..Hα-helixtrans-58.2-48.1174.3174.90000110.5H104 E105 V110 L111 S112 L148H104-V108 WeakPolarHBondContact O-CG2 3.36Å; H104-V108 PolarHBondContact O-N 3.31Å; E105-V108 PolarHBondContact O-N 3.01Å; V108-V110 VanDerWaalsContact C-N 3.32Å; V108-V110 PolarHBondContact O-N 3Å; V108-L111 PolarHBondContact O-N 3.42Å; V108-S112 VanDerWaalsContact O-CB 3.22Å; V108-S112 WeakPolarHBondContact O-CB 3.42Å; V108-S112 PolarHBondContact O-N 2.9Å; V108-S112 PolarHBondContact O-OG 2.85Å; V108-L148 HydrophobicContact CG2-CD1 4.01Å; V108-L148 HydrophobicContact CG2-CD2 3.5Å; V108-L148 HydrophobicContact CG2-CG 4.42Å
109N97.1Very high97.2Very high108 Ų10838.8 Ų38.858%0.57821%0.214SC*.Hα-helixtrans-61-41.2178.8-70.2-12.4000111.9E105 V106 S112 H113E105-N109 VanDerWaalsContact O-CG 3.31Å; E105-N109 PolarHBondContact O-N 3.46Å; V106-N109 PolarHBondContact O-N 2.83Å; N109-S112 PolarHBondContact O-OG 3.34Å; N109-S112 VanDerWaalsContact O-OG 3.1Å; N109-H113 PolarHBondContact O-N 3.41Å
110V97.7Very high97.2Very high3 Ų336.1 Ų36.12%0.01820%0.204CC..Hα-helixtrans-65.9-47.5176.5170.50000111.5L23 W78 F82 F90 V106 L107 V108 H113 I116L23-V110 HydrophobicContact CD1-CG1 3.81Å; L23-V110 HydrophobicContact CD1-CG2 3.98Å; W78-V110 HydrophobicContact CE3-CG2 3.82Å; W78-V110 HydrophobicContact CZ3-CG2 3.72Å; F82-V110 HydrophobicContact CZ-CG2 4.32Å; F90-V110 HydrophobicContact CE2-CG2 4.28Å; V106-V110 WeakPolarHBondContact O-CG2 3.25Å; V106-V110 PolarHBondContact O-N 3.3Å; L107-V110 PolarHBondContact O-N 3.03Å; V108-V110 VanDerWaalsContact C-N 3.32Å; V108-V110 PolarHBondContact O-N 3Å; V110-H113 PolarHBondContact O-N 3.38Å; V110-I116 HydrophobicContact CG1-CG2 4.23Å; V110-I116 VanDerWaalsContact O-CB 3.3Å; V110-I116 WeakPolarHBondContact O-CB 3.33Å; V110-I116 WeakPolarHBondContact O-CG2 3.41Å
111L97.4Very high97.4Very high2 Ų235.5 Ų35.51%0.0120%0.201CC..Hα-helixtrans-71.3-33.3-175.9-68.8177.2000113.1L107 V108 H113 S117 I121 L148 Y152 C154L107-L111 HydrophobicContact CD1-CD1 3.97Å; L107-L111 HydrophobicContact CD1-CG 4.02Å; L107-L111 HydrophobicContact CG-CD1 3.89Å; L107-L111 HydrophobicContact CG-CG 4.32Å; L107-L111 WeakPolarHBondContact O-CB 3.27Å; L107-L111 VanDerWaalsContact O-CG 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.24Å; L107-L111 PolarHBondContact O-N 3.38Å; V108-L111 PolarHBondContact O-N 3.42Å; L111-H113 VanDerWaalsContact C-N 3.28Å; L111-H113 PolarHBondContact O-N 2.89Å; L111-S117 WeakPolarHBondContact O-CA 3.35Å; L111-S117 WeakPolarHBondContact O-CB 3.39Å; L111-I121 HydrophobicContact CD2-CD1 3.69Å; L111-I121 HydrophobicContact CD2-CG2 4.29Å; L111-L148 HydrophobicContact CD1-CB 4.12Å; L111-Y152 HydrophobicContact CB-CD2 3.5Å; L111-Y152 VanDerWaalsContact CB-CD2 3.5Å; L111-Y152 HydrophobicContact CB-CE2 4.18Å; L111-Y152 HydrophobicContact CB-CG 3.88Å; L111-Y152 HydrophobicContact CD1-CD2 4.38Å; L111-C154 HydrophobicContact CD2-CB 4.12Å
112S97.2Very high97.5Very high49 Ų4928.3 Ų28.334%0.34317%0.167SC..Hα-helixtrans-71.8-20.4177.862.40000113.8V108 N109V108-S112 VanDerWaalsContact O-CB 3.22Å; V108-S112 WeakPolarHBondContact O-CB 3.42Å; V108-S112 PolarHBondContact O-N 2.9Å; V108-S112 PolarHBondContact O-OG 2.85Å; N109-S112 PolarHBondContact O-OG 3.34Å; N109-S112 VanDerWaalsContact O-OG 3.1Å
113H97.8Very high97.5Very high35 Ų3527.6 Ų27.616%0.16216%0.164CC..SBendtrans-61.1131.2-178.4-171.1-84.9000111.4F82 N109 V110 L111 C115 I116 S117F82-H113 HydrophobicContact CD2-CB 3.98Å; F82-H113 AromaticContact CD2-CD2 3.83Å; F82-H113 AromaticContact CD2-CE1 3.84Å; F82-H113 AromaticContact CD2-CG 3.5Å; F82-H113 VanDerWaalsContact CD2-CG 3.5Å; F82-H113 AromaticContact CD2-ND1 3.51Å; F82-H113 HydrophobicContact CE2-CB 4.09Å; F82-H113 AromaticContact CE2-CG 3.99Å; N109-H113 PolarHBondContact O-N 3.41Å; V110-H113 PolarHBondContact O-N 3.38Å; L111-H113 VanDerWaalsContact C-N 3.28Å; L111-H113 PolarHBondContact O-N 2.89Å; H113-C115 PolarHBondContact ND1-N 2.74Å; H113-C115 VanDerWaalsContact ND1-N 3.11Å; H113-C115 PolarHBondContact O-N 3.05Å; H113-C115 VanDerWaalsContact O-N 3.11Å; H113-I116 HydrophobicContact CB-CB 4.42Å; H113-I116 HydrophobicContact CB-CG1 4.35Å; H113-I116 PolarHBondContact O-N 3.06Å; H113-S117 PolarHBondContact O-N 3.17Å
114P96.8Very high97.5Very high101 Ų10127.5 Ų27.566%0.65616%0.163SC*.THydrogen-bonded Turntrans-58.3-30.8-174.4-27.534.8000114.9I116 R196P114-I116 VanDerWaalsContact C-N 3.34Å; P114-R196 PolarHBondContact O-NH2 3.33Å
115C97.4Very high97.5Very high16 Ų1625.7 Ų25.711%0.10815%0.154CC..THydrogen-bonded Turntrans-79.2-12.8176.2-57.10000113.5F82 H113 K119 R196F82-C115 HydrophobicContact CB-CB 3.94Å; F82-C115 WeakPolarHBondContact O-CB 3.35Å; H113-C115 PolarHBondContact ND1-N 2.74Å; H113-C115 VanDerWaalsContact ND1-N 3.11Å; H113-C115 PolarHBondContact O-N 3.05Å; H113-C115 VanDerWaalsContact O-N 3.11Å; C115-K119 VanDerWaalsContact O-CD 3.23Å; C115-K119 WeakPolarHBondContact O-CD 3.21Å; C115-K119 WeakPolarHBondContact O-CE 3.3Å; C115-K119 PolarHBondContact O-NZ 3.36Å; C115-R196 PolarHBondContact O-NH2 3.38Å
116I97.9Very high97.6Very high1 Ų120.8 Ų20.81%0.00513%0.132CC..THydrogen-bonded Turntrans-106.9-42.6-179.6-61.5-56.5000111.7F82 V85 V88 V110 H113 P114 G118 K119F82-I116 HydrophobicContact CB-CD1 3.83Å; F82-I116 HydrophobicContact CB-CG1 4Å; F82-I116 HydrophobicContact CD1-CD1 3.86Å; F82-I116 HydrophobicContact CD1-CG1 4.08Å; F82-I116 HydrophobicContact CD2-CD1 4.34Å; F82-I116 HydrophobicContact CD2-CG1 3.73Å; F82-I116 HydrophobicContact CE1-CG1 4.5Å; F82-I116 HydrophobicContact CE2-CG1 4.16Å; F82-I116 HydrophobicContact CG-CD1 3.76Å; F82-I116 HydrophobicContact CG-CG1 3.67Å; V85-I116 HydrophobicContact CG2-CD1 3.55Å; V88-I116 HydrophobicContact CG2-CD1 3.79Å; V88-I116 HydrophobicContact CG2-CG2 3.93Å; V110-I116 HydrophobicContact CG1-CG2 4.23Å; V110-I116 VanDerWaalsContact O-CB 3.3Å; V110-I116 WeakPolarHBondContact O-CB 3.33Å; V110-I116 WeakPolarHBondContact O-CG2 3.41Å; H113-I116 HydrophobicContact CB-CB 4.42Å; H113-I116 HydrophobicContact CB-CG1 4.35Å; H113-I116 PolarHBondContact O-N 3.06Å; P114-I116 VanDerWaalsContact C-N 3.34Å; I116-G118 PolarHBondContact O-N 2.77Å; I116-K119 VanDerWaalsContact O-CB 3.27Å; I116-K119 WeakPolarHBondContact O-CB 3.47Å; I116-K119 PolarHBondContact O-N 3.38Å
117S96.9Very high97.5Very high37 Ų3721.8 Ų21.826%0.25914%0.135SC..THydrogen-bonded Turntrans-46.3124.1-178.3170.20000111.9L111 H113 Y152 R196L111-S117 WeakPolarHBondContact O-CA 3.35Å; L111-S117 WeakPolarHBondContact O-CB 3.39Å; H113-S117 PolarHBondContact O-N 3.17Å; S117-Y152 CarbonylContact C-O 3.6Å; S117-Y152 PolarHBondContact OG-O 3.49Å; S117-R196 PolarHBondContact O-NH1 3.08Å; S117-R196 PolarHBondContact O-NH2 3.43Å
118G95.7Very high97.3Very high29 Ų2927.1 Ų27.130%0.29916%0.155SC..THydrogen-bonded Turntrans85.9-7.3-17700000116.4I116 Y152 K153 C154I116-G118 PolarHBondContact O-N 2.77Å; G118-Y152 PolarHBondContact N-O 3.3Å; G118-K153 WeakPolarHBondContact CA-O 2.88Å; G118-C154 PolarHBondContact N-SG 3.44Å
119K97.2Very high97.2Very high2 Ų230.1 Ų30.11%0.00917%0.17CC..SBendtrans-81.4151.3169-65.4-176.4178.3165.20109.9F82 V85 C115 I116 C154F82-K119 PolarHBondContact O-NZ 3.01Å; V85-K119 VanDerWaalsContact O-CD 3.25Å; V85-K119 WeakPolarHBondContact O-CD 3.33Å; V85-K119 WeakPolarHBondContact O-CE 3.27Å; V85-K119 PolarHBondContact O-NZ 3.06Å; C115-K119 VanDerWaalsContact O-CD 3.23Å; C115-K119 WeakPolarHBondContact O-CD 3.21Å; C115-K119 WeakPolarHBondContact O-CE 3.3Å; C115-K119 PolarHBondContact O-NZ 3.36Å; I116-K119 VanDerWaalsContact O-CB 3.27Å; I116-K119 WeakPolarHBondContact O-CB 3.47Å; I116-K119 PolarHBondContact O-N 3.38Å; K119-C154 WeakPolarHBondContact O-CB 3.45Å
120P97.9Very high97.1Very high1 Ų128.5 Ų28.51%0.00616%0.161CC..  trans-66.5138.7178.329.3-37.2000111.7Y86 G87 V88 P155 W181 L182 Y185 I186Y86-P120 WeakPolarHBondContact O-CD 3.38Å; G87-P120 VanDerWaalsContact CA-O 3.25Å; G87-P120 WeakPolarHBondContact CA-O 3.24Å; V88-P120 PolarHBondContact N-O 3.16Å; P120-P155 CarbonylContact C-O 3.56Å; P120-P155 WeakPolarHBondContact CA-O 3.42Å; P120-P155 HydrophobicContact CB-CB 4.32Å; P120-W181 HydrophobicContact CB-CH2 4.44Å; P120-L182 HydrophobicContact CB-CD1 3.71Å; P120-L182 HydrophobicContact CG-CD1 3.74Å; P120-Y185 HydrophobicContact CB-CD1 3.68Å; P120-Y185 HydrophobicContact CB-CE1 4.21Å; P120-Y185 HydrophobicContact CB-CG 4.07Å; P120-Y185 HydrophobicContact CG-CD1 3.71Å; P120-Y185 HydrophobicContact CG-CE1 4.29Å; P120-Y185 HydrophobicContact CG-CG 4.46Å; P120-I186 HydrophobicContact CG-CD1 4.45Å; P120-I186 HydrophobicContact CG-CG1 3.83Å
121I98.1Very high96.9Very high2 Ų238.3 Ų38.31%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-122.6126.9177-173.7168.1000110.9V88 F90 L107 L111 L123 C154 P155 C156 R157 W181V88-I121 HydrophobicContact CB-CB 4.49Å; V88-I121 HydrophobicContact CB-CD1 4.44Å; V88-I121 HydrophobicContact CB-CG1 4.12Å; V88-I121 HydrophobicContact CG1-CD1 4.25Å; V88-I121 HydrophobicContact CG1-CG1 4.26Å; V88-I121 CarbonylContact O-C 3.57Å; V88-I121 WeakPolarHBondContact O-CA 3.03Å; F90-I121 HydrophobicContact CB-CD1 3.91Å; F90-I121 HydrophobicContact CB-CG1 4.29Å; L107-I121 HydrophobicContact CD1-CD1 3.92Å; L111-I121 HydrophobicContact CD2-CD1 3.69Å; L111-I121 HydrophobicContact CD2-CG2 4.29Å; I121-L123 HydrophobicContact CD1-CD2 4.07Å; I121-L123 HydrophobicContact CG1-CD2 4.34Å; I121-C154 HydrophobicContact CG2-CB 4.03Å; I121-P155 PolarHBondContact N-O 2.68Å; I121-C156 HydrophobicContact CG2-CB 3.92Å; I121-C156 WeakPolarHBondContact O-CA 3.42Å; I121-R157 PolarHBondContact O-N 3.1Å; I121-R157 VanDerWaalsContact O-N 3.16Å; I121-W181 WeakPolarHBondContact O-CZ3 3.5Å
122L98.4Very high96.7Very high1 Ų141.3 Ų41.31%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-99.6112.7170.2174.564.4000108.7V88 I89 F90 L124 R157 E159 G178 W181 L182V88-L122 PolarHBondContact O-N 2.87Å; I89-L122 CarbonylContact C-O 3.57Å; I89-L122 WeakPolarHBondContact CA-O 3.42Å; I89-L122 HydrophobicContact CG1-CB 4.49Å; I89-L122 HydrophobicContact CG1-CD2 4.35Å; I89-L122 HydrophobicContact CG2-CD2 4.49Å; F90-L122 PolarHBondContact N-O 2.84Å; L122-L124 HydrophobicContact CD1-CD2 4.15Å; L122-L124 HydrophobicContact CD2-CD2 4Å; L122-L124 HydrophobicContact CD2-CG 4.28Å; L122-L124 HydrophobicContact CG-CD2 3.94Å; L122-L124 HydrophobicContact CG-CG 4.15Å; L122-R157 HydrophobicContact CD1-CB 4.32Å; L122-R157 HydrophobicContact CD1-CG 4.42Å; L122-E159 HydrophobicContact CD1-CG 4.27Å; L122-G178 VanDerWaalsContact CD2-C 3.43Å; L122-W181 HydrophobicContact CB-CZ3 4.33Å; L122-W181 HydrophobicContact CD1-CE3 4.41Å; L122-L182 HydrophobicContact CB-CD2 4.22Å
123L98.4Very high96.6Very high1 Ų140.2 Ų40.21%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-88.2122172.1-63.7170.4000109.3F90 I92 L107 I121 L145 C156 R157 L158 E159F90-L123 HydrophobicContact CB-CD2 3.8Å; F90-L123 HydrophobicContact CD1-CD2 3.88Å; F90-L123 HydrophobicContact CG-CD2 4.13Å; F90-L123 CarbonylContact O-C 3.39Å; F90-L123 WeakPolarHBondContact O-CA 3.47Å; I92-L123 HydrophobicContact CD1-CB 4.33Å; I92-L123 HydrophobicContact CD1-CD2 4.09Å; L107-L123 HydrophobicContact CD1-CD2 4.14Å; L107-L123 HydrophobicContact CD2-CD2 4.38Å; I121-L123 HydrophobicContact CD1-CD2 4.07Å; I121-L123 HydrophobicContact CG1-CD2 4.34Å; L123-L145 HydrophobicContact CD1-CD1 3.6Å; L123-L145 HydrophobicContact CD1-CD2 3.76Å; L123-L145 HydrophobicContact CD1-CG 4.32Å; L123-C156 WeakPolarHBondContact CD1-SG 3.37Å; L123-R157 PolarHBondContact N-O 2.87Å; L123-L158 HydrophobicContact CB-CB 4.42Å; L123-L158 HydrophobicContact CB-CD1 3.54Å; L123-L158 HydrophobicContact CD1-CD1 4.5Å; L123-L158 CarbonylContact O-C 3.58Å; L123-L158 WeakPolarHBondContact O-CA 3.35Å; L123-E159 PolarHBondContact O-N 3.14Å
124L98.3Very high96.5Very high1 Ų139.9 Ų39.91%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-107.7101.7175-65.6-178000108.9I33 I89 F90 V91 I92 L122 N126 E159I33-L124 HydrophobicContact CD1-CB 4.35Å; I33-L124 HydrophobicContact CD1-CD1 3.89Å; I33-L124 HydrophobicContact CG2-CD1 4.01Å; I89-L124 HydrophobicContact CG2-CD1 3.59Å; I89-L124 HydrophobicContact CG2-CG 4.04Å; F90-L124 PolarHBondContact O-N 3.1Å; V91-L124 WeakPolarHBondContact CA-O 3.35Å; I92-L124 PolarHBondContact N-O 3.16Å; L122-L124 HydrophobicContact CD1-CD2 4.15Å; L122-L124 HydrophobicContact CD2-CD2 4Å; L122-L124 HydrophobicContact CD2-CG 4.28Å; L122-L124 HydrophobicContact CG-CD2 3.94Å; L122-L124 HydrophobicContact CG-CG 4.15Å; L124-N126 PolarHBondContact O-N 3.42Å; L124-N126 VanDerWaalsContact O-N 3.13Å; L124-E159 HydrophobicContact CD2-CB 3.98Å
125A97.9Very high96.3Very high0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-7398.8169.300000107.6S94 L139 L158 E159 H160 C161S94-A125 WeakPolarHBondContact OG-CA 3.38Å; S94-A125 WeakPolarHBondContact OG-CB 3.36Å; A125-L139 HydrophobicContact CB-CD1 3.39Å; A125-L158 HydrophobicContact CB-CD1 4.02Å; A125-E159 PolarHBondContact N-O 2.96Å; A125-H160 HydrophobicContact CB-CB 4.45Å; A125-H160 CarbonylContact O-C 3.54Å; A125-H160 WeakPolarHBondContact O-CA 3.43Å; A125-H160 PolarHBondContact O-CD2 3.44Å; A125-H160 VanDerWaalsContact O-CD2 3.3Å; A125-C161 PolarHBondContact O-N 3.19Å
126N97.8Very high96.1Very high5 Ų540 Ų403%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-92.5168.7-173.2-168.828.1000111.7S28 I33 V91 I92 S94 L124 C161 A163S28-N126 PolarHBondContact O-ND2 2.87Å; I33-N126 HydrophobicContact CD1-CB 4.44Å; V91-N126 HydrophobicContact CG1-CB 3.84Å; I92-N126 WeakPolarHBondContact O-CB 3.45Å; I92-N126 PolarHBondContact O-N 2.68Å; S94-N126 VanDerWaalsContact CB-O 3.24Å; S94-N126 WeakPolarHBondContact CB-O 3.34Å; S94-N126 PolarHBondContact N-O 2.91Å; S94-N126 PolarHBondContact OG-N 3.19Å; S94-N126 PolarHBondContact OG-O 3.46Å; L124-N126 PolarHBondContact O-N 3.42Å; L124-N126 VanDerWaalsContact O-N 3.13Å; N126-C161 CarbonylContact C-O 3.51Å; N126-C161 WeakPolarHBondContact CA-O 3.49Å; N126-A163 WeakPolarHBondContact OD1-CB 3.2Å; N126-A163 PolarHBondContact OD1-N 3.44Å
127K96.3Very high95.9Very high32 Ų3243.4 Ų43.414%0.13924%0.244CC..  trans65.934.3177.3-46.7-164.4-167.6170.60114.4N27 D93 D129 I130 C161N27-K127 WeakPolarHBondContact O-CE 3.38Å; N27-K127 PolarHBondContact O-NZ 3.4Å; D93-K127 WeakPolarHBondContact OD1-CD 3.29Å; D93-K127 WeakPolarHBondContact OD2-CD 3.36Å; D93-K127 WeakPolarHBondContact OD2-CE 3.32Å; D93-K127 IonicContact OD2-NZ 3.7Å; D93-K127 PolarHBondContact OD2-NZ 2.82Å; K127-D129 WeakPolarHBondContact CA-OD1 3.35Å; K127-D129 PolarHBondContact O-N 3.43Å; K127-D129 VanDerWaalsContact O-N 3.1Å; K127-I130 HydrophobicContact CB-CD1 3.88Å; K127-I130 HydrophobicContact CB-CG1 4.16Å; K127-I130 HydrophobicContact CD-CD1 3.78Å; K127-I130 HydrophobicContact CG-CD1 4.39Å; K127-I130 PolarHBondContact O-N 3.23Å; K127-C161 PolarHBondContact N-O 3.24Å
128R94.4Very high95.8Very high113 Ų11346.1 Ų46.143%0.42625%0.253SS..THydrogen-bonded Turntrans-55.7-25.2174.8-177.9175.862.8-160.6-14.8113.6I130 H160 C161 D172R128-I130 VanDerWaalsContact C-N 3.26Å; R128-I130 PolarHBondContact O-N 3.41Å; R128-H160 WeakPolarHBondContact CB-NE2 3.47Å; R128-H160 VanDerWaalsContact CZ-O 3.28Å; R128-H160 PolarHBondContact NH1-O 3.45Å; R128-C161 WeakPolarHBondContact CB-O 3.26Å; R128-C161 PolarHBondContact N-O 3.02Å; R128-D172 IonicContact NH2-OD1 3.08Å; R128-D172 IonicContact NH2-OD2 2.96Å; R128-D172 PolarHBondContact NH2-OD2 3.46Å
129D93.7Very high95.8Very high94 Ų9444.8 Ų44.850%0.50324%0.238SC..THydrogen-bonded Turntrans-69.7-20.1178.758.2-64.1000113.6K127K127-D129 WeakPolarHBondContact CA-OD1 3.35Å; K127-D129 PolarHBondContact O-N 3.43Å; K127-D129 VanDerWaalsContact O-N 3.1Å
130I95.2Very high95.8Very high74 Ų7445.7 Ų45.738%0.37924%0.243SC..SBendtrans-80.8134.9-180-59.1-176.1000110.5K127 R128 G132 A133K127-I130 HydrophobicContact CB-CD1 3.88Å; K127-I130 HydrophobicContact CB-CG1 4.16Å; K127-I130 HydrophobicContact CD-CD1 3.78Å; K127-I130 HydrophobicContact CG-CD1 4.39Å; K127-I130 PolarHBondContact O-N 3.23Å; R128-I130 VanDerWaalsContact C-N 3.26Å; R128-I130 PolarHBondContact O-N 3.41Å; I130-G132 PolarHBondContact O-N 2.97Å; I130-A133 VanDerWaalsContact O-CB 3.27Å; I130-A133 WeakPolarHBondContact O-CB 3.21Å; I130-A133 PolarHBondContact O-N 3.48Å; I130-A133 VanDerWaalsContact O-N 3.15Å
131K94.1Very high95.6Very high209 Ų20949.1 Ų49.191%0.90927%0.272SS*.THydrogen-bonded Turntrans-62.6131175.6-68.6-177.4-179.3177.40110.4
132G92.7Very high95.5Very high65 Ų6551.4 Ų51.467%0.6729%0.291SS*.THydrogen-bonded Turntrans88.74.6-176.800000113.9I130 L134I130-G132 PolarHBondContact O-N 2.97Å; G132-L134 PolarHBondContact O-N 3.33Å
133A95.6Very high95.3Very high25 Ų2551.4 Ų51.421%0.20729%0.291CS..PPolyproline II helixtrans-58.3127.3168.900000110.8S94 I130S94-A133 CarbonylContact O-C 3.56Å; S94-A133 VanDerWaalsContact O-CA 3.29Å; S94-A133 WeakPolarHBondContact O-CA 3.48Å; I130-A133 VanDerWaalsContact O-CB 3.27Å; I130-A133 WeakPolarHBondContact O-CB 3.21Å; I130-A133 PolarHBondContact O-N 3.48Å; I130-A133 VanDerWaalsContact O-N 3.15Å
134L95.9Very high95.2Very high29 Ų2956.4 Ų56.415%0.15231%0.314CS..PPolyproline II helixtrans-65.1145.2179.5-64.1172.3000111.2S94 P97 L100 G132 E138 L139 H160S94-L134 PolarHBondContact O-N 2.9Å; P97-L134 HydrophobicContact CB-CD1 4.13Å; L100-L134 HydrophobicContact CD1-CD1 3.28Å; L100-L134 HydrophobicContact CG-CD1 4.35Å; G132-L134 PolarHBondContact O-N 3.33Å; L134-E138 VanDerWaalsContact CA-OE2 3.28Å; L134-E138 WeakPolarHBondContact CA-OE2 3.44Å; L134-E138 HydrophobicContact CB-CB 4.12Å; L134-E138 HydrophobicContact CD2-CB 4.15Å; L134-E138 WeakPolarHBondContact CD2-OE2 3.03Å; L134-L139 HydrophobicContact CB-CD2 4.11Å; L134-L139 HydrophobicContact CB-CG 3.98Å; L134-L139 HydrophobicContact CD1-CD2 3.96Å; L134-H160 PolarHBondContact O-CE1 2.79Å; L134-H160 PolarHBondContact O-NE2 3.12Å
135D93.4Very high95Very high76 Ų7656.4 Ų56.441%0.40631%0.314SS..PPolyproline II helixtrans-80.5173.5174.478.125.6000112.7S137 E138 L139D135-S137 VanDerWaalsContact C-N 3.25Å; D135-S137 PolarHBondContact O-N 3.45Å; D135-S137 WeakPolarHBondContact OD1-CA 3.12Å; D135-S137 WeakPolarHBondContact OD1-CB 3.16Å; D135-S137 PolarHBondContact OD1-N 3.1Å; D135-E138 PolarHBondContact N-OE2 3.36Å; D135-E138 PolarHBondContact O-N 3.3Å; D135-E138 WeakPolarHBondContact OD1-CG 3.3Å; D135-E138 PolarHBondContact OD1-N 2.68Å; D135-L139 WeakPolarHBondContact O-CG 3.35Å; D135-L139 PolarHBondContact O-N 3.49Å
136E92Very high94.7Very high44 Ų4460 Ų6021%0.20633%0.333CS..Hα-helixtrans-59.9-36.4-179.5-68.4175.7-170.200112.3I140 L158 H160E136-I140 WeakPolarHBondContact O-CB 3.19Å; E136-I140 WeakPolarHBondContact O-CD1 3.49Å; E136-I140 WeakPolarHBondContact O-CG1 3.35Å; E136-I140 PolarHBondContact O-N 2.83Å; E136-L158 HydrophobicContact CB-CD2 4.07Å; E136-L158 HydrophobicContact CG-CD2 4.21Å; E136-H160 HydrophobicContact CG-CB 4.19Å
137S93.9Very high94.5Very high71 Ų7165 Ų6550%0.49736%0.36SS..Hα-helixtrans-72.9-40.7-176.8-56.40000110.9D135 I140 A141D135-S137 VanDerWaalsContact C-N 3.25Å; D135-S137 PolarHBondContact O-N 3.45Å; D135-S137 WeakPolarHBondContact OD1-CA 3.12Å; D135-S137 WeakPolarHBondContact OD1-CB 3.16Å; D135-S137 PolarHBondContact OD1-N 3.1Å; S137-I140 PolarHBondContact O-N 3.02Å; S137-A141 WeakPolarHBondContact O-CB 3.35Å; S137-A141 PolarHBondContact O-N 3.14Å
138E95.4Very high94.3Very high95 Ų9564 Ų6444%0.44436%0.356SS..Hα-helixtrans-62.5-43.6174.4-69.4172.4152.200111.3L134 D135 A141 A142L134-E138 VanDerWaalsContact CA-OE2 3.28Å; L134-E138 WeakPolarHBondContact CA-OE2 3.44Å; L134-E138 HydrophobicContact CB-CB 4.12Å; L134-E138 HydrophobicContact CD2-CB 4.15Å; L134-E138 WeakPolarHBondContact CD2-OE2 3.03Å; D135-E138 PolarHBondContact N-OE2 3.36Å; D135-E138 PolarHBondContact O-N 3.3Å; D135-E138 WeakPolarHBondContact OD1-CG 3.3Å; D135-E138 PolarHBondContact OD1-N 2.68Å; E138-A141 PolarHBondContact O-N 3.12Å; E138-A142 WeakPolarHBondContact O-CB 3.46Å; E138-A142 PolarHBondContact O-N 3.09Å
139L95.9Very high94.2Very high0 Ų058.6 Ų58.60%034%0.336CS..Hα-helixtrans-66.3-42177-72.6172.2000112.7I92 L100 A125 L134 D135 A141 A142 L143 L158I92-L139 HydrophobicContact CG2-CD2 4.04Å; L100-L139 HydrophobicContact CD1-CD2 4.37Å; L100-L139 HydrophobicContact CD2-CD2 3.87Å; A125-L139 HydrophobicContact CB-CD1 3.39Å; L134-L139 HydrophobicContact CB-CD2 4.11Å; L134-L139 HydrophobicContact CB-CG 3.98Å; L134-L139 HydrophobicContact CD1-CD2 3.96Å; D135-L139 WeakPolarHBondContact O-CG 3.35Å; D135-L139 PolarHBondContact O-N 3.49Å; L139-A141 VanDerWaalsContact C-N 3.32Å; L139-A141 PolarHBondContact O-N 2.97Å; L139-A142 PolarHBondContact O-N 3.37Å; L139-L143 WeakPolarHBondContact O-CB 3.3Å; L139-L143 PolarHBondContact O-N 3.2Å; L139-L158 HydrophobicContact CB-CD2 4.49Å
140I95.5Very high94.1Very high22 Ų2257.8 Ų57.811%0.11333%0.332CS..Hα-helixtrans-59.2-46.1176.1-71.1164000110.5E136 S137 Q144 L145 L158 A506 I508E136-I140 WeakPolarHBondContact O-CB 3.19Å; E136-I140 WeakPolarHBondContact O-CD1 3.49Å; E136-I140 WeakPolarHBondContact O-CG1 3.35Å; E136-I140 PolarHBondContact O-N 2.83Å; S137-I140 PolarHBondContact O-N 3.02Å; I140-Q144 WeakPolarHBondContact O-CA 3.45Å; I140-Q144 PolarHBondContact O-N 3.26Å; I140-Q144 VanDerWaalsContact O-N 3.11Å; I140-L145 HydrophobicContact CG1-CD1 3.98Å; I140-L145 HydrophobicContact CG2-CB 4.42Å; I140-L145 PolarHBondContact O-N 3.19Å; I140-L158 HydrophobicContact CD1-CD2 4.27Å; I140-L158 HydrophobicContact CG1-CD2 3.9Å; I140-A506 HydrophobicContact CD1-CB 3.81Å; I140-I508 HydrophobicContact CD1-CD1 3.91Å; I140-I508 HydrophobicContact CD1-CG1 4.39Å; I140-I508 HydrophobicContact CG1-CD1 3.88Å; I140-I508 HydrophobicContact CG2-CD1 4.12Å
141A95.3Very high94.1Very high73 Ų7360.1 Ų60.160%0.60334%0.341SS*.Hα-helixtrans-67.2-47.2178.800000112S137 E138 L139 L143 Q144S137-A141 WeakPolarHBondContact O-CB 3.35Å; S137-A141 PolarHBondContact O-N 3.14Å; E138-A141 PolarHBondContact O-N 3.12Å; L139-A141 VanDerWaalsContact C-N 3.32Å; L139-A141 PolarHBondContact O-N 2.97Å; A141-L143 PolarHBondContact O-N 3.19Å; A141-Q144 PolarHBondContact O-N 3.42Å
142A94.8Very high94.2Very high50 Ų5052 Ų5241%0.41331%0.305SS..Hα-helixtrans-69.3-33.9-175.100000113.2L100 E138 L139L100-A142 HydrophobicContact CD1-CB 3.75Å; E138-A142 WeakPolarHBondContact O-CB 3.46Å; E138-A142 PolarHBondContact O-N 3.09Å; L139-A142 PolarHBondContact O-N 3.37Å
143L95.6Very high94.3Very high0 Ų055.8 Ų55.80%030%0.303CS..THydrogen-bonded Turntrans-95.57.2177.1-61.9174.2000113I92 L100 C103 H104 L139 A141 L145 L148I92-L143 HydrophobicContact CD1-CD1 3.48Å; I92-L143 VanDerWaalsContact CD1-CD1 3.48Å; I92-L143 HydrophobicContact CG1-CD1 4.17Å; I92-L143 HydrophobicContact CG2-CD1 4.41Å; L100-L143 HydrophobicContact CD2-CD2 4.04Å; L100-L143 HydrophobicContact CD2-CG 4.33Å; L100-L143 WeakPolarHBondContact O-CD2 3.27Å; C103-L143 HydrophobicContact CB-CD2 4.13Å; H104-L143 HydrophobicContact CB-CD2 3.9Å; H104-L143 PolarHBondContact CD2-O 3.26Å; H104-L143 VanDerWaalsContact CD2-O 3.26Å; L139-L143 WeakPolarHBondContact O-CB 3.3Å; L139-L143 PolarHBondContact O-N 3.2Å; A141-L143 PolarHBondContact O-N 3.19Å; L143-L145 HydrophobicContact CB-CD2 3.63Å; L143-L145 HydrophobicContact CB-CG 3.82Å; L143-L145 HydrophobicContact CD1-CD2 4.24Å; L143-L145 PolarHBondContact O-N 2.92Å; L143-L148 VanDerWaalsContact O-CD1 3.31Å; L143-L148 WeakPolarHBondContact O-CD1 3.35Å
144Q95.1Very high94.3Very high106 Ų10654.6 Ų54.650%0.49529%0.293SS..THydrogen-bonded Turntrans48.440179.3-58.3176.5-4.500112.7I140 A141 D146 D147 L148I140-Q144 WeakPolarHBondContact O-CA 3.45Å; I140-Q144 PolarHBondContact O-N 3.26Å; I140-Q144 VanDerWaalsContact O-N 3.11Å; A141-Q144 PolarHBondContact O-N 3.42Å; Q144-D146 VanDerWaalsContact C-N 3.29Å; Q144-D146 PolarHBondContact O-N 3.29Å; Q144-D147 PolarHBondContact O-N 3.35Å; Q144-D147 VanDerWaalsContact O-N 3.13Å; Q144-L148 PolarHBondContact O-N 2.96Å
145L94.1Very high94.3Very high1 Ų154 Ų541%0.00529%0.291CS..Hα-helixtrans-62-36.3-165.1-68.5-177.2000112.5L107 L123 I140 L143 D147 V149 L158 I508L107-L145 HydrophobicContact CD2-CD2 3.6Å; L123-L145 HydrophobicContact CD1-CD1 3.6Å; L123-L145 HydrophobicContact CD1-CD2 3.76Å; L123-L145 HydrophobicContact CD1-CG 4.32Å; I140-L145 HydrophobicContact CG1-CD1 3.98Å; I140-L145 HydrophobicContact CG2-CB 4.42Å; I140-L145 PolarHBondContact O-N 3.19Å; L143-L145 HydrophobicContact CB-CD2 3.63Å; L143-L145 HydrophobicContact CB-CG 3.82Å; L143-L145 HydrophobicContact CD1-CD2 4.24Å; L143-L145 PolarHBondContact O-N 2.92Å; L145-D147 VanDerWaalsContact C-N 3.31Å; L145-D147 PolarHBondContact O-N 3.49Å; L145-V149 WeakPolarHBondContact O-CB 3.16Å; L145-V149 WeakPolarHBondContact O-CG2 3.22Å; L145-V149 PolarHBondContact O-N 3.49Å; L145-L158 HydrophobicContact CD1-CD2 4.32Å; L145-I508 HydrophobicContact CB-CD1 4.13Å
146D91.4Very high94.4Very high75 Ų7550.8 Ų50.840%0.40127%0.274SS..Hα-helixtrans-60-41.8179.3-71.7-48.2000111.9Q144 N150Q144-D146 VanDerWaalsContact C-N 3.29Å; Q144-D146 PolarHBondContact O-N 3.29Å; D146-N150 VanDerWaalsContact O-CB 3.31Å; D146-N150 WeakPolarHBondContact O-CB 3.42Å; D146-N150 PolarHBondContact O-N 2.66Å; D146-N150 PolarHBondContact O-ND2 3.16Å
147D93.6Very high94.6Very high112 Ų11251.6 Ų51.660%0.59928%0.275SS*.Hα-helixtrans-71.9-50-178.9-66.4-35.4000110.8Q144 L145 V149 N150 E151Q144-D147 PolarHBondContact O-N 3.35Å; Q144-D147 VanDerWaalsContact O-N 3.13Å; L145-D147 VanDerWaalsContact C-N 3.31Å; L145-D147 PolarHBondContact O-N 3.49Å; D147-V149 PolarHBondContact O-N 2.79Å; D147-N150 PolarHBondContact O-N 2.96Å; D147-E151 WeakPolarHBondContact O-CB 3.08Å; D147-E151 PolarHBondContact O-N 2.91Å
148L93.4Very high94.8Very high9 Ų948.7 Ų48.75%0.04725%0.254CS..Hα-helixtrans-58.7-47.8-179.2-66.2-177.4000112.4L107 V108 L111 L143 Q144 N150 E151 Y152L107-L148 HydrophobicContact CD2-CD1 4.19Å; L107-L148 HydrophobicContact CG-CD1 4.43Å; V108-L148 HydrophobicContact CG2-CD1 4.01Å; V108-L148 HydrophobicContact CG2-CD2 3.5Å; V108-L148 HydrophobicContact CG2-CG 4.42Å; L111-L148 HydrophobicContact CD1-CB 4.12Å; L143-L148 VanDerWaalsContact O-CD1 3.31Å; L143-L148 WeakPolarHBondContact O-CD1 3.35Å; Q144-L148 PolarHBondContact O-N 2.96Å; L148-N150 VanDerWaalsContact C-N 3.31Å; L148-N150 PolarHBondContact O-N 3.43Å; L148-E151 PolarHBondContact O-N 3.49Å; L148-Y152 HydrophobicContact CD2-CE2 4.25Å; L148-Y152 WeakPolarHBondContact O-CD2 3.46Å; L148-Y152 PolarHBondContact O-N 3Å
149V91.2Very high94.9Very high1 Ų145.5 Ų45.51%0.00624%0.239CC..Hα-helixtrans-67.9-36.6-174.2175.10000110.4L145 D147 K153 C154 C156 V510L145-V149 WeakPolarHBondContact O-CB 3.16Å; L145-V149 WeakPolarHBondContact O-CG2 3.22Å; L145-V149 PolarHBondContact O-N 3.49Å; D147-V149 PolarHBondContact O-N 2.79Å; V149-K153 WeakPolarHBondContact O-CA 3.44Å; V149-K153 PolarHBondContact O-N 2.99Å; V149-C154 WeakPolarHBondContact CG1-O 3.32Å; V149-C154 PolarHBondContact O-N 2.86Å; V149-C154 VanDerWaalsContact O-N 3.16Å; V149-C156 HydrophobicContact CB-CB 4.36Å; V149-C156 HydrophobicContact CG1-CB 3.48Å; V149-C156 VanDerWaalsContact CG1-CB 3.48Å; V149-C156 HydrophobicContact CG2-CB 3.82Å; V149-V510 HydrophobicContact CB-CG2 4.48Å; V149-V510 HydrophobicContact CG1-CG2 3.27Å
150N92.2Very high94.8Very high77 Ų7746.6 Ų46.641%0.41224%0.244SC..Hα-helixtrans-71.8-41.2175.4-75.1-38.7000112.4D146 D147 L148 K153D146-N150 VanDerWaalsContact O-CB 3.31Å; D146-N150 WeakPolarHBondContact O-CB 3.42Å; D146-N150 PolarHBondContact O-N 2.66Å; D146-N150 PolarHBondContact O-ND2 3.16Å; D147-N150 PolarHBondContact O-N 2.96Å; L148-N150 VanDerWaalsContact C-N 3.31Å; L148-N150 PolarHBondContact O-N 3.43Å; N150-K153 PolarHBondContact O-N 3.19Å
151E95.8Very high94.9Very high123 Ų12345.5 Ų45.558%0.57524%0.239SC*.Hα-helixtrans-58.4-51.2177.9-177.9176.1-175.700111.3D147 L148 K153D147-E151 WeakPolarHBondContact O-CB 3.08Å; D147-E151 PolarHBondContact O-N 2.91Å; L148-E151 PolarHBondContact O-N 3.49Å; E151-K153 VanDerWaalsContact C-N 3.33Å
152Y95.8Very high94.9Very high38 Ų3843.4 Ų43.415%0.14922%0.219CC..THydrogen-bonded Turntrans-89.71.9-177.4-57.7-63000114L111 S117 G118 L148 C154L111-Y152 HydrophobicContact CB-CD2 3.5Å; L111-Y152 VanDerWaalsContact CB-CD2 3.5Å; L111-Y152 HydrophobicContact CB-CE2 4.18Å; L111-Y152 HydrophobicContact CB-CG 3.88Å; L111-Y152 HydrophobicContact CD1-CD2 4.38Å; S117-Y152 CarbonylContact C-O 3.6Å; S117-Y152 PolarHBondContact OG-O 3.49Å; G118-Y152 PolarHBondContact N-O 3.3Å; L148-Y152 HydrophobicContact CD2-CE2 4.25Å; L148-Y152 WeakPolarHBondContact O-CD2 3.46Å; L148-Y152 PolarHBondContact O-N 3Å; Y152-C154 PolarHBondContact O-N 2.8Å; Y152-C154 PolarHBondContact O-SG 3.45Å
153K95.2Very high94.9Very high144 Ų14441.2 Ų41.263%0.62620%0.201SC*.THydrogen-bonded Turntrans56.528176.4-55.2177.3-177.11730114.2G118 V149 N150 E151 P155G118-K153 WeakPolarHBondContact CA-O 2.88Å; V149-K153 WeakPolarHBondContact O-CA 3.44Å; V149-K153 PolarHBondContact O-N 2.99Å; N150-K153 PolarHBondContact O-N 3.19Å; E151-K153 VanDerWaalsContact C-N 3.33Å; K153-P155 WeakPolarHBondContact O-CD 3.21Å
154C95Very high94.7Very high0 Ų045.4 Ų45.40%022%0.223CC..  trans-83.7120.6-177.3-64.20000110L111 G118 K119 I121 V149 Y152 C156 V510L111-C154 HydrophobicContact CD2-CB 4.12Å; G118-C154 PolarHBondContact N-SG 3.44Å; K119-C154 WeakPolarHBondContact O-CB 3.45Å; I121-C154 HydrophobicContact CG2-CB 4.03Å; V149-C154 WeakPolarHBondContact CG1-O 3.32Å; V149-C154 PolarHBondContact O-N 2.86Å; V149-C154 VanDerWaalsContact O-N 3.16Å; Y152-C154 PolarHBondContact O-N 2.8Å; Y152-C154 PolarHBondContact O-SG 3.45Å; C154-C156 PolarHBondContact O-N 2.88Å; C154-V510 WeakPolarHBondContact O-CG2 3.34Å
155P95.6Very high94.3Very high16 Ų1641.7 Ų41.710%0.10421%0.207CC..  trans-58.2124.1168.3-18.328.7000109.7P120 I121 K153 Y185P120-P155 CarbonylContact C-O 3.56Å; P120-P155 WeakPolarHBondContact CA-O 3.42Å; P120-P155 HydrophobicContact CB-CB 4.32Å; I121-P155 PolarHBondContact N-O 2.68Å; K153-P155 WeakPolarHBondContact O-CD 3.21Å; P155-Y185 HydrophobicContact CB-CD2 4.06Å; P155-Y185 HydrophobicContact CB-CE1 4.3Å; P155-Y185 HydrophobicContact CB-CE2 3.55Å; P155-Y185 HydrophobicContact CG-CD2 4.45Å; P155-Y185 HydrophobicContact CG-CE1 3.74Å; P155-Y185 HydrophobicContact CG-CE2 3.61Å; P155-Y185 WeakPolarHBondContact CG-OH 3.4Å
156C96.1Very high93.8Very high10 Ų1046 Ų467%0.06823%0.229CC..EExtended strand (participates in β ladder)trans-122.6145.9-172.5-175.70000112.2I121 L123 V149 C154I121-C156 HydrophobicContact CG2-CB 3.92Å; I121-C156 WeakPolarHBondContact O-CA 3.42Å; L123-C156 WeakPolarHBondContact CD1-SG 3.37Å; V149-C156 HydrophobicContact CB-CB 4.36Å; V149-C156 HydrophobicContact CG1-CB 3.48Å; V149-C156 VanDerWaalsContact CG1-CB 3.48Å; V149-C156 HydrophobicContact CG2-CB 3.82Å; C154-C156 PolarHBondContact O-N 2.88Å
157R96.5Very high93.3Very high60 Ų6046.8 Ų46.823%0.22624%0.239CC..EExtended strand (participates in β ladder)trans-138131164.8-179170.9-178.2152.9-4.9109.6I121 L122 L123 E159 W181I121-R157 PolarHBondContact O-N 3.1Å; I121-R157 VanDerWaalsContact O-N 3.16Å; L122-R157 HydrophobicContact CD1-CB 4.32Å; L122-R157 HydrophobicContact CD1-CG 4.42Å; L123-R157 PolarHBondContact N-O 2.87Å; R157-E159 HydrophobicContact CG-CG 4.29Å; R157-E159 IonicContact CZ-OE1 3.85Å; R157-E159 IonicContact NE-OE1 3.27Å; R157-E159 PolarHBondContact NE-OE1 3.19Å; R157-E159 IonicContact NH2-OE1 3.8Å; R157-E159 PolarHBondContact NH2-OE1 2.94Å; R157-W181 HydrophobicContact CB-CD2 3.6Å; R157-W181 HydrophobicContact CB-CE3 3.52Å; R157-W181 HydrophobicContact CB-CG 4.37Å; R157-W181 HydrophobicContact CB-CH2 3.7Å; R157-W181 HydrophobicContact CB-CZ2 3.75Å; R157-W181 HydrophobicContact CB-CZ3 3.59Å; R157-W181 VanDerWaalsContact CD-CD2 3.46Å; R157-W181 HydrophobicContact CG-CD2 4.19Å; R157-W181 HydrophobicContact CG-CE3 4.33Å; R157-W181 HydrophobicContact CG-CG 4.48Å
158L97.4Very high92.7Very high10 Ų1049.9 Ų49.95%0.05226%0.255CS..EExtended strand (participates in β ladder)trans-100.6134.3172.3-178.563.5000109.5L123 A125 E136 L139 I140 L145L123-L158 HydrophobicContact CB-CB 4.42Å; L123-L158 HydrophobicContact CB-CD1 3.54Å; L123-L158 HydrophobicContact CD1-CD1 4.5Å; L123-L158 CarbonylContact O-C 3.58Å; L123-L158 WeakPolarHBondContact O-CA 3.35Å; A125-L158 HydrophobicContact CB-CD1 4.02Å; E136-L158 HydrophobicContact CB-CD2 4.07Å; E136-L158 HydrophobicContact CG-CD2 4.21Å; L139-L158 HydrophobicContact CB-CD2 4.49Å; I140-L158 HydrophobicContact CD1-CD2 4.27Å; I140-L158 HydrophobicContact CG1-CD2 3.9Å; L145-L158 HydrophobicContact CD1-CD2 4.32Å
159E97Very high92.3Very high28 Ų2854.9 Ų54.913%0.13128%0.278CS..EExtended strand (participates in β ladder)trans-134.1126.3175.8-73.9-69.2165.600110L122 L123 L124 A125 R157 A174L122-E159 HydrophobicContact CD1-CG 4.27Å; L123-E159 PolarHBondContact O-N 3.14Å; L124-E159 HydrophobicContact CD2-CB 3.98Å; A125-E159 PolarHBondContact N-O 2.96Å; R157-E159 HydrophobicContact CG-CG 4.29Å; R157-E159 IonicContact CZ-OE1 3.85Å; R157-E159 IonicContact NE-OE1 3.27Å; R157-E159 PolarHBondContact NE-OE1 3.19Å; R157-E159 IonicContact NH2-OE1 3.8Å; R157-E159 PolarHBondContact NH2-OE1 2.94Å; E159-A174 HydrophobicContact CB-CB 4.25Å
160H95.2Very high92.2Very high23 Ų2363.8 Ų63.811%0.10632%0.317CS..EExtended strand (participates in β ladder)trans-86.9115.6176.3-158.6-173.3000110.3A125 R128 L134 E136 A174A125-H160 HydrophobicContact CB-CB 4.45Å; A125-H160 CarbonylContact O-C 3.54Å; A125-H160 WeakPolarHBondContact O-CA 3.43Å; A125-H160 PolarHBondContact O-CD2 3.44Å; A125-H160 VanDerWaalsContact O-CD2 3.3Å; R128-H160 WeakPolarHBondContact CB-NE2 3.47Å; R128-H160 VanDerWaalsContact CZ-O 3.28Å; R128-H160 PolarHBondContact NH1-O 3.45Å; L134-H160 PolarHBondContact O-CE1 2.79Å; L134-H160 PolarHBondContact O-NE2 3.12Å; E136-H160 HydrophobicContact CG-CB 4.19Å; H160-A174 VanDerWaalsContact O-CB 3.24Å; H160-A174 WeakPolarHBondContact O-CB 3.11Å
161C96.5Very high92.3Very high0 Ų061.9 Ų61.90%031%0.306CS..  trans-135.3168.5-167.869.40000114.6A125 N126 K127 R128 D172 A174 I175A125-C161 PolarHBondContact O-N 3.19Å; N126-C161 CarbonylContact C-O 3.51Å; N126-C161 WeakPolarHBondContact CA-O 3.49Å; K127-C161 PolarHBondContact N-O 3.24Å; R128-C161 WeakPolarHBondContact CB-O 3.26Å; R128-C161 PolarHBondContact N-O 3.02Å; C161-D172 WeakPolarHBondContact CA-OD2 3.5Å; C161-A174 HydrophobicContact CB-CB 3.75Å; C161-I175 HydrophobicContact CB-CD1 4.28Å; C161-I175 HydrophobicContact CB-CG1 3.67Å
162C95.4Very high92.3Very high28 Ų2857.5 Ų57.519%0.18929%0.287CS..  trans-122.4118.3166.91720000109.1L164 D172C162-L164 VanDerWaalsContact C-N 3.32Å; C162-L164 PolarHBondContact O-N 3.5Å; C162-D172 PolarHBondContact N-OD2 2.95Å; C162-D172 WeakPolarHBondContact O-CB 3.33Å
163A94.5Very high92.2Very high4 Ų462 Ų623%0.03331%0.307CS..  trans-71.3-23.7-179.900000114.1T32 I33 S36 N126 L165T32-A163 HydrophobicContact CG2-CB 3.79Å; I33-A163 HydrophobicContact CB-CB 4.5Å; I33-A163 HydrophobicContact CD1-CB 4.24Å; I33-A163 HydrophobicContact CG1-CB 3.36Å; S36-A163 WeakPolarHBondContact CB-O 3.48Å; N126-A163 WeakPolarHBondContact OD1-CB 3.2Å; N126-A163 PolarHBondContact OD1-N 3.44Å; A163-L165 PolarHBondContact O-N 3.03Å; A163-L165 VanDerWaalsContact O-N 3.15Å
164L91.9Very high92.3Very high89 Ų8955.6 Ų55.647%0.46628%0.281SS..  trans-65.1116.7-175.1-63.1175.9000110.5T32 C162 L166T32-L164 HydrophobicContact CG2-CD2 4.22Å; C162-L164 VanDerWaalsContact C-N 3.32Å; C162-L164 PolarHBondContact O-N 3.5Å; L164-L166 PolarHBondContact O-N 2.72Å
165L87Confident92.4Very high27 Ų2755.7 Ų55.714%0.14128%0.281CS..  trans-93.491.5172.3-172.567.2000108.9S41 A163 Q169S41-L165 WeakPolarHBondContact CB-O 3.44Å; A163-L165 PolarHBondContact O-N 3.03Å; A163-L165 VanDerWaalsContact O-N 3.15Å; L165-Q169 VanDerWaalsContact CD1-O 3.3Å; L165-Q169 WeakPolarHBondContact CD1-O 3.31Å
166L83.5Confident92.4Very high92 Ų9259.1 Ų59.148%0.48229%0.292SS..  trans-66.7151.8176.5-63.8175000110.9L164 N168 Q169L164-L166 PolarHBondContact O-N 2.72Å; L166-N168 PolarHBondContact O-N 3.48Å; L166-Q169 HydrophobicContact CB-CB 4.28Å; L166-Q169 HydrophobicContact CB-CG 3.91Å; L166-Q169 WeakPolarHBondContact O-CB 3.34Å; L166-Q169 PolarHBondContact O-N 3.19Å
167P80.6Confident92.4Very high92 Ų9260.7 Ų60.760%0.59730%0.3SS*.THydrogen-bonded Turntrans-51.5133.6176.4-27.134.6000111.9Q169P167-Q169 PolarHBondContact O-N 3.4Å
168N81.8Confident92.5Very high176 Ų17657.9 Ų57.994%0.94129%0.289SS*.THydrogen-bonded Turntrans63.99.4-177.3-51-49000115.9L166L166-N168 PolarHBondContact O-N 3.48Å
169Q84.2Confident92.4Very high115 Ų11557.7 Ų57.754%0.53729%0.288SS..PPolyproline II helixtrans-95.4152.1171.4-62.3-167-5.700111L165 L166 P167L165-Q169 VanDerWaalsContact CD1-O 3.3Å; L165-Q169 WeakPolarHBondContact CD1-O 3.31Å; L166-Q169 HydrophobicContact CB-CB 4.28Å; L166-Q169 HydrophobicContact CB-CG 3.91Å; L166-Q169 WeakPolarHBondContact O-CB 3.34Å; L166-Q169 PolarHBondContact O-N 3.19Å; P167-Q169 PolarHBondContact O-N 3.4Å
170K89.9Confident92.4Very high188 Ų18861.4 Ų61.482%0.81730%0.304SS*.PPolyproline II helixtrans-86156.9172.6-64.8-178.4-178.9179.60108.8D172K170-D172 PolarHBondContact O-N 3.13Å
171L93.5Very high92.5Very high36 Ų3662.7 Ų62.719%0.18831%0.308CS..PPolyproline II helixtrans-46.3136.4168.5-177.165.9000111.1S36 I37 K173 I175 R176S36-L171 VanDerWaalsContact OG-CD1 3.23Å; S36-L171 WeakPolarHBondContact OG-CD1 3.32Å; I37-L171 HydrophobicContact CG1-CD2 4.3Å; L171-K173 PolarHBondContact O-N 3.4Å; L171-I175 HydrophobicContact CD1-CB 4.19Å; L171-I175 HydrophobicContact CD1-CD1 3.98Å; L171-I175 HydrophobicContact CD1-CG2 4.07Å; L171-I175 HydrophobicContact CD2-CB 4.42Å; L171-I175 HydrophobicContact CD2-CG2 4.07Å; L171-I175 HydrophobicContact CG-CB 4.21Å; L171-I175 HydrophobicContact CG-CG2 4.27Å; L171-R176 HydrophobicContact CD2-CB 4.32Å; L171-R176 PolarHBondContact O-NH1 3.2Å
172D94.8Very high92.6Very high31 Ų3162.7 Ų62.717%0.16631%0.308CS..PPolyproline II helixtrans-49133.9177.7-168.7-31.2000109.5R128 C161 C162 K170 A174 I175 R176R128-D172 IonicContact NH2-OD1 3.08Å; R128-D172 IonicContact NH2-OD2 2.96Å; R128-D172 PolarHBondContact NH2-OD2 3.46Å; C161-D172 WeakPolarHBondContact CA-OD2 3.5Å; C162-D172 PolarHBondContact N-OD2 2.95Å; C162-D172 WeakPolarHBondContact O-CB 3.33Å; K170-D172 PolarHBondContact O-N 3.13Å; D172-A174 PolarHBondContact O-N 2.89Å; D172-A174 WeakPolarHBondContact OD1-CB 3.27Å; D172-A174 PolarHBondContact OD1-N 3.33Å; D172-I175 HydrophobicContact CB-CD1 4.1Å; D172-I175 HydrophobicContact CB-CG1 4.16Å; D172-I175 PolarHBondContact O-N 3.13Å; D172-R176 PolarHBondContact O-N 3.4Å; D172-R176 VanDerWaalsContact O-N 3.12Å
173K95.4Very high92.7Very high133 Ų13361.4 Ų61.458%0.57830%0.299SS*.Hα-helixtrans-57-38.3179178.7179.3174.4-166.50111.3L171 R176 D177L171-K173 PolarHBondContact O-N 3.4Å; K173-R176 PolarHBondContact O-N 3.21Å; K173-D177 WeakPolarHBondContact CE-OD2 3.4Å; K173-D177 VanDerWaalsContact CG-OD2 3.24Å; K173-D177 WeakPolarHBondContact CG-OD2 3.4Å; K173-D177 VanDerWaalsContact O-CB 3.27Å; K173-D177 WeakPolarHBondContact O-CB 3.33Å; K173-D177 PolarHBondContact O-N 2.87Å
174A96.2Very high92.7Very high9 Ų963.4 Ų63.47%0.07432%0.316CS..Hα-helixtrans-60.6-46.317900000111.8E159 H160 C161 D172 R176 D177 G178E159-A174 HydrophobicContact CB-CB 4.25Å; H160-A174 VanDerWaalsContact O-CB 3.24Å; H160-A174 WeakPolarHBondContact O-CB 3.11Å; C161-A174 HydrophobicContact CB-CB 3.75Å; D172-A174 PolarHBondContact O-N 2.89Å; D172-A174 WeakPolarHBondContact OD1-CB 3.27Å; D172-A174 PolarHBondContact OD1-N 3.33Å; A174-R176 PolarHBondContact O-N 2.98Å; A174-D177 PolarHBondContact O-N 3.39Å; A174-G178 PolarHBondContact O-N 3.04Å
175I96.9Very high93Very high2 Ų260.9 Ų60.91%0.0130%0.301CS..Hα-helixtrans-62.3-46.6177.3-59173.7000110.3I33 I37 C161 L171 D172 L179I33-I175 HydrophobicContact CG1-CD1 4.34Å; I33-I175 HydrophobicContact CG2-CD1 4.5Å; I33-I175 HydrophobicContact CG2-CG2 4.33Å; I37-I175 HydrophobicContact CD1-CG2 4.24Å; I37-I175 HydrophobicContact CG1-CG2 4.06Å; C161-I175 HydrophobicContact CB-CD1 4.28Å; C161-I175 HydrophobicContact CB-CG1 3.67Å; L171-I175 HydrophobicContact CD1-CB 4.19Å; L171-I175 HydrophobicContact CD1-CD1 3.98Å; L171-I175 HydrophobicContact CD1-CG2 4.07Å; L171-I175 HydrophobicContact CD2-CB 4.42Å; L171-I175 HydrophobicContact CD2-CG2 4.07Å; L171-I175 HydrophobicContact CG-CB 4.21Å; L171-I175 HydrophobicContact CG-CG2 4.27Å; D172-I175 HydrophobicContact CB-CD1 4.1Å; D172-I175 HydrophobicContact CB-CG1 4.16Å; D172-I175 PolarHBondContact O-N 3.13Å; I175-L179 VanDerWaalsContact O-CB 3.32Å; I175-L179 WeakPolarHBondContact O-CB 3.36Å; I175-L179 PolarHBondContact O-N 3.31Å
176R95.7Very high93.4Very high88 Ų8859.6 Ų59.633%0.33229%0.294SS..Hα-helixtrans-63.9-44.8179.8-179177.557.6-103.9-2112.4L171 D172 K173 A174 L179 K180L171-R176 HydrophobicContact CD2-CB 4.32Å; L171-R176 PolarHBondContact O-NH1 3.2Å; D172-R176 PolarHBondContact O-N 3.4Å; D172-R176 VanDerWaalsContact O-N 3.12Å; K173-R176 PolarHBondContact O-N 3.21Å; A174-R176 PolarHBondContact O-N 2.98Å; R176-L179 PolarHBondContact O-N 3.42Å; R176-K180 WeakPolarHBondContact O-CB 3.38Å; R176-K180 VanDerWaalsContact O-CG 3.32Å; R176-K180 WeakPolarHBondContact O-CG 3.45Å; R176-K180 PolarHBondContact O-N 2.92Å
177D96.8Very high94Very high44 Ų4460.1 Ų60.124%0.23529%0.294CS..Hα-helixtrans-71-36.9-177.8-69.2-4.2000110.8K173 A174 W181K173-D177 WeakPolarHBondContact CE-OD2 3.4Å; K173-D177 VanDerWaalsContact CG-OD2 3.24Å; K173-D177 WeakPolarHBondContact CG-OD2 3.4Å; K173-D177 VanDerWaalsContact O-CB 3.27Å; K173-D177 WeakPolarHBondContact O-CB 3.33Å; K173-D177 PolarHBondContact O-N 2.87Å; A174-D177 PolarHBondContact O-N 3.39Å; D177-W181 PolarHBondContact O-N 3.28Å
178G97.5Very high94.7Very high0 Ų058.8 Ų58.80%029%0.287CS..Hα-helixtrans-62.5-47.5171.300000112.8L122 A174 K180 W181 L182L122-G178 VanDerWaalsContact CD2-C 3.43Å; A174-G178 PolarHBondContact O-N 3.04Å; G178-K180 PolarHBondContact O-N 3.39Å; G178-W181 WeakPolarHBondContact O-CB 3.43Å; G178-W181 PolarHBondContact O-N 3.4Å; G178-L182 PolarHBondContact O-N 3.16Å
179L97Very high95.3Very high6 Ų651.9 Ų51.93%0.03125%0.25CS..Hα-helixtrans-63.6-42.2177.8-175.157000111.7L20 I37 F56 I58 I89 I175 R176 W181 L182 L183L20-L179 HydrophobicContact CD1-CD1 4.34Å; I37-L179 HydrophobicContact CD1-CD2 4.47Å; I37-L179 HydrophobicContact CG2-CD2 4.28Å; F56-L179 HydrophobicContact CE2-CD2 4.18Å; I58-L179 HydrophobicContact CD1-CD2 3.31Å; I58-L179 HydrophobicContact CD1-CG 4.03Å; I89-L179 HydrophobicContact CD1-CD1 4.32Å; I175-L179 VanDerWaalsContact O-CB 3.32Å; I175-L179 WeakPolarHBondContact O-CB 3.36Å; I175-L179 PolarHBondContact O-N 3.31Å; R176-L179 PolarHBondContact O-N 3.42Å; L179-W181 VanDerWaalsContact C-N 3.32Å; L179-W181 PolarHBondContact O-N 2.89Å; L179-L182 PolarHBondContact O-N 2.83Å; L179-L183 HydrophobicContact CD1-CD1 4.26Å; L179-L183 HydrophobicContact CD1-CG 4.25Å; L179-L183 HydrophobicContact CG-CD1 4.1Å; L179-L183 HydrophobicContact CG-CG 4.49Å; L179-L183 VanDerWaalsContact O-CG 3.27Å; L179-L183 WeakPolarHBondContact O-CG 3.48Å; L179-L183 PolarHBondContact O-N 3.29Å
180K96.6Very high95.8Very high107 Ų10747.3 Ų47.347%0.46523%0.229SC..Hα-helixtrans-58.3-42.9172.8-79.1-179.7173.6-1670112.4R176 G178 A184R176-K180 WeakPolarHBondContact O-CB 3.38Å; R176-K180 VanDerWaalsContact O-CG 3.32Å; R176-K180 WeakPolarHBondContact O-CG 3.45Å; R176-K180 PolarHBondContact O-N 2.92Å; G178-K180 PolarHBondContact O-N 3.39Å; K180-A184 WeakPolarHBondContact O-CB 3.35Å; K180-A184 PolarHBondContact O-N 3.03Å
181W97.5Very high96.1Very high49 Ų4945.2 Ų45.219%0.18623%0.225CC..Hα-helixtrans-62.3-45.5176.2168.287.3000111.9P120 I121 L122 R157 D177 G178 L179 L183 A184 Y185P120-W181 HydrophobicContact CB-CH2 4.44Å; I121-W181 WeakPolarHBondContact O-CZ3 3.5Å; L122-W181 HydrophobicContact CB-CZ3 4.33Å; L122-W181 HydrophobicContact CD1-CE3 4.41Å; R157-W181 HydrophobicContact CB-CD2 3.6Å; R157-W181 HydrophobicContact CB-CE3 3.52Å; R157-W181 HydrophobicContact CB-CG 4.37Å; R157-W181 HydrophobicContact CB-CH2 3.7Å; R157-W181 HydrophobicContact CB-CZ2 3.75Å; R157-W181 HydrophobicContact CB-CZ3 3.59Å; R157-W181 VanDerWaalsContact CD-CD2 3.46Å; R157-W181 HydrophobicContact CG-CD2 4.19Å; R157-W181 HydrophobicContact CG-CE3 4.33Å; R157-W181 HydrophobicContact CG-CG 4.48Å; D177-W181 PolarHBondContact O-N 3.28Å; G178-W181 WeakPolarHBondContact O-CB 3.43Å; G178-W181 PolarHBondContact O-N 3.4Å; L179-W181 VanDerWaalsContact C-N 3.32Å; L179-W181 PolarHBondContact O-N 2.89Å; W181-L183 PolarHBondContact O-N 3.29Å; W181-A184 PolarHBondContact O-N 3.03Å; W181-Y185 PolarHBondContact O-N 2.96Å
182L97.8Very high96.2Very high0 Ų047.7 Ų47.70%024%0.239CC..Hα-helixtrans-60-48.9179.5178.860.1000110.8L20 I89 P120 L122 G178 L179 Y185 I186L20-L182 HydrophobicContact CD1-CD2 4.14Å; L20-L182 HydrophobicContact CD2-CD2 4.26Å; I89-L182 HydrophobicContact CD1-CD2 4.41Å; I89-L182 HydrophobicContact CG1-CD2 3.84Å; P120-L182 HydrophobicContact CB-CD1 3.71Å; P120-L182 HydrophobicContact CG-CD1 3.74Å; L122-L182 HydrophobicContact CB-CD2 4.22Å; G178-L182 PolarHBondContact O-N 3.16Å; L179-L182 PolarHBondContact O-N 2.83Å; L182-Y185 PolarHBondContact O-N 2.63Å; L182-I186 HydrophobicContact CD1-CD1 4.11Å; L182-I186 HydrophobicContact CG-CD1 4.06Å; L182-I186 WeakPolarHBondContact O-CG1 3.26Å; L182-I186 PolarHBondContact O-N 3.44Å
183L96.9Very high96.3Very high1 Ų146.7 Ų46.71%0.00523%0.233CC..Hα-helixtrans-66.2-39.5179.4-64.6175.2000112.4I18 L20 I58 F61 I63 L179 W181 Y185 I186 Q187I18-L183 HydrophobicContact CD1-CD2 3.49Å; I18-L183 VanDerWaalsContact CD1-CD2 3.49Å; L20-L183 HydrophobicContact CD1-CD2 4.4Å; I58-L183 HydrophobicContact CB-CD1 3.79Å; I58-L183 HydrophobicContact CD1-CD1 4.22Å; I58-L183 HydrophobicContact CG2-CD1 3.6Å; F61-L183 HydrophobicContact CD2-CB 4.44Å; F61-L183 HydrophobicContact CD2-CD2 4.24Å; I63-L183 HydrophobicContact CD1-CD1 3.66Å; I63-L183 HydrophobicContact CD1-CD2 3.7Å; I63-L183 HydrophobicContact CD1-CG 4.31Å; I63-L183 HydrophobicContact CG1-CD2 4.27Å; L179-L183 HydrophobicContact CD1-CD1 4.26Å; L179-L183 HydrophobicContact CD1-CG 4.25Å; L179-L183 HydrophobicContact CG-CD1 4.1Å; L179-L183 HydrophobicContact CG-CG 4.49Å; L179-L183 VanDerWaalsContact O-CG 3.27Å; L179-L183 WeakPolarHBondContact O-CG 3.48Å; L179-L183 PolarHBondContact O-N 3.29Å; W181-L183 PolarHBondContact O-N 3.29Å; L183-Y185 VanDerWaalsContact C-N 3.33Å; L183-Y185 PolarHBondContact O-N 3.2Å; L183-I186 PolarHBondContact O-N 2.98Å; L183-Q187 VanDerWaalsContact O-CB 3.29Å; L183-Q187 WeakPolarHBondContact O-CB 3.23Å; L183-Q187 PolarHBondContact O-N 2.91Å
184A96.2Very high96.4Very high47 Ų4743.1 Ų43.139%0.38822%0.219SC..Hα-helixtrans-63.8-39175.200000111.8K180 W181 Q187 S188K180-A184 WeakPolarHBondContact O-CB 3.35Å; K180-A184 PolarHBondContact O-N 3.03Å; W181-A184 PolarHBondContact O-N 3.03Å; A184-Q187 PolarHBondContact O-N 3.46Å; A184-S188 WeakPolarHBondContact O-CB 2.92Å; A184-S188 PolarHBondContact O-N 3.25Å
185Y96.5Very high96.4Very high35 Ų3546.5 Ų46.514%0.13724%0.242CC..Hα-helixtrans-62.5-52.2174-169.5-77.3000110.7P120 P155 W181 L182 L183 Q187 S188 D189 I193 L516P120-Y185 HydrophobicContact CB-CD1 3.68Å; P120-Y185 HydrophobicContact CB-CE1 4.21Å; P120-Y185 HydrophobicContact CB-CG 4.07Å; P120-Y185 HydrophobicContact CG-CD1 3.71Å; P120-Y185 HydrophobicContact CG-CE1 4.29Å; P120-Y185 HydrophobicContact CG-CG 4.46Å; P155-Y185 HydrophobicContact CB-CD2 4.06Å; P155-Y185 HydrophobicContact CB-CE1 4.3Å; P155-Y185 HydrophobicContact CB-CE2 3.55Å; P155-Y185 HydrophobicContact CG-CD2 4.45Å; P155-Y185 HydrophobicContact CG-CE1 3.74Å; P155-Y185 HydrophobicContact CG-CE2 3.61Å; P155-Y185 WeakPolarHBondContact CG-OH 3.4Å; W181-Y185 PolarHBondContact O-N 2.96Å; L182-Y185 PolarHBondContact O-N 2.63Å; L183-Y185 VanDerWaalsContact C-N 3.33Å; L183-Y185 PolarHBondContact O-N 3.2Å; Y185-Q187 VanDerWaalsContact C-N 3.26Å; Y185-Q187 PolarHBondContact O-N 3.05Å; Y185-S188 PolarHBondContact O-N 3.3Å; Y185-S188 PolarHBondContact O-OG 3.49Å; Y185-D189 HydrophobicContact CE1-CB 4.41Å; Y185-D189 PolarHBondContact O-N 2.84Å; Y185-D189 VanDerWaalsContact O-N 3.14Å; Y185-I193 HydrophobicContact CE1-CD1 4.49Å; Y185-L516 HydrophobicContact CD2-CD1 3.72Å; Y185-L516 HydrophobicContact CE2-CD1 3.76Å
186I96.8Very high96.4Very high0 Ų049.7 Ų49.70%025%0.254CS..Hα-helixtrans-56.9-43178.6-68.9166.8000110.4L20 Y86 P120 L182 L183 S188 D189 L190 I193L20-I186 HydrophobicContact CD2-CD1 3.71Å; Y86-I186 HydrophobicContact CD1-CG2 4.02Å; P120-I186 HydrophobicContact CG-CD1 4.45Å; P120-I186 HydrophobicContact CG-CG1 3.83Å; L182-I186 HydrophobicContact CD1-CD1 4.11Å; L182-I186 HydrophobicContact CG-CD1 4.06Å; L182-I186 WeakPolarHBondContact O-CG1 3.26Å; L182-I186 PolarHBondContact O-N 3.44Å; L183-I186 PolarHBondContact O-N 2.98Å; I186-S188 VanDerWaalsContact C-N 3.32Å; I186-S188 PolarHBondContact O-N 3.2Å; I186-D189 CarbonylContact O-C 3.59Å; I186-D189 PolarHBondContact O-N 2.88Å; I186-L190 HydrophobicContact CG2-CD1 4.05Å; I186-L190 WeakPolarHBondContact O-CA 3Å; I186-L190 VanDerWaalsContact O-CB 3.26Å; I186-L190 WeakPolarHBondContact O-CB 3.24Å; I186-L190 PolarHBondContact O-N 3.01Å; I186-I193 HydrophobicContact CG1-CD1 4.35Å
187Q95.5Very high96.5Very high103 Ų10345.8 Ų45.848%0.48124%0.239SC..Hα-helixtrans-61.4-40.1176.7-167.3173.321.900112.5S60 F61 L183 A184 Y185S60-Q187 PolarHBondContact OG-NE2 2.96Å; F61-Q187 HydrophobicContact CE2-CB 3.88Å; F61-Q187 HydrophobicContact CE2-CG 4.27Å; F61-Q187 HydrophobicContact CZ-CB 3.79Å; F61-Q187 HydrophobicContact CZ-CG 4.05Å; L183-Q187 VanDerWaalsContact O-CB 3.29Å; L183-Q187 WeakPolarHBondContact O-CB 3.23Å; L183-Q187 PolarHBondContact O-N 2.91Å; A184-Q187 PolarHBondContact O-N 3.46Å; Y185-Q187 VanDerWaalsContact C-N 3.26Å; Y185-Q187 PolarHBondContact O-N 3.05Å
188S95.4Very high96.6Very high64 Ų6447.4 Ų47.445%0.44825%0.248SC..Hα-helixtrans-69.2-31.4-178.276.50000113.7A184 Y185 I186A184-S188 WeakPolarHBondContact O-CB 2.92Å; A184-S188 PolarHBondContact O-N 3.25Å; Y185-S188 PolarHBondContact O-N 3.3Å; Y185-S188 PolarHBondContact O-OG 3.49Å; I186-S188 VanDerWaalsContact C-N 3.32Å; I186-S188 PolarHBondContact O-N 3.2Å
189D95.2Very high96.6Very high32 Ų3249.5 Ų49.517%0.17127%0.265CS..THydrogen-bonded Turntrans-118.321.5-177.1-15542.2000113.1Y185 I186 I191 N192 I193 K515Y185-D189 HydrophobicContact CE1-CB 4.41Å; Y185-D189 PolarHBondContact O-N 2.84Å; Y185-D189 VanDerWaalsContact O-N 3.14Å; I186-D189 CarbonylContact O-C 3.59Å; I186-D189 PolarHBondContact O-N 2.88Å; D189-I191 PolarHBondContact O-N 3.43Å; D189-I191 VanDerWaalsContact O-N 3.11Å; D189-N192 PolarHBondContact O-N 3.33Å; D189-N192 PolarHBondContact OD1-ND2 3.24Å; D189-I193 HydrophobicContact CB-CD1 4.21Å; D189-I193 HydrophobicContact CB-CG1 4.44Å; D189-I193 PolarHBondContact O-N 3.2Å; D189-K515 IonicContact OD1-NZ 3.31Å; D189-K515 PolarHBondContact OD1-NZ 3.1Å
190L94.5Very high96.6Very high18 Ų1849.6 Ų49.69%0.09427%0.266CS..Hα-helixtrans-55.9-36.8-170-174.563.8000113.2K16 F61 Y86 I186 Q194K16-L190 HydrophobicContact CD-CD2 3.52Å; F61-L190 HydrophobicContact CE1-CD1 4.49Å; F61-L190 HydrophobicContact CE1-CD2 4.41Å; Y86-L190 HydrophobicContact CD1-CD1 4.12Å; Y86-L190 HydrophobicContact CE1-CD1 3.9Å; I186-L190 HydrophobicContact CG2-CD1 4.05Å; I186-L190 WeakPolarHBondContact O-CA 3Å; I186-L190 VanDerWaalsContact O-CB 3.26Å; I186-L190 WeakPolarHBondContact O-CB 3.24Å; I186-L190 PolarHBondContact O-N 3.01Å; L190-Q194 WeakPolarHBondContact O-CB 3.27Å; L190-Q194 PolarHBondContact O-N 3.42Å
191I95.5Very high96.7Very high144 Ų14446.7 Ų46.774%0.73826%0.257SS*.Hα-helixtrans-63-44.7-179.3-62.5172.2000110.8D189 S195D189-I191 PolarHBondContact O-N 3.43Å; D189-I191 VanDerWaalsContact O-N 3.11Å; I191-S195 WeakPolarHBondContact O-CB 3.32Å; I191-S195 PolarHBondContact O-N 3.27Å; I191-S195 VanDerWaalsContact O-N 3.13Å
192N96.2Very high96.7Very high88 Ų8849 Ų4947%0.47127%0.273SS..Hα-helixtrans-75-42.3-178.1-63.6-48000111D189 R196D189-N192 PolarHBondContact O-N 3.33Å; D189-N192 PolarHBondContact OD1-ND2 3.24Å; N192-R196 WeakPolarHBondContact O-CB 3.38Å; N192-R196 PolarHBondContact O-N 2.85Å; N192-R196 VanDerWaalsContact O-N 3.12Å
193I96.7Very high96.7Very high11 Ų1154.6 Ų54.66%0.05629%0.294CS..Hα-helixtrans-62.9-47.8177.1-63.9172.7000110.2Y86 Y185 I186 D189 R196 V197Y86-I193 HydrophobicContact CD1-CG2 3.55Å; Y86-I193 HydrophobicContact CE1-CG2 4.36Å; Y86-I193 HydrophobicContact CG-CG2 4Å; Y185-I193 HydrophobicContact CE1-CD1 4.49Å; I186-I193 HydrophobicContact CG1-CD1 4.35Å; D189-I193 HydrophobicContact CB-CD1 4.21Å; D189-I193 HydrophobicContact CB-CG1 4.44Å; D189-I193 PolarHBondContact O-N 3.2Å; I193-R196 PolarHBondContact O-N 3.32Å; I193-V197 HydrophobicContact CG2-CG2 4.18Å; I193-V197 WeakPolarHBondContact O-CB 3.18Å; I193-V197 VanDerWaalsContact O-CG2 3.3Å; I193-V197 WeakPolarHBondContact O-CG2 3.46Å; I193-V197 PolarHBondContact O-N 3.19Å
194Q96.5Very high96.7Very high58 Ų5856.4 Ų56.427%0.27130%0.303SS..Hα-helixtrans-58.1-51.9178.2-176.170.860.200111.5Y86 L190 R196 V197 D198Y86-Q194 PolarHBondContact OH-NE2 3.02Å; Y86-Q194 PolarHBondContact OH-OE1 2.87Å; L190-Q194 WeakPolarHBondContact O-CB 3.27Å; L190-Q194 PolarHBondContact O-N 3.42Å; Q194-R196 PolarHBondContact O-N 3.09Å; Q194-V197 PolarHBondContact O-N 3.32Å; Q194-V197 VanDerWaalsContact O-N 3.1Å; Q194-D198 PolarHBondContact NE2-OD1 2.98Å; Q194-D198 PolarHBondContact O-N 3.42Å
195S97.1Very high96.6Very high80 Ų8057.8 Ų57.856%0.55931%0.307SS*.Hα-helixtrans-58.9-34.3-179-179.90000112.3I191 A199I191-S195 WeakPolarHBondContact O-CB 3.32Å; I191-S195 PolarHBondContact O-N 3.27Å; I191-S195 VanDerWaalsContact O-N 3.13Å; S195-A199 PolarHBondContact O-N 2.88Å
196R97.3Very high96.7Very high69 Ų6963.2 Ų63.226%0.2633%0.327SS..Hα-helixtrans-72.6-46.1175.4177.2-178.3168.2-171.83.2111.7P114 C115 S117 N192 I193 Q194 D198 A199 D200P114-R196 PolarHBondContact O-NH2 3.33Å; C115-R196 PolarHBondContact O-NH2 3.38Å; S117-R196 PolarHBondContact O-NH1 3.08Å; S117-R196 PolarHBondContact O-NH2 3.43Å; N192-R196 WeakPolarHBondContact O-CB 3.38Å; N192-R196 PolarHBondContact O-N 2.85Å; N192-R196 VanDerWaalsContact O-N 3.12Å; I193-R196 PolarHBondContact O-N 3.32Å; Q194-R196 PolarHBondContact O-N 3.09Å; R196-D198 VanDerWaalsContact C-N 3.32Å; R196-D198 PolarHBondContact O-N 3.09Å; R196-A199 PolarHBondContact O-N 3.46Å; R196-D200 WeakPolarHBondContact CG-OD2 3.41Å; R196-D200 IonicContact NE-OD2 2.66Å; R196-D200 PolarHBondContact NE-OD2 3.26Å; R196-D200 WeakPolarHBondContact O-CB 3.4Å; R196-D200 PolarHBondContact O-N 2.9Å
197V98Very high96.6Very high5 Ų567.9 Ų67.93%0.0335%0.349CS..Hα-helixtrans-55.8-48.5176.6164.50000110.2E84 V85 Y86 I193 Q194 A199 D200 V201E84-V197 WeakPolarHBondContact O-CG1 3.48Å; V85-V197 WeakPolarHBondContact O-CG2 3.36Å; Y86-V197 HydrophobicContact CD2-CG2 4.32Å; Y86-V197 HydrophobicContact CE2-CG1 4.11Å; Y86-V197 HydrophobicContact CE2-CG2 4.37Å; Y86-V197 HydrophobicContact CG-CG2 4.48Å; I193-V197 HydrophobicContact CG2-CG2 4.18Å; I193-V197 WeakPolarHBondContact O-CB 3.18Å; I193-V197 VanDerWaalsContact O-CG2 3.3Å; I193-V197 WeakPolarHBondContact O-CG2 3.46Å; I193-V197 PolarHBondContact O-N 3.19Å; Q194-V197 PolarHBondContact O-N 3.32Å; Q194-V197 VanDerWaalsContact O-N 3.1Å; V197-A199 VanDerWaalsContact C-N 3.33Å; V197-A199 PolarHBondContact O-N 3.13Å; V197-D200 PolarHBondContact O-N 3.05Å; V197-V201 HydrophobicContact CG1-CG2 4.25Å; V197-V201 WeakPolarHBondContact O-CB 3.2Å; V197-V201 VanDerWaalsContact O-CG2 3.28Å; V197-V201 WeakPolarHBondContact O-CG2 3.33Å; V197-V201 PolarHBondContact O-N 3.37Å
198D97.5Very high96.5Very high78 Ų7865.7 Ų65.742%0.41734%0.338SS..Hα-helixtrans-57.6-46.2178.3-62-18.7000111.2Q194 R196 D200 V201 D202Q194-D198 PolarHBondContact NE2-OD1 2.98Å; Q194-D198 PolarHBondContact O-N 3.42Å; R196-D198 VanDerWaalsContact C-N 3.32Å; R196-D198 PolarHBondContact O-N 3.09Å; D198-D200 PolarHBondContact O-N 3.11Å; D198-V201 PolarHBondContact O-N 3.13Å; D198-D202 WeakPolarHBondContact O-CB 3.45Å; D198-D202 VanDerWaalsContact O-CG 3.32Å; D198-D202 PolarHBondContact O-N 3.45Å
199A97.9Very high96.4Very high44 Ų4465.1 Ų65.136%0.36434%0.338SS..Hα-helixtrans-65.7-37.5178.500000113.4S195 R196 V197 R203S195-A199 PolarHBondContact O-N 2.88Å; R196-A199 PolarHBondContact O-N 3.46Å; V197-A199 VanDerWaalsContact C-N 3.33Å; V197-A199 PolarHBondContact O-N 3.13Å; A199-R203 WeakPolarHBondContact O-CB 3.37Å; A199-R203 PolarHBondContact O-N 3.45Å; A199-R203 VanDerWaalsContact O-N 3.09Å
200D98.1Very high96.4Very high9 Ų970 Ų705%0.04836%0.359CS..Hα-helixtrans-71.2-41178.1-72.1-21.3000111.1A83 R196 V197 D198 R203 Q204A83-D200 HydrophobicContact CB-CB 4.24Å; R196-D200 WeakPolarHBondContact CG-OD2 3.41Å; R196-D200 IonicContact NE-OD2 2.66Å; R196-D200 PolarHBondContact NE-OD2 3.26Å; R196-D200 WeakPolarHBondContact O-CB 3.4Å; R196-D200 PolarHBondContact O-N 2.9Å; V197-D200 PolarHBondContact O-N 3.05Å; D198-D200 PolarHBondContact O-N 3.11Å; D200-R203 WeakPolarHBondContact O-CB 3.47Å; D200-R203 PolarHBondContact O-N 3.03Å; D200-R203 IonicContact OD1-CZ 3.66Å; D200-R203 IonicContact OD1-NE 3.72Å; D200-R203 IonicContact OD1-NH2 2.77Å; D200-R203 PolarHBondContact OD1-NH2 3.01Å; D200-Q204 WeakPolarHBondContact O-CB 3.37Å; D200-Q204 PolarHBondContact O-N 3.05Å
201V97.7Very high96.3Very high45 Ų4575.4 Ų75.427%0.27338%0.384SS..Hα-helixtrans-63.5-45174171.40000111A83 E84 V197 D198 R203 Q204 T205A83-V201 HydrophobicContact CB-CG2 4.13Å; E84-V201 HydrophobicContact CB-CG2 3.76Å; V197-V201 HydrophobicContact CG1-CG2 4.25Å; V197-V201 WeakPolarHBondContact O-CB 3.2Å; V197-V201 VanDerWaalsContact O-CG2 3.28Å; V197-V201 WeakPolarHBondContact O-CG2 3.33Å; V197-V201 PolarHBondContact O-N 3.37Å; D198-V201 PolarHBondContact O-N 3.13Å; V201-R203 VanDerWaalsContact C-N 3.27Å; V201-R203 PolarHBondContact O-N 3Å; V201-Q204 PolarHBondContact O-N 3.02Å; V201-T205 VanDerWaalsContact O-CB 3.26Å; V201-T205 WeakPolarHBondContact O-CB 3.27Å; V201-T205 PolarHBondContact O-N 3.35Å; V201-T205 PolarHBondContact O-OG1 3.03Å
202D97.8Very high96.2Very high99 Ų9976.1 Ų76.153%0.52938%0.378SS..Hα-helixtrans-61.2-36.7176.2-80.3-13000112.2D198 R206D198-D202 WeakPolarHBondContact O-CB 3.45Å; D198-D202 VanDerWaalsContact O-CG 3.32Å; D198-D202 PolarHBondContact O-N 3.45Å; D202-R206 WeakPolarHBondContact O-CG 3.49Å; D202-R206 PolarHBondContact O-N 3.38Å; D202-R206 PolarHBondContact O-NE 2.97Å
203R97.4Very high96.1Very high117 Ų11774.7 Ų74.744%0.44238%0.378SS..Hα-helixtrans-68.2-49.8177-168.6-162.6-33.1-93.4-2.3110.9A199 D200 V201 R206 Q207A199-R203 WeakPolarHBondContact O-CB 3.37Å; A199-R203 PolarHBondContact O-N 3.45Å; A199-R203 VanDerWaalsContact O-N 3.09Å; D200-R203 WeakPolarHBondContact O-CB 3.47Å; D200-R203 PolarHBondContact O-N 3.03Å; D200-R203 IonicContact OD1-CZ 3.66Å; D200-R203 IonicContact OD1-NE 3.72Å; D200-R203 IonicContact OD1-NH2 2.77Å; D200-R203 PolarHBondContact OD1-NH2 3.01Å; V201-R203 VanDerWaalsContact C-N 3.27Å; V201-R203 PolarHBondContact O-N 3Å; R203-R206 PolarHBondContact O-N 2.99Å; R203-Q207 WeakPolarHBondContact O-CG 3.35Å; R203-Q207 PolarHBondContact O-N 3.06Å; R203-Q207 VanDerWaalsContact O-N 3.11Å
204Q96.6Very high96Very high39 Ų3976.7 Ų76.718%0.18240%0.396CS..Hα-helixtrans-64.1-41.9-179.6-168.1-1734500111.2T80 A83 D200 V201 R206 Q207 Q208T80-Q204 PolarHBondContact O-NE2 3.48Å; A83-Q204 HydrophobicContact CB-CB 4.03Å; A83-Q204 HydrophobicContact CB-CG 4.46Å; A83-Q204 VanDerWaalsContact CB-OE1 3.24Å; D200-Q204 WeakPolarHBondContact O-CB 3.37Å; D200-Q204 PolarHBondContact O-N 3.05Å; V201-Q204 PolarHBondContact O-N 3.02Å; Q204-R206 VanDerWaalsContact C-N 3.33Å; Q204-R206 PolarHBondContact O-N 2.87Å; Q204-Q207 PolarHBondContact O-N 2.91Å; Q204-Q208 HydrophobicContact CG-CG 4.42Å; Q204-Q208 WeakPolarHBondContact O-CB 3.36Å; Q204-Q208 WeakPolarHBondContact O-CG 3.43Å; Q204-Q208 PolarHBondContact O-N 3.16Å
205T95.4Very high95.7Very high76 Ų7677.7 Ų77.747%0.46640%0.397SS..Hα-helixtrans-60.4-41.6178-59.70000111.6V201 A209V201-T205 VanDerWaalsContact O-CB 3.26Å; V201-T205 WeakPolarHBondContact O-CB 3.27Å; V201-T205 PolarHBondContact O-N 3.35Å; V201-T205 PolarHBondContact O-OG1 3.03Å; T205-A209 WeakPolarHBondContact O-CB 3.24Å; T205-A209 PolarHBondContact O-N 2.83Å
206R96.7Very high95.4Very high148 Ų14880.9 Ų80.956%0.55840%0.401SS*.Hα-helixtrans-64.2-46.8175.2-78.3178.4-74.8145.1-9.1112.2D202 R203 Q204 Q208 A209 E210D202-R206 WeakPolarHBondContact O-CG 3.49Å; D202-R206 PolarHBondContact O-N 3.38Å; D202-R206 PolarHBondContact O-NE 2.97Å; R203-R206 PolarHBondContact O-N 2.99Å; Q204-R206 VanDerWaalsContact C-N 3.33Å; Q204-R206 PolarHBondContact O-N 2.87Å; R206-Q208 PolarHBondContact O-N 2.82Å; R206-A209 PolarHBondContact O-N 3.48Å; R206-E210 WeakPolarHBondContact O-CG 3.5Å; R206-E210 PolarHBondContact O-N 3.02Å
207Q95.2Very high95.2Very high99 Ų9981.4 Ų81.446%0.46341%0.407SS..Hα-helixtrans-59.8-47.5177.3-71.7172.8-31.600111.5R203 Q204 A209 E210 E211R203-Q207 WeakPolarHBondContact O-CG 3.35Å; R203-Q207 PolarHBondContact O-N 3.06Å; R203-Q207 VanDerWaalsContact O-N 3.11Å; Q204-Q207 PolarHBondContact O-N 2.91Å; Q207-A209 VanDerWaalsContact C-N 3.31Å; Q207-A209 PolarHBondContact O-N 2.79Å; Q207-E210 PolarHBondContact O-N 3.48Å; Q207-E211 WeakPolarHBondContact O-CG 3.49Å; Q207-E211 PolarHBondContact O-N 2.88Å
208Q92.9Very high94.9Very high56 Ų5688.2 Ų88.226%0.26243%0.432SS..Hα-helixtrans-63-36.7176.6-71.2179.53.200112.2Q204 R206 R212Q204-Q208 HydrophobicContact CG-CG 4.42Å; Q204-Q208 WeakPolarHBondContact O-CB 3.36Å; Q204-Q208 WeakPolarHBondContact O-CG 3.43Å; Q204-Q208 PolarHBondContact O-N 3.16Å; R206-Q208 PolarHBondContact O-N 2.82Å; Q208-R212 VanDerWaalsContact O-CB 3.25Å; Q208-R212 WeakPolarHBondContact O-CB 3.44Å; Q208-R212 WeakPolarHBondContact O-CD 3.29Å; Q208-R212 WeakPolarHBondContact O-CG 3.42Å; Q208-R212 PolarHBondContact O-N 2.83Å
209A94Very high94.6Very high53 Ų5387 Ų8744%0.43843%0.427SS..Hα-helixtrans-65.7-41.417600000112.1T205 R206 Q207 R212 A213T205-A209 WeakPolarHBondContact O-CB 3.24Å; T205-A209 PolarHBondContact O-N 2.83Å; R206-A209 PolarHBondContact O-N 3.48Å; Q207-A209 VanDerWaalsContact C-N 3.31Å; Q207-A209 PolarHBondContact O-N 2.79Å; A209-R212 PolarHBondContact O-N 3.33Å; A209-A213 WeakPolarHBondContact O-CB 3.42Å; A209-A213 PolarHBondContact O-N 2.83Å
210E95.4Very high94.4Very high134 Ų13490 Ų9063%0.62643%0.429SS*.Hα-helixtrans-63.9-46.9175.2-71.7170.1-170.300111.5R206 Q207 R212 A213 A214R206-E210 WeakPolarHBondContact O-CG 3.5Å; R206-E210 PolarHBondContact O-N 3.02Å; Q207-E210 PolarHBondContact O-N 3.48Å; E210-R212 PolarHBondContact O-N 2.9Å; E210-A213 PolarHBondContact O-N 3.46Å; E210-A214 WeakPolarHBondContact O-CB 3.41Å; E210-A214 PolarHBondContact O-N 2.66Å
211E93Very high94.2Very high131 Ų13193.6 Ų93.661%0.61245%0.448SS*.Hα-helixtrans-61.5-42.6176-73.8175.3-177.900112.1Q207 A214 R215Q207-E211 WeakPolarHBondContact O-CG 3.49Å; Q207-E211 PolarHBondContact O-N 2.88Å; E211-A214 PolarHBondContact O-N 3.5Å; E211-R215 VanDerWaalsContact O-CB 3.29Å; E211-R215 WeakPolarHBondContact O-CB 3.28Å; E211-R215 PolarHBondContact O-N 2.69Å
212R92Very high93.9Very high160 Ų16094.5 Ų94.560%0.60446%0.46SS*.Hα-helixtrans-62.6-43.3174.9-74.6169.1-168.9177.18111.3Q208 A209 E210 R215 K216Q208-R212 VanDerWaalsContact O-CB 3.25Å; Q208-R212 WeakPolarHBondContact O-CB 3.44Å; Q208-R212 WeakPolarHBondContact O-CD 3.29Å; Q208-R212 WeakPolarHBondContact O-CG 3.42Å; Q208-R212 PolarHBondContact O-N 2.83Å; A209-R212 PolarHBondContact O-N 3.33Å; E210-R212 PolarHBondContact O-N 2.9Å; R212-R215 PolarHBondContact O-N 2.88Å; R212-K216 WeakPolarHBondContact O-CG 3.23Å; R212-K216 PolarHBondContact O-N 3.48Å
213A95Very high93.6Very high58 Ų5897 Ų9748%0.47946%0.462SS..Hα-helixtrans-63.4-46.5176.400000111.5A209 E210 R215 K216 E217A209-A213 WeakPolarHBondContact O-CB 3.42Å; A209-A213 PolarHBondContact O-N 2.83Å; E210-A213 PolarHBondContact O-N 3.46Å; A213-R215 VanDerWaalsContact C-N 3.29Å; A213-R215 PolarHBondContact O-N 3Å; A213-K216 PolarHBondContact O-N 3.49Å; A213-E217 PolarHBondContact O-N 3.33Å
214A94.8Very high93.4Very high52 Ų5294.8 Ų94.843%0.4346%0.457SS..Hα-helixtrans-62.7-35.9176.100000112.2E210 E211 R218E210-A214 WeakPolarHBondContact O-CB 3.41Å; E210-A214 PolarHBondContact O-N 2.66Å; E211-A214 PolarHBondContact O-N 3.5Å; A214-R218 WeakPolarHBondContact O-CG 3.34Å; A214-R218 PolarHBondContact O-N 2.92Å
215R89.4Confident93Very high79 Ų7997.3 Ų97.330%0.29847%0.468SS..Hα-helixtrans-68.7-45.2175.2-174.559.6175.3170.5-1.1111.6E211 R212 A213 E217 R218 V219E211-R215 VanDerWaalsContact O-CB 3.29Å; E211-R215 WeakPolarHBondContact O-CB 3.28Å; E211-R215 PolarHBondContact O-N 2.69Å; R212-R215 PolarHBondContact O-N 2.88Å; A213-R215 VanDerWaalsContact C-N 3.29Å; A213-R215 PolarHBondContact O-N 3Å; R215-E217 VanDerWaalsContact C-N 3.28Å; R215-E217 PolarHBondContact O-N 3.12Å; R215-R218 PolarHBondContact O-N 3.44Å; R215-V219 WeakPolarHBondContact O-CG2 3.28Å; R215-V219 PolarHBondContact O-N 2.82Å
216K90.7Very high92.7Very high148 Ų148103.5 Ų103.564%0.64348%0.483SS*.Hα-helixtrans-57.2-43175-75.4-179-179.5-1670111.2R212 A213 V219 R220R212-K216 WeakPolarHBondContact O-CG 3.23Å; R212-K216 PolarHBondContact O-N 3.48Å; A213-K216 PolarHBondContact O-N 3.49Å; K216-V219 PolarHBondContact O-N 3.33Å; K216-R220 PolarHBondContact O-N 3.41Å
217E94.1Very high92.4Very high80 Ų80100.2 Ų100.237%0.37447%0.474SS..Hα-helixtrans-66.7-42.3178.3-177.159.6-173.100112.7A213 R215 V219 R220 L221A213-E217 PolarHBondContact O-N 3.33Å; R215-E217 VanDerWaalsContact C-N 3.28Å; R215-E217 PolarHBondContact O-N 3.12Å; E217-V219 VanDerWaalsContact C-N 3.31Å; E217-V219 PolarHBondContact O-N 2.88Å; E217-R220 WeakPolarHBondContact O-CB 3.48Å; E217-R220 PolarHBondContact O-N 3.08Å; E217-R220 IonicContact OE1-CZ 2.7Å; E217-R220 IonicContact OE1-NE 2.79Å; E217-R220 PolarHBondContact OE1-NE 3.3Å; E217-R220 IonicContact OE1-NH2 2.76Å; E217-R220 PolarHBondContact OE1-NH2 3.29Å; E217-R220 IonicContact OE2-CZ 2.69Å; E217-R220 IonicContact OE2-NE 3.5Å; E217-R220 PolarHBondContact OE2-NE 3Å; E217-R220 IonicContact OE2-NH2 3.18Å; E217-L221 HydrophobicContact CG-CD1 4.25Å; E217-L221 WeakPolarHBondContact O-CG 3.29Å; E217-L221 PolarHBondContact O-N 2.91Å
218R91.4Very high92.2Very high147 Ų147102.6 Ų102.656%0.55548%0.479SS*.Hα-helixtrans-58.4-42.9173.5-77.9-174.7-71.7164.6-7112.2A214 R215 A222A214-R218 WeakPolarHBondContact O-CG 3.34Å; A214-R218 PolarHBondContact O-N 2.92Å; R215-R218 PolarHBondContact O-N 3.44Å; R218-A222 VanDerWaalsContact O-CB 3.32Å; R218-A222 WeakPolarHBondContact O-CB 3.4Å; R218-A222 PolarHBondContact O-N 3.07Å
219V91.7Very high91.9Very high53 Ų53104.3 Ų104.332%0.32149%0.49SS..Hα-helixtrans-65.9-41.5177.1173.30000110.9R215 K216 E217 A222 R223R215-V219 WeakPolarHBondContact O-CG2 3.28Å; R215-V219 PolarHBondContact O-N 2.82Å; K216-V219 PolarHBondContact O-N 3.33Å; E217-V219 VanDerWaalsContact C-N 3.31Å; E217-V219 PolarHBondContact O-N 2.88Å; V219-A222 PolarHBondContact O-N 3.44Å; V219-R223 WeakPolarHBondContact O-CB 3.41Å; V219-R223 PolarHBondContact O-N 3.47Å
220R93.4Very high91.6Very high106 Ų106103.3 Ų103.340%0.449%0.485SS..Hα-helixtrans-58.6-51.7175.6-171.9-172.172.582.42.1111.5K216 E217 A222 R223 E224K216-R220 PolarHBondContact O-N 3.41Å; E217-R220 WeakPolarHBondContact O-CB 3.48Å; E217-R220 PolarHBondContact O-N 3.08Å; E217-R220 IonicContact OE1-CZ 2.7Å; E217-R220 IonicContact OE1-NE 2.79Å; E217-R220 PolarHBondContact OE1-NE 3.3Å; E217-R220 IonicContact OE1-NH2 2.76Å; E217-R220 PolarHBondContact OE1-NH2 3.29Å; E217-R220 IonicContact OE2-CZ 2.69Å; E217-R220 IonicContact OE2-NE 3.5Å; E217-R220 PolarHBondContact OE2-NE 3Å; E217-R220 IonicContact OE2-NH2 3.18Å; R220-A222 PolarHBondContact O-N 3.07Å; R220-R223 PolarHBondContact O-N 2.97Å; R220-E224 IonicContact CZ-OE1 3.6Å; R220-E224 IonicContact CZ-OE2 3.43Å; R220-E224 IonicContact NH1-OE1 3.09Å; R220-E224 PolarHBondContact NH1-OE1 3.5Å; R220-E224 IonicContact NH1-OE2 3.31Å; R220-E224 PolarHBondContact NH1-OE2 3.22Å; R220-E224 WeakPolarHBondContact O-CG 3.14Å; R220-E224 PolarHBondContact O-N 3.48Å
221L94.4Very high91.2Very high86 Ų86104.7 Ų104.745%0.4548%0.484SS..Hα-helixtrans-62.6-42.9179.7-68.8173.2000112.1E217 R223 E224 E225E217-L221 HydrophobicContact CG-CD1 4.25Å; E217-L221 WeakPolarHBondContact O-CG 3.29Å; E217-L221 PolarHBondContact O-N 2.91Å; L221-R223 VanDerWaalsContact C-N 3.31Å; L221-R223 PolarHBondContact O-N 3.02Å; L221-E224 PolarHBondContact O-N 2.86Å; L221-E225 WeakPolarHBondContact O-CB 3.26Å; L221-E225 PolarHBondContact O-N 3.44Å
222A90.7Very high90.8Very high64 Ų64102.5 Ų102.553%0.52948%0.476SS..Hα-helixtrans-63-37.4177.200000112.4R218 V219 R220 R226R218-A222 VanDerWaalsContact O-CB 3.32Å; R218-A222 WeakPolarHBondContact O-CB 3.4Å; R218-A222 PolarHBondContact O-N 3.07Å; V219-A222 PolarHBondContact O-N 3.44Å; R220-A222 PolarHBondContact O-N 3.07Å; A222-R226 WeakPolarHBondContact O-CB 3.43Å; A222-R226 PolarHBondContact O-N 3.47Å
223R91.1Very high90.1Very high151 Ų15198.8 Ų98.857%0.5747%0.474SS*.Hα-helixtrans-67.8-46174.8-178.6178.2173.3172.22.7111.8V219 R220 L221 E225 R226 E227V219-R223 WeakPolarHBondContact O-CB 3.41Å; V219-R223 PolarHBondContact O-N 3.47Å; R220-R223 PolarHBondContact O-N 2.97Å; L221-R223 VanDerWaalsContact C-N 3.31Å; L221-R223 PolarHBondContact O-N 3.02Å; R223-E225 VanDerWaalsContact C-N 3.27Å; R223-E225 PolarHBondContact O-N 3.41Å; R223-R226 PolarHBondContact O-N 3.36Å; R223-E227 IonicContact CZ-OE1 3.44Å; R223-E227 IonicContact NE-OE1 3.61Å; R223-E227 PolarHBondContact NE-OE1 2.95Å; R223-E227 IonicContact NH2-OE1 3.19Å; R223-E227 WeakPolarHBondContact O-CG 3.18Å; R223-E227 PolarHBondContact O-N 3.42Å
224E93.3Very high88.9Confident70 Ų70101 Ų10133%0.32748%0.477SS..Hα-helixtrans-59.7-39.9177.3-75.7176.9-177.500111.8R220 L221 E227 R228R220-E224 IonicContact CZ-OE1 3.6Å; R220-E224 IonicContact CZ-OE2 3.43Å; R220-E224 IonicContact NH1-OE1 3.09Å; R220-E224 PolarHBondContact NH1-OE1 3.5Å; R220-E224 IonicContact NH1-OE2 3.31Å; R220-E224 PolarHBondContact NH1-OE2 3.22Å; R220-E224 WeakPolarHBondContact O-CG 3.14Å; R220-E224 PolarHBondContact O-N 3.48Å; L221-E224 PolarHBondContact O-N 2.86Å; E224-E227 PolarHBondContact O-N 2.85Å; E224-R228 VanDerWaalsContact O-CG 3.3Å; E224-R228 WeakPolarHBondContact O-CG 3.43Å; E224-R228 PolarHBondContact O-N 2.82Å
225E89.5Confident87.3Confident92 Ų92104 Ų10443%0.4348%0.482SS..Hα-helixtrans-66.8-43.9176.4-170.857.3-158.200112L221 R223 E227 R228 L229L221-E225 WeakPolarHBondContact O-CB 3.26Å; L221-E225 PolarHBondContact O-N 3.44Å; R223-E225 VanDerWaalsContact C-N 3.27Å; R223-E225 PolarHBondContact O-N 3.41Å; E225-E227 VanDerWaalsContact C-N 3.3Å; E225-E227 PolarHBondContact O-N 3.26Å; E225-R228 WeakPolarHBondContact O-CB 3.43Å; E225-R228 PolarHBondContact O-N 3.37Å; E225-R228 VanDerWaalsContact O-N 3.17Å; E225-L229 HydrophobicContact CG-CD1 4.32Å; E225-L229 WeakPolarHBondContact O-CG 3.48Å; E225-L229 PolarHBondContact O-N 2.91Å
226R88.4Confident85.7Confident206 Ų206106.6 Ų106.678%0.77750%0.498SS*.Hα-helixtrans-59.9-40.6174.6-172.2177.6-177.8179.21.4112A222 R223 G230A222-R226 WeakPolarHBondContact O-CB 3.43Å; A222-R226 PolarHBondContact O-N 3.47Å; R223-R226 PolarHBondContact O-N 3.36Å; R226-G230 PolarHBondContact O-N 2.9Å
227E89Confident83.7Confident80 Ų80103.5 Ų103.537%0.37450%0.495SS..Hα-helixtrans-67.5-38.3176.1-72.6179.7-16500112R223 E224 E225 G230 R231R223-E227 IonicContact CZ-OE1 3.44Å; R223-E227 IonicContact NE-OE1 3.61Å; R223-E227 PolarHBondContact NE-OE1 2.95Å; R223-E227 IonicContact NH2-OE1 3.19Å; R223-E227 WeakPolarHBondContact O-CG 3.18Å; R223-E227 PolarHBondContact O-N 3.42Å; E224-E227 PolarHBondContact O-N 2.85Å; E225-E227 VanDerWaalsContact C-N 3.3Å; E225-E227 PolarHBondContact O-N 3.26Å; E227-G230 PolarHBondContact O-N 3.32Å; E227-R231 WeakPolarHBondContact O-CG 3.46Å; E227-R231 PolarHBondContact O-N 2.7Å
228R91.5Very high81.7Confident148 Ų148105.4 Ų105.456%0.55851%0.508SS*.Hα-helixtrans-64-49174.4-76.9174.3-179.1-177.21.5112.1E224 E225 G230 R231 L232E224-R228 VanDerWaalsContact O-CG 3.3Å; E224-R228 WeakPolarHBondContact O-CG 3.43Å; E224-R228 PolarHBondContact O-N 2.82Å; E225-R228 WeakPolarHBondContact O-CB 3.43Å; E225-R228 PolarHBondContact O-N 3.37Å; E225-R228 VanDerWaalsContact O-N 3.17Å; R228-G230 VanDerWaalsContact C-N 3.31Å; R228-G230 PolarHBondContact O-N 2.76Å; R228-R231 PolarHBondContact O-N 3.43Å; R228-L232 WeakPolarHBondContact O-CG 3.5Å; R228-L232 PolarHBondContact O-N 3.31Å
229L87.7Confident79.8Confident93 Ų93104.6 Ų104.649%0.48751%0.514SS..Hα-helixtrans-60.3-42.1176.4-69.9172.7000111.2E225 R231 L232 C233E225-L229 HydrophobicContact CG-CD1 4.32Å; E225-L229 WeakPolarHBondContact O-CG 3.48Å; E225-L229 PolarHBondContact O-N 2.91Å; L229-R231 VanDerWaalsContact C-N 3.35Å; L229-R231 PolarHBondContact O-N 2.93Å; L229-L232 PolarHBondContact O-N 2.84Å; L229-C233 PolarHBondContact O-N 3.1Å; L229-C233 PolarHBondContact O-SG 3.3Å
230G87.6Confident77.6Confident32 Ų32107.6 Ų107.633%0.3353%0.533SS..Hα-helixtrans-59.5-40.6174.300000113.5R226 E227 R228 N234R226-G230 PolarHBondContact O-N 2.9Å; E227-G230 PolarHBondContact O-N 3.32Å; R228-G230 VanDerWaalsContact C-N 3.31Å; R228-G230 PolarHBondContact O-N 2.76Å; G230-N234 VanDerWaalsContact O-CG 3.3Å; G230-N234 PolarHBondContact O-N 2.62Å; G230-N234 PolarHBondContact O-ND2 3.3Å
231R86.5Confident75Confident163 Ų163111.5 Ų111.562%0.61555%0.553SS**Hα-helixtrans-67.4-40.1175.1-70.6175.7-166.2177.67.3112.4E227 R228 L229 N234 Q235E227-R231 WeakPolarHBondContact O-CG 3.46Å; E227-R231 PolarHBondContact O-N 2.7Å; R228-R231 PolarHBondContact O-N 3.43Å; L229-R231 VanDerWaalsContact C-N 3.35Å; L229-R231 PolarHBondContact O-N 2.93Å; R231-N234 PolarHBondContact O-N 2.77Å; R231-Q235 WeakPolarHBondContact O-CG 3.41Å; R231-Q235 PolarHBondContact O-N 3.13Å
232L83.9Confident72.2Confident85 Ų85113.3 Ų113.345%0.44557%0.568SS.*Hα-helixtrans-64.5-41.9177.7-73.2169.6000111.6R228 L229 N234 Q235 H236R228-L232 WeakPolarHBondContact O-CG 3.5Å; R228-L232 PolarHBondContact O-N 3.31Å; L229-L232 PolarHBondContact O-N 2.84Å; L232-N234 PolarHBondContact O-N 2.88Å; L232-Q235 PolarHBondContact O-N 2.77Å; L232-H236 PolarHBondContact O-N 3.36Å; L232-H236 VanDerWaalsContact O-N 3.12Å; L232-H236 PolarHBondContact O-ND1 2.79Å
233C78Confident69.6Low82 Ų82114 Ų11455%0.55458%0.581SS**Hα-helixtrans-60.1-43.9173.3-70.90000111.9L229 Q235 H236 S237L229-C233 PolarHBondContact O-N 3.1Å; L229-C233 PolarHBondContact O-SG 3.3Å; C233-Q235 PolarHBondContact O-N 3.37Å; C233-H236 PolarHBondContact O-N 2.9Å; C233-S237 PolarHBondContact O-N 3.47Å; C233-S237 VanDerWaalsContact O-N 3.1Å; C233-S237 PolarHBondContact O-OG 2.9Å
234N70.9Confident66.9Low104 Ų104114.2 Ų114.256%0.55659%0.594SS**Hα-helixtrans-66.7-33.4178.5-69.2-15.8000113.2G230 R231 L232 S237 N238G230-N234 VanDerWaalsContact O-CG 3.3Å; G230-N234 PolarHBondContact O-N 2.62Å; G230-N234 PolarHBondContact O-ND2 3.3Å; R231-N234 PolarHBondContact O-N 2.77Å; L232-N234 PolarHBondContact O-N 2.88Å; N234-S237 PolarHBondContact O-N 3.25Å; N234-N238 PolarHBondContact O-N 3.04Å; N234-N238 VanDerWaalsContact O-N 3.09Å; N234-N238 PolarHBondContact O-ND2 3.31Å
235Q60.4Low64.2Low114 Ų114118.5 Ų118.553%0.53362%0.617SS.*Hα-helixtrans-69.6-36.6175.2-75.3178.3-4.500112.3R231 L232 C233 S237 N238 N239R231-Q235 WeakPolarHBondContact O-CG 3.41Å; R231-Q235 PolarHBondContact O-N 3.13Å; L232-Q235 PolarHBondContact O-N 2.77Å; C233-Q235 PolarHBondContact O-N 3.37Å; Q235-S237 VanDerWaalsContact C-N 3.35Å; Q235-N238 PolarHBondContact O-N 3Å; Q235-N239 WeakPolarHBondContact O-CB 3.37Å; Q235-N239 PolarHBondContact O-N 2.8Å
236H55.5Low61.8Low135 Ų135121.4 Ų121.463%0.62564%0.635SS**Hα-helixtrans-66.9-37.1173.8-73.878.4000111.3L232 C233 N238 T240L232-H236 PolarHBondContact O-N 3.36Å; L232-H236 VanDerWaalsContact O-N 3.12Å; L232-H236 PolarHBondContact O-ND1 2.79Å; C233-H236 PolarHBondContact O-N 2.9Å; H236-N238 PolarHBondContact O-N 3.23Å; H236-T240 PolarHBondContact O-N 3.25Å; H236-T240 PolarHBondContact O-OG1 2.91Å
237S49.8Very low59.3Low83 Ų83119.3 Ų119.358%0.5864%0.639SS**Hα-helixtrans-66.4-34.1173.3-61.70000113.6C233 N234 Q235C233-S237 PolarHBondContact O-N 3.47Å; C233-S237 VanDerWaalsContact O-N 3.1Å; C233-S237 PolarHBondContact O-OG 2.9Å; N234-S237 PolarHBondContact O-N 3.25Å; Q235-S237 VanDerWaalsContact C-N 3.35Å
238N51.2Low56.9Low120 Ų120122.2 Ų122.264%0.64266%0.657SS**Hα-helixtrans-82.1-24.5-179.5-71-19.1000114.1N234 Q235 H236N234-N238 PolarHBondContact O-N 3.04Å; N234-N238 VanDerWaalsContact O-N 3.09Å; N234-N238 PolarHBondContact O-ND2 3.31Å; Q235-N238 PolarHBondContact O-N 3Å; H236-N238 PolarHBondContact O-N 3.23Å
239N50.6Low54.4Low130 Ų130122.6 Ų122.670%0.69567%0.669SS**Hα-helixtrans-88.7-6.8176.6-76.1-6.3000113.8Q235 F241Q235-N239 WeakPolarHBondContact O-CB 3.37Å; Q235-N239 PolarHBondContact O-N 2.8Å; N239-F241 VanDerWaalsContact C-N 3.27Å
240T45.9Very low51.8Low116 Ų116122 Ų12271%0.71269%0.685SS**THydrogen-bonded Turntrans-91.214.8175.8-420000112.2H236H236-T240 PolarHBondContact O-N 3.25Å; H236-T240 PolarHBondContact O-OG1 2.91Å
241F38.5Very low49.3Very low188 Ų188128.4 Ų128.483%0.82571%0.707SS**SBendtrans-134.241-177.2-134.3-91000112.8N239N239-F241 VanDerWaalsContact C-N 3.27Å
242T36.5Very low47.3Very low123 Ų123125 Ų12576%0.75570%0.701SS**SBendtrans-153.4116.1167.251.70000109.8
243G36.8Very low45.1Very low79 Ų79125.5 Ų125.581%0.81471%0.709SS**  trans12996.6160.300000114.8
244D32.6Very low43.2Very low156 Ų156127 Ų12783%0.83471%0.712SS**  trans-48.4164.6159.9-58.2-65.1000113
245I37.3Very low41.9Very low159 Ų159127.6 Ų127.682%0.81571%0.711SS**  trans98.789175.2-46.3158.4000113.9
246L40Very low40.9Very low153 Ų153126.2 Ų126.280%0.80171%0.707SS**  -175.396.8114-121.4106000109.1
247D35.2Very low40.2Very low163 Ų163125 Ų12587%0.87270%0.704SS**  trans-72.3147.2150.8-76.5-44.1000107.7
248D37.7Very low39.7Very low140 Ų140126.4 Ų126.475%0.74970%0.704SS**  trans102.7133.2172.6-148.715.2000115.6
249L39.9Very low39.2Very low156 Ų156126.7 Ų126.782%0.81770%0.702SS**  trans83.793-175.5-47-177.5000115.7E251L249-E251 PolarHBondContact O-N 3.3Å
250G32.1Very low38.6Very low80 Ų80128.2 Ų128.283%0.82571%0.705SS**  trans-65.2120.6168.400000111.5
251E36.7Very low38Very low168 Ų168128.5 Ų128.579%0.78570%0.701SS**  trans-153.4146.8157.6-106.8169.6-159.700107.7L249L249-E251 PolarHBondContact O-N 3.3Å
252N43Very low37.8Very low91 Ų91124 Ų12449%0.48769%0.69SS.*  trans-61.5125.9-160.7-153.9-24.9000112N254 E255N252-N254 PolarHBondContact O-N 3.33Å; N252-E255 PolarHBondContact O-N 2.67Å; N252-E255 VanDerWaalsContact O-N 3.13Å
253P38.5Very low37.6Very low95 Ų95123.9 Ų123.962%0.61769%0.688SS**Hα-helixtrans-61.6-10.4-177-21.431.1000115I257P253-I257 WeakPolarHBondContact O-CD1 3.28Å
254N38.8Very low37.3Very low113 Ų113129.6 Ų129.660%0.60469%0.691SS**Hα-helixtrans-92.9-5.8-178.6-65-46000114.2N252 N258N252-N254 PolarHBondContact O-N 3.33Å; N254-N258 PolarHBondContact O-ND2 2.87Å
255E43.1Very low37.2Very low117 Ų117126.5 Ų126.555%0.54768%0.677SS.*Hα-helixtrans-97.2-29.5178.9-98.1173.714300113.7N252 N258 Q259N252-E255 PolarHBondContact O-N 2.67Å; N252-E255 VanDerWaalsContact O-N 3.13Å; E255-N258 PolarHBondContact O-N 3.46Å; E255-Q259 WeakPolarHBondContact O-CG 3.29Å; E255-Q259 PolarHBondContact O-N 2.91Å
256I39.7Very low36.8Very low86 Ų86126.1 Ų126.144%0.44168%0.677SS.*Hα-helixtrans-80.1-29.2-177.9-60.9174.8000111.7N258 Q259 Q260I256-N258 PolarHBondContact O-N 3.31Å; I256-Q259 PolarHBondContact O-N 3.13Å; I256-Q260 PolarHBondContact O-N 3.37Å
257I39.3Very low36.3Very low109 Ų109126.3 Ų126.356%0.55968%0.679SS**Hα-helixtrans-67.3-29173.9-62.3174.3000110.7P253 L261P253-I257 WeakPolarHBondContact O-CD1 3.28Å; I257-L261 HydrophobicContact CG2-CD1 4.37Å; I257-L261 WeakPolarHBondContact O-CD1 3.49Å
258N39.8Very low36.1Very low112 Ų112123.6 Ų123.660%0.59967%0.669SS**Hα-helixtrans-89-10.1178.8-71.9-42.3000114.1N254 E255 I256 T262N254-N258 PolarHBondContact O-ND2 2.87Å; E255-N258 PolarHBondContact O-N 3.46Å; I256-N258 PolarHBondContact O-N 3.31Å; N258-T262 VanDerWaalsContact O-CG2 3.26Å; N258-T262 WeakPolarHBondContact O-CG2 3.24Å
259Q40.1Very low35.6Very low127 Ų127122.9 Ų122.959%0.59367%0.673SS**Hα-helixtrans-104.2-26.2179.7-70.3179.710.400113.4E255 I256 L261 T262E255-Q259 WeakPolarHBondContact O-CG 3.29Å; E255-Q259 PolarHBondContact O-N 2.91Å; I256-Q259 PolarHBondContact O-N 3.13Å; Q259-L261 VanDerWaalsContact C-N 3.33Å; Q259-T262 PolarHBondContact O-N 3.49Å; Q259-T262 PolarHBondContact O-OG1 3.04Å
260Q38.3Very low35.1Very low162 Ų162120.8 Ų120.876%0.75767%0.667SS**THydrogen-bonded Turntrans-82.2-9.8173.1-72.2179.320.300114.2I256I256-Q260 PolarHBondContact O-N 3.37Å
261L34.2Very low34.9Very low121 Ų121124.5 Ų124.563%0.63467%0.666SS**THydrogen-bonded Turntrans-88.51.9171-93.3142000113.7I257 Q259I257-L261 HydrophobicContact CG2-CD1 4.37Å; I257-L261 WeakPolarHBondContact O-CD1 3.49Å; Q259-L261 VanDerWaalsContact C-N 3.33Å
262T33Very low34.6Very low94 Ų94120.3 Ų120.358%0.57766%0.656SS**SBendtrans-101.27.5-174.959.40000115.1N258 Q259N258-T262 VanDerWaalsContact O-CG2 3.26Å; N258-T262 WeakPolarHBondContact O-CG2 3.24Å; Q259-T262 PolarHBondContact O-N 3.49Å; Q259-T262 PolarHBondContact O-OG1 3.04Å
263V32.5Very low33.9Very low120 Ų120123.7 Ų123.773%0.72767%0.673SS**SBendtrans-132.968.5177-171.30000109.2
264K31.4Very low33.5Very low200 Ų200126.9 Ų126.987%0.8768%0.684SS**SBendtrans161.955.6162.5-91.3166.1-174.6-178.60110.1
265T29.4Very low32.9Very low90 Ų90131.7 Ų131.755%0.55270%0.7SS**  trans-131.549.517445.50000110.6
266D30.2Very low32.4Very low151 Ų151134 Ų13481%0.80771%0.71SS**SBendtrans-91.9110.6150.3-64.1-35.7000105.7
267N30.2Very low32Very low157 Ų157136.6 Ų136.684%0.8473%0.725SS**SBendtrans85.365.5174.2-44.2-39.3000118.1
268T30.9Very low31.6Very low107 Ų107139.4 Ų139.466%0.65674%0.741SS**  trans-146.4119.5151.8340000111.6T270T268-T270 PolarHBondContact O-N 2.88Å; T268-T270 VanDerWaalsContact O-N 3.13Å
269C26Very low31.1Very low124 Ų124142.2 Ų142.284%0.83876%0.756SS**  trans-66.4101.9173.2-135.70000109I271C269-I271 PolarHBondContact O-N 3.48Å
270T29.6Very low30.5Very low112 Ų112141.7 Ų141.769%0.68777%0.765SS**  trans-90.591.3166.7-39.60000107.8T268 S272T268-T270 PolarHBondContact O-N 2.88Å; T268-T270 VanDerWaalsContact O-N 3.13Å; T270-S272 WeakPolarHBondContact CG2-OG 3.49Å; T270-S272 PolarHBondContact O-N 2.6Å
271I27.4Very low30Very low159 Ų159138.3 Ų138.382%0.81576%0.759SS**  trans-73.487.9164.5-61.7178.7000106.4C269C269-I271 PolarHBondContact O-N 3.48Å
272S30.3Very low29.9Very low80 Ų80140.2 Ų140.256%0.55977%0.769SS**  trans-108.2111.6167.2-670000108.1T270 I274T270-S272 WeakPolarHBondContact CG2-OG 3.49Å; T270-S272 PolarHBondContact O-N 2.6Å; S272-I274 PolarHBondContact O-N 3.33Å
273N28.7Very low29.6Very low161 Ų161141.2 Ų141.286%0.86178%0.78SS**  trans25.790.2149.5-61.5-18000117.3
274I30Very low29.7Very low163 Ų163141.4 Ų141.484%0.83678%0.784SS**  trans-129.778.2154.7-56178.3000106.8S272S272-I274 PolarHBondContact O-N 3.33Å
275F26.4Very low29.5Very low213 Ų213139.8 Ų139.893%0.93478%0.777SS**  trans-100.590.3162.3-125.7-86.1000105.2
276E34Very low29.4Very low166 Ų166144.8 Ų144.878%0.77679%0.787SS**  trans-156.6105.9167.6-112.8172.2-151.900109.2
277N30.3Very low29.4Very low141 Ų141146.6 Ų146.675%0.75479%0.791SS**  trans39109.1137.4-55.9-37.3000117.1
278N31.5Very low29.3Very low167 Ų167147.8 Ų147.889%0.89379%0.792SS**  -168.899.7125.8-91-40.1000111.4
279L29Very low29.4Very low172 Ų172147.6 Ų147.690%0.90180%0.795SS**  trans-64.7119.4149.7-76.7147.9000108.5
280C28.4Very low29.5Very low116 Ų116147.1 Ų147.178%0.78479%0.788SS**  trans178.6121.1135.1-1010000111.6
281S27Very low29.6Very low91 Ų91149.3 Ų149.364%0.63680%0.795SS**  48.5123.4119.6-32.20000119.8
282D31.7Very low29.6Very low160 Ų160148.7 Ų148.786%0.85679%0.793SS**  trans123.4108.4137.1-60.3-25.9000115.6
283S27.7Very low29.7Very low115 Ų115150.7 Ų150.780%0.80480%0.804SS**  trans-73.9156.3155.6-550000109.2
284P33Very low29.6Very low125 Ų125150 Ų15081%0.81280%0.796SS**  -154167.183.936.1-14.3000117.8
285K27.1Very low29.6Very low166 Ų166151 Ų15172%0.72280%0.801SS**  trans-31.5146165-54171178.9-178.40117.7
286Y27.4Very low29.6Very low195 Ų195146.5 Ų146.577%0.76579%0.787SS**  160.3148.6101-99.5-73.8000114.1
287E31.5Very low29.4Very low189 Ų189147.2 Ų147.288%0.88379%0.791SS**  trans99.5131.6143.5-81.8173.4-158.900122.5
288E26.9Very low29.3Very low182 Ų182145.9 Ų145.985%0.8579%0.791SS**  trans-114.4143.4-167.8173.3-177.7-160.200108
289S32.6Very low29.1Very low103 Ų103144.4 Ų144.472%0.7278%0.783SS**  trans-178.2115.1145.929.90000114.4
290T28.3Very low29Very low113 Ų113143.2 Ų143.269%0.69378%0.778SS**  56.2119.2128.964.60000121.4
291N32.7Very low29.2Very low158 Ų158145 Ų14585%0.84578%0.778SS**  175.4130.199.1-85.9-51.7000112.7
292L27.7Very low29.2Very low147 Ų147149.9 Ų149.977%0.7779%0.788SS**  trans-77.2177.4170.8-124.682.3000110.9E294L292-E294 HydrophobicContact CD2-CG 4.34Å
293P31.8Very low29Very low122 Ų122147.4 Ų147.479%0.79278%0.783SS**  cis-146.2178.737.536.7-11.6000119
294E26.9Very low29Very low147 Ų147150.9 Ų150.969%0.68779%0.789SS**  trans-57156.9-175.6-57165.4141.800118.1L292L292-E294 HydrophobicContact CD2-CG 4.34Å
295L29.8Very low28.7Very low182 Ų182153.5 Ų153.595%0.95379%0.79SS**  trans-156.9134.5137.5-110.8142000113
296N27.1Very low28.9Very low119 Ų119153.6 Ų153.664%0.63680%0.797SS**  trans-92.3162-167.8-78.3-54.8000114.5
297Q28.8Very low28.8Very low181 Ų181151.6 Ų151.685%0.84680%0.799SS**  trans69.9149.4154.6-68.3160.729.100116.6
298C28.7Very low28.7Very low114 Ų114148 Ų14877%0.7779%0.792SS**  cis-159.8171.828.7-153.60000111.2
299N27Very low28.7Very low136 Ų136147.6 Ų147.673%0.72780%0.795SS**  trans-75.8170.5-171.2-61.7-44.4000116.3
300D27.8Very low28.7Very low146 Ų146146.6 Ų146.678%0.78179%0.793SS**  trans104.5139.4140-65.7-39000120.9
301I31.9Very low28.8Very low154 Ų154146 Ų14679%0.7979%0.793SS**  trans99.889.4153.3-40.2-171.8000118.8
302K27.2Very low28.8Very low194 Ų194146.4 Ų146.484%0.84380%0.795SS**  24.2134.4125.1-70.7179.3177.4175.70121.2
303S27.1Very low29Very low107 Ų107148.3 Ų148.375%0.74880%0.8SS**  trans71.4110.714167.10000119.6
304M28.5Very low29.2Very low189 Ų189151.8 Ų151.893%0.93180%0.803SS**  177.3146.599.4-103.2179156.700110.7
305Q25.6Very low29.3Very low180 Ų180151.6 Ų151.684%0.84181%0.807SS**  trans-64.5148.7177.4-65.3167-54.100112.1
306I30.8Very low29.5Very low167 Ų167151.8 Ų151.886%0.85680%0.803SS**  172146.9115.8-81155.2000109.5
307N27Very low29.4Very low154 Ų154151.5 Ų151.582%0.82481%0.81SS**  trans-57.1161.8-161-73.7-33.4000119.3
308P28.3Very low29.5Very low113 Ų113150.9 Ų150.973%0.73481%0.812SS**  trans-96.4155.4-162.737.4-31.1000113.2
309L28Very low29.5Very low174 Ų174151.2 Ų151.291%0.91181%0.81SS**  trans-167.3135.2149.8-103.3153.7000111.4
310A31.7Very low29.4Very low82 Ų82151 Ų15168%0.67882%0.818SS**  trans80.8100.415500000119.7
311S30Very low29.5Very low100 Ų100148.1 Ų148.170%0.69981%0.809SS**  55.3117.7129.160.50000119.9
312D33Very low29.5Very low166 Ų166149.1 Ų149.189%0.88881%0.81SS**  -161134.1109.4-91.6-23.2000111.6
313E33.2Very low29.9Very low187 Ų187146.5 Ų146.587%0.87481%0.805SS**  trans-67.6143.6-178.5-62.7175.1143.600112.4
314K34.9Very low30.3Very low195 Ų195146.6 Ų146.685%0.84880%0.797SS**  trans-164.5105145.3-106.4163.1-166.8178.90111
315N28.8Very low31.1Very low144 Ų144142.5 Ų142.577%0.7779%0.787SS**  trans40.5102.9141.9-61.3-19.1000118.8
316H33.3Very low31.9Very low186 Ų186136.3 Ų136.386%0.86176%0.763SS**  trans-147.6116.3136.3-92.7-65.5000110.3L318H316-L318 PolarHBondContact O-N 2.88Å
317S26.7Very low32.8Very low112 Ų112132.3 Ų132.378%0.78374%0.744SS**  trans-59.7123.216754.10000110.4
318L30Very low33.6Very low169 Ų169130.4 Ų130.489%0.88573%0.732SS**  trans-120.2113.9166.5-81.6162.3000109.2H316H316-L318 PolarHBondContact O-N 2.88Å
319T28.4Very low34.7Very low121 Ų121129.9 Ų129.974%0.74272%0.723SS**  trans-60.5124.7176.346.40000111.2S321T319-S321 PolarHBondContact O-N 2.9Å
320C26.1Very low35.7Very low131 Ų131127.4 Ų127.489%0.88571%0.707SS**  trans-87.899163.5-174.50000108
321S28.9Very low36.5Very low86 Ų86128.7 Ų128.760%0.60170%0.699SS**  trans-143.9134.916744.70000108.6T319T319-S321 PolarHBondContact O-N 2.9Å
322Q32.5Very low37.6Very low174 Ų174128.3 Ų128.381%0.81369%0.688SS**  trans87.770.3172.6-52177.5-20.700116.8
323L34.5Very low38.6Very low140 Ų140126 Ų12673%0.73367%0.67SS**  trans-81.6112.8148.8-78.7165000107.8D327L323-D327 HydrophobicContact CD2-CB 4.44Å
324N35.5Very low39.6Very low109 Ų109120 Ų12058%0.58364%0.643SS**  trans-73.1148.1177.1-69.8-26.5000110.1C326 D327N324-C326 PolarHBondContact O-N 3.19Å; N324-D327 PolarHBondContact O-N 2.91Å
325S45Very low40.1Very low103 Ų103112.9 Ų112.972%0.7262%0.621SS**Hα-helixtrans-57.7-20.1-177.360.70000114.6L329S325-L329 PolarHBondContact O-N 3.45Å
326C42.7Very low41.1Very low50 Ų50108.6 Ų108.634%0.33860%0.601SS.*Hα-helixtrans-68.5-33174.4-67.50000113.5N324 L328 L329 H330N324-C326 PolarHBondContact O-N 3.19Å; C326-L328 VanDerWaalsContact C-N 3.33Å; C326-L328 PolarHBondContact O-N 3.34Å; C326-L329 PolarHBondContact O-N 2.95Å; C326-H330 WeakPolarHBondContact O-CB 3.14Å; C326-H330 PolarHBondContact O-N 3.42Å
327D50.5Low41.9Very low83 Ų83102.9 Ų102.944%0.44458%0.583SS.*Hα-helixtrans-68.1-35.6178.1-79.5-36.1000111.6L323 N324 Q331L323-D327 HydrophobicContact CD2-CB 4.44Å; N324-D327 PolarHBondContact O-N 2.91Å; D327-Q331 WeakPolarHBondContact O-CB 3.38Å; D327-Q331 WeakPolarHBondContact O-CG 3.5Å; D327-Q331 PolarHBondContact O-N 2.99Å
328L44.4Very low42.7Very low113 Ų11399.7 Ų99.759%0.59256%0.556SS**Hα-helixtrans-70.3-42.6179-161.974.9000111.3C326 Q331 I332C326-L328 VanDerWaalsContact C-N 3.33Å; C326-L328 PolarHBondContact O-N 3.34Å; L328-Q331 PolarHBondContact O-N 3.18Å; L328-I332 HydrophobicContact CG-CD1 4.26Å; L328-I332 VanDerWaalsContact O-CG1 3.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.48Å; L328-I332 PolarHBondContact O-N 3.19Å
329L51.2Low43.3Very low102 Ų10297.1 Ų97.153%0.53454%0.543SS..Hα-helixtrans-67.7-37.3178.7-153.285.6000111.8S325 C326 I332 K333S325-L329 PolarHBondContact O-N 3.45Å; C326-L329 PolarHBondContact O-N 2.95Å; L329-I332 PolarHBondContact O-N 3.19Å; L329-K333 WeakPolarHBondContact O-CG 3.42Å; L329-K333 PolarHBondContact O-N 3.4Å
330H48.9Very low44.1Very low123 Ų12396 Ų9657%0.56953%0.532SS*.Hα-helixtrans-66.1-41.2173.8-164.594.5000111.1C326 K333 L334C326-H330 WeakPolarHBondContact O-CB 3.14Å; C326-H330 PolarHBondContact O-N 3.42Å; H330-K333 PolarHBondContact O-N 2.84Å; H330-L334 WeakPolarHBondContact CD2-CD1 3.38Å; H330-L334 WeakPolarHBondContact NE2-CD1 3.33Å; H330-L334 WeakPolarHBondContact O-CD1 3.44Å; H330-L334 PolarHBondContact O-N 3.13Å
331Q48.5Very low44.9Very low109 Ų10995.8 Ų95.851%0.50952%0.519SS..Hα-helixtrans-64.2-40.3174.6-77.3-177.254.200113D327 L328 L334 A335D327-Q331 WeakPolarHBondContact O-CB 3.38Å; D327-Q331 WeakPolarHBondContact O-CG 3.5Å; D327-Q331 PolarHBondContact O-N 2.99Å; L328-Q331 PolarHBondContact O-N 3.18Å; Q331-L334 PolarHBondContact O-N 3.13Å; Q331-A335 WeakPolarHBondContact O-CB 3.14Å; Q331-A335 PolarHBondContact O-N 3.09Å
332I53.6Low45.4Very low91 Ų9197.2 Ų97.247%0.46751%0.514SS..Hα-helixtrans-64.8-45.8176.1-69.3164.8000110.7L328 L329 L334 A335 C336L328-I332 HydrophobicContact CG-CD1 4.26Å; L328-I332 VanDerWaalsContact O-CG1 3.26Å; L328-I332 WeakPolarHBondContact O-CG1 3.48Å; L328-I332 PolarHBondContact O-N 3.19Å; L329-I332 PolarHBondContact O-N 3.19Å; I332-L334 VanDerWaalsContact C-N 3.35Å; I332-L334 PolarHBondContact O-N 3.26Å; I332-A335 PolarHBondContact O-N 3.36Å; I332-C336 PolarHBondContact O-N 3.43Å; I332-C336 PolarHBondContact O-SG 2.79Å
333K53.6Low45.8Very low118 Ų11895.1 Ų95.151%0.51350%0.504SS..Hα-helixtrans-61.8-41.2177.2-75.6179.2178.2-179.20112.2L329 H330 S337L329-K333 WeakPolarHBondContact O-CG 3.42Å; L329-K333 PolarHBondContact O-N 3.4Å; H330-K333 PolarHBondContact O-N 2.84Å; K333-S337 PolarHBondContact O-N 2.89Å
334L53.2Low46.1Very low61 Ų6195.8 Ų95.832%0.31950%0.498SS..Hα-helixtrans-66.6-37.8174.5-103.3113.7000112.6H330 Q331 I332 S337 I338H330-L334 WeakPolarHBondContact CD2-CD1 3.38Å; H330-L334 WeakPolarHBondContact NE2-CD1 3.33Å; H330-L334 WeakPolarHBondContact O-CD1 3.44Å; H330-L334 PolarHBondContact O-N 3.13Å; Q331-L334 PolarHBondContact O-N 3.13Å; I332-L334 VanDerWaalsContact C-N 3.35Å; I332-L334 PolarHBondContact O-N 3.26Å; L334-S337 PolarHBondContact O-N 3.05Å; L334-I338 WeakPolarHBondContact O-CD1 3.36Å; L334-I338 WeakPolarHBondContact O-CG1 3.47Å; L334-I338 PolarHBondContact O-N 2.9Å
335A46.4Very low46.4Very low46 Ų4697.7 Ų97.738%0.3850%0.504SS..Hα-helixtrans-63.3-46.8177.500000111.4Q331 I332 S337 I338 D339Q331-A335 WeakPolarHBondContact O-CB 3.14Å; Q331-A335 PolarHBondContact O-N 3.09Å; I332-A335 PolarHBondContact O-N 3.36Å; A335-S337 VanDerWaalsContact C-N 3.3Å; A335-S337 PolarHBondContact O-N 3.12Å; A335-I338 PolarHBondContact O-N 2.85Å; A335-D339 PolarHBondContact O-N 3.31Å
336C48.6Very low46.2Very low53 Ų53101.7 Ų101.736%0.35851%0.508SS..Hα-helixtrans-63.2-32.4177.6-67.90000113.3I332 L340I332-C336 PolarHBondContact O-N 3.43Å; I332-C336 PolarHBondContact O-SG 2.79Å; C336-L340 WeakPolarHBondContact O-CG 3.46Å; C336-L340 PolarHBondContact O-N 2.77Å
337S51Low45.9Very low67 Ų67105.3 Ų105.347%0.46952%0.523SS..Hα-helixtrans-70.3-31.6177.4-162.70000112.8K333 L334 A335 E341K333-S337 PolarHBondContact O-N 2.89Å; L334-S337 PolarHBondContact O-N 3.05Å; A335-S337 VanDerWaalsContact C-N 3.3Å; A335-S337 PolarHBondContact O-N 3.12Å; S337-E341 PolarHBondContact O-N 3.35Å; S337-E341 VanDerWaalsContact O-N 3.16Å
338I44.3Very low45Very low45 Ų45105.4 Ų105.423%0.23153%0.53CS..Hα-helixtrans-74.6-40.5179.8-66.3164.6000110.9L334 A335 L340 E341 F342L334-I338 WeakPolarHBondContact O-CD1 3.36Å; L334-I338 WeakPolarHBondContact O-CG1 3.47Å; L334-I338 PolarHBondContact O-N 2.9Å; A335-I338 PolarHBondContact O-N 2.85Å; I338-L340 VanDerWaalsContact C-N 3.33Å; I338-L340 PolarHBondContact O-N 3.18Å; I338-E341 PolarHBondContact O-N 2.65Å; I338-F342 HydrophobicContact CG2-CD2 4.11Å; I338-F342 PolarHBondContact O-N 2.83Å
339D40.9Very low44.4Very low114 Ų114107.1 Ų107.161%0.6154%0.539SS*.Hα-helixtrans-65-37.8177-79.3-31000111.7A335 Q343A335-D339 PolarHBondContact O-N 3.31Å; D339-Q343 WeakPolarHBondContact O-CG 3.3Å; D339-Q343 PolarHBondContact O-N 3.39Å; D339-Q343 VanDerWaalsContact O-N 3.09Å
340L45.4Very low43.3Very low97 Ų97109.2 Ų109.251%0.50855%0.551SS.*Hα-helixtrans-67.3-45.1175.4-73.1167.8000112.2C336 I338 Q343 Y344C336-L340 WeakPolarHBondContact O-CG 3.46Å; C336-L340 PolarHBondContact O-N 2.77Å; I338-L340 VanDerWaalsContact C-N 3.33Å; I338-L340 PolarHBondContact O-N 3.18Å; L340-Q343 PolarHBondContact O-N 3.01Å; L340-Y344 WeakPolarHBondContact O-CD2 3.39Å; L340-Y344 PolarHBondContact O-N 2.95Å
341E42.8Very low42.3Very low128 Ų128108.1 Ų108.160%0.59856%0.557SS**Hα-helixtrans-65.4-38.2177.7-85.2-173.7163.600112.6S337 I338 Q343 Y344 E345S337-E341 PolarHBondContact O-N 3.35Å; S337-E341 VanDerWaalsContact O-N 3.16Å; I338-E341 PolarHBondContact O-N 2.65Å; E341-Q343 VanDerWaalsContact C-N 3.31Å; E341-Q343 PolarHBondContact O-N 2.61Å; E341-Y344 PolarHBondContact O-N 2.98Å; E341-E345 PolarHBondContact O-N 2.8Å
342F41Very low41.4Very low115 Ų115113.6 Ų113.650%0.50458%0.575SS.*Hα-helixtrans-66.4-32.4174.4-104.1-83.6000112.6I338 K346I338-F342 HydrophobicContact CG2-CD2 4.11Å; I338-F342 PolarHBondContact O-N 2.83Å; F342-K346 WeakPolarHBondContact O-CB 3.37Å; F342-K346 PolarHBondContact O-N 3.05Å
343Q40.1Very low40.2Very low130 Ų130116.8 Ų116.861%0.60759%0.587SS**Hα-helixtrans-70.7-37.1171-71.6-1481.500112D339 L340 E341 K346 L347D339-Q343 WeakPolarHBondContact O-CG 3.3Å; D339-Q343 PolarHBondContact O-N 3.39Å; D339-Q343 VanDerWaalsContact O-N 3.09Å; L340-Q343 PolarHBondContact O-N 3.01Å; E341-Q343 VanDerWaalsContact C-N 3.31Å; E341-Q343 PolarHBondContact O-N 2.61Å; Q343-K346 PolarHBondContact O-N 3.25Å; Q343-L347 WeakPolarHBondContact O-CB 3.32Å; Q343-L347 WeakPolarHBondContact O-CD1 3.27Å; Q343-L347 WeakPolarHBondContact O-CG 3.23Å; Q343-L347 PolarHBondContact O-N 2.91Å
344Y40.7Very low38.9Very low154 Ų154114.2 Ų114.260%0.60460%0.595SS**Hα-helixtrans-72.2-38.5177.6-92.8-86.7000113.8L340 E341 K346 L347 S348L340-Y344 WeakPolarHBondContact O-CD2 3.39Å; L340-Y344 PolarHBondContact O-N 2.95Å; E341-Y344 PolarHBondContact O-N 2.98Å; Y344-K346 PolarHBondContact O-N 3.23Å; Y344-L347 CarbonylContact O-C 3.58Å; Y344-L347 PolarHBondContact O-N 2.75Å; Y344-L347 VanDerWaalsContact O-N 3.17Å; Y344-S348 WeakPolarHBondContact O-CB 3.37Å; Y344-S348 PolarHBondContact O-N 3.15Å; Y344-S348 VanDerWaalsContact O-N 3.08Å
345E41.1Very low37.9Very low150 Ų150121.1 Ų121.170%0.70162%0.623SS**Hα-helixtrans-65.7-28.4172.9-103-175.2169.600111.8E341E341-E345 PolarHBondContact O-N 2.8Å
346K41.5Very low36.9Very low187 Ų187128.5 Ų128.581%0.81365%0.646SS**Hα-helixtrans-82.7-17.1174.6-146.6178.5-174.2-174.50113.6F342 Q343 Y344F342-K346 WeakPolarHBondContact O-CB 3.37Å; F342-K346 PolarHBondContact O-N 3.05Å; Q343-K346 PolarHBondContact O-N 3.25Å; Y344-K346 PolarHBondContact O-N 3.23Å
347L36.4Very low36.2Very low125 Ų125134.3 Ų134.365%0.65467%0.665SS**SBendtrans-98.92.2175.3-72.9165.1000112.9Q343 Y344Q343-L347 WeakPolarHBondContact O-CB 3.32Å; Q343-L347 WeakPolarHBondContact O-CD1 3.27Å; Q343-L347 WeakPolarHBondContact O-CG 3.23Å; Q343-L347 PolarHBondContact O-N 2.91Å; Y344-L347 CarbonylContact O-C 3.58Å; Y344-L347 PolarHBondContact O-N 2.75Å; Y344-L347 VanDerWaalsContact O-N 3.17Å
348S31.1Very low35.1Very low85 Ų85139.8 Ų139.859%0.59468%0.683SS**SBendtrans-102.755.1-179.5172.70000111.9Y344Y344-S348 WeakPolarHBondContact O-CB 3.37Å; Y344-S348 PolarHBondContact O-N 3.15Å; Y344-S348 VanDerWaalsContact O-N 3.08Å
349L33Very low34.3Very low150 Ų150141.5 Ų141.579%0.78571%0.712SS**SBendtrans-172.2120.5159.3-104.4131.7000105.1
350D27Very low33.7Very low146 Ų146142.6 Ų142.678%0.78172%0.717SS**SBendtrans91.695.9178.7-50-27.2000116.7
351S27.9Very low32.9Very low99 Ų99147.3 Ų147.369%0.69273%0.734SS**  trans71.5126165.181.50000116.3
352Y30.4Very low32.3Very low225 Ų225147 Ų14788%0.88274%0.735SS**  177.2101.2127-106.4-84.1000109.9
353H27.4Very low31.7Very low157 Ų157148.1 Ų148.173%0.72775%0.746SS**  trans-68.8134.4161.7-102.9-34.6000110E417H353-E417 IonicContact CE1-OE1 3.67Å; H353-E417 IonicContact NE2-OE1 2.89Å
354G27.1Very low31.2Very low65 Ų65149.1 Ų149.167%0.6776%0.755SS**  trans58.295.5143.800000118.4
355F31.1Very low30.6Very low206 Ų206149.9 Ų149.990%0.90476%0.764SS**  trans-144.5130.6146.5-111.4-85.9000111.6
356K26.9Very low29.9Very low200 Ų200152.8 Ų152.887%0.8777%0.774SS**  trans-61.6131.9170.7-71.2173.7174.6178.30109.1E358K356-E358 PolarHBondContact O-N 2.83Å
357K33.1Very low29.3Very low175 Ų175152.8 Ų152.876%0.76178%0.777SS**  trans-93.392.2179.2-139.4178.1-174.3-179.60110
358E29Very low28.9Very low183 Ų183154.6 Ų154.686%0.85579%0.787SS**  trans-74.6156.7147.7-77.3-174.2165.700108.9K356K356-E358 PolarHBondContact O-N 2.83Å
359G27.2Very low28.8Very low81 Ų81159.7 Ų159.784%0.83580%0.801SS**  trans-54.1142.4-161.800000116.4
360L28.5Very low28.6Very low136 Ų136159.6 Ų159.671%0.71280%0.8SS**  trans-122.690.3164.6-97.6150.8000107.5
361F27.3Very low28.6Very low197 Ų197157.5 Ų157.586%0.86480%0.797SS**  trans-65.2125149.8-105.8-105.7000106.5
362I30.2Very low28.8Very low121 Ų121159.5 Ų159.562%0.62180%0.804SS**  trans-104.2106.6169-64.8175.1000105.6L364I362-L364 HydrophobicContact CG2-CG 4.37Å; I362-L364 PolarHBondContact O-N 3.49Å
363D28.5Very low28.7Very low139 Ų139155.3 Ų155.374%0.74380%0.797SS**  trans-64.7104.3164.6-73.5-33.1000108.5E365D363-E365 PolarHBondContact O-N 3.15Å
364L30.5Very low28.8Very low151 Ų151154.6 Ų154.679%0.79180%0.799SS**  trans-87.157.2164.1-83.5162.2000109.2I362I362-L364 HydrophobicContact CG2-CG 4.37Å; I362-L364 PolarHBondContact O-N 3.49Å
365E27Very low28.9Very low170 Ų170156.5 Ų156.579%0.79480%0.801SS**  trans-140.7102165.2-82.2-169.5167.400107.2D363D363-E365 PolarHBondContact O-N 3.15Å
366K27.6Very low29.1Very low210 Ų210155.6 Ų155.691%0.91380%0.797SS**  trans14282.7160.6-79.1158.8-171.8175.10110.4
367E28.6Very low29.3Very low187 Ų187153.8 Ų153.887%0.87479%0.792SS**  trans-168.484.9145-112.3177.3-17200109.7
368L28.1Very low29.5Very low164 Ų164152.1 Ų152.186%0.85979%0.791SS**  trans-152.169.4156.2-105.1154.8000106.7
369H27.5Very low29.7Very low191 Ų191149.7 Ų149.788%0.88478%0.784SS**  trans-80.6114.7162-93.3-80.3000108.1
370I30.3Very low30Very low149 Ų149152.8 Ų152.876%0.76478%0.782SS**  trans-126.8112.3154.5-62.3178.9000106.8
371S25.6Very low30.1Very low102 Ų102151.9 Ų151.971%0.71378%0.782SS**  trans-77.4136.3170.852.70000110.9
372V32.7Very low30.2Very low141 Ų141154.5 Ų154.586%0.85579%0.786SS**  trans-146.5133.7146.3-175.80000109.1
373D28.5Very low29.9Very low136 Ų136154 Ų15473%0.72779%0.789SS**  trans-71.2158.6-165.1-72.5-50.8000118.3
374D28.8Very low30Very low143 Ų143155.7 Ų155.777%0.76580%0.796SS**  trans47.1112.4138.6-69.2-23000121
375S29.4Very low29.8Very low104 Ų104153.3 Ų153.373%0.72779%0.787SS**  155.2134.893.756.20000114.5
376K34.8Very low29.9Very low187 Ų187154.1 Ų154.181%0.81379%0.791SS**  trans74.8104.8148.6-69.9176.2-178.5178.40121.2
377E31.8Very low30.2Very low163 Ų163152.1 Ų152.176%0.76278%0.782SS**  43.2116.2118.8-73.8-176.2154.600118.9
378N36.8Very low30.3Very low139 Ų139149 Ų14974%0.74377%0.772SS**  -178.5153.684.4-104.3-41.8000114
379N33.8Very low30.5Very low132 Ų132149 Ų14971%0.70677%0.773SS**  trans-66.3154.3-173.1-59.4-57.3000114.4
380N34.7Very low30.7Very low147 Ų147147.5 Ų147.579%0.78677%0.766SS**  172106.6112.7-80.8-25.1000113.4
381T29.2Very low30.8Very low117 Ų117147.3 Ų147.372%0.71877%0.771SS**  38.9118.9126.3-5.20000120.6
382R29.9Very low30.8Very low251 Ų251147.1 Ų147.195%0.94777%0.77SS**  -168.6126.1113.1-109.6175.4177.8168.6-0113.9
383T24.7Very low30.6Very low110 Ų110152.5 Ų152.568%0.67578%0.775SS**  trans-80141.2175.7-27.30000111.7V385T383-V385 HydrophobicContact CG2-CG2 4.04Å
384I29Very low30.4Very low175 Ų175154.6 Ų154.690%0.89778%0.781SS**  trans-139.5132.4144.4-61.4-174.4000108.4
385V26Very low30.4Very low101 Ų101158 Ų15861%0.61279%0.789SS**  trans-108.6144.9-173.5166.40000108.9T383T383-V385 HydrophobicContact CG2-CG2 4.04Å
386E30.9Very low30.2Very low187 Ų187157.5 Ų157.587%0.87479%0.786SS**  trans174.5149.9140.8-100.3173.2-175.700109.7
387K32.2Very low29.8Very low168 Ų168156.1 Ų156.173%0.7379%0.786SS**  cis-169124.3-44.1-125.1-174.5178.5178.60105.3
388N30.9Very low29.5Very low123 Ų123153.8 Ų153.866%0.65879%0.788SS**  trans45.1136.6136.5-54.5-7.7000122.1
389D33.6Very low29.2Very low162 Ų162153 Ų15387%0.86679%0.791SS**  -159145.5100.2-88.1-21.8000113.5
390E31Very low29.1Very low161 Ų161152.6 Ų152.675%0.75280%0.798SS**  trans-82.9166.8-161.9-58.6168.1126.600114.9
391V31.9Very low28.7Very low144 Ų144152.2 Ų152.287%0.87380%0.801SS**  -172.4118.5100.6162.10000109.8
392S26.9Very low28.8Very low99 Ų99151.9 Ų151.969%0.69280%0.803SS**  trans-75158.1177.5-43.40000114.1
393R28.4Very low28.8Very low254 Ų254147.5 Ų147.596%0.95880%0.798SS**  -154.1104.3127.2-86.6-161.8-178121.93.8110.6
394E23.7Very low28.9Very low179 Ų179145.8 Ų145.884%0.83680%0.802SS**  trans-81.2153.8155.2-75.2-177.2140.600110.1
395F28.5Very low29Very low216 Ų216147.1 Ų147.195%0.94781%0.805SS**  trans-139.3138.8139.4-120.4-85.8000109.8
396S26.1Very low29Very low93 Ų93151.2 Ų151.265%0.6581%0.814SS**  trans-98.4149.2-15348.90000115.6
397L25.5Very low29.1Very low157 Ų157152.3 Ų152.382%0.82282%0.816SS**  trans4.6142.3142.5-62.6163.1000120
398S26.4Very low28.8Very low114 Ų114151 Ų15180%0.79782%0.817SS**  -177.7136.7113.5-720000112.6
399P30.9Very low28.9Very low124 Ų124152.2 Ų152.281%0.80583%0.828SS**  trans-97.7143.8169.535.8-27.2000111.6
400S30.4Very low28.5Very low122 Ų122152.7 Ų152.785%0.85382%0.823SS**  trans-156.4134.5164.943.90000113.5
401V27.6Very low28.5Very low140 Ų140153.2 Ų153.285%0.84883%0.83SS**  trans-73.5139.4-178.8171.70000111
402S30.8Very low28.1Very low109 Ų109154 Ų15476%0.76282%0.824SS**  trans-177.6126134.145.80000114
403N28.6Very low28.2Very low160 Ų160154.9 Ų154.986%0.85683%0.828SS**  trans35.9110.3143-72.2-14.3000121.4
404G27.4Very low28.2Very low73 Ų73151.4 Ų151.475%0.75382%0.822SS**  78.1110.9113.600000118.8
405Q30.9Very low28.3Very low203 Ų203148.9 Ų148.995%0.94982%0.819SS**  -178.4136.4107.2-97.6-174.6-15.200111.6
406K27.1Very low28.4Very low188 Ų188144.6 Ų144.682%0.81781%0.81SS**  trans-53.7146.7177.5-73.2172.5168.3178.80113.6
407K31.5Very low28.3Very low209 Ų209147.1 Ų147.191%0.90981%0.812SS**  -154120.2129.7-106.7171.3-171.1179.80110.8
408D26.9Very low28.5Very low142 Ų142148 Ų14876%0.75981%0.814SS**  trans-67.6137-178.1-59.8-71.6000113.1
409V32.2Very low28.5Very low147 Ų147149.3 Ų149.389%0.89181%0.812SS**  trans-137.9125.4147.6-179.70000108.3
410K26Very low28.5Very low173 Ų173151 Ų15175%0.75281%0.811SS**  trans-102.8123.8-165.3-176.7-177.9-173.3-178.60109.7
411L30.1Very low28.3Very low171 Ų171149.3 Ų149.390%0.89580%0.799SS**  trans-140.7117.6162.1-81.1168.3000109.4
412Q25.2Very low28.3Very low161 Ų161151.7 Ų151.775%0.75280%0.798SS**  trans-84.6153.3178-64.6177.4-23.800110.7
413P28.6Very low28.3Very low118 Ų118153 Ų15377%0.76680%0.802SS**  trans-109.9127149.330.9-17.8000110.4
414E28.6Very low28.2Very low181 Ų181154.8 Ų154.885%0.84680%0.802SS**  trans-76.4127.7173.7-168.2173.8-173.400109.3
415V25.6Very low28.3Very low126 Ų126159.5 Ų159.576%0.76481%0.809SS**  trans-108.3124172.1177.50000106.8
416T29Very low28Very low126 Ų126157.7 Ų157.777%0.77380%0.8SS**  trans-111.7107.2168.2-26.80000108
417E24.8Very low28.1Very low145 Ų145154.8 Ų154.868%0.67880%0.802SS**  trans-69.5141.1164.6-78.2179.4141.700110H353H353-E417 IonicContact CE1-OE1 3.67Å; H353-E417 IonicContact NE2-OE1 2.89Å
418M29.7Very low27.9Very low177 Ų177151.2 Ų151.287%0.87279%0.793SS**  trans-141.9104.5160-123.3179.559.600109.2
419D25.9Very low28.1Very low140 Ų140154.1 Ų154.175%0.74980%0.799SS**  trans-77.5133.7171.4-175.213.3000109.8
420M31.8Very low27.9Very low159 Ų159154 Ų15478%0.78379%0.794SS**  trans-152.797.5163.9-82.5-157.363.200110.9
421S25.9Very low28.1Very low87 Ų87157.2 Ų157.261%0.60880%0.803SS**  trans-91.6147.5159.1560000111.1
422K28.2Very low28Very low191 Ų191153.9 Ų153.983%0.8379%0.794SS**  trans72.7106.9164.4-59174.9-178.9171.30118.3
423T31.3Very low28.1Very low137 Ų137153 Ų15384%0.8479%0.793SS**  -161.8125.8120.9-9.60000112.1
424K25Very low28.3Very low196 Ų196153.6 Ų153.685%0.85280%0.797SS**  trans-64.1138.5160.1-83.9173.7169.9177.10108.7
425L29.5Very low28.2Very low172 Ų172153.3 Ų153.390%0.90180%0.795SS**  trans-158.7130.7138.6-131.188.5000110.8
426Q25Very low28.6Very low165 Ų165154 Ų15477%0.77180%0.8SS**  trans-97136.1173.9178161.7-13.400108.3
427C29.7Very low28.8Very low127 Ų127152 Ų15286%0.85880%0.796SS**  trans-159.6114.9156.6-102.10000110.5
428D26Very low29.1Very low134 Ų134153.2 Ų153.272%0.71781%0.808SS**  trans-58151.8160-67-51.6000111.6
429K32.6Very low29.2Very low204 Ų204148.7 Ų148.789%0.88781%0.806SS**  178.7131.2122.8-96.1166-173.4-179.60112.4
430D27.3Very low29.2Very low145 Ų145147.9 Ų147.978%0.77581%0.812SS**  trans-49.5147.7171-53.3-72000114.3
431Y29.8Very low29.2Very low239 Ų239145.1 Ų145.194%0.93781%0.814SS**  trans-150.6128.1144.5-113.2-82.1000112
432S29.3Very low29.3Very low102 Ų102152.2 Ų152.271%0.71383%0.827SS**  trans-94.8141.7178.6-66.60000112
433I26.9Very low29Very low142 Ų142149 Ų14973%0.72883%0.827SS**  trans18.3149.6148.8-25177.7000120.4Q435I433-Q435 HydrophobicContact CG2-CG 4.49Å
434P31.7Very low28.9Very low130 Ų130148.2 Ų148.284%0.84482%0.822SS**  -141.915610129.5-10.6000116.8
435Q27.4Very low28.9Very low175 Ų175146.5 Ų146.582%0.81882%0.822SS**  trans-75.5147.7175.7-61.5171-5.500113.1I433I433-Q435 HydrophobicContact CG2-CG 4.49Å
436T33.3Very low28.9Very low140 Ų140149.2 Ų149.286%0.85982%0.82SS**  trans-176.8122.1141.445.70000106.1
437A33Very low28.7Very low85 Ų85148 Ų14870%0.70283%0.825SS**  cis123.4120.948.600000108.4
438N32Very low28.7Very low171 Ų171147.8 Ų147.891%0.91482%0.822SS**  trans72.9112154.8-59.9-16.2000121.3
439G31.1Very low28.8Very low81 Ų81147.4 Ų147.484%0.83582%0.824SS**  trans178.262167.400000115.7
440S27.1Very low28.4Very low124 Ų124143.4 Ų143.487%0.86782%0.817SS**  trans5.7115.4158.9179.30000120.7
441A30.3Very low28.4Very low100 Ų100144 Ų14483%0.82682%0.818SS**  trans-157.5117.6136.500000110.6
442R28.1Very low28.2Very low237 Ų237140.5 Ų140.589%0.89481%0.81SS**  trans-67.4132.8-179.7-88.4174.4-179.6153.61.6112.3
443C23.6Very low28.1Very low123 Ų123141.2 Ų141.283%0.83182%0.815SS**  trans-72.1135.8154.2-57.40000109.9
444V29.2Very low28Very low120 Ų120140.6 Ų140.673%0.72781%0.813SS**  trans-129.5104.7163.1-124.20000107.4
445N25.1Very low27.8Very low161 Ų161146 Ų14686%0.86182%0.818SS**  trans-67.5127.7163.4-74.7-22.9000108.6
446R27.5Very low27.8Very low228 Ų228145.2 Ų145.286%0.8681%0.814SS**  trans-140.5108161.3-75.5-169.6176.8-179.8-1.2109.6
447T22.2Very low27.8Very low141 Ų141147.8 Ų147.887%0.86581%0.813SS**  trans-66.1145.2159.516.60000110.5
448P30Very low27.5Very low122 Ų122150.8 Ų150.879%0.79282%0.818SS**  trans-116.5112.9156.312.48.4000112.2
449T27.6Very low27.4Very low126 Ų126148.2 Ų148.277%0.77381%0.813SS**  trans-8.2129146.1-45.70000118.3
450V24.2Very low27.5Very low120 Ų120149.1 Ų149.173%0.72781%0.807SS**  trans-75.9129.8163.1174.70000109.8
451I26.8Very low27.7Very low156 Ų156148.3 Ų148.380%0.880%0.801SS**  trans-109.8119.5166.3-65.1-179.8000108
452H25.3Very low27.7Very low167 Ų167149.3 Ų149.377%0.77380%0.797SS**  trans-79.8138.6172.7-132.7-88.5000109.5
453S26.7Very low27.7Very low117 Ų117146.7 Ų146.782%0.81879%0.791SS**  trans-123.7123159.672.30000110.3
454L26.3Very low28Very low129 Ų129149.8 Ų149.868%0.67579%0.791SS**  trans-62.2147.1-175.8-63.1149.2000113.4
455Y27.8Very low28Very low243 Ų243149 Ų14995%0.95379%0.79SS**  trans-141100.6139.5-105.6-83.8000108.8
456E26.6Very low28Very low158 Ų158146.8 Ų146.874%0.73878%0.783SS**  trans-75.5144.1166.6-74175.8143.100110.3
457K32.4Very low28Very low195 Ų195144.1 Ų144.185%0.84878%0.78SS**  trans-156.198.8140.7-110174.3-173.4-179.60110.6
458N28.6Very low28.3Very low148 Ų148145.5 Ų145.579%0.79178%0.776SS**  trans45110.6137.7-55.3-18000119.2
459S30Very low28Very low116 Ų116144.7 Ų144.781%0.81177%0.773SS**  -172.9132.6100.8-145.70000112.6
460S31.5Very low28.1Very low101 Ų101148.8 Ų148.871%0.70678%0.781SS**  trans-29.6149.4162.647.30000116
461S32Very low28.1Very low106 Ų106150.3 Ų150.374%0.74179%0.785SS**  cis-175.214531.8-114.30000111.8
462V31Very low28.3Very low122 Ų122149.3 Ų149.374%0.73979%0.786SS**  trans68.892.7141.3-169.80000120.8
463K26.9Very low28.2Very low181 Ų181152.4 Ų152.479%0.78779%0.791SS**  44127.9114.8-74.2-179.2-178.1173.20121.9
464K30.1Very low28.5Very low189 Ų189153.5 Ų153.582%0.82279%0.793SS**  98.8111.9126.3-84.2179.2177.7-171.10119.5
465S28.8Very low28.5Very low102 Ų102154.9 Ų154.971%0.71380%0.801SS**  102.8105.6115-165.20000119.6
466V26.7Very low28.6Very low116 Ų116151.2 Ų151.270%0.70380%0.797SS**  72.3115125-177.60000120.2
467H25.8Very low28.5Very low171 Ų171153.6 Ų153.679%0.79281%0.805SS**  trans78139.9143.9-85.5-44.8000123.5
468Q30Very low28.5Very low170 Ų170153 Ų15379%0.79481%0.805SS**  trans91.198.1151.6-79170-5.400118.1
469S23.7Very low28.4Very low105 Ų105154 Ų15473%0.73480%0.803SS**  29.9115127.8-37.10000117.7
470F28.5Very low28.6Very low213 Ų213155.8 Ų155.893%0.93481%0.808SS**  trans-161.8132140-113-82.2000110.2
471N24.2Very low28.5Very low151 Ų151156.3 Ų156.381%0.80780%0.803SS**  trans-55.6153162.1-84.3-41.7000110.6
472V30.9Very low28.4Very low135 Ų135159 Ų15982%0.81880%0.804SS**  171.7130127.3156.80000109.9
473R24.9Very low28.4Very low233 Ų233164.7 Ų164.788%0.87981%0.812SS**  trans-57.2148.8167.5-77.6170.4160.7157.6-6.5112.1
474T31.6Very low28.7Very low140 Ų140162 Ų16286%0.85981%0.807SS**  trans-162.6125.8130.939.70000111.1
475N25.9Very low29Very low158 Ų158161 Ų16185%0.84580%0.802SS**  trans-65.9149.2163.3-74.9-31.7000110.8
476L30.4Very low29Very low165 Ų165163.2 Ų163.286%0.86481%0.806SS**  trans-143.9102.5153.4-150.376.7000109.9
477F25.3Very low29.4Very low208 Ų208163 Ų16391%0.91281%0.809SS**  trans-94.4130157.5-108.5-89.5000106.5
478E31.4Very low29.6Very low182 Ų182159.4 Ų159.485%0.8580%0.804SS**  trans-141.5126.9158.4-152.4168.4-161.600110.5
479K27.5Very low29.8Very low171 Ų171159 Ų15974%0.74381%0.806SS**  trans-73.8150.2-178.9-72.5171.3169.3179.40111.4
480V32.8Very low30Very low153 Ų153158.4 Ų158.493%0.92780%0.802SS**  trans-137.1115.6145.2-179.70000109.3
481D30.6Very low30.2Very low112 Ų112157.4 Ų157.460%0.59980%0.8SS**  trans-83.3147176.8-99.3-49.1000112.8
482Q29.5Very low30.5Very low163 Ų163157 Ų15776%0.76280%0.803SS**  trans51.3126.4139.7-61.6179.210.800121.9
483R31.1Very low30.5Very low241 Ų241154.2 Ų154.291%0.90980%0.802SS**  -173.8104125.2-99.5167.2-155.1172.77.4112.5
484D33.6Very low30.6Very low125 Ų125149.4 Ų149.467%0.66880%0.798SS**  45.6127117.9-84.37.7000123.3
485K36.5Very low30.5Very low167 Ų167150.2 Ų150.273%0.72680%0.797SS**  trans102.4108.9131.9-71.6163.9-171.2166.70120.6
486N29.1Very low30.8Very low149 Ų149147.3 Ų147.380%0.79779%0.789SS**  53.9114.6124.7-60.7-9.6000120.3
487S34.1Very low30.7Very low110 Ų110149 Ų14977%0.76979%0.789SS**  176.6122.6110.958.50000112.4
488S30.8Very low30.8Very low97 Ų97146.7 Ų146.768%0.67879%0.785SS**  trans2134146.2550000119.3
489L33Very low30.8Very low160 Ų160144.3 Ų144.384%0.83878%0.784SS**  -176.3145.197-112.6110000111.3
490S27.4Very low31.1Very low94 Ų94145.4 Ų145.466%0.65779%0.788SS**  trans-54146.9175.149.30000114.9
491E34.2Very low31.1Very low192 Ų192141 Ų14190%0.89777%0.774SS**  -170.2141121.9-105.5170.1-166.500112.3
492T29.9Very low31.2Very low142 Ų142142.1 Ų142.187%0.87179%0.787SS**  trans-72.9141.8-175.5470000113
493G31.6Very low31.4Very low76 Ų76139.2 Ų139.278%0.78479%0.785SS**  trans-166.988.2171.900000113
494T27.3Very low31.6Very low132 Ų132132.6 Ų132.681%0.8178%0.776SS**  trans-46134165.3-41.90000111.7
495L29.6Very low31.7Very low157 Ų157131.7 Ų131.782%0.82277%0.77SS**  trans167.1136.8130.8-90.2153.3000114.3
496S31.2Very low31.6Very low97 Ų97125.5 Ų125.568%0.67875%0.75SS**  trans82.894.7148.768.20000120.8
497K28.2Very low32.2Very low200 Ų200124.8 Ų124.887%0.8774%0.736SS**  17.2105.5121.9-67.2176177.7177.10116.2
498L28.2Very low32.6Very low160 Ų160120.7 Ų120.784%0.83871%0.706SS**  trans-114.894.1153.3-100.5130.1000108.3K500L498-K500 PolarHBondContact O-N 3.45Å
499T29.7Very low32.9Very low132 Ų132122.6 Ų122.681%0.8170%0.702SS**  trans-73102.4166.150.10000108G501T499-G501 PolarHBondContact O-N 3.26Å
500K35.7Very low33.3Very low194 Ų194116.4 Ų116.484%0.84367%0.671SS**  trans-78.3110.4166.3-73.2-177.5177.4-179.30107.8L498L498-K500 PolarHBondContact O-N 3.45Å
501G31.7Very low33.5Very low61 Ų61115.9 Ų115.963%0.62967%0.667SS**PPolyproline II helixtrans-69.8164.717200000111.8T499 S503T499-G501 PolarHBondContact O-N 3.26Å; G501-S503 PolarHBondContact O-N 3.16Å
502P32.4Very low33.5Very low135 Ų135112.6 Ų112.688%0.87766%0.656SS**PPolyproline II helixtrans-68.8127.9-175.127.9-31.7000110.8
503S34.5Very low33.5Very low102 Ų102114.7 Ų114.771%0.71365%0.653SS**PPolyproline II helixtrans-64.1137172178.50000110.6G501G501-S503 PolarHBondContact O-N 3.16Å
504S34.2Very low33.4Very low102 Ų102118.9 Ų118.971%0.71366%0.657SS**PPolyproline II helixtrans-85.5121.6178.148.40000111.8
505L35.6Very low34Very low106 Ų106119.2 Ų119.256%0.55565%0.648SS**  trans50.179.3152.5-72.5167.6000116.8R507L505-R507 HydrophobicContact CB-CG 4.48Å; L505-R507 HydrophobicContact CD2-CG 4.07Å; L505-R507 PolarHBondContact O-N 3.27Å
506A35.2Very low34.2Very low37 Ų37116.2 Ų116.231%0.30663%0.632SS.*  trans-75.179.3153.500000109.3I140 I508I140-A506 HydrophobicContact CD1-CB 3.81Å; A506-I508 PolarHBondContact O-N 3.42Å
507R41.6Very low34.2Very low134 Ų134119.6 Ų119.651%0.50664%0.637SS.*  trans-8198.2166.3-67.8-178.5-163.2153.87.8108L505 F509L505-R507 HydrophobicContact CB-CG 4.48Å; L505-R507 HydrophobicContact CD2-CG 4.07Å; L505-R507 PolarHBondContact O-N 3.27Å; R507-F509 VanDerWaalsContact C-N 3.28Å; R507-F509 HydrophobicContact CB-CD2 3.68Å; R507-F509 HydrophobicContact CB-CE2 3.63Å; R507-F509 HydrophobicContact CG-CE2 4.16Å; R507-F509 PolarHBondContact O-N 3.34Å
508I43.5Very low34.4Very low25 Ų25114.5 Ų114.513%0.12862%0.624CS.*  trans-67.893.4165.2-61175.4000106.9I140 L145 A506 V510I140-I508 HydrophobicContact CD1-CD1 3.91Å; I140-I508 HydrophobicContact CD1-CG1 4.39Å; I140-I508 HydrophobicContact CG1-CD1 3.88Å; I140-I508 HydrophobicContact CG2-CD1 4.12Å; L145-I508 HydrophobicContact CB-CD1 4.13Å; A506-I508 PolarHBondContact O-N 3.42Å; I508-V510 PolarHBondContact O-N 3.15Å
509F37Very low34.7Very low137 Ų137114.3 Ų114.360%0.60162%0.622SS**  trans-84.9103.7170.3-86.3-79000108.3R507 S511R507-F509 VanDerWaalsContact C-N 3.28Å; R507-F509 HydrophobicContact CB-CD2 3.68Å; R507-F509 HydrophobicContact CB-CE2 3.63Å; R507-F509 HydrophobicContact CG-CE2 4.16Å; R507-F509 PolarHBondContact O-N 3.34Å; F509-S511 PolarHBondContact O-N 3.25Å; F509-S511 VanDerWaalsContact O-N 3.16Å
510V40.2Very low35Very low29 Ų29113.3 Ų113.318%0.17662%0.616CS.*  trans-58.3120.3158.6-177.30000106.8V149 C154 I508 N512V149-V510 HydrophobicContact CB-CG2 4.48Å; V149-V510 HydrophobicContact CG1-CG2 3.27Å; C154-V510 WeakPolarHBondContact O-CG2 3.34Å; I508-V510 PolarHBondContact O-N 3.15Å; V510-N512 PolarHBondContact O-N 3.46Å
511S32.7Very low34.9Very low83 Ų83111.5 Ų111.558%0.5862%0.616SS**  trans-6876.6179.348.70000111.3F509F509-S511 PolarHBondContact O-N 3.25Å; F509-S511 VanDerWaalsContact O-N 3.16Å
512N33.9Very low35Very low124 Ų124117 Ų11766%0.66363%0.625SS**  trans-101.669.7148.8-90.8-22.4000107.4V510 N514V510-N512 PolarHBondContact O-N 3.46Å; N512-N514 PolarHBondContact O-N 3.05Å
513F29Very low35Very low186 Ų186119.6 Ų119.682%0.81662%0.623SS**THydrogen-bonded Turntrans-58.599.2170.7-91.3-92000108.6
514N31.1Very low35.1Very low163 Ų163120.7 Ų120.787%0.87263%0.627SS**THydrogen-bonded Turntrans176.44.4147.9-87.1-25.4000115N512N512-N514 PolarHBondContact O-N 3.05Å
515K38.9Very low35.1Very low140 Ų140124.7 Ų124.761%0.60963%0.634SS**SBendtrans-133.6-1-169.9-73.9-172.4179.6179.90120.2D189D189-K515 IonicContact OD1-NZ 3.31Å; D189-K515 PolarHBondContact OD1-NZ 3.1Å
516L33.4Very low34.9Very low94 Ų94123.5 Ų123.549%0.49265%0.648SS.*  trans-129.6105.4179.5-74.9160.3000112.4Y185Y185-L516 HydrophobicContact CD2-CD1 3.72Å; Y185-L516 HydrophobicContact CE2-CD1 3.76Å
517H30.6Very low34.8Very low168 Ų168126.8 Ų126.878%0.77867%0.669SS**  trans-77.2145.6160.5-88.8-84.9000109.6I519H517-I519 PolarHBondContact O-N 3.19Å
518P34.5Very low34.4Very low93 Ų93128.7 Ų128.760%0.60469%0.686SS**  trans-69.6117.3171.61.213.1000109.3T520P518-T520 PolarHBondContact O-N 2.96Å
519I34Very low33.9Very low155 Ų155132.3 Ų132.380%0.79571%0.713SS**  trans-77.399.3163.4-60.8175.4000106.7H517H517-I519 PolarHBondContact O-N 3.19Å
520T34.9Very low33.7Very low112 Ų112130.5 Ų130.569%0.68772%0.717SS**  trans-83.7113.3162.747.70000108.6P518 Q522P518-T520 PolarHBondContact O-N 2.96Å; T520-Q522 VanDerWaalsContact C-N 3.29Å; T520-Q522 PolarHBondContact O-N 3.33Å
521D33.9Very low33.4Very low156 Ų156136.4 Ų136.483%0.83475%0.746SS**  trans-69.587.6163.5-83.6-30.4000109.1
522Q33.3Very low33.3Very low177 Ų177136.5 Ų136.583%0.82775%0.747SS**  trans-97.4112.9155.2-79.5-170.2-2.400108.4T520T520-Q522 VanDerWaalsContact C-N 3.29Å; T520-Q522 PolarHBondContact O-N 3.33Å
523K32.8Very low33.2Very low189 Ų189138 Ų13882%0.82275%0.75SS**  trans-59131.9173.4-159.7-178.7-173.5-171.40109.6E525K523-E525 PolarHBondContact O-N 3.39Å
524P36.1Very low33.4Very low124 Ų124136.8 Ų136.881%0.80575%0.745SS**  trans-84.911517731.4-28.2000109.9
525E34.3Very low33.4Very low186 Ų186136.7 Ų136.787%0.86974%0.737SS**  trans-88.4104.3157.5-68.7-147.1166.100108.7K523K523-E525 PolarHBondContact O-N 3.39Å
526G31.7Very low33.1Very low82 Ų82135.3 Ų135.385%0.84574%0.74SS**  trans-103.8106.7167.500000109.2
527S33.4Very low33Very low105 Ų105135.6 Ų135.673%0.73475%0.75SS**  trans-120.6155.2161.168.60000109.4
528M34Very low33.2Very low175 Ų175136.5 Ų136.586%0.86276%0.755SS**  trans87.889.7169.5-49.9-138.287.200116.5
529S31.9Very low33.2Very low101 Ų101136 Ų13671%0.70676%0.758SS**  trans-61.3156.6140.453.10000110.8
530S33.4Very low33.2Very low98 Ų98139.4 Ų139.469%0.68576%0.761SS**  trans104.8119.5147.1-21.30000116.7
531I32.9Very low33.1Very low154 Ų154141.3 Ų141.379%0.7977%0.767SS**  trans11199.4136.6-64.6154.5000117.1
532S31.1Very low33.2Very low84 Ų84141.8 Ų141.859%0.58777%0.77SS**  85112.4128.276.70000121.3
533Q32.8Very low33.3Very low157 Ų157137.7 Ų137.773%0.73476%0.761SS**  52.8121.5115.4-55.6171.1-21.200117.2
534F32.2Very low33.6Very low160 Ų160135.6 Ų135.670%0.70276%0.759SS**  -180122.591.8-106.8-96.4000111.4
535F31.8Very low33.7Very low160 Ų160137.1 Ų137.170%0.70275%0.752SS**  trans65.4124.1131-78.5-111.6000124.4
536T33Very low33.8Very low112 Ų112134.6 Ų134.669%0.68774%0.739SS**  87.699.5129.850.10000122.8
537S31Very low33.9Very low100 Ų100140 Ų14070%0.69974%0.735SS**  32.9124.4113.564.30000121.2
538E33.5Very low34Very low186 Ų186143.8 Ų143.887%0.86974%0.738SS**  165.7118119.5-92.7-177.2157.300107.6
539A35.1Very low34Very low82 Ų82142.5 Ų142.568%0.67874%0.74SS**  104.5136.666.700000111.8
540R33.6Very low34.1Very low228 Ų228142.3 Ų142.386%0.8674%0.739SS**  trans94.7106.1154.5-63175.5179.9165.62.2120.2
541N33.5Very low34.5Very low152 Ų152144.9 Ų144.981%0.81375%0.75SS**  45.8120.3119.7-66.1-9.1000119.4
542N36.3Very low34.7Very low165 Ų165142.4 Ų142.488%0.88275%0.747SS**  -154.2129.2124.7-113.8-20.4000113.4
543S35.5Very low35.2Very low92 Ų92147.9 Ų147.964%0.64376%0.76SS**  trans-74.3152.1173.149.20000112.8
544N38.4Very low35.5Very low145 Ų145145 Ų14578%0.77576%0.757SS**  trans164.9148.6137.5-86.5-24.7000109
545K38.7Very low35.8Very low155 Ų155144.6 Ų144.667%0.67476%0.762SS**  cis174.5149-22.1-139.2171.7174.3178.60104.1
546F36.2Very low36.5Very low133 Ų133145.6 Ų145.658%0.58377%0.774SS**  trans75.3146.1150.2-77-57.8000120.7
547Y34.3Very low37Very low195 Ų195149.5 Ų149.577%0.76578%0.781SS**  cis-150.9151.112.2-109.8-72.9000112.2
548K35.9Very low37.5Very low186 Ų186149.7 Ų149.781%0.80978%0.783SS**  trans-63.9160.6168.1-87.6172.5166.2175.80113.8
549T34.2Very low38.2Very low147 Ų147145.6 Ų145.690%0.90278%0.775SS**  -176.1154.6108.424.40000114.3
550S34Very low38.9Very low98 Ų98153.1 Ų153.169%0.68580%0.804SS**  trans-116.3151.8-160.747.10000111.9
551V40.3Very low39.2Very low151 Ų151149.4 Ų149.492%0.91580%0.801SS**  trans-142132.4151.6-178.20000110.1
552S37.1Very low39.5Very low102 Ų102149.3 Ų149.371%0.71380%0.8SS**  trans-126.4149.8180-36.30000109.1
553K42.7Very low39.7Very low200 Ų200148.4 Ų148.487%0.8780%0.796SS**  trans167.4101.6149.3-95.4166.7-176.8-175.90107.9
554S39.5Very low39.9Very low95 Ų95151.7 Ų151.766%0.66481%0.805SS**  72.4111.279.473.10000116
555N37.8Very low40Very low153 Ų153152.1 Ų152.182%0.81881%0.806SS**  trans57.7121.1141.3-61.4-22.4000120.9
556L46.1Very low40.1Very low181 Ų181151.9 Ų151.995%0.94882%0.815SS**  -160.4140.8125.2-104.8139.7000111.3
557K43.1Very low40.4Very low193 Ų193153.3 Ų153.384%0.83983%0.832SS**  trans-82.6165.5-177.5-80.9175.2169.7177.90111.9
558S42.3Very low40.8Very low104 Ų104150.1 Ų150.173%0.72784%0.837SS**  trans83.4118.6141.371.10000120.4
559S47.7Very low41.2Very low101 Ų101147.1 Ų147.171%0.70684%0.839SS**  trans55.5101.6134.554.80000118.7
560N50.2Low41.9Very low240 Ų240147.1 Ų147.1100%1.28383%0.834SS**  -1620100.6-93.9-20000109.8

Retrieved 560 of 560 residues in 115.1 ms (Link to these results)

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