A0A087X4D0_POEFO Loading...

Neuronal tyrosine-phosphorylated phosphoinositide-3-kinase adaptor 2

AlphaFold DB , UniProt , Accession A0A087X4D0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 683 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
1R63.4Low80.3Confident297 Ų297127.5 Ų127.5100%1.12162%0.618SS**  0108.20-168.5180-162.1160.23.9105.6
2M65.1Low81.3Confident186 Ų186123.4 Ų123.492%0.91661%0.612SS**PPolyproline II helixtrans-68.6140.7172.4-70.3168.367.100107.9
3M70.4Confident82.4Confident106 Ų106123.8 Ų123.852%0.52261%0.608SS.*PPolyproline II helixtrans-78.6156.6171.8-67.6-174.660.400109.4E7 L11M3-E7 WeakPolarHBondContact CA-OE2 3.46Å; M3-E7 HydrophobicContact CB-CB 4.4Å; M3-E7 HydrophobicContact CE-CB 3.54Å; M3-E7 HydrophobicContact CE-CG 4.49Å; M3-L11 HydrophobicContact CE-CD1 3.66Å; M3-L11 HydrophobicContact SD-CD1 4.44Å
4S83.1Confident83.4Confident62 Ų62123.9 Ų123.943%0.43460%0.603SS.*PPolyproline II helixtrans-69.4144.5169.3-169.30000109.2K6 E7 E8S4-K6 PolarHBondContact O-N 2.74Å; S4-K6 VanDerWaalsContact O-N 3.08Å; S4-E7 PolarHBondContact N-OE2 2.81Å; S4-E7 WeakPolarHBondContact O-CA 3.21Å; S4-E7 WeakPolarHBondContact O-CB 3.08Å; S4-E7 PolarHBondContact O-N 3.34Å; S4-E8 PolarHBondContact O-N 3.45Å; S4-E8 VanDerWaalsContact O-N 3.14Å
5S78.7Confident84.2Confident72 Ų72123.3 Ų123.350%0.50360%0.599SS.*Hα-helixtrans-55.3-31176.4630000112.3E7 E8 E9S5-E7 PolarHBondContact O-N 3.43Å; S5-E8 PolarHBondContact O-N 2.98Å; S5-E9 WeakPolarHBondContact O-CB 3.1Å; S5-E9 VanDerWaalsContact O-CG 3.25Å; S5-E9 WeakPolarHBondContact O-CG 3.48Å; S5-E9 PolarHBondContact O-N 3.15Å
6K80.6Confident85Confident148 Ų148124.1 Ų124.164%0.64360%0.595SS**Hα-helixtrans-68.1-31175.4-61.5-176.4177.8-176.10113.6S4 T10S4-K6 PolarHBondContact O-N 2.74Å; S4-K6 VanDerWaalsContact O-N 3.08Å; K6-T10 WeakPolarHBondContact O-CG2 3.41Å; K6-T10 PolarHBondContact O-N 3.44Å; K6-T10 VanDerWaalsContact O-N 3.16Å; K6-T10 PolarHBondContact O-OG1 3.21Å
7E82.4Confident85.7Confident95 Ų95120.9 Ų120.944%0.44459%0.585SS.*Hα-helixtrans-74.2-37.3174.2-61.5170.2144.300110M3 S4 S5 T10 L11M3-E7 WeakPolarHBondContact CA-OE2 3.46Å; M3-E7 HydrophobicContact CB-CB 4.4Å; M3-E7 HydrophobicContact CE-CB 3.54Å; M3-E7 HydrophobicContact CE-CG 4.49Å; S4-E7 PolarHBondContact N-OE2 2.81Å; S4-E7 WeakPolarHBondContact O-CA 3.21Å; S4-E7 WeakPolarHBondContact O-CB 3.08Å; S4-E7 PolarHBondContact O-N 3.34Å; S5-E7 PolarHBondContact O-N 3.43Å; E7-T10 WeakPolarHBondContact CA-OG1 3.36Å; E7-T10 PolarHBondContact O-OG1 2.85Å; E7-L11 WeakPolarHBondContact O-CG 3.3Å; E7-L11 PolarHBondContact O-N 3.23Å
8E86.6Confident86.3Confident134 Ų134122.3 Ų122.363%0.62659%0.59SS**Hα-helixtrans-68.8-43.4175.3-170.1168.7-164.400112.2S4 S5 T10 L11 S12S4-E8 PolarHBondContact O-N 3.45Å; S4-E8 VanDerWaalsContact O-N 3.14Å; S5-E8 PolarHBondContact O-N 2.98Å; E8-T10 PolarHBondContact O-N 3.29Å; E8-L11 PolarHBondContact O-N 2.94Å; E8-S12 VanDerWaalsContact O-CB 3.31Å; E8-S12 WeakPolarHBondContact O-CB 3.25Å; E8-S12 PolarHBondContact O-N 3.13Å
9E89.4Confident86.9Confident127 Ų127119.9 Ų119.959%0.59358%0.579SS**Hα-helixtrans-58.4-43.9172.7-76.6165.2178.500112.1S5 S12 F13S5-E9 WeakPolarHBondContact O-CB 3.1Å; S5-E9 VanDerWaalsContact O-CG 3.25Å; S5-E9 WeakPolarHBondContact O-CG 3.48Å; S5-E9 PolarHBondContact O-N 3.15Å; E9-S12 PolarHBondContact O-N 3.14Å; E9-F13 PolarHBondContact O-N 3.43Å
10T91.1Very high87.4Confident76 Ų76116.9 Ų116.947%0.46657%0.565SS.*Hα-helixtrans-70-39.117945.70000112.5K6 E7 E8 F13 F14K6-T10 WeakPolarHBondContact O-CG2 3.41Å; K6-T10 PolarHBondContact O-N 3.44Å; K6-T10 VanDerWaalsContact O-N 3.16Å; K6-T10 PolarHBondContact O-OG1 3.21Å; E7-T10 WeakPolarHBondContact CA-OG1 3.36Å; E7-T10 PolarHBondContact O-OG1 2.85Å; E8-T10 PolarHBondContact O-N 3.29Å; T10-F13 PolarHBondContact O-N 3.01Å; T10-F14 WeakPolarHBondContact O-CD2 3.32Å; T10-F14 PolarHBondContact O-N 2.8Å
11L92.9Very high87.9Confident100 Ų100113.5 Ų113.552%0.52456%0.561SS.*Hα-helixtrans-64.6-41.1172.5-72.3174.5000112.3M3 E7 E8 F13 F14 Q15M3-L11 HydrophobicContact CE-CD1 3.66Å; M3-L11 HydrophobicContact SD-CD1 4.44Å; E7-L11 WeakPolarHBondContact O-CG 3.3Å; E7-L11 PolarHBondContact O-N 3.23Å; E8-L11 PolarHBondContact O-N 2.94Å; L11-F13 VanDerWaalsContact C-N 3.32Å; L11-F13 PolarHBondContact O-N 2.74Å; L11-F14 PolarHBondContact O-N 3.43Å; L11-Q15 PolarHBondContact O-N 2.81Å
12S92Very high89.5Confident78 Ų78104.2 Ų104.255%0.54553%0.533SS..Hα-helixtrans-59.8-41.6174.3-174.60000111.9E8 E9 Q15 Y16E8-S12 VanDerWaalsContact O-CB 3.31Å; E8-S12 WeakPolarHBondContact O-CB 3.25Å; E8-S12 PolarHBondContact O-N 3.13Å; E9-S12 PolarHBondContact O-N 3.14Å; S12-Q15 PolarHBondContact O-N 3.43Å; S12-Y16 WeakPolarHBondContact O-CB 3.4Å; S12-Y16 PolarHBondContact O-N 3.32Å
13F95.4Very high91Very high128 Ų128100.8 Ų100.856%0.56151%0.51SS*.Hα-helixtrans-62.3-45.4173.7177.2-98.2000112.7E9 T10 L11 Y16 V17E9-F13 PolarHBondContact O-N 3.43Å; T10-F13 PolarHBondContact O-N 3.01Å; L11-F13 VanDerWaalsContact C-N 3.32Å; L11-F13 PolarHBondContact O-N 2.74Å; F13-Y16 PolarHBondContact O-N 2.92Å; F13-V17 HydrophobicContact CD1-CG2 4.43Å; F13-V17 HydrophobicContact CE1-CG2 3.97Å; F13-V17 HydrophobicContact CE2-CG2 4.2Å; F13-V17 HydrophobicContact CZ-CG2 3.84Å; F13-V17 WeakPolarHBondContact O-CG2 3.25Å; F13-V17 PolarHBondContact O-N 2.97Å
14F96.1Very high92.2Very high125 Ų12598.7 Ų98.755%0.54851%0.509SS..Hα-helixtrans-62.6-44.5177-72.9-60.6000112T10 L11 Y16 V17 E18T10-F14 WeakPolarHBondContact O-CD2 3.32Å; T10-F14 PolarHBondContact O-N 2.8Å; L11-F14 PolarHBondContact O-N 3.43Å; F14-Y16 VanDerWaalsContact C-N 3.35Å; F14-Y16 PolarHBondContact O-N 2.95Å; F14-V17 PolarHBondContact O-N 3.06Å; F14-E18 PolarHBondContact O-N 3.01Å
15Q95.4Very high92.9Very high116 Ų116102.4 Ų102.454%0.54252%0.515SS..Hα-helixtrans-62.7-40.4176.3-174.9175.2-28.900111.9L11 S12 V17 E18 E19L11-Q15 PolarHBondContact O-N 2.81Å; S12-Q15 PolarHBondContact O-N 3.43Å; Q15-V17 VanDerWaalsContact C-N 3.31Å; Q15-V17 PolarHBondContact O-N 2.8Å; Q15-E18 PolarHBondContact O-N 3.09Å; Q15-E19 HydrophobicContact CG-CG 4.35Å; Q15-E19 PolarHBondContact NE2-OE1 3.4Å; Q15-E19 WeakPolarHBondContact O-CB 3.21Å; Q15-E19 WeakPolarHBondContact O-CG 3.41Å; Q15-E19 PolarHBondContact O-N 2.94Å
16Y96.6Very high93.7Very high135 Ų135103 Ų10353%0.52951%0.512SS..Hα-helixtrans-58.9-40.7174.1173.1-94.8000112.5S12 F13 F14 N20S12-Y16 WeakPolarHBondContact O-CB 3.4Å; S12-Y16 PolarHBondContact O-N 3.32Å; F13-Y16 PolarHBondContact O-N 2.92Å; F14-Y16 VanDerWaalsContact C-N 3.35Å; F14-Y16 PolarHBondContact O-N 2.95Å; Y16-N20 VanDerWaalsContact CE1-ND2 3.29Å; Y16-N20 WeakPolarHBondContact CE1-ND2 3.43Å; Y16-N20 WeakPolarHBondContact O-CB 3.05Å; Y16-N20 PolarHBondContact O-N 2.95Å; Y16-N20 PolarHBondContact OH-ND2 3.26Å; Y16-N20 VanDerWaalsContact OH-ND2 3.14Å
17V97.3Very high94.3Very high71 Ų7199 Ų9943%0.4350%0.503SS..Hα-helixtrans-67.2-46.4176.41710000111.4F13 F14 Q15 N20 G21F13-V17 HydrophobicContact CD1-CG2 4.43Å; F13-V17 HydrophobicContact CE1-CG2 3.97Å; F13-V17 HydrophobicContact CE2-CG2 4.2Å; F13-V17 HydrophobicContact CZ-CG2 3.84Å; F13-V17 WeakPolarHBondContact O-CG2 3.25Å; F13-V17 PolarHBondContact O-N 2.97Å; F14-V17 PolarHBondContact O-N 3.06Å; Q15-V17 VanDerWaalsContact C-N 3.31Å; Q15-V17 PolarHBondContact O-N 2.8Å; V17-N20 PolarHBondContact O-N 3.34Å; V17-G21 PolarHBondContact O-N 2.6Å
18E96.7Very high94.9Very high145 Ų14599.1 Ų99.168%0.67851%0.506SS*.Hα-helixtrans-59.9-47.1176.5-73.1-173.2173.500111.9F14 Q15 N20 G21 L22F14-E18 PolarHBondContact O-N 3.01Å; Q15-E18 PolarHBondContact O-N 3.09Å; E18-N20 PolarHBondContact O-N 3.21Å; E18-G21 PolarHBondContact O-N 3.47Å; E18-L22 WeakPolarHBondContact O-CB 3.39Å; E18-L22 PolarHBondContact O-N 2.76Å
19E97.2Very high95.1Very high78 Ų7896.6 Ų96.636%0.36450%0.496SS..Hα-helixtrans-62.9-39.6177.4-74.9-174.3-160.600112.6Q15 L22 R23Q15-E19 HydrophobicContact CG-CG 4.35Å; Q15-E19 PolarHBondContact NE2-OE1 3.4Å; Q15-E19 WeakPolarHBondContact O-CB 3.21Å; Q15-E19 WeakPolarHBondContact O-CG 3.41Å; Q15-E19 PolarHBondContact O-N 2.94Å; E19-L22 PolarHBondContact O-N 3.41Å; E19-R23 WeakPolarHBondContact O-CB 3.48Å; E19-R23 VanDerWaalsContact O-CG 3.29Å; E19-R23 WeakPolarHBondContact O-CG 3.33Å; E19-R23 PolarHBondContact O-N 2.9Å; E19-R23 IonicContact OE2-CZ 3.44Å; E19-R23 IonicContact OE2-NH1 3.4Å; E19-R23 PolarHBondContact OE2-NH1 3.14Å; E19-R23 IonicContact OE2-NH2 3.6Å; E19-R23 PolarHBondContact OE2-NH2 2.67Å
20N97.4Very high95.1Very high59 Ų5993 Ų9332%0.31649%0.489SS..Hα-helixtrans-66.3-40.9175.2-90.5-6.7000112.2Y16 V17 E18 L22 R23 A24Y16-N20 VanDerWaalsContact CE1-ND2 3.29Å; Y16-N20 WeakPolarHBondContact CE1-ND2 3.43Å; Y16-N20 WeakPolarHBondContact O-CB 3.05Å; Y16-N20 PolarHBondContact O-N 2.95Å; Y16-N20 PolarHBondContact OH-ND2 3.26Å; Y16-N20 VanDerWaalsContact OH-ND2 3.14Å; V17-N20 PolarHBondContact O-N 3.34Å; E18-N20 PolarHBondContact O-N 3.21Å; N20-L22 VanDerWaalsContact C-N 3.33Å; N20-L22 PolarHBondContact O-N 3.28Å; N20-R23 PolarHBondContact O-N 3.11Å; N20-R23 PolarHBondContact OD1-NE 3.19Å; N20-R23 VanDerWaalsContact OD1-NE 3.08Å; N20-R23 PolarHBondContact OD1-NH2 2.68Å; N20-A24 WeakPolarHBondContact O-CB 3.45Å; N20-A24 PolarHBondContact O-N 3.02Å
21G97.8Very high94.9Very high45 Ų4595.6 Ų95.646%0.46450%0.495SS..Hα-helixtrans-58.3-45.6172.500000111.8V17 E18 A24 Y25V17-G21 PolarHBondContact O-N 2.6Å; E18-G21 PolarHBondContact O-N 3.47Å; G21-A24 PolarHBondContact O-N 2.65Å; G21-Y25 WeakPolarHBondContact O-CB 3.4Å; G21-Y25 PolarHBondContact O-N 3.08Å
22L97.6Very high94.5Very high103 Ų10395 Ų9554%0.53949%0.493SS..Hα-helixtrans-66.9-40.3178.1-172.460.8000112.5E18 E19 N20 Y25 N26E18-L22 WeakPolarHBondContact O-CB 3.39Å; E18-L22 PolarHBondContact O-N 2.76Å; E19-L22 PolarHBondContact O-N 3.41Å; N20-L22 VanDerWaalsContact C-N 3.33Å; N20-L22 PolarHBondContact O-N 3.28Å; L22-Y25 PolarHBondContact O-N 2.9Å; L22-N26 WeakPolarHBondContact O-CB 3.39Å; L22-N26 VanDerWaalsContact O-CG 3.29Å; L22-N26 PolarHBondContact O-N 3.48Å; L22-N26 PolarHBondContact O-ND2 3.33Å; L22-N26 VanDerWaalsContact O-ND2 3.12Å
23R96.3Very high94.1Very high113 Ų11397.5 Ų97.543%0.42650%0.499SS..Hα-helixtrans-61-43.8173.4-78.5-175.9-78.6-97.62.2111.9E19 N20 S27E19-R23 WeakPolarHBondContact O-CB 3.48Å; E19-R23 VanDerWaalsContact O-CG 3.29Å; E19-R23 WeakPolarHBondContact O-CG 3.33Å; E19-R23 PolarHBondContact O-N 2.9Å; E19-R23 IonicContact OE2-CZ 3.44Å; E19-R23 IonicContact OE2-NH1 3.4Å; E19-R23 PolarHBondContact OE2-NH1 3.14Å; E19-R23 IonicContact OE2-NH2 3.6Å; E19-R23 PolarHBondContact OE2-NH2 2.67Å; N20-R23 PolarHBondContact O-N 3.11Å; N20-R23 PolarHBondContact OD1-NE 3.19Å; N20-R23 VanDerWaalsContact OD1-NE 3.08Å; N20-R23 PolarHBondContact OD1-NH2 2.68Å; R23-S27 WeakPolarHBondContact O-CB 3.4Å; R23-S27 PolarHBondContact O-N 3.1Å; R23-S27 VanDerWaalsContact O-N 3.14Å; R23-S27 PolarHBondContact O-OG 3.06Å
24A96.7Very high93.4Very high62 Ų6295.1 Ų95.151%0.51249%0.492SS..Hα-helixtrans-67-45.7177.300000112.1N20 G21 S27 L28N20-A24 WeakPolarHBondContact O-CB 3.45Å; N20-A24 PolarHBondContact O-N 3.02Å; G21-A24 PolarHBondContact O-N 2.65Å; A24-S27 WeakPolarHBondContact O-CB 3.29Å; A24-S27 PolarHBondContact O-N 3.28Å; A24-L28 PolarHBondContact O-N 3.25Å
25Y96.6Very high92.8Very high140 Ų14095.1 Ų95.155%0.54949%0.494SS..Hα-helixtrans-60.1-47177.4176.2-107.8000112.6G21 L22 S27 L28 L29G21-Y25 WeakPolarHBondContact O-CB 3.4Å; G21-Y25 PolarHBondContact O-N 3.08Å; L22-Y25 PolarHBondContact O-N 2.9Å; Y25-S27 VanDerWaalsContact C-N 3.29Å; Y25-S27 PolarHBondContact O-N 3.04Å; Y25-L28 PolarHBondContact O-N 3.36Å; Y25-L29 HydrophobicContact CD1-CD1 4.07Å; Y25-L29 HydrophobicContact CE1-CD1 3.43Å; Y25-L29 VanDerWaalsContact CE1-CD1 3.43Å; Y25-L29 HydrophobicContact CE1-CG 4.47Å; Y25-L29 HydrophobicContact CE2-CD1 4.38Å; Y25-L29 PolarHBondContact O-N 3.44Å
26N95.4Very high92Very high84 Ų8492.8 Ų92.845%0.44949%0.488SS..Hα-helixtrans-63.6-35.8177.6-74.8-32.5000112.3L22 L29 A30L22-N26 WeakPolarHBondContact O-CB 3.39Å; L22-N26 VanDerWaalsContact O-CG 3.29Å; L22-N26 PolarHBondContact O-N 3.48Å; L22-N26 PolarHBondContact O-ND2 3.33Å; L22-N26 VanDerWaalsContact O-ND2 3.12Å; N26-L29 WeakPolarHBondContact O-CB 3.4Å; N26-L29 PolarHBondContact O-N 2.85Å; N26-A30 PolarHBondContact O-N 3.03Å
27S93.2Very high91.5Very high66 Ų6693.4 Ų93.446%0.46249%0.489SS..Hα-helixtrans-65.9-42.4175.5-600000111.8R23 A24 Y25 A30 Q31R23-S27 WeakPolarHBondContact O-CB 3.4Å; R23-S27 PolarHBondContact O-N 3.1Å; R23-S27 VanDerWaalsContact O-N 3.14Å; R23-S27 PolarHBondContact O-OG 3.06Å; A24-S27 WeakPolarHBondContact O-CB 3.29Å; A24-S27 PolarHBondContact O-N 3.28Å; Y25-S27 VanDerWaalsContact C-N 3.29Å; Y25-S27 PolarHBondContact O-N 3.04Å; S27-A30 PolarHBondContact O-N 3.33Å; S27-Q31 WeakPolarHBondContact O-CG 3.37Å; S27-Q31 PolarHBondContact O-N 3.16Å
28L94.3Very high90.8Very high96 Ų9694.5 Ų94.550%0.50349%0.492SS..Hα-helixtrans-65.1-38.5174.1-177.861.7000112A24 Y25 Q31 N32A24-L28 PolarHBondContact O-N 3.25Å; Y25-L28 PolarHBondContact O-N 3.36Å; L28-Q31 PolarHBondContact O-N 3.47Å; L28-N32 WeakPolarHBondContact CD1-ND2 3.41Å; L28-N32 PolarHBondContact O-N 2.97Å; L28-N32 PolarHBondContact O-ND2 3.14Å
29L92.8Very high90.4Very high81 Ų8192.8 Ų92.842%0.42449%0.485SS..Hα-helixtrans-60.6-47.6174.2-103168.7000112Y25 N26 N32 L33Y25-L29 HydrophobicContact CD1-CD1 4.07Å; Y25-L29 HydrophobicContact CE1-CD1 3.43Å; Y25-L29 VanDerWaalsContact CE1-CD1 3.43Å; Y25-L29 HydrophobicContact CE1-CG 4.47Å; Y25-L29 HydrophobicContact CE2-CD1 4.38Å; Y25-L29 PolarHBondContact O-N 3.44Å; N26-L29 WeakPolarHBondContact O-CB 3.4Å; N26-L29 PolarHBondContact O-N 2.85Å; L29-N32 PolarHBondContact O-N 2.83Å; L29-L33 PolarHBondContact O-N 3.5Å
30A88.1Confident89.9Confident52 Ų5296.3 Ų96.343%0.4350%0.495SS..Hα-helixtrans-60-46.9176.500000111.7N26 S27 N32 L33 D34N26-A30 PolarHBondContact O-N 3.03Å; S27-A30 PolarHBondContact O-N 3.33Å; A30-N32 VanDerWaalsContact C-N 3.35Å; A30-N32 PolarHBondContact O-N 3.29Å; A30-L33 PolarHBondContact O-N 2.87Å; A30-L33 VanDerWaalsContact O-N 3.17Å; A30-D34 PolarHBondContact O-N 3.08Å
31Q88Confident89.6Confident130 Ų13097.6 Ų97.661%0.60750%0.501SS*.Hα-helixtrans-59-41.3176.8-73.4175.63.800112.8S27 L28 H35S27-Q31 WeakPolarHBondContact O-CG 3.37Å; S27-Q31 PolarHBondContact O-N 3.16Å; L28-Q31 PolarHBondContact O-N 3.47Å; Q31-H35 VanDerWaalsContact O-CB 3.23Å; Q31-H35 WeakPolarHBondContact O-CB 3.38Å; Q31-H35 PolarHBondContact O-N 2.78Å
32N83.8Confident89.2Confident88 Ų88103.9 Ų103.947%0.47151%0.511SS..Hα-helixtrans-66.6-38.4176.2-84-83.2000112.3L28 L29 A30 H35 T36L28-N32 WeakPolarHBondContact CD1-ND2 3.41Å; L28-N32 PolarHBondContact O-N 2.97Å; L28-N32 PolarHBondContact O-ND2 3.14Å; L29-N32 PolarHBondContact O-N 2.83Å; A30-N32 VanDerWaalsContact C-N 3.35Å; A30-N32 PolarHBondContact O-N 3.29Å; N32-H35 PolarHBondContact O-N 3.35Å; N32-T36 WeakPolarHBondContact O-CB 3.42Å; N32-T36 PolarHBondContact O-N 3.15Å; N32-T36 PolarHBondContact O-OG1 3.14Å
33L83.2Confident88.8Confident130 Ų130102.3 Ų102.368%0.68151%0.506SS*.Hα-helixtrans-65.1-45.7178-141.873.9000111.4L29 A30 R37L29-L33 PolarHBondContact O-N 3.5Å; A30-L33 PolarHBondContact O-N 2.87Å; A30-L33 VanDerWaalsContact O-N 3.17Å; L33-R37 WeakPolarHBondContact O-CB 3.31Å; L33-R37 PolarHBondContact O-N 2.94Å
34D80.6Confident88.6Confident78 Ų78103.2 Ų103.242%0.41751%0.513SS..Hα-helixtrans-71.4-34.9176.5-82.7-35.4000112.7A30 R37 N38A30-D34 PolarHBondContact O-N 3.08Å; D34-R37 PolarHBondContact O-N 3.06Å; D34-R37 IonicContact OD1-NH1 3.88Å; D34-N38 VanDerWaalsContact O-CB 3.23Å; D34-N38 WeakPolarHBondContact O-CB 3.35Å; D34-N38 PolarHBondContact O-N 3.37Å; D34-N38 PolarHBondContact O-ND2 3.27Å; D34-N38 VanDerWaalsContact O-ND2 3.13Å
35H83.4Confident88.4Confident126 Ų126104.7 Ų104.758%0.58351%0.512SS*.Hα-helixtrans-59.7-51.4171.7-172.884.2000110.9Q31 N32 R37 N38 E39Q31-H35 VanDerWaalsContact O-CB 3.23Å; Q31-H35 WeakPolarHBondContact O-CB 3.38Å; Q31-H35 PolarHBondContact O-N 2.78Å; N32-H35 PolarHBondContact O-N 3.35Å; H35-R37 PolarHBondContact O-N 2.91Å; H35-N38 PolarHBondContact O-N 3.48Å; H35-N38 VanDerWaalsContact O-N 3.14Å; H35-E39 WeakPolarHBondContact O-CB 3.43Å; H35-E39 PolarHBondContact O-N 3.32Å
36T79.8Confident88.1Confident66 Ų66103.7 Ų103.741%0.40551%0.512SS..Hα-helixtrans-61.7-29.6178-50.80000112.3N32 R40N32-T36 WeakPolarHBondContact O-CB 3.42Å; N32-T36 PolarHBondContact O-N 3.15Å; N32-T36 PolarHBondContact O-OG1 3.14Å; T36-R40 PolarHBondContact O-NE 3.47Å; T36-R40 PolarHBondContact O-NH2 2.98Å
37R84.6Confident87.9Confident148 Ų148104.2 Ų104.256%0.55851%0.512SS*.Hα-helixtrans-75-45.6173.7-178.1-176.6-177.4-175.50.8111.8L33 D34 H35 R40 N41L33-R37 WeakPolarHBondContact O-CB 3.31Å; L33-R37 PolarHBondContact O-N 2.94Å; D34-R37 PolarHBondContact O-N 3.06Å; D34-R37 IonicContact OD1-NH1 3.88Å; H35-R37 PolarHBondContact O-N 2.91Å; R37-R40 PolarHBondContact O-N 3.45Å; R37-N41 PolarHBondContact O-N 3.02Å; R37-N41 PolarHBondContact O-ND2 3.44Å
38N84.1Confident88Confident94 Ų94107 Ų10750%0.50352%0.516SS..Hα-helixtrans-71.8-33.2-176.4-70.8-26.5000112.3D34 H35 N41 R42D34-N38 VanDerWaalsContact O-CB 3.23Å; D34-N38 WeakPolarHBondContact O-CB 3.35Å; D34-N38 PolarHBondContact O-N 3.37Å; D34-N38 PolarHBondContact O-ND2 3.27Å; D34-N38 VanDerWaalsContact O-ND2 3.13Å; H35-N38 PolarHBondContact O-N 3.48Å; H35-N38 VanDerWaalsContact O-N 3.14Å; N38-N41 PolarHBondContact O-N 2.93Å; N38-R42 VanDerWaalsContact O-CB 3.31Å; N38-R42 WeakPolarHBondContact O-CB 3.48Å; N38-R42 PolarHBondContact O-N 2.92Å
39E86.9Confident87.9Confident110 Ų110106.8 Ų106.851%0.51452%0.515SS..Hα-helixtrans-61-47.5169.9-172.7-176-152.300111.6H35 N41 R42 T43H35-E39 WeakPolarHBondContact O-CB 3.43Å; H35-E39 PolarHBondContact O-N 3.32Å; E39-N41 VanDerWaalsContact C-N 3.32Å; E39-N41 PolarHBondContact O-N 3.4Å; E39-R42 WeakPolarHBondContact O-CB 3.47Å; E39-R42 PolarHBondContact O-N 2.89Å; E39-R42 VanDerWaalsContact O-N 3.09Å; E39-T43 PolarHBondContact O-N 3.45Å; E39-T43 PolarHBondContact O-OG1 3.45Å
40R87.6Confident88Confident152 Ų152105.9 Ų105.957%0.57451%0.509SS*.Hα-helixtrans-62.4-36.8175.8-76.9178.8-73.8152-6.1112.9T36 R37 T43 F44T36-R40 PolarHBondContact O-NE 3.47Å; T36-R40 PolarHBondContact O-NH2 2.98Å; R37-R40 PolarHBondContact O-N 3.45Å; R40-T43 PolarHBondContact O-OG1 2.89Å; R40-F44 WeakPolarHBondContact O-CB 3.5Å; R40-F44 PolarHBondContact O-N 3.39Å; R40-F44 VanDerWaalsContact O-N 3.13Å
41N90Very high88.2Confident86 Ų86108.9 Ų108.946%0.4651%0.512SS..Hα-helixtrans-66-39.6171.8-70.6-28.9000111.9R37 N38 E39 L45R37-N41 PolarHBondContact O-N 3.02Å; R37-N41 PolarHBondContact O-ND2 3.44Å; N38-N41 PolarHBondContact O-N 2.93Å; E39-N41 VanDerWaalsContact C-N 3.32Å; E39-N41 PolarHBondContact O-N 3.4Å; N41-L45 WeakPolarHBondContact O-CB 3.2Å; N41-L45 PolarHBondContact O-N 3.18Å
42R89.9Confident88.5Confident176 Ų176108.6 Ų108.666%0.66451%0.509SS*.Hα-helixtrans-66.5-44.2179.1-176.4177.5179.8-87.82112N38 E39 L45 Q46N38-R42 VanDerWaalsContact O-CB 3.31Å; N38-R42 WeakPolarHBondContact O-CB 3.48Å; N38-R42 PolarHBondContact O-N 2.92Å; E39-R42 WeakPolarHBondContact O-CB 3.47Å; E39-R42 PolarHBondContact O-N 2.89Å; E39-R42 VanDerWaalsContact O-N 3.09Å; R42-L45 PolarHBondContact O-N 3.33Å; R42-Q46 WeakPolarHBondContact O-CB 3.41Å; R42-Q46 PolarHBondContact O-N 2.94Å
43T90.4Very high88.8Confident70 Ų70109.7 Ų109.743%0.42951%0.506SS..Hα-helixtrans-67.5-41.117753.20000111.8E39 R40 L45 Q46 E47E39-T43 PolarHBondContact O-N 3.45Å; E39-T43 PolarHBondContact O-OG1 3.45Å; R40-T43 PolarHBondContact O-OG1 2.89Å; T43-L45 PolarHBondContact O-N 2.91Å; T43-Q46 PolarHBondContact O-N 2.95Å; T43-E47 WeakPolarHBondContact O-CB 3.38Å; T43-E47 PolarHBondContact O-N 3.28Å
44F91.8Very high89.2Confident133 Ų133109.2 Ų109.258%0.58350%0.499SS*.Hα-helixtrans-60.2-44.2172.3175.8-104.5000112.6R40 E47 K48R40-F44 WeakPolarHBondContact O-CB 3.5Å; R40-F44 PolarHBondContact O-N 3.39Å; R40-F44 VanDerWaalsContact O-N 3.13Å; F44-E47 PolarHBondContact O-N 3.3Å; F44-K48 WeakPolarHBondContact O-CB 3.29Å; F44-K48 PolarHBondContact O-N 3.25Å
45L91Very high89.7Confident93 Ų93111.6 Ų111.649%0.48751%0.507SS..Hα-helixtrans-67.7-36.6177.8-174.559.9000112.1N41 R42 T43 K48 N49N41-L45 WeakPolarHBondContact O-CB 3.2Å; N41-L45 PolarHBondContact O-N 3.18Å; R42-L45 PolarHBondContact O-N 3.33Å; T43-L45 PolarHBondContact O-N 2.91Å; L45-K48 HydrophobicContact CD1-CD 4.45Å; L45-K48 PolarHBondContact O-N 2.91Å; L45-N49 WeakPolarHBondContact O-CB 3.35Å; L45-N49 VanDerWaalsContact O-CG 3.22Å; L45-N49 PolarHBondContact O-N 3.17Å; L45-N49 PolarHBondContact O-ND2 3.25Å
46Q90.8Very high89.9Confident118 Ų118109.3 Ų109.355%0.55150%0.497SS*.Hα-helixtrans-63.4-44.7172.7-174.9176.1-0.700111.6R42 T43 N49 E50R42-Q46 WeakPolarHBondContact O-CB 3.41Å; R42-Q46 PolarHBondContact O-N 2.94Å; T43-Q46 PolarHBondContact O-N 2.95Å; Q46-N49 PolarHBondContact O-N 3.41Å; Q46-E50 WeakPolarHBondContact O-CB 3.41Å; Q46-E50 PolarHBondContact O-N 3.44Å
47E91.8Very high90.2Very high95 Ų95110.7 Ų110.744%0.44450%0.499SS..Hα-helixtrans-64.2-40.6176.8-160.3-142.4-169.300111.8T43 F44 E50 K51T43-E47 WeakPolarHBondContact O-CB 3.38Å; T43-E47 PolarHBondContact O-N 3.28Å; F44-E47 PolarHBondContact O-N 3.3Å; E47-E50 PolarHBondContact O-N 3.49Å; E47-K51 WeakPolarHBondContact O-CB 3.34Å; E47-K51 WeakPolarHBondContact O-CG 3.49Å; E47-K51 PolarHBondContact O-N 3.43Å; E47-K51 WeakPolarHBondContact OE1-CE 3.37Å; E47-K51 IonicContact OE1-NZ 3.78Å; E47-K51 PolarHBondContact OE1-NZ 3.49Å; E47-K51 IonicContact OE2-NZ 2.69Å; E47-K51 PolarHBondContact OE2-NZ 2.9Å
48K94.9Very high90.4Very high126 Ų126106 Ų10655%0.54849%0.491SS..Hα-helixtrans-60.4-43.4172.8-177.8-179.8177.8-178.10111.9F44 L45 K51 K52F44-K48 WeakPolarHBondContact O-CB 3.29Å; F44-K48 PolarHBondContact O-N 3.25Å; L45-K48 HydrophobicContact CD1-CD 4.45Å; L45-K48 PolarHBondContact O-N 2.91Å; K48-K51 PolarHBondContact O-N 2.91Å; K48-K52 PolarHBondContact O-N 2.71Å
49N93.2Very high90.5Very high90 Ų90106.6 Ų106.648%0.48149%0.494SS..Hα-helixtrans-69.3-36.6178.1-72.5-19.5000112.2L45 Q46 K52 R53L45-N49 WeakPolarHBondContact O-CB 3.35Å; L45-N49 VanDerWaalsContact O-CG 3.22Å; L45-N49 PolarHBondContact O-N 3.17Å; L45-N49 PolarHBondContact O-ND2 3.25Å; Q46-N49 PolarHBondContact O-N 3.41Å; N49-K52 WeakPolarHBondContact O-CB 3.5Å; N49-K52 PolarHBondContact O-N 3.39Å; N49-R53 WeakPolarHBondContact O-CB 3.43Å; N49-R53 PolarHBondContact O-N 3.38Å
50E94.1Very high90.3Very high62 Ų62107.2 Ų107.229%0.2949%0.491SS..Hα-helixtrans-67.9-38.6174.2175.258.6-16900112.1Q46 E47 R53 K54Q46-E50 WeakPolarHBondContact O-CB 3.41Å; Q46-E50 PolarHBondContact O-N 3.44Å; E47-E50 PolarHBondContact O-N 3.49Å; E50-R53 PolarHBondContact O-N 2.69Å; E50-R53 IonicContact OE1-CZ 2.76Å; E50-R53 IonicContact OE1-NE 2.69Å; E50-R53 IonicContact OE1-NH2 3.92Å; E50-R53 PolarHBondContact OE1-NH2 3.49Å; E50-R53 IonicContact OE2-CZ 3.44Å; E50-R53 IonicContact OE2-NE 3.82Å; E50-R53 PolarHBondContact OE2-NE 2.94Å; E50-R53 IonicContact OE2-NH2 3.55Å; E50-R53 PolarHBondContact OE2-NH2 2.84Å; E50-R53 VanDerWaalsContact OE2-NH2 3.15Å; E50-K54 HydrophobicContact CG-CD 4.42Å; E50-K54 WeakPolarHBondContact O-CB 3.23Å; E50-K54 PolarHBondContact O-N 3.08Å; E50-K54 WeakPolarHBondContact OE1-CE 3.42Å; E50-K54 IonicContact OE1-NZ 3.55Å; E50-K54 PolarHBondContact OE1-NZ 2.75Å
51K93.3Very high89.9Confident115 Ų115102.4 Ų102.450%0.548%0.481SS..Hα-helixtrans-61.7-43.9170.8-74.7167.7179.3169.50111.4E47 K48 K54 Q55E47-K51 WeakPolarHBondContact O-CB 3.34Å; E47-K51 WeakPolarHBondContact O-CG 3.49Å; E47-K51 PolarHBondContact O-N 3.43Å; E47-K51 WeakPolarHBondContact OE1-CE 3.37Å; E47-K51 IonicContact OE1-NZ 3.78Å; E47-K51 PolarHBondContact OE1-NZ 3.49Å; E47-K51 IonicContact OE2-NZ 2.69Å; E47-K51 PolarHBondContact OE2-NZ 2.9Å; K48-K51 PolarHBondContact O-N 2.91Å; K51-K54 PolarHBondContact O-N 2.99Å; K51-Q55 PolarHBondContact O-N 3.26Å
52K92.8Very high89.5Confident124 Ų124102.8 Ų102.854%0.53949%0.486SS..Hα-helixtrans-59.7-47.7172.4-173.3-159.8168.6-162.50111.2K48 N49 K54 Q55 E56K48-K52 PolarHBondContact O-N 2.71Å; N49-K52 WeakPolarHBondContact O-CB 3.5Å; N49-K52 PolarHBondContact O-N 3.39Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.25Å; K52-Q55 PolarHBondContact O-N 3.39Å; K52-Q55 VanDerWaalsContact O-N 3.16Å; K52-E56 IonicContact NZ-OE2 2.68Å; K52-E56 WeakPolarHBondContact O-CB 3.31Å; K52-E56 PolarHBondContact O-N 2.95Å
53R90.5Very high88.9Confident111 Ų111100.8 Ų100.842%0.41948%0.482SS..Hα-helixtrans-57.1-46.6179.9-167.5-174.869.271.18.5111.1N49 E50 E56 E57N49-R53 WeakPolarHBondContact O-CB 3.43Å; N49-R53 PolarHBondContact O-N 3.38Å; E50-R53 PolarHBondContact O-N 2.69Å; E50-R53 IonicContact OE1-CZ 2.76Å; E50-R53 IonicContact OE1-NE 2.69Å; E50-R53 IonicContact OE1-NH2 3.92Å; E50-R53 PolarHBondContact OE1-NH2 3.49Å; E50-R53 IonicContact OE2-CZ 3.44Å; E50-R53 IonicContact OE2-NE 3.82Å; E50-R53 PolarHBondContact OE2-NE 2.94Å; E50-R53 IonicContact OE2-NH2 3.55Å; E50-R53 PolarHBondContact OE2-NH2 2.84Å; E50-R53 VanDerWaalsContact OE2-NH2 3.15Å; R53-E56 PolarHBondContact O-N 3.07Å; R53-E57 IonicContact CZ-OE2 2.76Å; R53-E57 IonicContact NH1-OE2 3.13Å; R53-E57 PolarHBondContact NH1-OE2 3.44Å; R53-E57 IonicContact NH2-OE2 2.76Å; R53-E57 VanDerWaalsContact O-CB 3.24Å; R53-E57 WeakPolarHBondContact O-CB 3.34Å; R53-E57 PolarHBondContact O-N 3.14Å
54K91.6Very high88Confident120 Ų120101.2 Ų101.252%0.52249%0.485SS..Hα-helixtrans-63.1-38.4175.7-79.7169.2163.1135.70113.6E50 K51 K52 E57 A58E50-K54 HydrophobicContact CG-CD 4.42Å; E50-K54 WeakPolarHBondContact O-CB 3.23Å; E50-K54 PolarHBondContact O-N 3.08Å; E50-K54 WeakPolarHBondContact OE1-CE 3.42Å; E50-K54 IonicContact OE1-NZ 3.55Å; E50-K54 PolarHBondContact OE1-NZ 2.75Å; K51-K54 PolarHBondContact O-N 2.99Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.25Å; K54-E57 PolarHBondContact O-N 3.39Å; K54-A58 WeakPolarHBondContact O-CB 3.34Å; K54-A58 PolarHBondContact O-N 2.76Å
55Q90.5Very high86.7Confident128 Ų128100.3 Ų100.360%0.59848%0.483SS*.Hα-helixtrans-65.5-43.9173.5-173.5-177.63.400111.6K51 K52 E57 A58 I59K51-Q55 PolarHBondContact O-N 3.26Å; K52-Q55 PolarHBondContact O-N 3.39Å; K52-Q55 VanDerWaalsContact O-N 3.16Å; Q55-E57 VanDerWaalsContact C-N 3.32Å; Q55-E57 PolarHBondContact O-N 2.84Å; Q55-A58 PolarHBondContact O-N 3.38Å; Q55-I59 HydrophobicContact CG-CD1 4.03Å; Q55-I59 VanDerWaalsContact O-CG1 3.26Å; Q55-I59 WeakPolarHBondContact O-CG1 3.23Å; Q55-I59 PolarHBondContact O-N 3.06Å
56E88.6Confident85.2Confident78 Ų7899.4 Ų99.436%0.36448%0.484SS..Hα-helixtrans-67.5-32.2177.5-161.4-170103.300112.1K52 R53 R60K52-E56 IonicContact NZ-OE2 2.68Å; K52-E56 WeakPolarHBondContact O-CB 3.31Å; K52-E56 PolarHBondContact O-N 2.95Å; R53-E56 PolarHBondContact O-N 3.07Å; E56-R60 WeakPolarHBondContact O-CB 3.14Å; E56-R60 WeakPolarHBondContact O-CG 3.38Å; E56-R60 PolarHBondContact O-N 2.82Å; E56-R60 VanDerWaalsContact O-N 3.08Å; E56-R60 PolarHBondContact O-NE 3.39Å; E56-R60 IonicContact OE1-CZ 3.15Å; E56-R60 IonicContact OE1-NH1 2.83Å; E56-R60 PolarHBondContact OE1-NH1 2.97Å; E56-R60 IonicContact OE1-NH2 3.37Å; E56-R60 PolarHBondContact OE1-NH2 3.49Å
57E86.7Confident83.7Confident96 Ų96100.7 Ų100.745%0.44949%0.488SS..Hα-helixtrans-69.3-44.4171.9-167.3170.2173.800111.7R53 K54 Q55 R60 S61R53-E57 IonicContact CZ-OE2 2.76Å; R53-E57 IonicContact NH1-OE2 3.13Å; R53-E57 PolarHBondContact NH1-OE2 3.44Å; R53-E57 IonicContact NH2-OE2 2.76Å; R53-E57 VanDerWaalsContact O-CB 3.24Å; R53-E57 WeakPolarHBondContact O-CB 3.34Å; R53-E57 PolarHBondContact O-N 3.14Å; K54-E57 PolarHBondContact O-N 3.39Å; Q55-E57 VanDerWaalsContact C-N 3.32Å; Q55-E57 PolarHBondContact O-N 2.84Å; E57-R60 CarbonylContact O-C 3.6Å; E57-R60 WeakPolarHBondContact O-CB 3.48Å; E57-R60 PolarHBondContact O-N 2.98Å; E57-S61 PolarHBondContact O-N 3.12Å
58A87.5Confident82.1Confident48 Ų48104.9 Ų104.940%0.39750%0.499SS..Hα-helixtrans-66.2-37.5174.600000113.2K54 Q55 R60 S61 V62K54-A58 WeakPolarHBondContact O-CB 3.34Å; K54-A58 PolarHBondContact O-N 2.76Å; Q55-A58 PolarHBondContact O-N 3.38Å; A58-R60 VanDerWaalsContact C-N 3.3Å; A58-R60 PolarHBondContact O-N 2.93Å; A58-S61 PolarHBondContact O-N 2.86Å; A58-S61 PolarHBondContact O-OG 2.84Å; A58-S61 VanDerWaalsContact O-OG 3.04Å; A58-V62 WeakPolarHBondContact O-CG2 3.4Å; A58-V62 PolarHBondContact O-N 3.49Å
59I86.3Confident80.3Confident108 Ų108103.2 Ų103.255%0.55450%0.5SS*.Hα-helixtrans-65.2-36.7172.7-69.3164.8000110.4Q55 K63Q55-I59 HydrophobicContact CG-CD1 4.03Å; Q55-I59 VanDerWaalsContact O-CG1 3.26Å; Q55-I59 WeakPolarHBondContact O-CG1 3.23Å; Q55-I59 PolarHBondContact O-N 3.06Å; I59-K63 WeakPolarHBondContact O-CB 3.48Å; I59-K63 PolarHBondContact O-N 3.43Å; I59-K63 VanDerWaalsContact O-N 3.09Å
60R83.3Confident78.4Confident122 Ų122101.7 Ų101.746%0.4651%0.506SS..Hα-helixtrans-69.2-42.1173.1-81.4-179.7-69.7-128-8.8112.7E56 E57 A58 K63 T64E56-R60 WeakPolarHBondContact O-CB 3.14Å; E56-R60 WeakPolarHBondContact O-CG 3.38Å; E56-R60 PolarHBondContact O-N 2.82Å; E56-R60 VanDerWaalsContact O-N 3.08Å; E56-R60 PolarHBondContact O-NE 3.39Å; E56-R60 IonicContact OE1-CZ 3.15Å; E56-R60 IonicContact OE1-NH1 2.83Å; E56-R60 PolarHBondContact OE1-NH1 2.97Å; E56-R60 IonicContact OE1-NH2 3.37Å; E56-R60 PolarHBondContact OE1-NH2 3.49Å; E57-R60 CarbonylContact O-C 3.6Å; E57-R60 WeakPolarHBondContact O-CB 3.48Å; E57-R60 PolarHBondContact O-N 2.98Å; A58-R60 VanDerWaalsContact C-N 3.3Å; A58-R60 PolarHBondContact O-N 2.93Å; R60-K63 PolarHBondContact O-N 3.05Å; R60-T64 WeakPolarHBondContact O-CB 3.48Å; R60-T64 PolarHBondContact O-N 2.72Å; R60-T64 PolarHBondContact O-OG1 2.97Å
61S79.6Confident76.3Confident51 Ų51106.3 Ų106.336%0.35753%0.527SS..Hα-helixtrans-63.3-48.4178.969.80000111E57 A58 K63 T64 E65E57-S61 PolarHBondContact O-N 3.12Å; A58-S61 PolarHBondContact O-N 2.86Å; A58-S61 PolarHBondContact O-OG 2.84Å; A58-S61 VanDerWaalsContact O-OG 3.04Å; S61-K63 VanDerWaalsContact C-N 3.29Å; S61-K63 PolarHBondContact O-N 3.43Å; S61-T64 PolarHBondContact O-N 2.98Å; S61-E65 WeakPolarHBondContact O-CB 3.13Å; S61-E65 WeakPolarHBondContact O-CG 3.38Å; S61-E65 PolarHBondContact O-N 3.17Å
62V80.3Confident74.1Confident94 Ų94108.1 Ų108.157%0.5754%0.543SS*.Hα-helixtrans-58.3-40.7174.9171.80000111.4A58 S66A58-V62 WeakPolarHBondContact O-CG2 3.4Å; A58-V62 PolarHBondContact O-N 3.49Å; V62-S66 WeakPolarHBondContact O-CB 3.48Å; V62-S66 PolarHBondContact O-N 3.39Å; V62-S66 PolarHBondContact O-OG 3.02Å
63K77.2Confident72.1Confident134 Ų134108.3 Ų108.358%0.58355%0.548SS*.Hα-helixtrans-65.6-40.1175.1-173.3173.6-179.61790112.4I59 R60 S61 S66 F67I59-K63 WeakPolarHBondContact O-CB 3.48Å; I59-K63 PolarHBondContact O-N 3.43Å; I59-K63 VanDerWaalsContact O-N 3.09Å; R60-K63 PolarHBondContact O-N 3.05Å; S61-K63 VanDerWaalsContact C-N 3.29Å; S61-K63 PolarHBondContact O-N 3.43Å; K63-S66 WeakPolarHBondContact CA-OG 3.29Å; K63-S66 PolarHBondContact O-N 3.32Å; K63-S66 PolarHBondContact O-OG 3.23Å; K63-F67 HydrophobicContact CG-CD2 4.4Å; K63-F67 WeakPolarHBondContact O-CD2 3.44Å; K63-F67 PolarHBondContact O-N 3.47Å; K63-F67 VanDerWaalsContact O-N 3.15Å
64T72.4Confident70.2Confident79 Ų79107.6 Ų107.649%0.48557%0.566SS.*Hα-helixtrans-70.9-38178.3-59.80000111.9R60 S61 F67 R68R60-T64 WeakPolarHBondContact O-CB 3.48Å; R60-T64 PolarHBondContact O-N 2.72Å; R60-T64 PolarHBondContact O-OG1 2.97Å; S61-T64 PolarHBondContact O-N 2.98Å; T64-F67 PolarHBondContact O-N 2.69Å; T64-R68 PolarHBondContact O-N 2.75Å
65E63.9Low68.3Low115 Ų115107.5 Ų107.554%0.53758%0.576SS.*Hα-helixtrans-64.4-44172.4-73167.6179.700110.7S61 F67 R68 T69S61-E65 WeakPolarHBondContact O-CB 3.13Å; S61-E65 WeakPolarHBondContact O-CG 3.38Å; S61-E65 PolarHBondContact O-N 3.17Å; E65-F67 PolarHBondContact O-N 2.83Å; E65-R68 PolarHBondContact O-N 2.89Å; E65-T69 WeakPolarHBondContact O-CB 3.48Å; E65-T69 PolarHBondContact O-N 2.9Å; E65-T69 PolarHBondContact O-OG1 3.03Å
66S60.2Low66.2Low73 Ų73111 Ų11151%0.5159%0.592SS.*Hα-helixtrans-63.9-25.9175.867.90000113.9V62 K63 G70V62-S66 WeakPolarHBondContact O-CB 3.48Å; V62-S66 PolarHBondContact O-N 3.39Å; V62-S66 PolarHBondContact O-OG 3.02Å; K63-S66 WeakPolarHBondContact CA-OG 3.29Å; K63-S66 PolarHBondContact O-N 3.32Å; K63-S66 PolarHBondContact O-OG 3.23Å; S66-G70 PolarHBondContact O-N 3.41Å
67F58.7Low64.3Low146 Ų146110.3 Ų110.364%0.6461%0.605SS**Hα-helixtrans-76.4-46.6171.4-95.8-99.3000111.6K63 T64 E65 T69 G70K63-F67 HydrophobicContact CG-CD2 4.4Å; K63-F67 WeakPolarHBondContact O-CD2 3.44Å; K63-F67 PolarHBondContact O-N 3.47Å; K63-F67 VanDerWaalsContact O-N 3.15Å; T64-F67 PolarHBondContact O-N 2.69Å; E65-F67 PolarHBondContact O-N 2.83Å; F67-T69 PolarHBondContact O-N 3.32Å; F67-G70 WeakPolarHBondContact O-CA 3.44Å; F67-G70 PolarHBondContact O-N 3.15Å
68R59.7Low62.5Low182 Ų182115.3 Ų115.369%0.68763%0.626SS**Hα-helixtrans-63.4-37.8178.1-74.1178.8175.1-88.2-0.2113.2T64 E65 G70T64-R68 PolarHBondContact O-N 2.75Å; E65-R68 PolarHBondContact O-N 2.89Å; R68-G70 PolarHBondContact O-N 3.26Å
69T55.5Low60.5Low91 Ų91122.4 Ų122.456%0.55865%0.65SS**THydrogen-bonded Turntrans-73.1-13.3174.5-47.30000112.3E65 F67E65-T69 WeakPolarHBondContact O-CB 3.48Å; E65-T69 PolarHBondContact O-N 2.9Å; E65-T69 PolarHBondContact O-OG1 3.03Å; F67-T69 PolarHBondContact O-N 3.32Å
70G53.1Low58.6Low58 Ų58125.3 Ų125.360%0.59867%0.666SS**THydrogen-bonded Turntrans-83-14.1177.400000114.9S66 F67 R68S66-G70 PolarHBondContact O-N 3.41Å; F67-G70 WeakPolarHBondContact O-CA 3.44Å; F67-G70 PolarHBondContact O-N 3.15Å; R68-G70 PolarHBondContact O-N 3.26Å
71E50.7Low56.8Low160 Ų160130.8 Ų130.875%0.74869%0.687SS**SBendtrans-88.7-18.6-178.4-66.8179.5125.800113.1
72D47.4Very low55Low153 Ų153136.8 Ų136.882%0.81871%0.711SS**SBendtrans-111.912.9-168.2-143.112.5000114.1
73I50.6Low53.2Low127 Ų127135.6 Ų135.665%0.65172%0.717SS**  trans-127.964.3173.9-47.5-177.7000109.7T75I73-T75 VanDerWaalsContact C-N 3.31Å; I73-T75 PolarHBondContact O-N 3.09Å
74A51.4Low51.5Low97 Ų97134.7 Ų134.780%0.80273%0.728SS**  trans-89.620.2179.800000114.2
75T51.9Low49.8Very low118 Ų118139 Ų13972%0.72475%0.746SS**SBendtrans-133.2117.9176.753.20000113I73I73-T75 VanDerWaalsContact C-N 3.31Å; I73-T75 PolarHBondContact O-N 3.09Å
76E44.4Very low48.6Very low202 Ų202139.9 Ų139.994%0.94476%0.76SS**  trans57.3110.5151.1-163.7173.6-167.100119.8
77G49.8Very low47.6Very low62 Ų62144.4 Ų144.464%0.63978%0.775SS**  trans137.9110.3141.400000118.2
78K49.5Very low46.7Very low202 Ų202142.9 Ų142.988%0.87878%0.78SS**  trans64.794.6145.4-58.2159.9-170.4167.40116.6L80K78-L80 PolarHBondContact O-N 2.87Å; K78-L80 VanDerWaalsContact O-N 3.14Å
79H45Very low45.3Very low196 Ų196141.6 Ų141.691%0.90778%0.782SS**  trans-48.7114161.7-110.860000111.8
80L45.5Very low44.7Very low169 Ų169143 Ų14389%0.88579%0.792SS**  trans-94.6115.2161-75.3178.5000109.4K78 M82K78-L80 PolarHBondContact O-N 2.87Å; K78-L80 VanDerWaalsContact O-N 3.14Å; L80-M82 PolarHBondContact O-N 2.95Å
81R45.5Very low43.7Very low238 Ų238147.6 Ų147.690%0.89880%0.798SS**  trans-68.7119.8-172.3-170.2-177.2-165.5-173.55.6111G83R81-G83 PolarHBondContact O-N 3.14Å; R81-G83 VanDerWaalsContact O-N 3.14Å
82M43.2Very low42.9Very low177 Ų177146.3 Ų146.387%0.87279%0.792SS**  trans-56.8117167.1-81-65-65.900110.1L80 S84L80-M82 PolarHBondContact O-N 2.95Å; M82-S84 PolarHBondContact O-N 3.37Å
83G42Very low42.2Very low68 Ų68148.7 Ų148.770%0.70179%0.789SS**  trans-85.894.5-171.900000113.6R81R81-G83 PolarHBondContact O-N 3.14Å; R81-G83 VanDerWaalsContact O-N 3.14Å
84S41Very low41.2Very low115 Ų115150.3 Ų150.380%0.80480%0.796SS**  trans-82.2107.5161.556.50000109.8M82M82-S84 PolarHBondContact O-N 3.37Å
85I37.3Very low41Very low169 Ų169151.5 Ų151.587%0.86780%0.796SS**PPolyproline II helixtrans-101.6122.3175.849172.3000111.4
86T38.4Very low40.1Very low135 Ų135152.6 Ų152.683%0.82880%0.796SS**PPolyproline II helixtrans-97.9150.9174.6-570000109.9
87M38.4Very low40.5Very low168 Ų168147.8 Ų147.883%0.82878%0.783SS**PPolyproline II helixtrans-66.4150.4-178.9-69.7-63.5-58.900114.2
88P40.6Very low39.7Very low114 Ų114152.5 Ų152.574%0.7479%0.788SS**  trans-104.5174.2152.836.1-27.9000113
89E29.8Very low38.9Very low155 Ų155149.5 Ų149.572%0.72478%0.781SS**  trans-112.1152.7-158.2-175.7-176.2142.100113.9Q91E89-Q91 PolarHBondContact OE1-NE2 2.8Å
90P42.4Very low38.3Very low120 Ų120147 Ų14778%0.77977%0.769SS**  trans-106.1124.6179.536.6-28.8000115.2
91Q32.3Very low37.5Very low154 Ų154141.1 Ų141.172%0.7274%0.74SS**  trans-135115.7162.4-61-177.214.300107.2E89E89-Q91 PolarHBondContact OE1-NE2 2.8Å
92E34.2Very low37.2Very low133 Ų133135.1 Ų135.162%0.62173%0.725SS**  99.396.378.8-167.6-150-175.700112.3
93R33.7Very low36.6Very low203 Ų203130.2 Ų130.277%0.76671%0.713SS**  trans176.6161.9136.2-95.2153.9-1637514.9113.7
94M28.9Very low36.3Very low162 Ų162133.7 Ų133.780%0.79872%0.724SS**  trans-135.6174.5-178.6-94.3-81.9-169.200107.1L96M94-L96 HydrophobicContact SD-CD1 4.29Å
95P46.2Very low35.9Very low121 Ų121131.5 Ų131.579%0.78672%0.72SS**  cis-141-169.222.341-19000118.1
96L34.7Very low35.8Very low141 Ų141132.4 Ų132.474%0.73872%0.721SS**  trans-61.7-177.6177.6-108.272.6000116.7M94M94-L96 HydrophobicContact SD-CD1 4.29Å
97P51.9Low35.6Very low101 Ų101129.6 Ų129.666%0.65672%0.718SS**  cis-145.6-17628.944.1-23.5000121.1
98H33Very low35.5Very low161 Ų161132.1 Ų132.175%0.74573%0.725SS**  trans86.1162.2161.2-76.418.9000119.7
99L32.9Very low35.3Very low140 Ų140132.5 Ų132.573%0.73373%0.73SS**  cis-177.9173.5-32.1-96.5-156.2000108.6
100H32.6Very low36Very low143 Ų143131.6 Ų131.666%0.66274%0.735SS**  cis-174.9122.4-14.4166.5-98000114.9
101T28.8Very low35.6Very low46 Ų46136.1 Ų136.128%0.28274%0.737SS.*  trans68.6111.4144.3-59.60000124.9P508 P509T101-P508 WeakPolarHBondContact CA-O 3.47Å; T101-P508 HydrophobicContact CG2-CG 3.84Å; T101-P508 PolarHBondContact N-O 2.8Å; T101-P508 WeakPolarHBondContact OG1-CD 3.37Å; T101-P508 WeakPolarHBondContact OG1-CG 3.43Å; T101-P509 CarbonylContact C-O 3.57Å
102I39.5Very low35.8Very low112 Ų112133.9 Ų133.957%0.57474%0.738SS**  -168.4177123.9-107.4173.3000111.8P508 P509I102-P508 WeakPolarHBondContact O-CB 3.33Å; I102-P509 CarbonylContact C-O 3.55Å; I102-P509 PolarHBondContact N-O 3.07Å; I102-P509 WeakPolarHBondContact O-CD 3.26Å; I102-P509 WeakPolarHBondContact O-CG 3.37Å
103A30.6Very low36.1Very low74 Ų74135.4 Ų135.461%0.61275%0.745SS**  trans-130.5-172.6-169.300000116.3
104C34.9Very low36.2Very low140 Ų140130.2 Ų130.295%0.94674%0.74SS**  trans86.3147.4160.9-60.40000121.4
105G32.6Very low37Very low69 Ų69130.3 Ų130.371%0.71174%0.743SS**  trans136.3128.2144.800000120.8
106Q35.4Very low36.7Very low189 Ų189132.9 Ų132.988%0.88374%0.744SS**  trans43.6121.8142.7-98.466.4-13.300124.1
107G34.2Very low37.1Very low75 Ų75131.6 Ų131.677%0.77375%0.747SS**  78.5106.4104.100000120.9
108F35.9Very low36.5Very low221 Ų221134.3 Ų134.397%0.96976%0.761SS**  trans-85.1143161.7-80.2-92.9000112.1
109S35.8Very low36.6Very low122 Ų122130.5 Ų130.585%0.85377%0.765SS**  trans-143.5154.9164.7-170.90000110.7
110V44.3Very low36.7Very low137 Ų137127.9 Ų127.983%0.8377%0.773SS**  trans-109.1128-170.31780000111
111R34.9Very low37Very low214 Ų214124.5 Ų124.581%0.80878%0.776SS**  trans-151.6131.8158-161.4174-177.696.6-2111.2
112S37.1Very low37.3Very low108 Ų108129 Ų12976%0.75580%0.798SS**  trans-123.8123.4175.146.10000110.3
113Q40.7Very low37.4Very low165 Ų165130.3 Ų130.377%0.77181%0.807SS**  trans-151.9131.5164.9-72.9-168.8-15.900109.2
114S34.1Very low37.9Very low94 Ų94135 Ų13566%0.65782%0.816SS**  trans-165.3149.6135-164.80000109.4
115L46.2Very low38.2Very low163 Ų163137 Ų13785%0.85381%0.811SS**  trans-115.8149.9171.8-67.4169.3000107.9
116H39.8Very low38.6Very low175 Ų175139.9 Ų139.981%0.8182%0.815SS**  trans-133.2120.9169.8-6699.7000109.9
117S43Very low38.6Very low115 Ų115134.3 Ų134.380%0.80481%0.808SS**  trans-98.3138.9171.5-57.30000109.8
118V39.4Very low38.7Very low158 Ų158136.6 Ų136.696%0.95881%0.812SS**  trans-157.4140.2144.9-96.20000108.2
119G35.8Very low39.1Very low80 Ų80131.2 Ų131.283%0.82580%0.8SS**  trans16679.1-176.800000110
120G35.8Very low39.3Very low86 Ų86131.7 Ų131.789%0.88780%0.797SS**  trans-76155.4170.600000110.8
121G37.2Very low39.2Very low71 Ų71131.3 Ų131.373%0.73280%0.801SS**  trans-160.3133.3177.100000112
122N36.6Very low39.8Very low140 Ų140132.2 Ų132.275%0.74980%0.804SS**  trans-178.9147.5164.451.3-28.3000107.9
123D41Very low40.2Very low141 Ų141137.1 Ų137.175%0.75481%0.812SS**  cis-158.1161.4-21.3-93.6-32.6000107.7
124E41.9Very low40.8Very low173 Ų173138.1 Ų138.181%0.80882%0.817SS**  trans31.9113.8159.9-52.9-55.88900121.5
125E40Very low41.7Very low181 Ų181138.9 Ų138.985%0.84682%0.819SS**  -174.5154.7104.3-119.3-161.9118.700114.7
126V42.2Very low42.2Very low129 Ų129136.8 Ų136.878%0.78282%0.816SS**  trans34101.6164.2-163.50000119.6
127G35.1Very low43.1Very low72 Ų72134.3 Ų134.374%0.74282%0.815SS**  trans164.896.3159.100000116.6
128S35.3Very low43.7Very low124 Ų124138.1 Ų138.187%0.86782%0.817SS**  trans-150.1158.7174.2-94.80000110.7
129P45.7Very low44.7Very low108 Ų108136.7 Ų136.770%0.70181%0.811SS**  cis-137.4172.52643.5-26.8000117.8
130T38.4Very low46Very low131 Ų131141 Ų14180%0.80480%0.802SS**  trans17.7137.614862.90000122
131S42.7Very low47.7Very low130 Ų130145.9 Ų145.991%0.90979%0.794SS**  -161161.5112.3-163.10000113.1
132R47.7Very low48.8Very low233 Ų233148.5 Ų148.588%0.87979%0.791SS**  trans-128.198.7-164.4-173.3-174.7-173.5-160.25.6111.9
133K46.3Very low50.1Low211 Ų211147.6 Ų147.692%0.91779%0.793SS**  trans27.397.7163-66.1179.5179.6174.90117.3
134Q53.6Low50.7Low186 Ų186145.4 Ų145.487%0.86979%0.794SS**PPolyproline II helixtrans-88.9156.9155.6-80.5-168.5-2.300111.8
135P51.2Low51.4Low109 Ų109140.9 Ų140.971%0.70878%0.779SS**PPolyproline II helixtrans-74.6155.1172.632.2-35.6000112.2
136P58.4Low52.3Low120 Ų120141.7 Ų141.778%0.77978%0.779SS**PPolyproline II helixtrans-70.2146.5-178.829-35.2000112.8
137P57.7Low52.9Low123 Ų123142.5 Ų142.580%0.79978%0.778SS**PPolyproline II helixtrans-73.8160.2-178.630.8-35.9000113.3
138K55.3Low53.9Low195 Ų195145.1 Ų145.185%0.84879%0.785SS**PPolyproline II helixtrans-73.1142.1174.1-63.1175.1-178.8174.40110.5
139P61.2Low54.1Low127 Ų127147.3 Ų147.383%0.82578%0.784SS**PPolyproline II helixtrans-65.3137.3175.226.9-33.8000111.7
140R62.7Low53.9Low171 Ų171147.3 Ų147.365%0.64579%0.787SS**PPolyproline II helixtrans-75.2150.7167.8-76166.286.3155.5-1.1109.3E566R140-E566 IonicContact CZ-OE2 3.26Å; R140-E566 VanDerWaalsContact CZ-OE2 3.26Å; R140-E566 IonicContact NH1-OE2 2.67Å; R140-E566 PolarHBondContact NH1-OE2 3.13Å; R140-E566 IonicContact NH2-OE1 3.14Å; R140-E566 PolarHBondContact NH2-OE1 3.28Å; R140-E566 VanDerWaalsContact NH2-OE1 3.14Å; R140-E566 IonicContact NH2-OE2 2.9Å; R140-E566 PolarHBondContact NH2-OE2 2.69Å
141R72.4Confident54.1Low189 Ų189146 Ų14671%0.71378%0.783SS**PPolyproline II helixtrans-95.3139.5177.2178.1177.4177.7157.4-0.5109.6T145R141-T145 PolarHBondContact NE-OG1 2.89Å
142D59Low53.9Low125 Ų125148.4 Ų148.467%0.66878%0.78SS**PPolyproline II helixtrans-71.3134.8-176.8-90.5-55000113.7A144 T145D142-A144 PolarHBondContact O-N 3.36Å; D142-A144 VanDerWaalsContact O-N 3.11Å; D142-T145 PolarHBondContact O-N 3.14Å; D142-T145 PolarHBondContact O-OG1 2.89Å
143P65.2Low53.5Low122 Ų122141.4 Ų141.479%0.79277%0.772SS**THydrogen-bonded Turntrans-60.9-17.9177.7-24.234.4000114.9T145P143-T145 PolarHBondContact O-N 3.25Å
144A52.6Low52.9Low94 Ų94137 Ų13778%0.77776%0.762SS**THydrogen-bonded Turntrans-67.7-11.8179.200000113.8D142 K146D142-A144 PolarHBondContact O-N 3.36Å; D142-A144 VanDerWaalsContact O-N 3.11Å; A144-K146 VanDerWaalsContact C-N 3.28Å; A144-K146 PolarHBondContact O-N 3.13Å
145T57.1Low51.8Low78 Ų78134.4 Ų134.448%0.47975%0.754SS.*  trans-78.169.7174.149.70000113.1R141 D142 P143R141-T145 PolarHBondContact NE-OG1 2.89Å; D142-T145 PolarHBondContact O-N 3.14Å; D142-T145 PolarHBondContact O-OG1 2.89Å; P143-T145 PolarHBondContact O-N 3.25Å
146K57.9Low51.2Low198 Ų198138 Ų13886%0.86176%0.761SS**PPolyproline II helixtrans-74.4132.9158.8-79.2-166.4174.1-174.80109.9A144A144-K146 VanDerWaalsContact C-N 3.28Å; A144-K146 PolarHBondContact O-N 3.13Å
147L55.9Low49.7Very low146 Ų146137.2 Ų137.276%0.76476%0.758SS**PPolyproline II helixtrans-80.3148.9175.7-63.3169.4000109.9
148S56.6Low48.6Very low127 Ų127136.3 Ų136.389%0.88876%0.762SS**PPolyproline II helixtrans-64.1142.9-179-45.20000112.6
149M39.3Very low47.6Very low170 Ų170134.8 Ų134.884%0.83776%0.76SS**  trans-145.7115165.359.6-162.2-57.800112.7
150S40.5Very low46.1Very low108 Ų108134.5 Ų134.576%0.75576%0.761SS**  trans45.7109.8138.3-48.60000121.6
151S42.6Very low44.6Very low104 Ų104131.8 Ų131.873%0.72776%0.763SS**  49.2130.4123.464.20000122.5
152E39.5Very low42.5Very low181 Ų181129.2 Ų129.285%0.84677%0.772SS**  139.6114.8110.8-162152.1-173.300116.9
153A37.7Very low40.9Very low86 Ų86135 Ų13571%0.71179%0.785SS**  trans70.9162.7144.200000124.6
154V35.4Very low39.1Very low118 Ų118132.9 Ų132.972%0.71579%0.786SS**  trans80.1100.7162.7-165.70000119.1
155D30.4Very low37.9Very low131 Ų131137.9 Ų137.970%0.70179%0.793SS**  trans39.4139132.6-55.8-39.2000120.7
156H37Very low36.6Very low185 Ų185144.7 Ų144.786%0.85681%0.81SS**  -141.4163.554.6-80.357.5000115.4
157S28.8Very low35.4Very low103 Ų103140.5 Ų140.572%0.7280%0.804SS**  trans-93.2155.6-170.657.40000114.9
158A33.5Very low34.1Very low105 Ų105140.4 Ų140.487%0.86880%0.804SS**  trans-133.6124.9144.100000107.3
159M34Very low32.9Very low163 Ų163137 Ų13780%0.80379%0.79SS**  trans-90.2137.7-170.8-67.8165.757.100112.2
160S31Very low32.8Very low121 Ų121138.1 Ų138.185%0.84679%0.786SS**  trans-145.597.3146.8-174.80000109.8
161T31.1Very low32.4Very low114 Ų114140.3 Ų140.370%0.69978%0.782SS**  trans-69.2140.5171.351.40000110.8
162C27.5Very low32.1Very low134 Ų134142.9 Ų142.991%0.90578%0.78SS**  trans-149149.7142-121.10000111.3
163R25.7Very low32.1Very low246 Ų246139.1 Ų139.193%0.92877%0.765SS**  trans-74.2150.4-175.9-57.7173.7-173-85.70.8109.7
164G27.4Very low31.9Very low79 Ų79143.1 Ų143.181%0.81476%0.763SS**  trans-86.5168.1171.700000112.5
165E27.3Very low32Very low198 Ų198145.8 Ų145.893%0.92577%0.769SS**  trans-141.5175.4170.4-132.6160.1-162.200110.7
166R30.5Very low32.2Very low222 Ų222147.8 Ų147.884%0.83877%0.772SS**  trans-108.4-177.4-176.7-64.7175.8-68.3-109.4-6.6110
167C31.3Very low32.3Very low109 Ų109146.9 Ų146.974%0.73677%0.773SS**  trans72.1144.1166.3-66.60000113.9
168D28.9Very low32.7Very low144 Ų144148.8 Ų148.877%0.7777%0.774SS**  cis-141.8171.3-7.2-86.5-41.9000107.7
169G32.5Very low33.1Very low56 Ų56148.6 Ų148.658%0.57776%0.763SS**  cis151.8172.80.900000109.7
170Y35.9Very low33.2Very low194 Ų194148.8 Ų148.876%0.76177%0.767SS**  trans66.4120.1169.9-69.3-102.1000115.8
171K33.4Very low33.4Very low154 Ų154149.7 Ų149.767%0.6776%0.761SS**  67.614078-71.7-174.4175.3176.40112.4
172F35Very low33.5Very low158 Ų158150.3 Ų150.369%0.69377%0.765SS**  cis-157.4161.921.7-135.6-169.2000114
173I38.7Very low33.8Very low101 Ų101154.3 Ų154.352%0.51876%0.762SS.*  trans15.4142158.734.1172.7000121.2
174Y34.3Very low34.4Very low171 Ų171145.9 Ų145.967%0.67175%0.752SS**  -147.712660.6-103.5-87.2000116.2K176Y174-K176 HydrophobicContact CD1-CG 4.12Å; Y174-K176 HydrophobicContact CE1-CG 4.11Å
175M37.8Very low34.8Very low174 Ų174148.2 Ų148.286%0.85775%0.751SS**  trans-131105.1153-88.4-73.2108.700107.6L177M175-L177 PolarHBondContact O-N 3.41Å
176K33.4Very low35.5Very low172 Ų172147 Ų14775%0.74875%0.75SS**  trans-76.489.1173.4-96.4-174.9174.7-179.80109.2Y174Y174-K176 HydrophobicContact CD1-CG 4.12Å; Y174-K176 HydrophobicContact CE1-CG 4.11Å
177L40.7Very low35.9Very low167 Ų167142 Ų14287%0.87475%0.745SS**  trans-80.6135.4154.5-152.978.1000107.7M175M175-L177 PolarHBondContact O-N 3.41Å
178L35.8Very low36.2Very low143 Ų143144.8 Ų144.875%0.74975%0.749SS**  trans-124.7153.4171.2-80.6176.8000109.7
179P43.3Very low36.5Very low100 Ų100145.9 Ų145.965%0.64975%0.754SS**PPolyproline II helixtrans-88148.2-149.632.8-36.5000114.1
180L35.8Very low36.7Very low168 Ų168148.3 Ų148.388%0.8875%0.752SS**PPolyproline II helixtrans-74.5123.8150.6-91.276.4000108.2
181I35Very low36.4Very low140 Ų140144.5 Ų144.572%0.71876%0.755SS**PPolyproline II helixtrans-79.4129.9169.1-65.9173.1000108.2Y183I181-Y183 HydrophobicContact CG2-CD2 4.15Å; I181-Y183 HydrophobicContact CG2-CE2 4.09Å
182T33.2Very low36.3Very low127 Ų127146.7 Ų146.778%0.77976%0.76SS**PPolyproline II helixtrans-89.9118.7176-57.10000110.5
183Y32.9Very low36.5Very low218 Ų218144.5 Ų144.586%0.85576%0.762SS**  trans-110.5122.5152.2-85-81.8000108.2I181I181-Y183 HydrophobicContact CG2-CD2 4.15Å; I181-Y183 HydrophobicContact CG2-CE2 4.09Å
184G38.6Very low36.2Very low69 Ų69147.4 Ų147.471%0.71178%0.778SS**  trans-90.7131.6-170.300000113.5
185T36.3Very low36.1Very low128 Ų128147.8 Ų147.879%0.78578%0.783SS**  trans-129.7144.4151.950.60000108.7T187T185-T187 PolarHBondContact O-N 3.01Å
186N41.3Very low35.7Very low172 Ų172143.4 Ų143.492%0.9277%0.77SS**  trans-75.8119.2177.2-76.7-76.3000109.8
187T39.6Very low35.7Very low118 Ų118143.1 Ų143.172%0.72477%0.771SS**  trans-124.1113.6164.448.80000110.2T185 L189T185-T187 PolarHBondContact O-N 3.01Å; T187-L189 PolarHBondContact O-N 3.34Å
188M38.6Very low35.2Very low167 Ų167142.6 Ų142.682%0.82376%0.764SS**  trans-69.2120.8170.9179.2-153.2-115.300108.5I190M188-I190 HydrophobicContact CG-CG1 4.4Å; M188-I190 HydrophobicContact SD-CD1 4.26Å; M188-I190 HydrophobicContact SD-CG1 3.79Å
189L35.3Very low35Very low167 Ų167143 Ų14387%0.87476%0.762SS**  trans-102.6115.8165.9-82.9177000110.8T187T187-L189 PolarHBondContact O-N 3.34Å
190I35.3Very low34.5Very low106 Ų106148.3 Ų148.354%0.54478%0.775SS.*PPolyproline II helixtrans-75.4130.5-177.7-68163.9000109.7M188 Y192M188-I190 HydrophobicContact CG-CG1 4.4Å; M188-I190 HydrophobicContact SD-CD1 4.26Å; M188-I190 HydrophobicContact SD-CG1 3.79Å; I190-Y192 HydrophobicContact CB-CE2 4.45Å; I190-Y192 HydrophobicContact CG2-CD2 4.38Å; I190-Y192 HydrophobicContact CG2-CE2 4.11Å; I190-Y192 PolarHBondContact O-N 3.02Å
191S30.6Very low34.1Very low115 Ų115143.8 Ų143.880%0.80477%0.769SS**PPolyproline II helixtrans-69.5117167.7-640000110.6
192Y30.6Very low33.7Very low200 Ų200141 Ų14178%0.78478%0.775SS**PPolyproline II helixtrans-91.6122.3165-79.5-82.7000110.1I190I190-Y192 HydrophobicContact CB-CE2 4.45Å; I190-Y192 HydrophobicContact CG2-CD2 4.38Å; I190-Y192 HydrophobicContact CG2-CE2 4.11Å; I190-Y192 PolarHBondContact O-N 3.02Å
193P40.2Very low33.7Very low112 Ų112139.8 Ų139.873%0.72778%0.778SS**PPolyproline II helixtrans-78.9137.6-175.231.1-34.5000111.9
194N31.6Very low33.6Very low162 Ų162135.6 Ų135.687%0.86678%0.779SS**PPolyproline II helixtrans-98.9124161.1-107.7-88.8000109.6
195K32.5Very low33.1Very low179 Ų179140.5 Ų140.578%0.77878%0.783SS**  trans-118.4125.1162.3-74-171.5175.5-173.10106.1
196S29.7Very low33.4Very low81 Ų81143 Ų14357%0.56679%0.79SS**  67.2144.459.581.80000112.3
197E33.8Very low33.1Very low166 Ų166142.6 Ų142.678%0.77678%0.783SS**  cis-105.6-152.9-7.3-62.776.4-129.900110
198Q28.7Very low32.5Very low157 Ų157140 Ų14073%0.73478%0.779SS**  cis-148.7110.2-1.3-175.4167.122.400113.5
199E32.7Very low32.3Very low151 Ų151136.9 Ų136.971%0.70677%0.773SS**  51.8131.6119.4-154-157.6165.800122.8
200K31.4Very low31.8Very low211 Ų211135 Ų13592%0.91776%0.763SS**  -154.6132.5125.1-118.1169-173.2173.30112
201G27.6Very low32.3Very low73 Ų73137.3 Ų137.375%0.75377%0.772SS**  trans-75.9164.5-162.200000117.2
202G26.4Very low32.9Very low82 Ų82136.6 Ų136.685%0.84576%0.759SS**  trans-172.765178.500000111.5
203A33.1Very low33.8Very low102 Ų102132.6 Ų132.684%0.84376%0.759SS**  trans-72.9138.2-176.900000112.4
204C31.6Very low34.1Very low129 Ų129136.8 Ų136.887%0.87276%0.76SS**  trans-140.1149.1163.4-87.50000109.2
205Q29.1Very low35.3Very low172 Ų172140.6 Ų140.680%0.80476%0.762SS**  trans-81.1141.3-163.1-62.3166.5-3.200112.4Q207Q205-Q207 HydrophobicContact CB-CB 4.27Å
206I41.3Very low36.6Very low181 Ų181137.9 Ų137.993%0.92876%0.761SS**  trans-87.2103.4155.1-61.5178.6000106.2
207Q34.6Very low38.3Very low164 Ų164138.9 Ų138.977%0.76677%0.765SS**  trans-139.3132.7-178.6-178.46662.100109.1Q205Q205-Q207 HydrophobicContact CB-CB 4.27Å
208G28.4Very low39.7Very low62 Ų62136.5 Ų136.564%0.63976%0.764SS**  trans92.583.4171.300000115.1
209C32.7Very low41.6Very low103 Ų103134.9 Ų134.970%0.69677%0.767SS**  trans-60.6150.5135.752.10000108.9E211C209-E211 PolarHBondContact SG-OE1 3.41Å
210N26.8Very low43.4Very low126 Ų126137 Ų13767%0.67477%0.774SS**  trans-139.6106.1175.3-177.7-102.6000109.3D212N210-D212 PolarHBondContact O-N 2.81Å
211E45.6Very low45.2Very low155 Ų155133.2 Ų133.272%0.72477%0.771SS**THydrogen-bonded Turntrans-77.157.3-176.2-69.972.9-165.700113C209C209-E211 PolarHBondContact SG-OE1 3.41Å
212D42.1Very low47.5Very low100 Ų100139.7 Ų139.754%0.53578%0.778SS.*THydrogen-bonded Turntrans-141.826.3163.5-124.8-28.4000113.8N210 R214N210-D212 PolarHBondContact O-N 2.81Å; D212-R214 PolarHBondContact O-N 3.42Å; D212-R214 IonicContact OD1-CZ 3.65Å; D212-R214 IonicContact OD1-NE 2.81Å; D212-R214 PolarHBondContact OD1-NE 3.06Å; D212-R214 IonicContact OD1-NH2 3.56Å
213C49.4Very low49.7Very low117 Ų117142 Ų14279%0.79176%0.762SS**  trans-6956.5168.8-76.50000112.7R215C213-R215 PolarHBondContact O-N 3.12Å
214R46.6Very low51.2Low199 Ų199141.5 Ų141.575%0.75175%0.745SS**  trans-59.5108172.2-63.7-175.7-172.6-130-2.5108.8D212 V216D212-R214 PolarHBondContact O-N 3.42Å; D212-R214 IonicContact OD1-CZ 3.65Å; D212-R214 IonicContact OD1-NE 2.81Å; D212-R214 PolarHBondContact OD1-NE 3.06Å; D212-R214 IonicContact OD1-NH2 3.56Å; R214-V216 VanDerWaalsContact C-N 3.26Å; R214-V216 PolarHBondContact O-N 2.83Å
215R57.5Low53.3Low242 Ų242141 Ų14191%0.91374%0.74SS**  trans-66.385.4173.9-72.5-179.9172.9136.3-2.8109.7C213 P217C213-R215 PolarHBondContact O-N 3.12Å; R215-P217 WeakPolarHBondContact O-CD 3.24Å
216V59.1Low55Low123 Ų123139.5 Ų139.575%0.74574%0.738SS**PPolyproline II helixtrans-57.3118.9166.2-178.20000106.8R214R214-V216 VanDerWaalsContact C-N 3.26Å; R214-V216 PolarHBondContact O-N 2.83Å
217P65.8Low56.4Low102 Ų102134 Ų13466%0.66271%0.712SS**PPolyproline II helixtrans-62.1144.4177.726.2-33.6000109.1R215R215-P217 WeakPolarHBondContact O-CD 3.24Å
218P62.5Low57.8Low116 Ų116134.9 Ų134.975%0.75372%0.717SS**PPolyproline II helixtrans-55.6134.2-179.223.3-33.4000109.8K220P218-K220 PolarHBondContact O-N 3.49Å
219P68.4Low59.2Low123 Ų123137.5 Ų137.580%0.79972%0.715SS**PPolyproline II helixtrans-59.2129.7-172.922.8-33.2000110.3
220K70.9Confident60.4Low196 Ų196138.4 Ų138.485%0.85272%0.723SS**PPolyproline II helixtrans-52.4134.7-176.9-68.6-175.7178.4-178.60110.2P218 K222P218-K220 PolarHBondContact O-N 3.49Å; K220-K222 PolarHBondContact O-N 3.47Å; K220-K222 VanDerWaalsContact O-N 3.1Å
221P69.5Low61.6Low131 Ų131137.9 Ų137.985%0.85172%0.724SS**PPolyproline II helixtrans-53.4118.9178.3-27.535.1000111.4R223P221-R223 PolarHBondContact O-N 3.28Å
222K75.1Confident62.1Low208 Ų208136.2 Ų136.290%0.90473%0.729SS**  trans-71.7101-178.5-170172.8-177.1176.90109.4K220 N224K220-K222 PolarHBondContact O-N 3.47Å; K220-K222 VanDerWaalsContact O-N 3.1Å; K222-N224 PolarHBondContact O-N 2.76Å
223R73.6Confident62.4Low130 Ų130141 Ų14149%0.49175%0.746SS.*  trans-50.2135.1174.9179.8177.2169.993.51.3110.5P221 T227 Q228 L229P221-R223 PolarHBondContact O-N 3.28Å; R223-T227 WeakPolarHBondContact CG-OG1 3.44Å; R223-T227 PolarHBondContact NE-O 2.76Å; R223-T227 PolarHBondContact NE-OG1 3.02Å; R223-T227 VanDerWaalsContact NE-OG1 3.15Å; R223-T227 PolarHBondContact NH2-O 3.39Å; R223-T227 PolarHBondContact NH2-OG1 2.9Å; R223-Q228 PolarHBondContact NH2-O 2.82Å; R223-L229 VanDerWaalsContact NH1-CD1 3.27Å; R223-L229 VanDerWaalsContact NH2-CG 3.33Å
224N65.6Low62.5Low92 Ų92140.3 Ų140.349%0.49273%0.734SS.*  trans-67.6129.1178.4-178.1-26.8000109.4K222 N226 T227K222-N224 PolarHBondContact O-N 2.76Å; N224-N226 PolarHBondContact O-N 3.18Å; N224-N226 WeakPolarHBondContact OD1-CB 3.4Å; N224-N226 PolarHBondContact OD1-N 3.34Å; N224-T227 HydrophobicContact CB-CG2 4.38Å; N224-T227 PolarHBondContact O-N 3.04Å; N224-T227 PolarHBondContact O-OG1 3.36Å
225P74.1Confident62.5Low120 Ų120140 Ų14078%0.77974%0.741SS**THydrogen-bonded Turntrans-56.8-24.4179.623.6-35.1000113.6T227P225-T227 VanDerWaalsContact C-N 3.25Å; P225-T227 PolarHBondContact O-N 2.81Å
226N64.9Low62.3Low140 Ų140132.8 Ų132.875%0.74973%0.728SS**THydrogen-bonded Turntrans-80.9-2.6179.2-5814.9000113.1N224 Q228N224-N226 PolarHBondContact O-N 3.18Å; N224-N226 WeakPolarHBondContact OD1-CB 3.4Å; N224-N226 PolarHBondContact OD1-N 3.34Å; N226-Q228 PolarHBondContact O-N 3.47Å
227T70.4Confident61.7Low64 Ų64137.1 Ų137.139%0.39373%0.732SS.*  trans-86.2109.8170520000109.7R223 N224 P225R223-T227 WeakPolarHBondContact CG-OG1 3.44Å; R223-T227 PolarHBondContact NE-O 2.76Å; R223-T227 PolarHBondContact NE-OG1 3.02Å; R223-T227 VanDerWaalsContact NE-OG1 3.15Å; R223-T227 PolarHBondContact NH2-O 3.39Å; R223-T227 PolarHBondContact NH2-OG1 2.9Å; N224-T227 HydrophobicContact CB-CG2 4.38Å; N224-T227 PolarHBondContact O-N 3.04Å; N224-T227 PolarHBondContact O-OG1 3.36Å; P225-T227 VanDerWaalsContact C-N 3.25Å; P225-T227 PolarHBondContact O-N 2.81Å
228Q65.3Low60.8Low184 Ų184139.6 Ų139.686%0.8674%0.738SS**  trans-74.3153.8161.8-64.2178.9-2.100109.3R223 N226R223-Q228 PolarHBondContact NH2-O 2.82Å; N226-Q228 PolarHBondContact O-N 3.47Å
229L57.4Low59.6Low116 Ų116145.8 Ų145.861%0.60775%0.747SS**  trans-134.1119.3170-112.9175.4000105.2R223 V231R223-L229 VanDerWaalsContact NH1-CD1 3.27Å; R223-L229 VanDerWaalsContact NH2-CG 3.33Å; L229-V231 HydrophobicContact CB-CG2 4.22Å; L229-V231 PolarHBondContact O-N 3.49Å
230S57.2Low58Low122 Ų122145 Ų14585%0.85374%0.744SS**  trans-77.476.8179.2-50.90000109.8
231V53.4Low56.5Low116 Ų116145.2 Ų145.270%0.70375%0.748SS**  trans-131.758.7174.7-68.60000110.4L229 F233L229-V231 HydrophobicContact CB-CG2 4.22Å; L229-V231 PolarHBondContact O-N 3.49Å; V231-F233 PolarHBondContact O-N 3.16Å
232S55.5Low54.7Low119 Ų119142.3 Ų142.383%0.83274%0.742SS**  trans-80.7104.3158.949.60000108.8
233F49Very low52.6Low201 Ų201138.7 Ų138.788%0.88274%0.743SS**  trans-128.1156.8151-158.6-96.9000108.9V231V231-F233 PolarHBondContact O-N 3.16Å
234D49.7Very low50.9Low102 Ų102138.1 Ų138.155%0.54576%0.759SS.*  trans-80131.9-160.5-179.636.5000114S236D234-S236 VanDerWaalsContact C-N 3.34Å; D234-S236 WeakPolarHBondContact OD1-CB 3.49Å; D234-S236 PolarHBondContact OD1-N 3.02Å; D234-S236 VanDerWaalsContact OD1-N 3.08Å; D234-S236 PolarHBondContact OD1-OG 3.4Å; D234-S236 VanDerWaalsContact OD2-CB 3.25Å; D234-S236 WeakPolarHBondContact OD2-CB 3.49Å; D234-S236 PolarHBondContact OD2-N 3.29Å
235E48.3Very low49.3Very low193 Ų193137.1 Ų137.190%0.90277%0.771SS**SBendtrans-90.84.4177.3-160.290.6-147.100111.5
236S52.3Low47.3Very low90 Ų90138.1 Ų138.163%0.62977%0.774SS**  trans-90.4-11.2-165.5-48.80000116.4D234 I238D234-S236 VanDerWaalsContact C-N 3.34Å; D234-S236 WeakPolarHBondContact OD1-CB 3.49Å; D234-S236 PolarHBondContact OD1-N 3.02Å; D234-S236 VanDerWaalsContact OD1-N 3.08Å; D234-S236 PolarHBondContact OD1-OG 3.4Å; D234-S236 VanDerWaalsContact OD2-CB 3.25Å; D234-S236 WeakPolarHBondContact OD2-CB 3.49Å; D234-S236 PolarHBondContact OD2-N 3.29Å; S236-I238 PolarHBondContact O-N 3.45Å
237Y46.5Very low46Very low214 Ų214137.2 Ų137.284%0.83978%0.777SS**SBendtrans-72.5-19.8-167.9-170.3-109.8000115.9
238I46.6Very low44.6Very low154 Ų154139.4 Ų139.479%0.7979%0.792SS**  trans-124.473.3-172.8-42.4-177.7000112.8S236S236-I238 PolarHBondContact O-N 3.45Å
239R37.3Very low43.1Very low246 Ų246135.1 Ų135.193%0.92878%0.783SS**  trans-134.1130.2152.9-147.9168.5-159.5-111.2-1.5111.9
240S35.5Very low42Very low107 Ų107138.5 Ų138.575%0.74879%0.793SS**  trans-70.9159-157-44.60000116.2
241H39.1Very low40.7Very low200 Ų200140 Ų14093%0.92679%0.786SS**  trans-38.7137.1170.1-49.6-87.5000114.4
242G31.5Very low39.5Very low71 Ų71141.5 Ų141.573%0.73279%0.789SS**  trans-171.794.117500000115.6
243S32.3Very low38.4Very low131 Ų131142.9 Ų142.992%0.91678%0.782SS**  trans73152.9166.2-151.60000118.9
244S36.1Very low37.4Very low118 Ų118141.2 Ų141.283%0.82578%0.777SS**  trans-101.1148.9-173.354.20000113.2
245G32.3Very low36.3Very low72 Ų72142.2 Ų142.274%0.74279%0.787SS**  trans-169.968.4178.300000118
246V33.1Very low35.5Very low140 Ų140139 Ų13985%0.84878%0.781SS**  trans36.8114.7148.6-172.30000119.8
247C36.6Very low34.6Very low122 Ų122139.8 Ų139.882%0.82479%0.786SS**  trans-88.8149.9151-56.80000109.8
248P42.5Very low34.4Very low109 Ų109135.4 Ų135.471%0.70878%0.784SS**  -156169.195.341.5-23.5000117.5
249S32.5Very low33.5Very low94 Ų94133.3 Ų133.366%0.65778%0.782SS**  trans26.5154.2135.9-61.10000123.4
250K34.7Very low33.1Very low187 Ų187128 Ų12881%0.81377%0.767SS**  cis-173.2151.3-9-104.3166.5-169.3177.60109.7
251H29.6Very low32.9Very low155 Ų155132.4 Ų132.472%0.71877%0.768SS**  trans43.7131.2136.3-167.5-82.7000123
252L29.1Very low32.4Very low147 Ų147129.8 Ų129.877%0.7776%0.76SS**  trans-159.8163.5147-133.373.1000115.1
253H31.5Very low32.9Very low148 Ų148131.6 Ų131.669%0.68576%0.759SS**  trans-45147.8-173.4-54.4-54.4000117.8
254H27.8Very low32.9Very low166 Ų166130.2 Ų130.277%0.76975%0.75SS**  cis97.6115.734.5174.284.7000115.2
255T27.6Very low33.6Very low123 Ų123130.1 Ų130.176%0.75575%0.746SS**  trans-149.6121.1165.351.90000113.9
256T30.5Very low34.2Very low126 Ų126132.2 Ų132.277%0.77375%0.746SS**  trans57.7120.5144.457.80000122.8
257S34Very low34.1Very low105 Ų105133.4 Ų133.473%0.73474%0.743SS**  trans-90.3-178.4156.859.20000111.6
258P41.4Very low33.8Very low122 Ų122131.9 Ų131.979%0.79273%0.733SS**  -128.6155.475.510.813000113.1
259C28.9Very low33.4Very low111 Ų111133.4 Ų133.475%0.7574%0.736SS**  cis97.9149.440.4-156.20000113.9
260E29.7Very low33.4Very low135 Ų135137.6 Ų137.663%0.63175%0.745SS**  trans83.2138.6-170.5-56.9-75.52900115.6
261R29.4Very low33.4Very low199 Ų199133.9 Ų133.975%0.75174%0.742SS**  cis-157.1161.4-14.2-172.5171.1-77.1-159.30.8110.7
262N29.5Very low34.4Very low144 Ų144132 Ų13277%0.7774%0.744SS**  trans-137.7157.4163.4-119.3-56.2000108
263P41.6Very low34.7Very low109 Ų109131.5 Ų131.571%0.70875%0.747SS**  -156.7148.962.439.7-17.1000120.6
264S32.4Very low34.9Very low103 Ų103131.6 Ų131.672%0.7275%0.753SS**  trans70.1-178.9138.7-50.60000119.9
265P50.8Low35.5Very low116 Ų116129.7 Ų129.775%0.75375%0.748SS**  -132.1-158.6-85.645.4-27.8000111.3
266P45.4Very low35.9Very low115 Ų115129.9 Ų129.975%0.74775%0.753SS**  cis-121.3-159.1-8.230.2-4.6000110.8
267Q30.1Very low36.5Very low166 Ų166131.8 Ų131.878%0.77675%0.754SS**  cis-143.8167.710-67.3176.3-136.200111.3
268S31.8Very low37.6Very low89 Ų89134.4 Ų134.462%0.62276%0.759SS**  trans62.4139.1150.6-660000119.9
269D32.4Very low37.7Very low142 Ų142135.8 Ų135.876%0.75976%0.755SS**  cis-158.6147.2-18.9-98.9-43.8000108.3
270E33.9Very low39.1Very low182 Ų182134.7 Ų134.785%0.8575%0.746SS**  trans48.6155.7168.6-13372.3114.500120.7
271S34.2Very low40.5Very low108 Ų108134.6 Ų134.676%0.75576%0.755SS**  trans-149.2-163.5-175.7-66.40000109.2
272P50.1Low41.4Very low116 Ų116134.5 Ų134.575%0.75376%0.756SS**  -124.7163.2-72.336.8-24.3000113.3
273T35Very low42.7Very low137 Ų137134.5 Ų134.584%0.8476%0.755SS**  trans-142.6131.5149.948.70000108
274D36.5Very low44Very low150 Ų150137.8 Ų137.880%0.80276%0.76SS**  cis96138.528.8-159.231.3000113.7
275D40.1Very low45.1Very low125 Ų125141.1 Ų141.167%0.66877%0.767SS**  trans36.6146.3-170.4-104.4-25.6000122.8
276C35.5Very low45.1Very low128 Ų128138.3 Ų138.387%0.86576%0.759SS**  trans-139.371.5177.1-74.70000110.2
277E44.1Very low44.9Very low166 Ų166136.3 Ų136.378%0.77676%0.759SS**  trans-90.1147.5176.4-78.5-64.3167.200113.2E279E277-E279 PolarHBondContact O-N 2.95Å
278D57.6Low45.2Very low159 Ų159135.7 Ų135.785%0.8576%0.759SS**  trans-95.766.1-166.3-167.435.8000112.1P280D278-P280 WeakPolarHBondContact O-CD 3.41Å
279E43.3Very low45.7Very low151 Ų151139.4 Ų139.471%0.70677%0.772SS**  trans-79.7119.3-179.8-167.580.2-116.900111.3E277 V281E277-E279 PolarHBondContact O-N 2.95Å; E279-V281 PolarHBondContact O-N 3.31Å
280P58Low46.1Very low88 Ų88140.4 Ų140.457%0.57178%0.776SS**  trans-71.7120.4-17928.7-33.8000111.2D278 Y282D278-P280 WeakPolarHBondContact O-CD 3.41Å; P280-Y282 WeakPolarHBondContact O-CD2 3.42Å; P280-Y282 PolarHBondContact O-N 2.91Å
281V59.3Low46Very low133 Ų133134.8 Ų134.881%0.80677%0.767SS**  trans-52.7102.5-174.2-177.90000112.9E279 I283E279-V281 PolarHBondContact O-N 3.31Å; V281-I283 PolarHBondContact O-N 2.84Å
282Y47.5Very low46.3Very low197 Ų197135.2 Ų135.277%0.77377%0.767SS**  trans-68.4123.3159.4-73.4-89.5000108.5P280 E284P280-Y282 WeakPolarHBondContact O-CD2 3.42Å; P280-Y282 PolarHBondContact O-N 2.91Å; Y282-E284 PolarHBondContact O-N 2.98Å
283I56.8Low45.5Very low145 Ų145141.4 Ų141.474%0.74478%0.775SS**  trans-80108.6177.5-62.1177.6000108.6V281 M285V281-I283 PolarHBondContact O-N 2.84Å; I283-M285 PolarHBondContact O-N 3.35Å; I283-M285 VanDerWaalsContact O-N 3.17Å
284E68.7Low45.4Very low177 Ų177143.5 Ų143.583%0.82778%0.775SS**  trans-65104.5177.4-175.1-179.1170.600111.3Y282 G286Y282-E284 PolarHBondContact O-N 2.98Å; E284-G286 VanDerWaalsContact C-N 3.27Å; E284-G286 PolarHBondContact O-N 2.9Å
285M56Low45.5Very low174 Ų174141.3 Ų141.386%0.85777%0.77SS**  trans-89.166.1168.1-69.1-61.4-55.300109.6I283 G287I283-M285 PolarHBondContact O-N 3.35Å; I283-M285 VanDerWaalsContact O-N 3.17Å; M285-G287 PolarHBondContact O-N 3.46Å
286G50Low45.2Very low57 Ų57143.1 Ų143.159%0.58878%0.778SS**  trans-69.9120.6179.700000112.4E284E284-G286 VanDerWaalsContact C-N 3.27Å; E284-G286 PolarHBondContact O-N 2.9Å
287G41.7Very low45Very low72 Ų72145.9 Ų145.974%0.74278%0.775SS**  trans-78.9153.8166.200000111.5M285 D289M285-G287 PolarHBondContact O-N 3.46Å; G287-D289 PolarHBondContact O-N 3.36Å
288I37.3Very low44.6Very low154 Ų154144.1 Ų144.179%0.7977%0.77SS**  trans-88.5102.4180-57.7174000109.7I290I288-I290 HydrophobicContact CG2-CG1 3.99Å
289D42.3Very low43.5Very low167 Ų167145 Ų14589%0.89377%0.769SS**  trans-76.1127.1163.9-82.2-42.1000110.3G287G287-D289 PolarHBondContact O-N 3.36Å
290I40.4Very low43.3Very low163 Ų163144.5 Ų144.584%0.83677%0.771SS**  trans-106.3122.4-177.9-62.1179000111.3I288I288-I290 HydrophobicContact CG2-CG1 3.99Å
291G32Very low42.8Very low64 Ų64148.4 Ų148.466%0.6678%0.782SS**  trans165.3158.9149.400000115.3
292P41.3Very low42.4Very low116 Ų116151.3 Ų151.375%0.75379%0.787SS**SBendcis-129.2131.2-7.836.1-19.6000114.2
293R32.3Very low42.4Very low246 Ų246147.9 Ų147.993%0.92879%0.788SS**  trans-172.9128.1144-110.8170.4-174.593.1-1.6113.6
294E33Very low42.1Very low181 Ų181144 Ų14485%0.84678%0.784SS**  trans-74.8171.2153.7-63.8-171.414500110.5
295P39.1Very low41.3Very low105 Ų105145.2 Ų145.268%0.68279%0.79SS**  cis-129.9153.60.120.43.4000116.6
296L32.5Very low41.3Very low162 Ų162141.8 Ų141.885%0.84878%0.783SS**  trans51111.6142.9-58169.3000120.1
297K31.6Very low41.7Very low186 Ų186144.7 Ų144.781%0.80979%0.789SS**  175.9126.6108.8-95.1169-176.7-179.40115.2
298I35Very low42.2Very low130 Ų130151.4 Ų151.467%0.66779%0.793SS**  55.9119.3128.5-56.1171.9000119.7
299E35.6Very low43.4Very low178 Ų178152.8 Ų152.883%0.83280%0.797SS**  trans62.9152.5161.5-67.7166.7147.300116.2
300D40Very low44.4Very low139 Ų139153.9 Ų153.974%0.74380%0.796SS**  cis-145.3-178.113.5-156.31.3000112.8
301E46.6Very low45Very low171 Ų171153 Ų15380%0.79979%0.79SS**  trans-42135.5-172.7-64.3-177.6101.300118.9
302E49.9Very low46.1Very low193 Ų193158.7 Ų158.790%0.90280%0.797SS**  trans-116117.6154.9-179163.5-161.200111.2
303P47.9Very low46.2Very low125 Ų125162.4 Ų162.481%0.81280%0.797SS**  trans-98.395.3-174.835.2-32.7000113.3
304G50.2Low46.7Very low63 Ų63157 Ų15765%0.64979%0.794SS**  trans-149.8-39.2178.200000117.4S306G304-S306 PolarHBondContact O-N 2.95Å
305E51.7Low47.4Very low203 Ų203152.8 Ų152.895%0.94979%0.79SS**  trans-92.2104.1-165.7-61.1-172.1-172.900113.2
306S56.8Low47.3Very low103 Ų103155.5 Ų155.572%0.7280%0.798SS**  trans-157.711.4178.653.60000116.5G304G304-S306 PolarHBondContact O-N 2.95Å
307V57.5Low47.8Very low117 Ų117154.3 Ų154.371%0.70979%0.793SS**SBendtrans-123.13.1-167.5-1700000114.2
308Y53.7Low48.1Very low213 Ų213153 Ų15384%0.83579%0.794SS**SBendtrans-135.716.3-175.9-84.9-72.4000117.5
309E61.3Low48.1Very low183 Ų183154.6 Ų154.686%0.85580%0.801SS**SBendtrans-81.3-24.1176.4-72.1-161.4109.400115.6M311E309-M311 PolarHBondContact O-N 3.46Å
310E63.4Low48.1Very low190 Ų190154.2 Ų154.289%0.88880%0.799SS**SBendtrans-74.2-21.7-166.2-164.8174.4-173.300114.5K312E310-K312 PolarHBondContact O-N 3.49Å
311M53.4Low48.1Very low144 Ų144158.8 Ų158.871%0.70981%0.808SS**  trans-81.340-175.5-67.3-56.9-54.100114.2E309 Y313E309-M311 PolarHBondContact O-N 3.46Å; M311-Y313 HydrophobicContact CE-CE2 4.49Å; M311-Y313 PolarHBondContact O-N 3.37Å
312K55.9Low47.4Very low185 Ų185160.4 Ų160.480%0.80481%0.807SS**  trans-84.499178.4-172.4170.2-176.5170.60111.9E310E310-K312 PolarHBondContact O-N 3.49Å
313Y43.1Very low46.7Very low194 Ų194158.1 Ų158.176%0.76181%0.806SS**  trans-65.7137.6161.3-71.7-92.2000110.1M311 A315M311-Y313 HydrophobicContact CE-CE2 4.49Å; M311-Y313 PolarHBondContact O-N 3.37Å; Y313-A315 PolarHBondContact O-N 2.93Å
314P42.9Very low46.4Very low131 Ų131157.8 Ų157.885%0.85180%0.798SS**  trans-67.692.7165-20.233.9000110.5
315A46.3Very low46.4Very low93 Ų93160.1 Ų160.177%0.76980%0.801SS**  trans-77.6164.9161.600000110.4Y313Y313-A315 PolarHBondContact O-N 2.93Å
316L38.6Very low45.7Very low163 Ų163156.6 Ų156.685%0.85379%0.793SS**  trans-80.1177.8-166.7-74162.4000114.4
317D42.3Very low44.5Very low137 Ų137155.1 Ų155.173%0.73379%0.794SS**  trans-42.3149.1177.8-53.3-102.6000115.9
318D38.8Very low43.4Very low157 Ų157155.6 Ų155.684%0.8480%0.802SS**  -166.8176.4116.9-103.1-29.5000111.2
319M33.8Very low42.3Very low165 Ų165157 Ų15781%0.81381%0.805SS**  trans78.449175.7-50.9-49.1-54.500118
320E36.5Very low41.4Very low170 Ų170153.8 Ų153.879%0.79480%0.803SS**  2.8124.8129.9-174.9-178.7-164.700117.7
321Y39.8Very low40Very low234 Ų234148.7 Ų148.792%0.91879%0.793SS**  trans-124.1122154.5-119-93.7000110.1
322R31.7Very low39.4Very low205 Ų205147.9 Ų147.977%0.77480%0.8SS**  trans-30129.4-169.8-65.1179.3174.3-83.31.4117.3
323T35.8Very low38.3Very low146 Ų146144.5 Ų144.590%0.89680%0.797SS**  -146.4108.3125.8-68.50000108.6
324D40.6Very low38Very low118 Ų118141.7 Ų141.763%0.63180%0.8SS**  trans-115.3136.5175.9-176.944.8000106.7V326D324-V326 PolarHBondContact OD1-N 2.68Å
325P50.7Low37.7Very low111 Ų111141.2 Ų141.272%0.72180%0.798SS**  -139.612787.430.3-11.5000116.2
326V37.6Very low37.2Very low130 Ų130141.1 Ų141.179%0.78880%0.797SS**  trans67.6123.6130.7-1800000118.4D324D324-V326 PolarHBondContact OD1-N 2.68Å
327G31.9Very low37.3Very low72 Ų72138.8 Ų138.874%0.74279%0.791SS**  trans166.258.4160.200000117.7R329G327-R329 PolarHBondContact O-N 2.69Å
328C32.9Very low37Very low127 Ų127143.4 Ų143.486%0.85880%0.8SS**  trans-56.8126.5179-51.20000113.2
329R31.1Very low37Very low243 Ų243141.3 Ų141.392%0.91779%0.789SS**  trans-159.9132139.9-111.8151.8-161.4-76-3.5115.3G327G327-R329 PolarHBondContact O-N 2.69Å
330S42.2Very low37.7Very low115 Ų115139.2 Ų139.280%0.80479%0.788SS**  trans-72.6162.9163.1174.50000111.2
331A35.3Very low38.1Very low83 Ų83136.3 Ų136.369%0.68677%0.774SS**SBendtrans68.5137.7176.200000116.2P333A331-P333 WeakPolarHBondContact O-CD 3.13Å
332C40.6Very low38.3Very low126 Ų126131.1 Ų131.185%0.85177%0.769SS**  trans-73.6135.7172.849.10000111.5
333P32.5Very low38.7Very low115 Ų115125.5 Ų125.575%0.74775%0.754SS**  trans-126.5113.5162.231.6-14.1000110.7A331 P335A331-P333 WeakPolarHBondContact O-CD 3.13Å; P333-P335 WeakPolarHBondContact O-CD 3.32Å
334T35.5Very low38.5Very low134 Ų134124.1 Ų124.182%0.82275%0.75SS**  trans-87116.4165.8-57.50000109.2
335P36.7Very low38.3Very low122 Ų122127.9 Ų127.979%0.79276%0.755SS**  trans-95.5104.7170.433.9-25.6000109.9P333P333-P335 WeakPolarHBondContact O-CD 3.32Å
336A35.8Very low37.2Very low91 Ų91128.3 Ų128.375%0.75276%0.76SS**  trans-104.1129.9169.500000109.9
337P42.6Very low36.9Very low113 Ų113126.3 Ų126.373%0.73475%0.751SS**  trans-100.6123.3173.24.116.7000112.8
338Y34Very low36.9Very low235 Ų235129.7 Ų129.792%0.92276%0.758SS**  trans69.7161.2157.4-69.8-82.2000120.2
339D39.6Very low37.7Very low113 Ų113129.4 Ų129.460%0.60475%0.754SS**  trans-168.3151.5-146.1168.160.5000108.1E341D339-E341 PolarHBondContact OD1-N 3.28Å; D339-E341 WeakPolarHBondContact OD2-CB 3.46Å; D339-E341 WeakPolarHBondContact OD2-CG 3.43Å; D339-E341 PolarHBondContact OD2-N 3.34Å
340P48.3Very low38.1Very low121 Ų121129 Ų12979%0.78675%0.753SS**  -144.6106.7112.933.3-15.5000115.1
341E45.3Very low37.8Very low108 Ų108129.9 Ų129.951%0.50575%0.749SS.*  40.5136.5109-91-87.613100119.2D339 L343D339-E341 PolarHBondContact OD1-N 3.28Å; D339-E341 WeakPolarHBondContact OD2-CB 3.46Å; D339-E341 WeakPolarHBondContact OD2-CG 3.43Å; D339-E341 PolarHBondContact OD2-N 3.34Å; E341-L343 VanDerWaalsContact CD-N 3.28Å; E341-L343 PolarHBondContact OE1-N 3.48Å; E341-L343 WeakPolarHBondContact OE2-CA 3.15Å; E341-L343 WeakPolarHBondContact OE2-CD2 3.43Å; E341-L343 WeakPolarHBondContact OE2-CG 3.39Å; E341-L343 PolarHBondContact OE2-N 2.9Å
342P44.6Very low38.1Very low126 Ų126133.4 Ų133.482%0.81875%0.754SS**  -135.7147.380.738-26.4000117.7
343L38.8Very low38.8Very low86 Ų86133.1 Ų133.145%0.4575%0.75SS.*  trans-38139.4-178.6-63.1176.9000117E341 R345E341-L343 VanDerWaalsContact CD-N 3.28Å; E341-L343 PolarHBondContact OE1-N 3.48Å; E341-L343 WeakPolarHBondContact OE2-CA 3.15Å; E341-L343 WeakPolarHBondContact OE2-CD2 3.43Å; E341-L343 WeakPolarHBondContact OE2-CG 3.39Å; E341-L343 PolarHBondContact OE2-N 2.9Å; L343-R345 HydrophobicContact CD2-CG 4.43Å
344S32Very low39.4Very low117 Ų117135.4 Ų135.482%0.81876%0.756SS**  -169.892.4103.5-80.40000115.2
345R35.7Very low39.9Very low198 Ų198134 Ų13475%0.74775%0.75SS**  27.3129.2126.3-52.6175.7-171.4-141-3.9116.9L343L343-R345 HydrophobicContact CD2-CG 4.43Å
346C28.6Very low40.3Very low120 Ų120136.2 Ų136.281%0.81176%0.755SS**  -162125.461.5-175.20000108.7
347S30.2Very low41.6Very low87 Ų87138.2 Ų138.261%0.60875%0.752SS**  77.983.855.1-54.90000116
348T33.7Very low42.5Very low143 Ų143138.1 Ų138.188%0.87775%0.751SS**  173.214411532.10000112.8
349P48.5Very low43.8Very low121 Ų121130.3 Ų130.379%0.78674%0.736SS**  trans-104.9146.617437.3-31.1000113.3
350R39.8Very low44.5Very low235 Ų235130.4 Ų130.489%0.88774%0.742SS**  trans-159.3119.9162.1-120.6171.7-178136.20.8114.4
351N35.5Very low45.1Very low134 Ų134131.6 Ų131.672%0.71774%0.736SS**  trans54.1107155.9-65.9-28.7000121.8
352I41.6Very low45.6Very low157 Ų157131.9 Ų131.981%0.80575%0.746SS**  70.8130.1130-61.8173000117
353P54.9Low46.3Very low119 Ų119131.6 Ų131.677%0.77374%0.738SS**  trans-92.9143.9-158.135.8-35.6000114.5
354L45.3Very low47.2Very low164 Ų164133.6 Ų133.686%0.85975%0.749SS**  trans-144.3100156.7-158.471.7000111.4D356L354-D356 PolarHBondContact O-N 3.42Å
355C47.4Very low48.4Very low105 Ų105134.9 Ų134.971%0.70975%0.746SS**  trans43.568157.5-58.20000117.9I357C355-I357 PolarHBondContact O-N 2.72Å
356D44.6Very low49.4Very low167 Ų167130.4 Ų130.489%0.89374%0.74SS**  trans-74.789.7164.2-160.26.7000109.7L354L354-D356 PolarHBondContact O-N 3.42Å
357I62.2Low50.7Low133 Ų133132.9 Ų132.968%0.68274%0.74SS**PPolyproline II helixtrans-75.7122.4-178.8-60.3173.3000107.9C355 A359C355-I357 PolarHBondContact O-N 2.72Å; I357-A359 PolarHBondContact O-N 2.89Å
358P62.6Low52.2Low111 Ų111138.7 Ų138.772%0.72175%0.748SS**PPolyproline II helixtrans-57.7128.7177.524.4-33.6000109.6
359A61.4Low53.6Low72 Ų72136.8 Ų136.860%0.59574%0.738SS**PPolyproline II helixtrans-49.1134.9-171.400000111.2I357 F361 P362I357-A359 PolarHBondContact O-N 2.89Å; A359-F361 PolarHBondContact O-N 3.12Å; A359-P362 WeakPolarHBondContact O-CD 3.39Å
360P52.8Low54.4Low114 Ų114137 Ų13774%0.7474%0.739SS**SBendtrans-64.1-11.3-159.322.8-34.8000115.5
361F62Low55.4Low147 Ų147133.2 Ų133.265%0.64574%0.736SS**  trans-140.682.1175.8-64.5-65.5000111.4A359 N363 L364A359-F361 PolarHBondContact O-N 3.12Å; F361-N363 PolarHBondContact O-N 2.76Å; F361-L364 HydrophobicContact CB-CD1 4.07Å; F361-L364 HydrophobicContact CB-CG 4.09Å; F361-L364 HydrophobicContact CD1-CD1 3.46Å; F361-L364 VanDerWaalsContact CD1-CD1 3.46Å; F361-L364 HydrophobicContact CD1-CD2 4.15Å; F361-L364 HydrophobicContact CD1-CG 3.8Å; F361-L364 HydrophobicContact CE1-CD1 4Å; F361-L364 HydrophobicContact CG-CD1 3.75Å; F361-L364 HydrophobicContact CG-CG 4.18Å
362P56Low56.4Low113 Ų113134 Ų13473%0.73474%0.74SS**SBendtrans-72.795.5169.931.1-29.9000108.9A359A359-P362 WeakPolarHBondContact O-CD 3.39Å
363N59.4Low57.4Low120 Ų120132.9 Ų132.964%0.64274%0.74SS**  trans62.569.5172.4-59.8-42000117.2F361 L365 T366F361-N363 PolarHBondContact O-N 2.76Å; N363-L365 PolarHBondContact O-N 2.89Å; N363-T366 HydrophobicContact CB-CG2 4.12Å; N363-T366 PolarHBondContact O-OG1 3.16Å
364L58.1Low57.7Low129 Ų129135.2 Ų135.268%0.67574%0.738SS**THydrogen-bonded Turntrans-64.28.5163.9-76.3178.1000115.2F361F361-L364 HydrophobicContact CB-CD1 4.07Å; F361-L364 HydrophobicContact CB-CG 4.09Å; F361-L364 HydrophobicContact CD1-CD1 3.46Å; F361-L364 VanDerWaalsContact CD1-CD1 3.46Å; F361-L364 HydrophobicContact CD1-CD2 4.15Å; F361-L364 HydrophobicContact CD1-CG 3.8Å; F361-L364 HydrophobicContact CE1-CD1 4Å; F361-L364 HydrophobicContact CG-CD1 3.75Å; F361-L364 HydrophobicContact CG-CG 4.18Å
365L57.1Low58.4Low144 Ų144132.6 Ų132.675%0.75473%0.731SS**THydrogen-bonded Turntrans-118.6-1.6-174.7-69.4176.2000114.9N363N363-L365 PolarHBondContact O-N 2.89Å
366T55.7Low58.6Low103 Ų103133.6 Ų133.663%0.63274%0.736SS**SBendtrans-71.5-32.1169.946.50000111.8N363 R368N363-T366 HydrophobicContact CB-CG2 4.12Å; N363-T366 PolarHBondContact O-OG1 3.16Å; T366-R368 VanDerWaalsContact C-N 3.27Å; T366-R368 PolarHBondContact O-N 3.14Å; T366-R368 VanDerWaalsContact O-N 3.15Å
367H56.1Low58.7Low173 Ų173129.6 Ų129.680%0.80173%0.726SS**  trans-87.256.7173.5-67.4-70.2000112.7
368R60.6Low58Low209 Ų209129.2 Ų129.279%0.78973%0.732SS**PPolyproline II helixtrans-64.7126149.7-76.1-175.9174.6173.4-0.7106.9T366T366-R368 VanDerWaalsContact C-N 3.27Å; T366-R368 PolarHBondContact O-N 3.14Å; T366-R368 VanDerWaalsContact O-N 3.15Å
369P63.1Low57Low103 Ų103128.8 Ų128.867%0.66974%0.738SS**PPolyproline II helixtrans-59.4143.2166.927.5-33.4000108.2L371P369-L371 PolarHBondContact O-N 3.46Å; P369-L371 VanDerWaalsContact O-N 3.13Å
370P65.3Low56.1Low124 Ų124133.8 Ų133.881%0.80575%0.749SS**PPolyproline II helixtrans-57.1124.517125.1-32.6000107.8L372P370-L372 PolarHBondContact O-N 3.23Å
371L62Low55.2Low156 Ų156134.7 Ų134.782%0.81776%0.757SS**PPolyproline II helixtrans-55.8140.1173.8-66.9175.7000108.2P369 V373P369-L371 PolarHBondContact O-N 3.46Å; P369-L371 VanDerWaalsContact O-N 3.13Å; L371-V373 PolarHBondContact O-N 3.03Å
372L57.2Low54.3Low152 Ų152131.4 Ų131.480%0.79675%0.752SS**  trans-65.587.8177.3-74.5168.6000109.5P370 F374P370-L372 PolarHBondContact O-N 3.23Å; L372-F374 HydrophobicContact CB-CE2 4.26Å; L372-F374 VanDerWaalsContact O-CD2 3.3Å; L372-F374 WeakPolarHBondContact O-CD2 3.48Å; L372-F374 PolarHBondContact O-N 3.33Å
373V61Low54.1Low132 Ų132130.9 Ų130.980%0.875%0.749SS**  trans-67.891.1164.1179.40000106L371L371-V373 PolarHBondContact O-N 3.03Å
374F62.8Low52.8Low169 Ų169131.9 Ų131.974%0.74175%0.754SS**  trans-53.8136.3165.1-71.9-92000108.1L372L372-F374 HydrophobicContact CB-CE2 4.26Å; L372-F374 VanDerWaalsContact O-CD2 3.3Å; L372-F374 WeakPolarHBondContact O-CD2 3.48Å; L372-F374 PolarHBondContact O-N 3.33Å
375P59.8Low52.1Low109 Ų109131.2 Ų131.271%0.70876%0.76SS**  trans-56.6138.816926.5-33.7000108A377P375-A377 PolarHBondContact O-N 3.44Å
376P51.5Low51.6Low125 Ų125131.7 Ų131.781%0.81276%0.763SS**  trans-60113.8-176.624-33.2000109.3
377A46.8Very low51Low84 Ų84135.2 Ų135.269%0.69477%0.773SS**PPolyproline II helixtrans-58.4136.3169.300000108.2P375 A379P375-A377 PolarHBondContact O-N 3.44Å; A377-A379 PolarHBondContact O-N 2.87Å; A377-A379 VanDerWaalsContact O-N 3.14Å
378P47.2Very low50.3Low125 Ų125131.8 Ų131.881%0.81277%0.768SS**PPolyproline II helixtrans-51.3124.4175.6-27.835.5000110.3Q380P378-Q380 PolarHBondContact O-N 3.19Å
379A41.1Very low49.7Very low101 Ų101126.3 Ų126.384%0.83576%0.759SS**PPolyproline II helixtrans-59.3136.3-174.700000110.3A377 C381A377-A379 PolarHBondContact O-N 2.87Å; A377-A379 VanDerWaalsContact O-N 3.14Å; A379-C381 PolarHBondContact O-N 3.38Å
380Q42.4Very low48.7Very low177 Ų177128.2 Ų128.283%0.82776%0.763SS**PPolyproline II helixtrans-70.7130.9178.5-63.9-156.7-10.200110.6P378P378-Q380 PolarHBondContact O-N 3.19Å
381C35Very low47.9Very low134 Ų134127.6 Ų127.691%0.90576%0.758SS**  trans-99.6103.6154.6-159.20000107.7A379A379-C381 PolarHBondContact O-N 3.38Å
382S42.1Very low47.3Very low78 Ų78125.8 Ų125.855%0.54576%0.755SS.*  trans-95.8-178.9167.8-43.10000109
383P52.2Low46.7Very low102 Ų102125.5 Ų125.566%0.66275%0.753SS**  -126.8-165.1-63.834-16.4000111.2
384N30.8Very low45.7Very low140 Ų140125.7 Ų125.775%0.74975%0.75SS**  trans87.2162.8165.2-46.7-24000117.6
385S45.2Very low44.6Very low116 Ų116123.5 Ų123.581%0.81175%0.75SS**  trans60.4117.7-164.316.80000112.3
386D45.9Very low43.6Very low153 Ų153122.4 Ų122.482%0.81875%0.751SS**  cis58.986.928-156.822.4000113.3
387E43.2Very low43.1Very low178 Ų178125.3 Ų125.383%0.83275%0.75SS**  trans-158.790.2151.7-173.167.9-154.500107.1
388S40.9Very low42.8Very low100 Ų100127.1 Ų127.170%0.69975%0.748SS**  trans-97.4146.5155.2-141.30000105.8
389P48.9Very low42.5Very low94 Ų94127.8 Ų127.861%0.6175%0.752SS**  -161.8-166.263.741.7-18.3000117.4
390L41.3Very low42.2Very low144 Ų144130.2 Ų130.275%0.75475%0.748SS**  trans70.7106.4155.6-63-175.2000118.4
391T49.5Very low42.3Very low111 Ų111130 Ų13068%0.68175%0.752SS**  75.7154.474.864.30000113.7
392P49.1Very low42.2Very low118 Ų118130.9 Ų130.977%0.76674%0.743SS**  cis-99159.624.941.3-36.6000113.9
393L44.1Very low41.8Very low145 Ų145132 Ų13276%0.75974%0.743SS**  cis71.214840.5-150.776.9000112.8
394D40.6Very low41Very low137 Ų137134.5 Ų134.573%0.73375%0.745SS**  trans74.5146176.7-68.30.2000118.5
395V38.8Very low41.9Very low122 Ų122132.4 Ų132.474%0.73974%0.739SS**  cis-154.2133.1-24.7114.70000110.3
396A39.4Very low41.1Very low87 Ų87137.2 Ų137.272%0.71974%0.741SS**  trans47.7169.4150.700000124.2
397K39.8Very low40.3Very low185 Ų185134.2 Ų134.280%0.80473%0.732SS**  trans69.2108.4153.6-77.2-176.3174.5-179.60121.5
398L40.5Very low39.8Very low123 Ų123135.4 Ų135.464%0.64473%0.734SS**  51.2123118.1-59.9175.1000119.9M400L398-M400 HydrophobicContact CB-CG 4.33Å; L398-M400 HydrophobicContact CD1-CG 4.38Å; L398-M400 HydrophobicContact CD1-SD 4.03Å; L398-M400 PolarHBondContact O-N 3Å
399P42Very low39.6Very low138 Ų138135.8 Ų135.890%0.89674%0.737SS**  trans-71.9103.5149.131.3-30.1000109.4
400M35.2Very low39.5Very low152 Ų152136.6 Ų136.675%0.74974%0.742SS**  trans-112142.7163.7-83.3-176.564.300109.6L398L398-M400 HydrophobicContact CB-CG 4.33Å; L398-M400 HydrophobicContact CD1-CG 4.38Å; L398-M400 HydrophobicContact CD1-SD 4.03Å; L398-M400 PolarHBondContact O-N 3Å
401L43.4Very low39.2Very low173 Ų173135.4 Ų135.491%0.90674%0.741SS**  trans-130.7106.2-166.9-171.3164.1000110.4
402E33.6Very low38.6Very low153 Ų153135.2 Ų135.272%0.71574%0.744SS**  trans-154.1148.6171.1-89-170.8106.800106.5
403N34.2Very low38Very low102 Ų102134.6 Ų134.655%0.54574%0.743SS.*  cis-159.214411.6-122.5-29.8000113.5
404Q35.7Very low37.3Very low154 Ų154134.6 Ų134.672%0.7274%0.743SS**  trans62.8166.7148.1-60.4-39.1-51.700121.4
405P49Very low37Very low96 Ų96136.2 Ų136.262%0.62375%0.747SS**  cis-137.8150-39.833.7-17.7000115.2
406Y27.7Very low37.2Very low217 Ų217135.1 Ų135.185%0.85174%0.742SS**  -176.1145.7115.3-126.2-111.6000115.5
407S30Very low37.7Very low89 Ų89136.4 Ų136.462%0.62274%0.743SS**  trans49.5107157.550.70000123.1
408K31.7Very low38.1Very low204 Ų204133.5 Ų133.589%0.88774%0.743SS**  40.7139118.8-55.8168.9-175.5178.20119.4
409S37.9Very low37.7Very low107 Ų107133.1 Ų133.175%0.74875%0.751SS**  cis169.9174.9-5.451.30000108.2
410P47Very low37Very low111 Ų111131.4 Ų131.472%0.72175%0.749SS**  cis-138.6-178.1-5.336.5-14000118.1
411T34.2Very low36.7Very low120 Ų120132.5 Ų132.574%0.73675%0.751SS**  trans81.5106.4147.529.20000126.1
412S37Very low36.3Very low107 Ų107130.3 Ų130.375%0.74874%0.739SS**  51.5144.5129.955.50000124.2
413S36.6Very low36.1Very low105 Ų105132.2 Ų132.273%0.73474%0.74SS**  cis-173.3158.9-5.8510000114.8
414N28.7Very low36.1Very low144 Ų144138.2 Ų138.277%0.7776%0.755SS**  trans74.8116154.2-78.326.9000124.5
415E34.5Very low35.9Very low171 Ų171137.6 Ų137.680%0.79975%0.752SS**  49.8155.9118.3-81.1-134.8117.600124.4
416P43.9Very low35.3Very low100 Ų100140.4 Ų140.465%0.64976%0.761SS**  cis-138.8-133-27.840.6-18.2000114.5
417P49.9Very low35.4Very low113 Ų113136.4 Ų136.473%0.73476%0.759SS**  trans-122.6-149.8-13739-12.5000111.4
418P46.9Very low35.5Very low124 Ų124136.7 Ų136.781%0.80577%0.767SS**  cis-134.9-155.4-7.144.4-24.9000114.2
419S32.1Very low35.3Very low115 Ų115133.1 Ų133.180%0.80476%0.763SS**  trans-136.6168.216565.20000110.8
420A28.8Very low35.6Very low103 Ų103133.3 Ų133.385%0.85176%0.761SS**  trans-112.1136.2-175.500000113.1
421H28.8Very low34.6Very low174 Ų174133.8 Ų133.881%0.80676%0.762SS**  trans-154.7159.8-172.3-142.116.2000111.9
422I33.4Very low34.7Very low128 Ų128135.3 Ų135.366%0.65677%0.765SS**  trans79.1117.5148.7-74.8166.1000121.7
423R29.7Very low34.4Very low193 Ų193135.7 Ų135.773%0.72876%0.763SS**  trans60.4162.6140.6-66.7178.372-157.96.1123E425R423-E425 IonicContact CZ-OE1 2.65Å; R423-E425 IonicContact CZ-OE2 3.92Å; R423-E425 IonicContact NE-OE2 3.96Å; R423-E425 IonicContact NH1-OE1 2.69Å; R423-E425 IonicContact NH2-OE1 2.68Å; R423-E425 PolarHBondContact NH2-OE1 3.01Å; R423-E425 IonicContact NH2-OE2 2.75Å; R423-E425 PolarHBondContact NH2-OE2 3.24Å
424R35.1Very low34.2Very low227 Ų227137.1 Ų137.186%0.85777%0.767SS**  trans-119.5145.6171.6-58.4171.317287-1107.6
425E30.3Very low34.4Very low142 Ų142136 Ų13666%0.66477%0.77SS**  trans174.6144.2157.2-94.313153.400106R423R423-E425 IonicContact CZ-OE1 2.65Å; R423-E425 IonicContact CZ-OE2 3.92Å; R423-E425 IonicContact NE-OE2 3.96Å; R423-E425 IonicContact NH1-OE1 2.69Å; R423-E425 IonicContact NH2-OE1 2.68Å; R423-E425 PolarHBondContact NH2-OE1 3.01Å; R423-E425 IonicContact NH2-OE2 2.75Å; R423-E425 PolarHBondContact NH2-OE2 3.24Å
426L36.1Very low34.3Very low154 Ų154131 Ų13181%0.80677%0.765SS**  cis-157.6160.5-12.4-109.6172.7000107.3
427T31.1Very low33.9Very low134 Ų134138.1 Ų138.182%0.82278%0.779SS**  trans158.1132.7144.1-72.90000113.5
428A32Very low33.1Very low94 Ų94138.5 Ų138.578%0.77778%0.784SS**  trans61.6141.615800000122.9
429T27.5Very low32.5Very low130 Ų130138.7 Ų138.780%0.79879%0.789SS**  trans-77176.316348.20000111.6
430P43.3Very low32.7Very low110 Ų110137.7 Ų137.771%0.71479%0.787SS**  cis-142162.515.144.6-26.1000118.8
431T27.3Very low33.3Very low122 Ų122138.6 Ų138.675%0.74879%0.785SS**  44.7120.2128.4-500000123
432L35.6Very low34.1Very low151 Ų151136.2 Ų136.279%0.79178%0.784SS**  trans94.7140.8145.6-83.5172.1000124.3
433T31.2Very low34.3Very low116 Ų116138 Ų13871%0.71279%0.794SS**  trans78.7115.9152.444.80000123.9
434V32.1Very low35Very low134 Ų134134.8 Ų134.881%0.81280%0.798SS**  83.4122.6129.5173.70000120.8
435S33Very low34.8Very low121 Ų121130.3 Ų130.385%0.84680%0.8SS**  trans55.9111.2153-159.30000119.6
436G31.8Very low35.1Very low67 Ų67128.2 Ų128.269%0.69181%0.808SS**  trans-146.1131158.100000112.1
437R36.3Very low34.9Very low249 Ų249128.7 Ų128.794%0.9481%0.81SS**  -178.7151.1124.5-96.3176.595.6178.56.3112.8
438S32.1Very low34.9Very low121 Ų121131.8 Ų131.885%0.84681%0.808SS**  trans75.2102.1164.474.20000120.8
439S34Very low34.9Very low128 Ų128135.3 Ų135.390%0.89581%0.806SS**  trans-147.2159.6138.957.50000108.6
440A37.3Very low35Very low94 Ų94133.6 Ų133.678%0.77780%0.799SS**  trans-113.2157.8-169.500000112.8
441P41.7Very low34.4Very low122 Ų122133.1 Ų133.179%0.79280%0.799SS**  trans-77.4158.5179.131.9-35.7000113.7
442P44.7Very low34.5Very low123 Ų123132.9 Ų132.980%0.79980%0.802SS**  trans-94.8171.9-169.937.9-37.5000115.5
443L37.9Very low34.3Very low165 Ų165130.9 Ų130.986%0.86480%0.8SS**  trans-106.2148.4173-59.4174.5000111.8
444P44Very low34.3Very low126 Ų126130.5 Ų130.582%0.81880%0.803SS**  trans-90.6160.3171.435.9-33.9000113.4
445C31.3Very low34.2Very low133 Ų133128.6 Ų128.690%0.89980%0.795SS**  trans-121.9155.6-175-73.80000114.7
446A37.9Very low34Very low99 Ų99133 Ų13382%0.81880%0.795SS**  trans-41.2155.5-17500000120.9
447L31.9Very low34Very low164 Ų164136 Ų13686%0.85979%0.791SS**  trans-149.1117.9159.6-107.6168.4000114.5
448Y30.3Very low33.9Very low199 Ų199133.7 Ų133.778%0.7878%0.782SS**  trans41127145.5-99-137.4000126.9
449K32.9Very low34.2Very low167 Ų167132.1 Ų132.173%0.72677%0.771SS**  70.7119.6128.5-86.7-162.7177.1-174.10125.3
450S28.4Very low34.5Very low94 Ų94134.6 Ų134.666%0.65777%0.768SS**  83.8110.5118.6-66.80000124.7
451S31.7Very low34.5Very low101 Ų101135.6 Ų135.671%0.70677%0.77SS**  80.8124.8122.8-54.50000123.4
452S28.8Very low34Very low116 Ų116134 Ų13481%0.81177%0.766SS**  trans62.8146.9149.138.80000119.6
453S31.4Very low33.4Very low109 Ų109133.5 Ų133.576%0.76277%0.765SS**  cis-167.3160.9-446.90000112.5
454S30.6Very low33.7Very low108 Ų108132 Ų13276%0.75577%0.765SS**  trans81.6138.2151.3-161.60000121.9
455S29.4Very low33.2Very low94 Ų94130.9 Ų130.966%0.65776%0.76SS**  trans67.4107.3143.748.10000123.9
456Y29.1Very low33.7Very low214 Ų214130.6 Ų130.684%0.83976%0.757SS**  89.1141.9129-92.7-112.5000123.4
457Q33.4Very low33.7Very low131 Ų131132.4 Ų132.461%0.61276%0.757SS**  trans69.5110163.3-68.4-54.9-68.200122.3
458R32.9Very low34.2Very low200 Ų200129.8 Ų129.876%0.75575%0.753SS**  73.9103.2116-170.9175.9-75.1-1001.5120.3
459S37.8Very low34.4Very low88 Ų88128.9 Ų128.962%0.61576%0.758SS**  trans49.5119.9135.3-49.30000120.5
460H41.1Very low34.9Very low179 Ų179123.9 Ų123.983%0.82975%0.754SS**  167.8158.8103-86.8-70.8000112.1
461S36.6Very low35.4Very low116 Ų116131.1 Ų131.181%0.81177%0.767SS**  trans79.7147.9162.281.80000121.3
462A32.8Very low35.6Very low87 Ų87132.7 Ų132.772%0.71978%0.776SS**  trans69.4131.8148.700000123
463C32.2Very low36.3Very low113 Ų113134.7 Ų134.776%0.76478%0.777SS**  trans27.6119.4155.156.40000122.2S465C463-S465 PolarHBondContact O-N 3.32Å
464P43.7Very low36.6Very low135 Ų135135.7 Ų135.788%0.87778%0.779SS**  trans-81.6103.3162.732.9-31000111.5
465S33.2Very low37.3Very low101 Ų101136.5 Ų136.571%0.70678%0.781SS**  trans-83.6135.5160.2-171.20000109.4C463 V467C463-S465 PolarHBondContact O-N 3.32Å; S465-V467 PolarHBondContact O-N 3.15Å
466P42.1Very low37.9Very low128 Ų128139.5 Ų139.583%0.83179%0.789SS**  trans-75.8111.5-16828.7-34.9000113.1
467V37.6Very low38.5Very low137 Ų137135.2 Ų135.283%0.8379%0.791SS**  trans-95.3124.4171.2178.20000110.6S465 M469S465-V467 PolarHBondContact O-N 3.15Å; V467-M469 PolarHBondContact O-N 2.89Å
468S41.6Very low38.9Very low109 Ų109137.1 Ų137.176%0.76280%0.804SS**  trans-82.2103.3-178.4163.80000113
469M35.9Very low39Very low179 Ų179136.3 Ų136.388%0.88281%0.811SS**  trans-163140.4156-141.27067.800107.8V467V467-M469 PolarHBondContact O-N 2.89Å
470G41.8Very low39.2Very low63 Ų63143.9 Ų143.965%0.64983%0.826SS**  cis156.1135.1-5.600000110.2
471R39.8Very low39Very low245 Ų245141.4 Ų141.493%0.92582%0.824SS**  trans57.686.1167.8-52.6-179.8-172.2-150.9-0.5116.4L473R471-L473 PolarHBondContact O-N 3.5Å
472C35.4Very low39.1Very low134 Ų134141.5 Ų141.591%0.90582%0.822SS**PPolyproline II helixtrans-66.1116.1160.346.70000110.9
473L44.3Very low39.6Very low159 Ų159143.2 Ų143.283%0.83283%0.825SS**PPolyproline II helixtrans-103.6146.7163.4-72.8176.7000109.5R471 P475R471-L473 PolarHBondContact O-N 3.5Å; L473-P475 WeakPolarHBondContact O-CD 3.47Å
474T38.2Very low39.7Very low130 Ų130147.6 Ų147.680%0.79883%0.832SS**PPolyproline II helixtrans-70.1124.4-172.447.80000113.1L476T474-L476 PolarHBondContact O-N 2.95Å
475P44.4Very low39.3Very low124 Ų124148.4 Ų148.481%0.80583%0.828SS**  trans-86.297.4170.732.9-31000111L473L473-P475 WeakPolarHBondContact O-CD 3.47Å
476L41.3Very low39.3Very low158 Ų158147.9 Ų147.983%0.82783%0.83SS**  trans-135.387.7166.4-77.5-178.9000111T474T474-L476 PolarHBondContact O-N 2.95Å
477S41.8Very low39.3Very low124 Ų124148 Ų14887%0.86783%0.831SS**  trans-173.1155.5146.8-86.20000111.5
478L42.7Very low39.5Very low171 Ų171148 Ų14890%0.89582%0.824SS**  trans-66.9153.9-173.8-101.359000114.4
479M35.6Very low39.7Very low183 Ų183148.5 Ų148.590%0.90182%0.824SS**  trans-54.9146.3158.2-65.3-8791.200111.3
480R41.6Very low39.6Very low247 Ų247148.5 Ų148.593%0.93282%0.82SS**  trans-139.1140.8158.9-163.3169.8-176.6117.50.6110.2
481T35.9Very low39.7Very low127 Ų127151.2 Ų151.278%0.77983%0.826SS**PPolyproline II helixtrans-79.9160.9-174.838.50000113.1
482P40.2Very low39.3Very low118 Ų118143.5 Ų143.577%0.76682%0.823SS**PPolyproline II helixtrans-69162.8-177.828.3-36.4000114.1
483P42.6Very low39.2Very low122 Ų122141 Ų14179%0.79282%0.819SS**PPolyproline II helixtrans-87.8158.8-174.136.1-36.6000114.3
484F34.4Very low39Very low206 Ų206141.6 Ų141.690%0.90482%0.822SS**  trans-153.6171.5160.3-126-88.3000110.6
485D35.4Very low39.7Very low151 Ų151140.2 Ų140.281%0.80782%0.816SS**  trans-79.3175.7-157-81.6-65.3000119.9
486A32.3Very low39.4Very low90 Ų90145.1 Ų145.174%0.74482%0.818SS**  trans-67.6178.6-176.400000114.9
487P42.4Very low39.1Very low130 Ų130142.8 Ų142.884%0.84482%0.815SS**  cis-141.1-172.920.542.3-20.4000118.9
488M42.3Very low38.5Very low139 Ų139141 Ų14169%0.68581%0.807SS**  trans-83.6161-172.6-71.6-76.4-65.700115.2F490M488-F490 HydrophobicContact CE-CE1 4.41Å; M488-F490 HydrophobicContact CE-CE2 4.49Å; M488-F490 HydrophobicContact CE-CZ 4.4Å
489P44.7Very low38Very low118 Ų118138.8 Ų138.877%0.76681%0.807SS**  -142.5177.498.735.3-18000117.2
490F33.5Very low37.7Very low179 Ų179134.2 Ų134.279%0.78580%0.798SS**  trans-80.5-175.8-174.7-69.8-86000114M488M488-F490 HydrophobicContact CE-CE1 4.41Å; M488-F490 HydrophobicContact CE-CE2 4.49Å; M488-F490 HydrophobicContact CE-CZ 4.4Å
491P45.5Very low37.2Very low121 Ų121128.9 Ų128.979%0.78679%0.793SS**  cis-144.717011.343.6-24.4000120.2
492G30.4Very low37.6Very low83 Ų83128.2 Ų128.286%0.85679%0.791SS**  trans85.6117132.300000121
493G32.6Very low37.2Very low81 Ų81131.7 Ų131.784%0.83580%0.796SS**  trans163.996.5166.200000115.9
494L40.8Very low36.7Very low171 Ų171129.1 Ų129.190%0.89579%0.792SS**  trans-117.2167.8170.5-84.7173.3000108.5
495P52.4Low36.8Very low101 Ų101129.9 Ų129.966%0.65680%0.795SS**  cis-149175.328.944.8-25.7000119.2
496R38.2Very low36.6Very low228 Ų228126.4 Ų126.486%0.8680%0.795SS**  trans63.8139.1156.6-70.1161.3173.5169.5-3.1117.6
497S34.9Very low36.8Very low109 Ų109127.7 Ų127.776%0.76280%0.798SS**  cis-172.4167.2-8.9-95.90000108.8
498A30.5Very low36.7Very low85 Ų85124.2 Ų124.270%0.70278%0.775SS**  cis-178.2159.4-29.700000109.1
499S32.4Very low37.2Very low126 Ų126122 Ų12288%0.88177%0.771SS**  trans72.2134.6162.3-149.20000117.9
500A29.8Very low36.5Very low87 Ų87123.2 Ų123.272%0.71977%0.767SS**  cis-159.2174.6-13.800000111.8
501T30.1Very low36.3Very low135 Ų135122.7 Ų122.783%0.82877%0.767SS**  trans-132.1-166.7-173.447.50000110
502P44.3Very low35.5Very low112 Ų112120.5 Ų120.573%0.72777%0.766SS**  cis-128.6-149.8-49.233.9-13.8000113.3
503H31.9Very low35.5Very low192 Ų192123.6 Ų123.689%0.88977%0.768SS**  trans-74.4164.3-172.9-32.9-63.4000118.1
504G32Very low35.3Very low67 Ų67123 Ų12369%0.69176%0.763SS**  126.9117.3102.400000122.9
505K37.1Very low35.1Very low222 Ų222127.2 Ų127.297%0.96577%0.766SS**  trans61.9139.4140.5-56.9-176-180-178.50122.8
506G30.2Very low34.1Very low79 Ų79131 Ų13181%0.81478%0.78SS**  trans161.7133.2154.600000115.6
507S36.9Very low33.9Very low117 Ų117128.8 Ų128.882%0.81878%0.779SS**  trans-163.3137.2173.5590000113
508P40.3Very low33.8Very low56 Ų56127.1 Ų127.136%0.36478%0.779SS.*  -148167.5126.916.98.5000116.7T101 I102T101-P508 WeakPolarHBondContact CA-O 3.47Å; T101-P508 HydrophobicContact CG2-CG 3.84Å; T101-P508 PolarHBondContact N-O 2.8Å; T101-P508 WeakPolarHBondContact OG1-CD 3.37Å; T101-P508 WeakPolarHBondContact OG1-CG 3.43Å; I102-P508 WeakPolarHBondContact O-CB 3.33Å
509P52.6Low34Very low92 Ų92128.1 Ų128.160%0.59778%0.781SS**  trans-108.1178.6-170.140.8-45.2000119.8T101 I102T101-P509 CarbonylContact C-O 3.57Å; I102-P509 CarbonylContact C-O 3.55Å; I102-P509 PolarHBondContact N-O 3.07Å; I102-P509 WeakPolarHBondContact O-CD 3.26Å; I102-P509 WeakPolarHBondContact O-CG 3.37Å
510Q30.2Very low34.2Very low145 Ų145130 Ų13068%0.67878%0.778SS**  trans-152.1143.4149.1-163171.6-4.100113.6
511E28.4Very low34.4Very low168 Ų168134.9 Ų134.979%0.78579%0.786SS**  trans42.4129.5159.5-76.5165.3-130.700126.6
512G29.1Very low34.8Very low74 Ų74135 Ų13576%0.76378%0.782SS**  trans80.7149.7140.500000119.4
513V30.5Very low34.3Very low148 Ų148136.3 Ų136.390%0.89779%0.787SS**  cis-143.7141.6-18.6-173.50000106.6
514G29.6Very low34.3Very low70 Ų70132.5 Ų132.572%0.72278%0.782SS**  trans-86.3170.1-164.100000117.7
515R36.4Very low34.8Very low258 Ų258136.4 Ų136.497%0.97479%0.793SS**  trans-155.1149.2144.2-104163.3-160.3-110.41.6109.7
516L31.7Very low35Very low181 Ų181129.4 Ų129.495%0.94878%0.783SS**  trans-90.6133.3-169.9-72.9156.5000112.1
517H33.7Very low35.3Very low181 Ų181136.6 Ų136.684%0.83879%0.786SS**  trans-90102.1170-173.3-77.7000110.2
518G32Very low35.6Very low74 Ų74136 Ų13676%0.76378%0.782SS**  trans-90.3123.117800000112.7
519S34.8Very low35.9Very low106 Ų106144 Ų14474%0.74181%0.805SS**  trans-154.4156.4151.8-163.40000111.5
520M35.8Very low35.4Very low166 Ų166145.2 Ų145.282%0.81881%0.811SS**  trans-68.2139.5-163.3-60.2165.765.100113.3
521Q35.9Very low36Very low189 Ų189144.7 Ų144.788%0.88382%0.82SS**  trans-133.6125.6164.4-63.1-169.918.400109.8
522N38.3Very low37.2Very low139 Ų139140 Ų14074%0.74380%0.803SS**  trans-77.2145.3-173.4-70.3-34.2000112.4S524N522-S524 PolarHBondContact O-N 2.86Å; N522-S524 PolarHBondContact O-OG 3.32Å
523V33.6Very low38.7Very low139 Ų139139.4 Ų139.484%0.84279%0.787SS**  trans-62.9105-174.1-76.20000113.1T525V523-T525 PolarHBondContact O-N 2.84Å
524S30.3Very low40.4Very low111 Ų111136.9 Ų136.978%0.77677%0.774SS**  trans-94.481.3176.2-64.20000111.3N522 G526N522-S524 PolarHBondContact O-N 2.86Å; N522-S524 PolarHBondContact O-OG 3.32Å; S524-G526 VanDerWaalsContact C-N 3.27Å; S524-G526 PolarHBondContact O-N 3.26Å
525T44.1Very low42.5Very low150 Ų150139.3 Ų139.392%0.9277%0.77SS**THydrogen-bonded Turntrans-71.976.9173.622.10000111.6V523V523-T525 PolarHBondContact O-N 2.84Å
526G40.8Very low44Very low74 Ų74130.3 Ų130.376%0.76374%0.741SS**THydrogen-bonded Turntrans-178.218.5179.400000116.6S524 S528S524-G526 VanDerWaalsContact C-N 3.27Å; S524-G526 PolarHBondContact O-N 3.26Å; G526-S528 PolarHBondContact O-N 3.49Å
527R36Very low46.2Very low230 Ų230127.8 Ų127.887%0.86872%0.724SS**  trans-72.8114.2-178.6-165.9176.8-167-89.26111R529R527-R529 PolarHBondContact O-N 3.09Å
528S44.3Very low48.1Very low105 Ų105123.3 Ų123.373%0.73471%0.706SS**  trans-29.9120169.4177.70000113.2G526G526-S528 PolarHBondContact O-N 3.49Å
529R46Very low49.8Very low223 Ų223123.7 Ų123.784%0.84269%0.693SS**  trans-104.4141.6164.8-79-173.9162.2-156.6-5.5108.7R527R527-R529 PolarHBondContact O-N 3.09Å
530T41.4Very low51.4Low119 Ų119123.4 Ų123.473%0.7368%0.683SS**PPolyproline II helixtrans-55.6150167.239.90000111T532T530-T532 PolarHBondContact O-N 3.19Å; T530-T532 VanDerWaalsContact O-N 3.1Å
531P44.1Very low53.3Low133 Ų133121 Ų12186%0.86467%0.673SS**PPolyproline II helixtrans-57.9117.2-179.724.3-34.1000110.7
532T52.4Low54.7Low70 Ų70119 Ų11943%0.42966%0.662SS.*PPolyproline II helixtrans-80.6169.5173.840.90000111T530 D536T530-T532 PolarHBondContact O-N 3.19Å; T530-T532 VanDerWaalsContact O-N 3.1Å; T532-D536 WeakPolarHBondContact CB-OD2 3.34Å
533S60.4Low55.7Low61 Ų61116 Ų11643%0.42765%0.649SS.*PPolyproline II helixtrans-67.3147.1178-1760000110.4L535 D536 E537S533-L535 PolarHBondContact O-N 2.91Å; S533-L535 PolarHBondContact OG-N 2.95Å; S533-D536 WeakPolarHBondContact CB-OD2 3.36Å; S533-D536 PolarHBondContact N-OD2 3.08Å; S533-D536 WeakPolarHBondContact O-CB 3.42Å; S533-D536 PolarHBondContact O-N 2.76Å; S533-E537 PolarHBondContact O-N 3.25Å
534P66.6Low57.1Low96 Ų96113.2 Ų113.262%0.62363%0.632SS**Hα-helixtrans-53.7-25.2170.3-2735.5000113.5E537 L538P534-E537 PolarHBondContact O-N 3.03Å; P534-L538 PolarHBondContact O-N 3.37Å
535L73.8Confident58.4Low121 Ų121110.3 Ų110.363%0.63462%0.62SS**Hα-helixtrans-69.9-29.8175.3-154.671.3000112.9S533 T539S533-L535 PolarHBondContact O-N 2.91Å; S533-L535 PolarHBondContact OG-N 2.95Å; L535-T539 WeakPolarHBondContact O-CB 3.42Å; L535-T539 PolarHBondContact O-N 2.75Å; L535-T539 PolarHBondContact O-OG1 3.46Å
536D68.6Low59Low69 Ų69112.6 Ų112.637%0.36961%0.611SS.*Hα-helixtrans-71.7-37.4174.8-60.8-48.8000110.7T532 S533 T539 N540T532-D536 WeakPolarHBondContact CB-OD2 3.34Å; S533-D536 WeakPolarHBondContact CB-OD2 3.36Å; S533-D536 PolarHBondContact N-OD2 3.08Å; S533-D536 WeakPolarHBondContact O-CB 3.42Å; S533-D536 PolarHBondContact O-N 2.76Å; D536-T539 PolarHBondContact O-N 3.46Å; D536-N540 PolarHBondContact O-N 2.88Å; D536-N540 PolarHBondContact O-ND2 3.3Å
537E76.7Confident59.7Low128 Ų128114.8 Ų114.860%0.59861%0.606SS**Hα-helixtrans-62.7-45.9176.8-61.7-174.7175.700111.1S533 P534 T539 N540 L541S533-E537 PolarHBondContact O-N 3.25Å; P534-E537 PolarHBondContact O-N 3.03Å; E537-T539 PolarHBondContact O-N 2.86Å; E537-N540 PolarHBondContact O-N 3.47Å; E537-L541 WeakPolarHBondContact O-CB 3.45Å; E537-L541 PolarHBondContact O-N 3.02Å
538L73.2Confident60.4Low87 Ų87111.9 Ų111.946%0.45560%0.604SS.*Hα-helixtrans-61.7-41.2172.6-66.3175.6000112.2P534 N540 L541 F542P534-L538 PolarHBondContact O-N 3.37Å; L538-N540 VanDerWaalsContact C-N 3.35Å; L538-N540 PolarHBondContact O-N 3.47Å; L538-L541 WeakPolarHBondContact O-CB 3.49Å; L538-L541 PolarHBondContact O-N 2.89Å; L538-L541 VanDerWaalsContact O-N 3.14Å; L538-F542 HydrophobicContact CB-CD2 4.47Å; L538-F542 HydrophobicContact CB-CE2 4.36Å; L538-F542 WeakPolarHBondContact O-CD2 3.02Å; L538-F542 PolarHBondContact O-N 3.03Å
539T68.7Low61Low81 Ų81115.1 Ų115.150%0.49761%0.612SS.*Hα-helixtrans-64.2-39.4178.2-59.10000111.8L535 D536 E537 T543L535-T539 WeakPolarHBondContact O-CB 3.42Å; L535-T539 PolarHBondContact O-N 2.75Å; L535-T539 PolarHBondContact O-OG1 3.46Å; D536-T539 PolarHBondContact O-N 3.46Å; E537-T539 PolarHBondContact O-N 2.86Å; T539-T543 WeakPolarHBondContact O-CG2 3.49Å; T539-T543 PolarHBondContact O-N 3.41Å; T539-T543 VanDerWaalsContact O-N 3.16Å; T539-T543 PolarHBondContact O-OG1 3.1Å
540N68.5Low61Low100 Ų100113.7 Ų113.754%0.53561%0.612SS.*Hα-helixtrans-67.5-36.4172-76.2-74.4000111.9D536 E537 L538 T543 T544D536-N540 PolarHBondContact O-N 2.88Å; D536-N540 PolarHBondContact O-ND2 3.3Å; E537-N540 PolarHBondContact O-N 3.47Å; L538-N540 VanDerWaalsContact C-N 3.35Å; L538-N540 PolarHBondContact O-N 3.47Å; N540-T543 WeakPolarHBondContact CA-OG1 3.5Å; N540-T543 PolarHBondContact O-OG1 3.48Å; N540-T543 VanDerWaalsContact O-OG1 3.12Å; N540-T544 WeakPolarHBondContact O-CB 3.39Å; N540-T544 PolarHBondContact O-N 3.28Å; N540-T544 PolarHBondContact O-OG1 3.14Å
541L75Confident61.4Low115 Ų115117 Ų11760%0.60262%0.616SS**Hα-helixtrans-66.8-45.4177.4-168.966.7000112.1E537 L538 T543 T544 G545E537-L541 WeakPolarHBondContact O-CB 3.45Å; E537-L541 PolarHBondContact O-N 3.02Å; L538-L541 WeakPolarHBondContact O-CB 3.49Å; L538-L541 PolarHBondContact O-N 2.89Å; L538-L541 VanDerWaalsContact O-N 3.14Å; L541-T543 VanDerWaalsContact C-N 3.35Å; L541-T543 PolarHBondContact O-N 3.19Å; L541-T544 PolarHBondContact O-N 3.3Å; L541-G545 WeakPolarHBondContact O-CA 3.16Å; L541-G545 PolarHBondContact O-N 3.29Å
542F65.1Low61.2Low148 Ų148117 Ų11765%0.64961%0.609SS**Hα-helixtrans-71.1-25.6178.4-73.2-61.8000114L538L538-F542 HydrophobicContact CB-CD2 4.47Å; L538-F542 HydrophobicContact CB-CE2 4.36Å; L538-F542 WeakPolarHBondContact O-CD2 3.02Å; L538-F542 PolarHBondContact O-N 3.03Å
543T60.4Low60.7Low77 Ų77118.7 Ų118.747%0.47263%0.63SS.*Hα-helixtrans-81.6-41.1172.747.60000112.1T539 N540 L541T539-T543 WeakPolarHBondContact O-CG2 3.49Å; T539-T543 PolarHBondContact O-N 3.41Å; T539-T543 VanDerWaalsContact O-N 3.16Å; T539-T543 PolarHBondContact O-OG1 3.1Å; N540-T543 WeakPolarHBondContact CA-OG1 3.5Å; N540-T543 PolarHBondContact O-OG1 3.48Å; N540-T543 VanDerWaalsContact O-OG1 3.12Å; L541-T543 VanDerWaalsContact C-N 3.35Å; L541-T543 PolarHBondContact O-N 3.19Å
544T63.5Low59.6Low79 Ų79122 Ų12249%0.48565%0.653SS.*Hα-helixtrans-72.2-34.1178-55.10000112.7N540 L541 R546 N547N540-T544 WeakPolarHBondContact O-CB 3.39Å; N540-T544 PolarHBondContact O-N 3.28Å; N540-T544 PolarHBondContact O-OG1 3.14Å; L541-T544 PolarHBondContact O-N 3.3Å; T544-R546 PolarHBondContact O-N 3.14Å; T544-R546 VanDerWaalsContact O-N 3.12Å; T544-N547 VanDerWaalsContact O-CB 3.29Å; T544-N547 WeakPolarHBondContact O-CB 3.39Å; T544-N547 VanDerWaalsContact O-CG 3.23Å; T544-N547 PolarHBondContact O-N 3.38Å; T544-N547 PolarHBondContact O-ND2 3.35Å
545G57.3Low58.2Low50 Ų50121 Ų12152%0.51566%0.66SS.*G310 helixtrans-61.3-22.4-174.900000115.1L541 N547L541-G545 WeakPolarHBondContact O-CA 3.16Å; L541-G545 PolarHBondContact O-N 3.29Å; G545-N547 PolarHBondContact O-N 3.26Å
546R56.3Low56.8Low198 Ų198127.5 Ų127.575%0.74768%0.677SS**G310 helixtrans-70.8-13.1176.2-63-166-177.7103.6-0.8113.7T544T544-R546 PolarHBondContact O-N 3.14Å; T544-R546 VanDerWaalsContact O-N 3.12Å
547N55.2Low55.2Low121 Ų121134 Ų13465%0.64770%0.702SS**G310 helixtrans-83.5-20-170.9-57.1-11.2000113.1T544 G545 L549T544-N547 VanDerWaalsContact O-CB 3.29Å; T544-N547 WeakPolarHBondContact O-CB 3.39Å; T544-N547 VanDerWaalsContact O-CG 3.23Å; T544-N547 PolarHBondContact O-N 3.38Å; T544-N547 PolarHBondContact O-ND2 3.35Å; G545-N547 PolarHBondContact O-N 3.26Å; N547-L549 PolarHBondContact O-N 2.8Å
548M51.9Low53Low168 Ų168134 Ų13483%0.82872%0.716SS**THydrogen-bonded Turntrans-81-12.1-167.8-73-62.6-64.400115.5
549L56.3Low51.3Low174 Ų174137.8 Ų137.891%0.91173%0.728SS**THydrogen-bonded Turntrans-105.615.1-168.7-143.873.3000115.1N547N547-L549 PolarHBondContact O-N 2.8Å
550K45.9Very low49.4Very low193 Ų193141 Ų14184%0.83974%0.738SS**SBendtrans-133.158.4-175.2-156.3176.9178.6178.70116
551K50Low48Very low187 Ų187142.5 Ų142.581%0.81375%0.753SS**  trans52.3147.1138.5-135.1-170177.3179.20121.3
552N40.5Very low45.8Very low135 Ų135140.7 Ų140.772%0.72276%0.762SS**  trans80.4120.7169.2-46.2-23.3000114.1
553A41.4Very low44.3Very low104 Ų104142.3 Ų142.386%0.8677%0.772SS**  cis83.7100.239.900000114.3
554S37.3Very low43.5Very low131 Ų131143.5 Ų143.592%0.91678%0.784SS**  trans-147.5144.8161.4-172.10000108.6
555G36.9Very low42.2Very low75 Ų75147.1 Ų147.177%0.77379%0.793SS**PPolyproline II helixtrans-101.6161.5-160.500000116.4
556R43.4Very low41Very low258 Ų258150.9 Ų150.997%0.97480%0.796SS**PPolyproline II helixtrans-87.7149.1164.7-63.4179177.8179.9-1.7109.9
557K35.3Very low39.9Very low206 Ų206146.6 Ų146.690%0.89680%0.797SS**PPolyproline II helixtrans-94.7143.1169.9-90.4-168.5171.9-171.80111.4
558S32.1Very low38.9Very low128 Ų128149.1 Ų149.190%0.89580%0.802SS**  trans-147.1-179.2154.4-800000108.6
559K37.1Very low37.9Very low165 Ų165146.3 Ų146.372%0.71779%0.79SS**  trans-132.8142.6-135.5178.3-175.2166.1-167.70114.9
560E29.1Very low36.6Very low148 Ų148147.8 Ų147.869%0.69278%0.784SS**  trans61.6175.2163.5-77.8168.2-165.900117.3
561P38.2Very low35.7Very low132 Ų132144.3 Ų144.386%0.85777%0.774SS**  -125.4-175-69.237.4-21.5000112
562G28Very low34.9Very low78 Ų78144.5 Ų144.580%0.80478%0.776SS**  trans-158.9150.4176.600000114
563E34.9Very low34.3Very low182 Ų182144.7 Ų144.785%0.8578%0.776SS**  trans-116.2151.6-167.5-58.8-177.515000114.5
564S42.8Very low33.7Very low102 Ų102146.9 Ų146.971%0.71377%0.771SS**  trans68.6177.2152.878.50000119.2
565K35.5Very low33.2Very low155 Ų155146.5 Ų146.567%0.67476%0.759SS**  trans104.7144.4166.2-68.9176.1-172.5176.40116.5
566E32Very low32.8Very low128 Ų128150 Ų15060%0.59876%0.755SS**  cis-177.7157.2-3159.6176.1-162.800110.1R140R140-E566 IonicContact CZ-OE2 3.26Å; R140-E566 VanDerWaalsContact CZ-OE2 3.26Å; R140-E566 IonicContact NH1-OE2 2.67Å; R140-E566 PolarHBondContact NH1-OE2 3.13Å; R140-E566 IonicContact NH2-OE1 3.14Å; R140-E566 PolarHBondContact NH2-OE1 3.28Å; R140-E566 VanDerWaalsContact NH2-OE1 3.14Å; R140-E566 IonicContact NH2-OE2 2.9Å; R140-E566 PolarHBondContact NH2-OE2 2.69Å
567S34.7Very low31.9Very low108 Ų108144.9 Ų144.976%0.75574%0.742SS**  trans151155.8159.854.10000111.3
568K33Very low31.5Very low174 Ų174143.4 Ų143.476%0.75774%0.738SS**  cis-158.3162.5-2.8-129.5175.9169.2-1090112.8
569D30.9Very low31.3Very low109 Ų109144.3 Ų144.358%0.58373%0.728SS**  trans35.7115.9147.9-64.7-35.8000123.5
570R29.3Very low31.6Very low205 Ų205141.3 Ų141.377%0.77473%0.725SS**  75131125.2-80.4-177.4171.8-95.72.9124.9
571D27.4Very low31.4Very low120 Ų120139.9 Ų139.964%0.64272%0.722SS**  trans77.4129.4135.4-61.2-28.7000122.1
572K32.6Very low31Very low192 Ų192139 Ų13984%0.83572%0.719SS**  trans96.2133.6158.4-66-174.4177.8-178.60121.8
573L28.8Very low30.9Very low139 Ų139143.3 Ų143.373%0.72872%0.716SS**  trans70.7130.7145.9-99.569.9000121.4
574I29.1Very low30.8Very low150 Ų150142.5 Ų142.577%0.76971%0.712SS**  44.9133.4128.4-69175.6000117.2
575D26.4Very low30Very low123 Ų123143.6 Ų143.666%0.65871%0.71SS**  cis166.8168.22.1-175.94.8000103.6
576H28Very low29.9Very low149 Ų149141.1 Ų141.169%0.6971%0.712SS**  trans64.7115.8166.5-80.347.8000117.9
577Q24.7Very low29.8Very low149 Ų149144 Ų14470%0.69672%0.722SS**  70.4108.486.9-69.9-8020.100115
578H27.8Very low29.7Very low176 Ų176145.3 Ų145.382%0.81572%0.717SS**  176.1118.3115.6-104.5-78.3000114.7
579E27.5Very low29.6Very low147 Ų147146.9 Ų146.969%0.68772%0.718SS**  trans-67.7155136.5-103.9-84.4137.100107.5L581E579-L581 PolarHBondContact OE2-N 2.96Å; E579-L581 VanDerWaalsContact OE2-N 3.09Å
580P42.1Very low29.6Very low101 Ų101145.4 Ų145.466%0.65672%0.721SS**  -157.9155.367.141.9-20.3000121.1
581L26Very low29.7Very low118 Ų118147 Ų14762%0.61873%0.727SS**  trans49.9121.4132.5-64170.2000122.9E579 K583E579-L581 PolarHBondContact OE2-N 2.96Å; E579-L581 VanDerWaalsContact OE2-N 3.09Å; L581-K583 HydrophobicContact CD2-CG 4.47Å
582S28.6Very low29.9Very low113 Ų113149.5 Ų149.579%0.7974%0.74SS**  -151.1125.5118570000107.5
583K26.7Very low29.7Very low170 Ų170144 Ų14474%0.73974%0.738SS**  53127.656.4-64.5-175.6178.8178.80111.2L581L581-K583 HydrophobicContact CD2-CG 4.47Å
584Q32.5Very low30Very low164 Ų164145.2 Ų145.277%0.76674%0.744SS**  cis-161.9154.544.3-158.6-170.7-48.300112.9
585D27.1Very low30Very low126 Ų126145 Ų14567%0.67475%0.745SS**  trans47.8153.4149.3-79.5-29.2000123.8
586S31.6Very low30.5Very low103 Ų103144 Ų14472%0.7275%0.747SS**  cis-177.1172.6-28.4-1130000112.2
587K31.3Very low30.5Very low189 Ų189145.2 Ų145.282%0.82275%0.75SS**  trans8780.2146.8-150166.8-169.5169.80121.6
588E32.8Very low30.9Very low135 Ų135144.8 Ų144.863%0.63175%0.748SS**  43.3136.2111.8-142.4-152.7154.900122.3
589R31.3Very low30.9Very low206 Ų206142.2 Ų142.278%0.77774%0.741SS**  trans89.1151.1157.7-56.2-167.2179.5143.623119.5
590A30.7Very low31.2Very low78 Ų78139.7 Ų139.765%0.64574%0.739SS**  cis-173.8167.9-29.700000110.8
591R31.5Very low30.7Very low240 Ų240145.8 Ų145.891%0.90675%0.749SS**  trans80.6119.3157.4-61.2-176.2-179.5179.3-0.5120.2
592N31.1Very low31Very low172 Ų172145.8 Ų145.892%0.9275%0.75SS**  trans-41.3155.3155.7-31.6-16.6000114.7
593G27.1Very low31.2Very low77 Ų77150.5 Ų150.579%0.79475%0.75SS**  trans-171.2138.2163.500000113
594L36.9Very low31.4Very low163 Ų163148.9 Ų148.985%0.85375%0.754SS**  trans-87.3177.4166.7-64.1166.7000108.3
595D27.7Very low31.2Very low147 Ų147144.4 Ų144.479%0.78675%0.752SS**  cis-158.9-173.224.7-144.4-46.5000112.1
596S36.6Very low31.4Very low100 Ų100150.3 Ų150.370%0.69977%0.765SS**  trans-103.3159.2-175.1-1800000113.8
597K29.3Very low31.3Very low175 Ų175155.5 Ų155.576%0.76177%0.774SS**  trans-177.5138135.8-106.6177.2-177.5-172.40117
598Q33.7Very low31.2Very low140 Ų140152 Ų15265%0.65477%0.774SS**  trans46154.2132-75.6173.8-90.700121.6
599D27.8Very low31.1Very low123 Ų123153.7 Ų153.766%0.65878%0.782SS**  cis-148.5173.95.1-138.8-41.6000114.5
600S33.1Very low31.2Very low94 Ų94155 Ų15566%0.65779%0.788SS**  trans-73.6172.6-178.360.30000117.9
601R31.8Very low31.1Very low228 Ų228154.6 Ų154.686%0.8679%0.792SS**  trans167150.4143.9-94.7-176.7-160.4-176.65.3110.4
602D31.7Very low31.5Very low118 Ų118149 Ų14963%0.63179%0.786SS**  cis-156.8170.5-12.3-137.3-29.6000112.6
603R34.1Very low31.6Very low213 Ų213147.9 Ų147.980%0.80479%0.785SS**  trans-24.1153.2174.6-57.6138.7-179.7-139.3-5.6121.1
604V30.9Very low31.9Very low136 Ų136153.6 Ų153.682%0.82479%0.789SS**  170.6144.4100.2159.10000110.3
605G28.3Very low31.6Very low69 Ų69151.7 Ų151.771%0.71179%0.789SS**  trans-127.1171.1172.200000113.8
606R30.3Very low31.8Very low250 Ų250150.8 Ų150.894%0.94379%0.789SS**  trans-142.1145168.8-74.5-165.6176.3-141.6-0.9111.9
607K29.3Very low31.5Very low213 Ų213158 Ų15893%0.92680%0.8SS**  trans-87.6153167.3-63.7177.4178.9177.50110.1
608S30.1Very low31.6Very low116 Ų116157.4 Ų157.481%0.81180%0.801SS**  trans-147.8145.1149.6-170.50000109.6
609Q30.1Very low31.5Very low170 Ų170159.9 Ų159.979%0.79481%0.809SS**  trans-82.7158.3173.3-63.2156.4-37.700110.3
610Y32.6Very low31.6Very low233 Ų233164.2 Ų164.291%0.91482%0.816SS**  -166.2166.7124.7-90.3-55.6000110.7
611G28.5Very low31.5Very low70 Ų70168.2 Ų168.272%0.72283%0.825SS**  trans-83.8-171.8-160.700000118.3
612P41.4Very low31.7Very low121 Ų121164.8 Ų164.879%0.78682%0.818SS**  trans-106.4163.1-14739.3-37.1000116.2
613V31.6Very low31.6Very low149 Ų149166.3 Ų166.390%0.90383%0.827SS**  trans-126.2134.6162.1-178.90000109.5
614K34.4Very low31.6Very low198 Ų198166.4 Ų166.486%0.86183%0.833SS**  trans-92.7146.8-176.9-56.6174.5-177.3178.10111.1
615S29.5Very low31.5Very low123 Ų123170.9 Ų170.986%0.8684%0.835SS**  trans-156.6115.9152.5-167.70000110.9
616T32.5Very low31.7Very low128 Ų128171.8 Ų171.879%0.78584%0.836SS**  trans-86.5149.2173.536.60000110.7
617R31.1Very low32Very low250 Ų250165.5 Ų165.594%0.94383%0.826SS**  trans-143.7113.5162.5-164.8175.3-175.1-153.8-1.2111.3
618E31.8Very low32Very low163 Ų163164.3 Ų164.376%0.76282%0.821SS**  trans-86.6165.3-169.6-65.4164.3131.600113.3
619K30.3Very low32.4Very low192 Ų192164.5 Ų164.584%0.83581%0.811SS**  trans-76.9135.5178.3-60.9169.4-176.9170.10110
620W29.5Very low32.5Very low214 Ų214164.5 Ų164.581%0.81181%0.811SS**  trans-114.399.7161.6-79.392.7000109.9H622W620-H622 AromaticContact CE3-CD2 3.69Å; W620-H622 AromaticContact CE3-NE2 3.47Å; W620-H622 AromaticContact CZ3-NE2 3.45Å; W620-H622 WeakPolarHBondContact CZ3-NE2 3.43Å
621Q32.4Very low32.3Very low179 Ų179163.1 Ų163.184%0.83681%0.806SS**  trans-102.2127.6159.1-67.6-176-1.800107.1
622H34.5Very low32.5Very low155 Ų155167.1 Ų167.172%0.71881%0.81SS**  trans-106.5130.9178.6-108.9-79.6000111.5W620W620-H622 AromaticContact CE3-CD2 3.69Å; W620-H622 AromaticContact CE3-NE2 3.47Å; W620-H622 AromaticContact CZ3-NE2 3.45Å; W620-H622 WeakPolarHBondContact CZ3-NE2 3.43Å
623N31.2Very low32.3Very low151 Ų151166 Ų16681%0.80780%0.802SS**  trans-62.5132.9179.2-102.2-76.2000112.7
624F32.5Very low32.5Very low214 Ų214167.3 Ų167.394%0.93980%0.797SS**  trans-99.1100.4154.8-93.1-85.2000108.5
625R30Very low32.3Very low230 Ų230163.3 Ų163.387%0.86879%0.794SS**  trans-89.8106.4180-174.2175.6178.5-177-0.1109.7
626A32.7Very low33.2Very low89 Ų89162.2 Ų162.274%0.73678%0.784SS**  trans-77.4133.6173.900000110.8
627T36.4Very low33.1Very low118 Ų118166 Ų16672%0.72479%0.786SS**  trans-103.399.6177.6-52.50000109.8I629T627-I629 HydrophobicContact CG2-CG1 4.14Å
628F29.6Very low33.3Very low188 Ų188161.3 Ų161.383%0.82578%0.779SS**  trans-73130.9161.4-95.7-98.4000109.2
629I37.2Very low33.3Very low119 Ų119162.8 Ų162.861%0.6178%0.783SS**  trans-111.6109.8165.9-61.2-177.4000107.3T627 Y631T627-I629 HydrophobicContact CG2-CG1 4.14Å; I629-Y631 HydrophobicContact CG2-CD2 3.88Å; I629-Y631 HydrophobicContact CG2-CE2 3.58Å
630H33.1Very low33.4Very low170 Ų170159.9 Ų159.979%0.78778%0.781SS**  trans-78.9124.8166.9-112.290.8000108.7
631Y28.3Very low34.4Very low204 Ų204155.3 Ų155.380%0.878%0.779SS**  trans-102.4127.6161.5-80.4-83.2000108.3I629I629-Y631 HydrophobicContact CG2-CD2 3.88Å; I629-Y631 HydrophobicContact CG2-CE2 3.58Å
632N32.9Very low34.1Very low154 Ų154151.4 Ų151.482%0.82477%0.771SS**  trans-132.9149.2170.4-163.25.5000108.1
633T37.8Very low34.1Very low99 Ų99152.6 Ų152.661%0.60777%0.774SS**  trans-128.9162.6-164.7490000113.5
634H34.7Very low34Very low175 Ų175155.4 Ų155.481%0.8178%0.775SS**  trans72.4151.7-177.9-45.2-81.9000113.8
635S29.7Very low33.9Very low114 Ų114150.3 Ų150.380%0.79777%0.767SS**  cis-143.2166.611.4-148.40000112
636P49.2Very low34.1Very low100 Ų100151.1 Ų151.165%0.64977%0.769SS**  trans-109.9177.8-168.537.4-27.5000117.2
637Y30.3Very low34.2Very low207 Ų207152.2 Ų152.281%0.81277%0.772SS**  trans106.5118.9164.4-72.3-83.8000120.3
638L36.1Very low34.5Very low153 Ų153152.8 Ų152.880%0.80178%0.778SS**  trans59.1129.2150.1-59.3165000118
639K31.7Very low34.7Very low194 Ų194148.9 Ų148.984%0.84377%0.774SS**  cis-163.3175.947.1-132162.9-176.11720111.8
640T31.8Very low34.5Very low130 Ų130151.9 Ų151.980%0.79879%0.787SS**  trans-134.8-178.5178.866.80000110.2
641P50.3Low34.7Very low118 Ų118148.9 Ų148.977%0.76678%0.783SS**  cis-133.6-156.9-7.442.7-24.5000113.8
642S26.9Very low35Very low97 Ų97147.3 Ų147.368%0.67879%0.788SS**  trans97.8132.4159.4-169.30000118.1
643K33.2Very low34.9Very low180 Ų180147.5 Ų147.578%0.78379%0.79SS**  cis-162.9145.7-9.3-106.3172.3-160.5168.70112.2
644Y29.9Very low35.3Very low210 Ų210148 Ų14882%0.82479%0.794SS**  trans79.8134.3145.7-95.5-105.7000126
645S30.5Very low35.3Very low108 Ų108145.3 Ų145.376%0.75580%0.795SS**  trans76.8142.9152.583.40000118.7
646R34.4Very low36Very low246 Ų246145.9 Ų145.993%0.92880%0.796SS**  cis-155.3148.4-15.1-140.7178.7-177.5-135.73.5109.9
647S35.3Very low35.4Very low112 Ų112149.7 Ų149.778%0.78381%0.81SS**  trans-103.7165.1-173.8-310000114.6
648P42Very low35.7Very low131 Ų131143.4 Ų143.485%0.85181%0.809SS**  trans-106.2167.3140.435.9-29.1000111.6
649S34.4Very low35.8Very low106 Ų106142.5 Ų142.574%0.74181%0.81SS**  trans-144.1158.9-161.155.90000115.5
650M32.3Very low36.4Very low181 Ų181139.6 Ų139.689%0.89281%0.81SS**  trans-135.4156.8160.1-86.8-71101.300110
651P37.5Very low36.5Very low108 Ų108142.7 Ų142.770%0.70182%0.816SS**  trans-101.6151.1-147.436.9-36.6000116.2
652N33.9Very low35.9Very low170 Ų170148.3 Ų148.391%0.90982%0.822SS**  trans-121.4138.4154.7-103.31.7000108.4
653N31.8Very low36.2Very low159 Ų159155.8 Ų155.885%0.8584%0.835SS**  trans-110.5119.7-175.8-17326000111.2
654P46Very low36.3Very low108 Ų108151.7 Ų151.770%0.70183%0.834SS**PPolyproline II helixtrans-90.3137.9176.834.2-31.8000112.5
655S33.9Very low37.4Very low119 Ų119147.4 Ų147.483%0.83283%0.833SS**PPolyproline II helixtrans-70.2145.7169.6-63.90000111.5
656P44Very low37.4Very low126 Ų126148.9 Ų148.982%0.81884%0.837SS**PPolyproline II helixtrans-83147.2-167.832.5-36.3000113.9
657L37.4Very low37.5Very low180 Ų180142.1 Ų142.194%0.94282%0.823SS**PPolyproline II helixtrans-103.7139.4160.1-137.273.2000109.1
658G35.5Very low37.5Very low76 Ų76144.8 Ų144.878%0.78482%0.823SS**PPolyproline II helixtrans-71.1152-165.600000115.8
659T39.1Very low37.3Very low134 Ų134147.3 Ų147.382%0.82282%0.823SS**PPolyproline II helixtrans-72.7146.317548.90000112.9
660P44.4Very low37.3Very low132 Ų132146.9 Ų146.986%0.85782%0.82SS**PPolyproline II helixtrans-75.2140.3174.931.7-34.6000111.8
661Q34.3Very low37.7Very low195 Ų195146.2 Ų146.291%0.91182%0.815SS**  trans-117130.5172.8-167.7165.5-1.700112.6
662R36.8Very low37.7Very low237 Ų237147.4 Ų147.489%0.89482%0.821SS**  trans-73.6130.7-173.3178.2-170.9-167.9-1259.3113.4
663R33.7Very low37.8Very low254 Ų254143.9 Ų143.996%0.95882%0.815SS**  trans-149.1168.8146.3-108.2176.6-166.9-142.91.3110.6
664A34.4Very low38.1Very low93 Ų93141.8 Ų141.877%0.76981%0.812SS**  trans-122.1-155.5-156.400000113
665P53.6Low37.8Very low121 Ų121140.9 Ų140.979%0.78681%0.814SS**  trans-102.3179.6-130.643.1-33.1000114.6
666V31.7Very low38.2Very low139 Ų139143.4 Ų143.484%0.84282%0.818SS**  trans-166.6162.4135.8132.30000111.4
667T35.9Very low38.1Very low104 Ų104141.8 Ų141.864%0.63882%0.815SS**  trans-71.2176.2178.6400000113
668H34.8Very low38.4Very low168 Ų168141.2 Ų141.278%0.77881%0.807SS**  cis-148.6172.435-95.8-84.6000114.9
669Q37Very low38.9Very low183 Ų183144.2 Ų144.286%0.85580%0.804SS**  trans-64.5154.6167.8-57.4160.3-34.900112.6
670S35.6Very low39.1Very low98 Ų98143.1 Ų143.169%0.68580%0.801SS**  -160.4135.8121.6-154.90000114
671Q39.7Very low38.9Very low166 Ų166140.1 Ų140.178%0.77680%0.795SS**  trans49.8101.8143.1-71.5170.6500122.4
672T37.7Very low39.8Very low134 Ų134140.8 Ų140.882%0.82280%0.795SS**  48.8124.3118.458.80000122.2
673A36.5Very low40.1Very low95 Ų95138.1 Ų138.179%0.78582%0.823SS**  -165.7144.4119.700000113.8
674S37.9Very low40.5Very low115 Ų115132.3 Ų132.380%0.80482%0.816SS**  trans40.1131.5148.1-58.10000125
675A39.6Very low40.8Very low90 Ų90134.4 Ų134.474%0.74482%0.819SS**  trans62.5130.7142.300000119.4
676L41.6Very low40.1Very low172 Ų172135.1 Ų135.190%0.90182%0.821SS**  cis6681.331.6-58177.4000116.2
677A42.8Very low40.6Very low91 Ų91134.9 Ų134.975%0.75282%0.819SS**  -153.7143.812800000106.7
678E42.7Very low40.9Very low169 Ų169136.8 Ų136.879%0.7983%0.831SS**  cis66.6135.438.7-61.1-152.7136.300112.8
679I46.7Very low41.3Very low138 Ų138134.7 Ų134.771%0.70883%0.834SS**  cis-155.7174.9-2.6-129169.6000112.2
680S43.8Very low41.6Very low111 Ų111131.3 Ų131.378%0.77683%0.833SS**  trans-19.7153.2163.6-163.90000120.8
681G40.6Very low42Very low70 Ų70133.8 Ų133.872%0.72284%0.844SS**  trans147.5101.5168.100000110.5
682K52.3Low42.2Very low209 Ų209131.2 Ų131.291%0.90985%0.85SS**  cis66.377.938.5-112-160.8-173.8-1710114.2
683A44.5Very low42.6Very low180 Ų180130.9 Ų130.9100%1.48885%0.852SS**  trans-155.50132.900000108.5

Retrieved 683 of 683 residues in 128.9 ms (Link to these results)