G4VCQ2_SCHMA Loading...

Eukaryotic translation initiation factor 4E transporter

AlphaFold DB , UniProt , Accession G4VCQ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 708 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
1M45.5Very low56.3Low248 Ų248157.7 Ų157.7100%1.22285%0.846SS**  0128.20-59.8-165.2-65.200107.7
2G52.9Low56.7Low68 Ų68154.3 Ų154.370%0.70184%0.843SS**  cis-165.4131.6-9.900000108R4G2-R4 PolarHBondContact O-N 3.41Å
3E52.9Low57.5Low186 Ų186154.8 Ų154.887%0.86983%0.832SS**  trans-66.4133.4-171.6-61.3-179.8162.300111.5
4R61.6Low58.1Low242 Ų242161.1 Ų161.191%0.91384%0.838SS**  trans-113.9114.1164.5-65.2-169.5-173.8-171.93.1108G2G2-R4 PolarHBondContact O-N 3.41Å
5K62.9Low58.7Low181 Ų181157.5 Ų157.579%0.78783%0.832SS**  trans-70.6139.8173.9-64.7179.1179.3179.90108.9
6S65.9Low59.8Low119 Ų119160.8 Ų160.883%0.83283%0.83SS**  trans-86.4106.1170.352.90000109.2G8S6-G8 PolarHBondContact O-N 3.19Å
7D60.8Low61.2Low158 Ų158157.1 Ų157.185%0.84582%0.816SS**  trans-69.2117.2173.9-66.5-45.4000109.9
8G58Low62.4Low68 Ų68157.1 Ų157.170%0.70181%0.811SS**  trans-75.4131.1-178.300000112.5S6 C10S6-G8 PolarHBondContact O-N 3.19Å; G8-C10 PolarHBondContact O-N 3.1Å; G8-C10 VanDerWaalsContact O-N 3.12Å
9Q51.8Low63.9Low196 Ų196156.2 Ų156.292%0.91680%0.797SS**  trans-68.5106.7169-76.9-174.9-56.400110.5E11Q9-E11 PolarHBondContact O-N 3.47Å; Q9-E11 VanDerWaalsContact O-N 3.16Å
10C52.4Low65.2Low125 Ų125152 Ų15285%0.84578%0.779SS**  trans-73100.8166-67.10000109.9G8 S12G8-C10 PolarHBondContact O-N 3.1Å; G8-C10 VanDerWaalsContact O-N 3.12Å; C10-S12 PolarHBondContact O-N 3Å
11E54.9Low66.3Low144 Ų144153.1 Ų153.167%0.67377%0.774SS**  trans-60.2102.3167.7-72.5-166136.400110Q9 K13Q9-E11 PolarHBondContact O-N 3.47Å; Q9-E11 VanDerWaalsContact O-N 3.16Å; E11-K13 HydrophobicContact CB-CG 4.48Å; E11-K13 PolarHBondContact O-N 3.2Å; E11-K13 WeakPolarHBondContact OE2-CE 3.44Å; E11-K13 IonicContact OE2-NZ 2.67Å; E11-K13 PolarHBondContact OE2-NZ 3.14Å
12S61.1Low68.5Low116 Ų116146.6 Ų146.681%0.81174%0.74SS**  trans-75.673.1178.7-165.70000111.1C10 R14C10-S12 PolarHBondContact O-N 3Å; S12-R14 PolarHBondContact O-N 3.02Å
13K66.6Low70.3Confident162 Ų162147.6 Ų147.670%0.70473%0.727SS**  trans-65.3100.2174.7-73.4173.2-179.8155.80108.8E11 S15E11-K13 HydrophobicContact CB-CG 4.48Å; E11-K13 PolarHBondContact O-N 3.2Å; E11-K13 WeakPolarHBondContact OE2-CE 3.44Å; E11-K13 IonicContact OE2-NZ 2.67Å; E11-K13 PolarHBondContact OE2-NZ 3.14Å; K13-S15 PolarHBondContact O-N 3.01Å
14R65.7Low72.1Confident243 Ų243143.4 Ų143.492%0.91771%0.709SS**  trans-56.3108.6175.6-67.4-177.2178.3-174.6-0.1109.2S12 R16S12-R14 PolarHBondContact O-N 3.02Å; R14-R16 PolarHBondContact O-N 3.18Å
15S67.6Low73.3Confident107 Ų107135.8 Ų135.875%0.74869%0.686SS**PPolyproline II helixtrans-62122.1171.546.30000109K13 V17K13-S15 PolarHBondContact O-N 3.01Å; S15-V17 PolarHBondContact O-N 2.96Å
16R77.1Confident74.5Confident209 Ų209129.3 Ų129.379%0.78967%0.667SS**PPolyproline II helixtrans-63.1122.5170-175.8172.6-178.4158.9-2.6107R14 H18R14-R16 PolarHBondContact O-N 3.18Å; R16-H18 PolarHBondContact O-CD2 3.49Å; R16-H18 PolarHBondContact O-N 2.75Å
17V82Confident75.4Confident98 Ų98128.8 Ų128.859%0.59465%0.653SS**PPolyproline II helixtrans-68.8121174.2179.50000107.7S15 Y19S15-V17 PolarHBondContact O-N 2.96Å; V17-Y19 HydrophobicContact CG1-CD1 4.4Å; V17-Y19 HydrophobicContact CG1-CD2 4.48Å; V17-Y19 HydrophobicContact CG1-CE1 4Å; V17-Y19 HydrophobicContact CG1-CE2 4.08Å
18H84.5Confident76.5Confident157 Ų157128.1 Ų128.173%0.72764%0.643SS**PPolyproline II helixtrans-98.6117.6170.8-72.1-98.3000107.8R16R16-H18 PolarHBondContact O-CD2 3.49Å; R16-H18 PolarHBondContact O-N 2.75Å
19Y89.6Confident77.4Confident141 Ų141131.6 Ų131.655%0.55364%0.641SS**PPolyproline II helixtrans-86.3142.1170.7-62.5-76.4000109.8V17 E23V17-Y19 HydrophobicContact CG1-CD1 4.4Å; V17-Y19 HydrophobicContact CG1-CD2 4.48Å; V17-Y19 HydrophobicContact CG1-CE1 4Å; V17-Y19 HydrophobicContact CG1-CE2 4.08Å; Y19-E23 HydrophobicContact CD1-CB 4.48Å
20T90.8Very high78.3Confident72 Ų72127.7 Ų127.744%0.44263%0.626SS.*PPolyproline II helixtrans-68.6161.1167.259.60000110.8E22 E23 I24T20-E22 PolarHBondContact O-N 3.34Å; T20-E23 WeakPolarHBondContact CB-OE2 3.48Å; T20-E23 PolarHBondContact N-OE2 3.07Å; T20-E23 PolarHBondContact O-N 3.01Å; T20-E23 VanDerWaalsContact OG1-CG 3.24Å; T20-E23 WeakPolarHBondContact OG1-CG 3.37Å; T20-E23 PolarHBondContact OG1-N 3.33Å; T20-E23 PolarHBondContact OG1-OE2 3.27Å; T20-I24 WeakPolarHBondContact O-CG1 3.44Å; T20-I24 PolarHBondContact O-N 3.42Å
21R88.8Confident79.1Confident176 Ų176124.6 Ų124.666%0.66461%0.61SS**Hα-helixtrans-62.3-32.8177.2173.4177.5174.9-82.92.3110.9I24 L25R21-I24 PolarHBondContact O-N 3.15Å; R21-L25 HydrophobicContact CG-CD1 4.2Å; R21-L25 VanDerWaalsContact O-CG 3.29Å; R21-L25 WeakPolarHBondContact O-CG 3.24Å; R21-L25 PolarHBondContact O-N 3.45Å
22E91.3Very high79.5Confident111 Ų111121.6 Ų121.652%0.51960%0.601SS.*Hα-helixtrans-72.1-42.4-177.3-66.256.6-124.600110.8T20 L25 A26T20-E22 PolarHBondContact O-N 3.34Å; E22-L25 PolarHBondContact O-N 3.24Å; E22-A26 WeakPolarHBondContact O-CB 3.38Å; E22-A26 PolarHBondContact O-N 2.82Å
23E90.7Very high79.5Confident89 Ų89119.3 Ų119.342%0.41659%0.585SS.*Hα-helixtrans-62.1-42.3171.4-73.9165.3117.200112.3Y19 T20 L25 A26 I27Y19-E23 HydrophobicContact CD1-CB 4.48Å; T20-E23 WeakPolarHBondContact CB-OE2 3.48Å; T20-E23 PolarHBondContact N-OE2 3.07Å; T20-E23 PolarHBondContact O-N 3.01Å; T20-E23 VanDerWaalsContact OG1-CG 3.24Å; T20-E23 WeakPolarHBondContact OG1-CG 3.37Å; T20-E23 PolarHBondContact OG1-N 3.33Å; T20-E23 PolarHBondContact OG1-OE2 3.27Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.41Å; E23-A26 PolarHBondContact O-N 3.34Å; E23-I27 VanDerWaalsContact O-CG1 3.29Å; E23-I27 WeakPolarHBondContact O-CG1 3.39Å; E23-I27 PolarHBondContact O-N 3.39Å
24I89.5Confident79.1Confident97 Ų97115.5 Ų115.550%0.49758%0.579SS.*Hα-helixtrans-63.7-39.1178.4-65.6166.2000110.9T20 R21 K28T20-I24 WeakPolarHBondContact O-CG1 3.44Å; T20-I24 PolarHBondContact O-N 3.42Å; R21-I24 PolarHBondContact O-N 3.15Å; I24-K28 WeakPolarHBondContact O-CB 3.49Å; I24-K28 PolarHBondContact O-N 2.66Å; I24-K28 VanDerWaalsContact O-N 3.1Å
25L88.4Confident78.8Confident83 Ų83106.5 Ų106.544%0.43556%0.556SS.*Hα-helixtrans-66.9-45.5175.2-72.2168.8000111.9R21 E22 E23 I27 K28 E29R21-L25 HydrophobicContact CG-CD1 4.2Å; R21-L25 VanDerWaalsContact O-CG 3.29Å; R21-L25 WeakPolarHBondContact O-CG 3.24Å; R21-L25 PolarHBondContact O-N 3.45Å; E22-L25 PolarHBondContact O-N 3.24Å; E23-L25 VanDerWaalsContact C-N 3.32Å; E23-L25 PolarHBondContact O-N 3.41Å; L25-I27 VanDerWaalsContact C-N 3.32Å; L25-I27 PolarHBondContact O-N 3.3Å; L25-K28 WeakPolarHBondContact O-CB 3.29Å; L25-K28 PolarHBondContact O-N 3.46Å; L25-K28 VanDerWaalsContact O-N 3.08Å; L25-E29 PolarHBondContact O-N 3.12Å
26A87.5Confident78.2Confident45 Ų45108.1 Ų108.137%0.37255%0.552SS.*Hα-helixtrans-61.9-36.9177.500000112.7E22 E23 N30E22-A26 WeakPolarHBondContact O-CB 3.38Å; E22-A26 PolarHBondContact O-N 2.82Å; E23-A26 PolarHBondContact O-N 3.34Å; A26-N30 PolarHBondContact O-N 3.38Å; A26-N30 PolarHBondContact O-ND2 3.45Å
27I84Confident77.3Confident107 Ų107103.8 Ų103.855%0.54954%0.544SS..Hα-helixtrans-65.1-42.4172.8-68.8164.2000110.7E23 L25 A31E23-I27 VanDerWaalsContact O-CG1 3.29Å; E23-I27 WeakPolarHBondContact O-CG1 3.39Å; E23-I27 PolarHBondContact O-N 3.39Å; L25-I27 VanDerWaalsContact C-N 3.32Å; L25-I27 PolarHBondContact O-N 3.3Å; I27-A31 WeakPolarHBondContact O-CB 3.43Å; I27-A31 PolarHBondContact O-N 2.93Å; I27-A31 VanDerWaalsContact O-N 3.09Å
28K83.5Confident76.2Confident144 Ų144102.4 Ų102.463%0.62654%0.539SS*.Hα-helixtrans-64.2-42.1179.4-174.7-177175.9-172.40112.3I24 L25 A31 V32I24-K28 WeakPolarHBondContact O-CB 3.49Å; I24-K28 PolarHBondContact O-N 2.66Å; I24-K28 VanDerWaalsContact O-N 3.1Å; L25-K28 WeakPolarHBondContact O-CB 3.29Å; L25-K28 PolarHBondContact O-N 3.46Å; L25-K28 VanDerWaalsContact O-N 3.08Å; K28-A31 PolarHBondContact O-N 3.16Å; K28-V32 PolarHBondContact O-N 2.96Å
29E78.7Confident75Confident142 Ų14298.7 Ų98.766%0.66452%0.524SS*.Hα-helixtrans-63.7-52.1179.6-171.1172.4-172.200111.5L25 A31 V32 S33L25-E29 PolarHBondContact O-N 3.12Å; E29-A31 PolarHBondContact O-N 3.31Å; E29-V32 PolarHBondContact O-N 3.05Å; E29-S33 PolarHBondContact O-N 3.45Å
30N70.3Confident73.5Confident114 Ų11497.5 Ų97.561%0.6152%0.523SS*.Hα-helixtrans-61-30.9176.9-76.4-78.4000113.2A26 V32 S34A26-N30 PolarHBondContact O-N 3.38Å; A26-N30 PolarHBondContact O-ND2 3.45Å; N30-V32 VanDerWaalsContact C-N 3.33Å; N30-S34 PolarHBondContact O-N 3.22Å; N30-S34 VanDerWaalsContact O-N 3.16Å
31A69.2Low71.8Confident60 Ų60100.9 Ų100.950%0.49653%0.532SS..Hα-helixtrans-67.4-30.6176.400000113.1I27 K28 E29 A35I27-A31 WeakPolarHBondContact O-CB 3.43Å; I27-A31 PolarHBondContact O-N 2.93Å; I27-A31 VanDerWaalsContact O-N 3.09Å; K28-A31 PolarHBondContact O-N 3.16Å; E29-A31 PolarHBondContact O-N 3.31Å; A31-A35 PolarHBondContact O-N 3.35Å
32V61.7Low70.3Confident81 Ų8195.9 Ų95.949%0.49153%0.525SS..Hα-helixtrans-69.5-50.2174.7176.70000110.2K28 E29 N30 S34 A35 E36K28-V32 PolarHBondContact O-N 2.96Å; E29-V32 PolarHBondContact O-N 3.05Å; N30-V32 VanDerWaalsContact C-N 3.33Å; V32-S34 VanDerWaalsContact C-N 3.25Å; V32-S34 PolarHBondContact O-N 2.96Å; V32-A35 WeakPolarHBondContact O-CB 3.45Å; V32-A35 PolarHBondContact O-N 2.81Å; V32-E36 PolarHBondContact O-N 3.45Å
33S62.7Low68.6Low68 Ų6896.5 Ų96.548%0.47652%0.522SS..Hα-helixtrans-60.4-32.9179.8-47.70000113.4E29E29-S33 PolarHBondContact O-N 3.45Å
34S58.4Low66.9Low82 Ų8296.7 Ų96.757%0.57353%0.525SS*.Hα-helixtrans-73.8-27.8175.4-168.90000113.3N30 V32N30-S34 PolarHBondContact O-N 3.22Å; N30-S34 VanDerWaalsContact O-N 3.16Å; V32-S34 VanDerWaalsContact C-N 3.25Å; V32-S34 PolarHBondContact O-N 2.96Å
35A57.7Low65Low53 Ų5395.9 Ų95.944%0.43853%0.528SS..Hα-helixtrans-70-44179.600000111.9A31 V32 L37 S38 D39A31-A35 PolarHBondContact O-N 3.35Å; V32-A35 WeakPolarHBondContact O-CB 3.45Å; V32-A35 PolarHBondContact O-N 2.81Å; A35-L37 PolarHBondContact O-N 3.38Å; A35-S38 WeakPolarHBondContact O-CB 3.28Å; A35-S38 PolarHBondContact O-N 3.4Å; A35-S38 VanDerWaalsContact O-N 3.09Å; A35-S38 PolarHBondContact O-OG 3.26Å; A35-D39 PolarHBondContact O-N 3.34Å
36E56.7Low63.2Low142 Ų14295.9 Ų95.966%0.66454%0.54SS*.Hα-helixtrans-60.7-45.8-177.1-64.1-178.2153.100112.2V32 S38 D39V32-E36 PolarHBondContact O-N 3.45Å; E36-S38 VanDerWaalsContact C-N 3.26Å; E36-S38 PolarHBondContact O-N 3.32Å; E36-D39 PolarHBondContact O-N 3.08Å
37L58.1Low61.4Low117 Ų11798 Ų9861%0.61355%0.552SS**Hα-helixtrans-60.4-33.7175.1-74.2167.7000112.8A35 F41A35-L37 PolarHBondContact O-N 3.38Å; L37-F41 WeakPolarHBondContact O-CD2 3.45Å; L37-F41 PolarHBondContact O-N 2.94Å
38S59.2Low59.7Low70 Ų7098.1 Ų98.149%0.4956%0.557SS.*Hα-helixtrans-70.9-30.5-176.478.20000113.9A35 E36 S42A35-S38 WeakPolarHBondContact O-CB 3.28Å; A35-S38 PolarHBondContact O-N 3.4Å; A35-S38 VanDerWaalsContact O-N 3.09Å; A35-S38 PolarHBondContact O-OG 3.26Å; E36-S38 VanDerWaalsContact C-N 3.26Å; E36-S38 PolarHBondContact O-N 3.32Å; S38-S42 WeakPolarHBondContact O-CB 3.07Å; S38-S42 PolarHBondContact O-N 3.38Å; S38-S42 PolarHBondContact O-OG 3.3Å
39D57.4Low57.8Low79 Ų7999 Ų9942%0.42257%0.566SS.*Hα-helixtrans-81.4-33.4-178.5-157.858.7000111.7A35 E36 S42 R43A35-D39 PolarHBondContact O-N 3.34Å; E36-D39 PolarHBondContact O-N 3.08Å; D39-S42 WeakPolarHBondContact O-CB 3.48Å; D39-S42 PolarHBondContact O-N 2.94Å; D39-R43 WeakPolarHBondContact O-CD 3.5Å; D39-R43 VanDerWaalsContact O-CG 3.25Å; D39-R43 WeakPolarHBondContact O-CG 3.4Å; D39-R43 PolarHBondContact O-N 3.09Å; D39-R43 IonicContact OD2-CZ 3.14Å; D39-R43 IonicContact OD2-NE 2.8Å; D39-R43 PolarHBondContact OD2-NE 3.07Å; D39-R43 IonicContact OD2-NH2 2.68Å; D39-R43 PolarHBondContact OD2-NH2 3.23Å
40E58.8Low56.1Low115 Ų115103.5 Ų103.554%0.53758%0.577SS.*Hα-helixtrans-62.8-50.6173.8-165.462.6-147.700111.6S42 R43 I44E40-S42 PolarHBondContact O-N 3.27Å; E40-R43 PolarHBondContact O-N 3.46Å; E40-R43 VanDerWaalsContact O-N 3.13Å; E40-I44 HydrophobicContact CG-CD1 4.46Å; E40-I44 WeakPolarHBondContact O-CG1 3.29Å; E40-I44 PolarHBondContact O-N 3.13Å; E40-I44 VanDerWaalsContact O-N 3.1Å
41F55Low54.8Low143 Ų143104.1 Ų104.163%0.62759%0.587SS**Hα-helixtrans-61.1-32176-90.8-86.8000112.9L37 S45L37-F41 WeakPolarHBondContact O-CD2 3.45Å; L37-F41 PolarHBondContact O-N 2.94Å; F41-S45 WeakPolarHBondContact O-CB 3.4Å; F41-S45 PolarHBondContact O-N 3.24Å; F41-S45 VanDerWaalsContact O-N 3.15Å; F41-S45 PolarHBondContact O-OG 2.73Å
42S57.1Low53.8Low72 Ų72107.9 Ų107.950%0.50360%0.604SS.*Hα-helixtrans-68.4-39.8175.8-63.90000112.2S38 D39 E40 A46S38-S42 WeakPolarHBondContact O-CB 3.07Å; S38-S42 PolarHBondContact O-N 3.38Å; S38-S42 PolarHBondContact O-OG 3.3Å; D39-S42 WeakPolarHBondContact O-CB 3.48Å; D39-S42 PolarHBondContact O-N 2.94Å; E40-S42 PolarHBondContact O-N 3.27Å; S42-A46 PolarHBondContact O-N 2.99Å
43R55.8Low52.9Low123 Ų123116.2 Ų116.246%0.46463%0.627SS.*Hα-helixtrans-66.2-45.1176.9-68.7159.4-173-109.5-1.8111.8D39 E40 A46 Q273D39-R43 WeakPolarHBondContact O-CD 3.5Å; D39-R43 VanDerWaalsContact O-CG 3.25Å; D39-R43 WeakPolarHBondContact O-CG 3.4Å; D39-R43 PolarHBondContact O-N 3.09Å; D39-R43 IonicContact OD2-CZ 3.14Å; D39-R43 IonicContact OD2-NE 2.8Å; D39-R43 PolarHBondContact OD2-NE 3.07Å; D39-R43 IonicContact OD2-NH2 2.68Å; D39-R43 PolarHBondContact OD2-NH2 3.23Å; E40-R43 PolarHBondContact O-N 3.46Å; E40-R43 VanDerWaalsContact O-N 3.13Å; R43-A46 PolarHBondContact O-N 3.41Å; R43-Q273 PolarHBondContact NH2-O 2.97Å
44I54.8Low52.1Low93 Ų93116.5 Ų116.548%0.47764%0.64SS.*Hα-helixtrans-60.9-48.7178-64.2166.9000110.4E40 A46 S47E40-I44 HydrophobicContact CG-CD1 4.46Å; E40-I44 WeakPolarHBondContact O-CG1 3.29Å; E40-I44 PolarHBondContact O-N 3.13Å; E40-I44 VanDerWaalsContact O-N 3.1Å; I44-A46 VanDerWaalsContact C-N 3.29Å; I44-A46 PolarHBondContact O-N 3.23Å; I44-S47 WeakPolarHBondContact O-CB 3.34Å; I44-S47 PolarHBondContact O-N 3Å; I44-S47 VanDerWaalsContact O-N 3.1Å; I44-S47 PolarHBondContact O-OG 3.19Å
45S50Low51.4Low81 Ų81124.8 Ų124.857%0.56666%0.659SS**Hα-helixtrans-61.2-33.5-176.7-59.90000113.6F41 S47F41-S45 WeakPolarHBondContact O-CB 3.4Å; F41-S45 PolarHBondContact O-N 3.24Å; F41-S45 VanDerWaalsContact O-N 3.15Å; F41-S45 PolarHBondContact O-OG 2.73Å; S45-S47 PolarHBondContact O-N 3.09Å
46A49.8Very low50.7Low82 Ų82128.2 Ų128.268%0.67867%0.674SS**Hα-helixtrans-68.9-18.6178.200000114.1S42 R43 I44S42-A46 PolarHBondContact O-N 2.99Å; R43-A46 PolarHBondContact O-N 3.41Å; I44-A46 VanDerWaalsContact C-N 3.29Å; I44-A46 PolarHBondContact O-N 3.23Å
47S49.7Very low49.9Very low91 Ų91132.7 Ų132.764%0.63669%0.685SS**THydrogen-bonded Turntrans-83.8-20-174.573.30000114.8I44 S45 M49I44-S47 WeakPolarHBondContact O-CB 3.34Å; I44-S47 PolarHBondContact O-N 3Å; I44-S47 VanDerWaalsContact O-N 3.1Å; I44-S47 PolarHBondContact O-OG 3.19Å; S45-S47 PolarHBondContact O-N 3.09Å; S47-M49 PolarHBondContact O-N 3.45Å
48V48.3Very low49.2Very low108 Ų108132.2 Ų132.266%0.65569%0.689SS**  trans-99.629.9-166.5-157.70000113.1
49M43.6Very low48Very low163 Ų163135 Ų13580%0.80370%0.699SS**  trans-110.174.8177.7-77.9-78.3105.300111.8S47 P51S47-M49 PolarHBondContact O-N 3.45Å; M49-P51 WeakPolarHBondContact O-CD 3.39Å
50R44.4Very low47.3Very low237 Ų237136.9 Ų136.989%0.89472%0.718SS**PPolyproline II helixtrans-78118.1170.6-82.3-176.1175.5163.20.3110.9T52R50-T52 PolarHBondContact O-N 3.04Å
51P41.6Very low46.3Very low126 Ų126140.6 Ų140.682%0.81873%0.733SS**PPolyproline II helixtrans-78.7118.9175.830.8-33.2000111.4M49M49-P51 WeakPolarHBondContact O-CD 3.39Å
52T49.5Very low45.7Very low140 Ų140139.7 Ų139.786%0.85974%0.744SS**PPolyproline II helixtrans-75.5134.9171.342.50000111R50R50-T52 PolarHBondContact O-N 3.04Å
53R42.8Very low44.9Very low256 Ų256145.9 Ų145.997%0.96676%0.762SS**PPolyproline II helixtrans-68.5136.8-177.4-66172.2169.7177.9-4.3111.5
54G45Very low44.5Very low73 Ų73146 Ų14675%0.75378%0.776SS**  trans-163.971.2179.800000117.9
55R45.2Very low43.9Very low256 Ų256150.4 Ų150.497%0.96680%0.795SS**  trans62166.3168-81.7-174.5168.2-163.9-3.2118
56T42.3Very low43.1Very low126 Ų126150.7 Ų150.777%0.77381%0.811SS**  trans-146.8140.3-166.145.90000113.3
57R40.7Very low42.6Very low235 Ų235150.3 Ų150.389%0.88782%0.815SS**  trans68.9162.1149.1-76-176.7174.6-154.8-2.5118.7
58P41.7Very low42.1Very low108 Ų108155.1 Ų155.170%0.70183%0.827SS**  cis-138158.8-31.136-19.2000116
59N35.5Very low42.3Very low128 Ų128159 Ų15968%0.68484%0.835SS**  trans31116.2137.3-16944000121.1
60S41.9Very low42.6Very low119 Ų119158.1 Ų158.183%0.83284%0.839SS**  trans-150.1134.3150.5-89.50000110.6
61F36.8Very low42.9Very low192 Ų192158.2 Ų158.284%0.84284%0.84SS**  trans-86.6138.2173.4-81.9-112.6000110.8
62S44.2Very low43.1Very low124 Ų124158.1 Ų158.187%0.86783%0.832SS**  trans-150.5140.6158.1-87.50000109.7
63K38.8Very low43.6Very low203 Ų203155.5 Ų155.588%0.88382%0.824SS**  trans-136.486.7-168.1-179.2-168.9173.5-177.60110.9
64T47.1Very low44.4Very low124 Ų124147.9 Ų147.976%0.76181%0.811SS**  trans-150.5142175.627.30000112.7
65Q42.5Very low44.9Very low186 Ų186150.7 Ų150.787%0.86981%0.809SS**  trans49.7116.7153.3-69.8175.7-44.800121.3
66G34.2Very low45.7Very low88 Ų88144.5 Ų144.591%0.90779%0.793SS**  45.797119.400000118.5
67G38.3Very low46.7Very low73 Ų73144.9 Ų144.975%0.75380%0.795SS**  trans-155.570.9174.400000111.6K69G67-K69 PolarHBondContact O-N 3.21Å
68E40.4Very low47.9Very low193 Ų193140.2 Ų140.290%0.90279%0.787SS**  trans-6196.8179179.6-174.6-161.400111.7
69K51.6Low49.3Very low189 Ų189137.1 Ų137.182%0.82277%0.774SS**  trans-142.2118164.4-67.4-164.9177.1-176.20111.8G67G67-K69 PolarHBondContact O-N 3.21Å
70T49.2Very low50.9Low144 Ų144137.2 Ų137.288%0.88378%0.782SS**  trans-13.112415951.30000115.4
71R51Low52.3Low240 Ų240139.6 Ų139.691%0.90678%0.78SS**  trans-130.1135170.1-144179.5-166.3-176.54.4110.1A73R71-A73 PolarHBondContact O-N 2.96Å
72D46.6Very low53.7Low124 Ų124139.6 Ų139.666%0.66378%0.78SS**  trans-72.3117.5-157.4-47.2-85.7000113.4S74D72-S74 PolarHBondContact O-N 2.86Å
73A59Low54.6Low84 Ų84142.3 Ų142.369%0.69477%0.771SS**G310 helixtrans-74-10.7178.700000113.8R71 N75R71-A73 PolarHBondContact O-N 2.96Å; A73-N75 PolarHBondContact O-N 2.77Å
74S59.6Low56Low97 Ų97136.9 Ų136.968%0.67876%0.755SS**G310 helixtrans-66.1-18-173.457.50000115.1D72D72-S74 PolarHBondContact O-N 2.86Å
75N57.3Low56.7Low132 Ų132142.5 Ų142.571%0.70676%0.762SS**G310 helixtrans-107.63.6-166.4-62.72.3000113.5A73 V77A73-N75 PolarHBondContact O-N 2.77Å; N75-V77 VanDerWaalsContact C-N 3.28Å; N75-V77 PolarHBondContact O-N 2.97Å
76I60.5Low57.6Low125 Ų125141.4 Ų141.464%0.64176%0.762SS**  trans-84.673.2177.3-47.6-178.4000109.5L78I76-L78 HydrophobicContact CG2-CD2 3.79Å; I76-L78 HydrophobicContact CG2-CG 4.08Å; I76-L78 PolarHBondContact O-N 3.1Å
77V62.8Low58.6Low134 Ų134141.6 Ų141.681%0.81275%0.746SS**  trans-68.998163.6-179.90000107.5N75 G79N75-V77 VanDerWaalsContact C-N 3.28Å; N75-V77 PolarHBondContact O-N 2.97Å; V77-G79 PolarHBondContact O-N 3.09Å
78L65.9Low59.4Low138 Ų138140.9 Ų140.972%0.72374%0.739SS**  trans-68.578.7167.8-65.9178.8000109I76I76-L78 HydrophobicContact CG2-CD2 3.79Å; I76-L78 HydrophobicContact CG2-CG 4.08Å; I76-L78 PolarHBondContact O-N 3.1Å
79G72.8Confident60.3Low42 Ų42136.3 Ų136.343%0.43373%0.727SS.*  trans-53.4148170.400000110.4V77 Q81V77-G79 PolarHBondContact O-N 3.09Å; G79-Q81 PolarHBondContact O-N 3.16Å
80P69.5Low60.5Low130 Ų130135.5 Ų135.584%0.84473%0.726SS**  trans-47.9106-160.416.4-31.8000111.8K82P80-K82 PolarHBondContact O-N 3.35Å
81Q70.7Confident60.9Low170 Ų170134.4 Ų134.479%0.79472%0.718SS**  trans-64.8116.1-169-175.9168.1-500108.6G79 R83G79-Q81 PolarHBondContact O-N 3.16Å; Q81-R83 PolarHBondContact O-N 3.4Å
82K66.5Low60.8Low191 Ų191128 Ų12883%0.8371%0.711SS**  trans-66.480.7-178.2-72178.7177.6171.60110.4P80 T84P80-K82 PolarHBondContact O-N 3.35Å; K82-T84 PolarHBondContact O-N 3.29Å
83R63.1Low60.9Low182 Ų182130.5 Ų130.569%0.68772%0.718SS**  trans-63.8102.2170.6-173177.5-177.3112.8-2.4107.6Q81 W85Q81-R83 PolarHBondContact O-N 3.4Å; R83-W85 PolarHBondContact O-N 3.46Å; R83-W85 VanDerWaalsContact O-N 3.08Å
84T66.5Low60.5Low88 Ų88134.7 Ų134.754%0.5472%0.723SS.*  trans-60109.5171.936.10000108.8K82 N86 T87K82-T84 PolarHBondContact O-N 3.29Å; T84-N86 PolarHBondContact O-N 2.99Å; T84-T87 PolarHBondContact O-N 3.23Å; T84-T87 PolarHBondContact O-OG1 3.4Å; T84-T87 PolarHBondContact OG1-OG1 2.72Å
85W62.6Low60Low243 Ų243135.6 Ų135.692%0.9273%0.727SS**THydrogen-bonded Turntrans-60.5-12.6-176.5-75.4-32.2000114.2R83R83-W85 PolarHBondContact O-N 3.46Å; R83-W85 VanDerWaalsContact O-N 3.08Å
86N61.7Low59.4Low162 Ų162137.4 Ų137.487%0.86673%0.731SS**THydrogen-bonded Turntrans-102.96.4-176.9-59.844.1000114T84T84-N86 PolarHBondContact O-N 2.99Å
87T55.9Low58.5Low93 Ų93134.3 Ų134.357%0.57173%0.73SS**SBendtrans-105.1106.3170.548.60000109.5T84T84-T87 PolarHBondContact O-N 3.23Å; T84-T87 PolarHBondContact O-OG1 3.4Å; T84-T87 PolarHBondContact OG1-OG1 2.72Å
88G55Low57.6Low58 Ų58138.8 Ų138.860%0.59873%0.732SS**  trans-58152-176.600000113.5H90G88-H90 VanDerWaalsContact C-N 3.31Å; G88-H90 PolarHBondContact O-N 2.97Å
89C57.9Low56.3Low97 Ų97141 Ų14166%0.65574%0.739SS**  trans-7584179.5-166.80000110.5V91C89-V91 PolarHBondContact O-N 2.59Å
90H56.2Low54.9Low172 Ų172144.5 Ų144.580%0.79676%0.757SS**  trans-64.997.4166.6-70.5-73.3000109.1G88 S92G88-H90 VanDerWaalsContact C-N 3.31Å; G88-H90 PolarHBondContact O-N 2.97Å; H90-S92 PolarHBondContact O-N 3.3Å
91V57.4Low53.5Low120 Ų120143.9 Ų143.973%0.72776%0.756SS**  trans-70.778.1165.3-176.10000107.4C89 Q93C89-V91 PolarHBondContact O-N 2.59Å; V91-Q93 PolarHBondContact O-N 3.46Å
92S50.2Low52.1Low107 Ų107143.8 Ų143.875%0.74876%0.76SS**  trans-64.6100.6168.555.60000107.6H90 Q94H90-S92 PolarHBondContact O-N 3.3Å; S92-Q94 PolarHBondContact O-N 3.39Å
93Q47.7Very low51.1Low176 Ų176140.7 Ų140.782%0.82276%0.758SS**  trans-59.2107.3173.8-65.8-174.412.700108.1V91 P95V91-Q93 PolarHBondContact O-N 3.46Å; Q93-P95 WeakPolarHBondContact O-CD 3.27Å
94Q50.3Low50.1Low171 Ų171138.7 Ų138.780%0.79976%0.761SS**  trans-61.9122.8175.6177.3178.4-18.200108.1S92 Q96S92-Q94 PolarHBondContact O-N 3.39Å; Q94-Q96 PolarHBondContact O-N 3.06Å; Q94-Q96 VanDerWaalsContact O-N 3.07Å
95P50.2Low49Very low116 Ų116141.8 Ų141.875%0.75377%0.774SS**  trans-61.7116.5173.2-20.332.6000108.8Q93 G97Q93-P95 WeakPolarHBondContact O-CD 3.27Å; P95-G97 PolarHBondContact O-N 3.36Å
96Q44.9Very low47.8Very low171 Ų171134.7 Ų134.780%0.79976%0.761SS**  trans-72.480.1167.8-81.7-161.9-16.500109.3Q94 R98Q94-Q96 PolarHBondContact O-N 3.06Å; Q94-Q96 VanDerWaalsContact O-N 3.07Å; Q96-R98 PolarHBondContact O-N 3.42Å
97G40.4Very low47.1Very low59 Ų59132.7 Ų132.761%0.60876%0.755SS**  trans-61.6100.8162.100000109.2P95 E99P95-G97 PolarHBondContact O-N 3.36Å; G97-E99 VanDerWaalsContact C-N 3.3Å; G97-E99 PolarHBondContact O-N 2.67Å
98R44.1Very low46.5Very low228 Ų228139.9 Ų139.986%0.8677%0.772SS**  trans-76.181.4174-80.6-173.2170.5-170.2-2.6110.3Q96 S100Q96-R98 PolarHBondContact O-N 3.42Å; R98-S100 PolarHBondContact O-N 3.39Å
99E39.1Very low45.6Very low184 Ų184140.8 Ų140.886%0.8677%0.769SS**  trans-83.582.5168.7-66.9-176.3-134.300109.7G97G97-E99 VanDerWaalsContact C-N 3.3Å; G97-E99 PolarHBondContact O-N 2.67Å
100S43.2Very low44.9Very low117 Ų117144.1 Ų144.182%0.81877%0.773SS**  trans-166.687.2174.1-78.20000112.9R98R98-S100 PolarHBondContact O-N 3.39Å
101S39.3Very low44.5Very low116 Ų116143.7 Ų143.781%0.81177%0.768SS**  trans-162.248157.569.70000113.7T103S101-T103 PolarHBondContact O-N 2.68Å; S101-T103 VanDerWaalsContact O-N 3.1Å
102D42Very low43.9Very low168 Ų168144.4 Ų144.490%0.89877%0.768SS**  trans-7393.1164.9-83.5-49.2000109.9
103T45.9Very low43.7Very low127 Ų127143.5 Ų143.578%0.77976%0.762SS**  trans-160.299.3154.5-4.10000113.5S101S101-T103 PolarHBondContact O-N 2.68Å; S101-T103 VanDerWaalsContact O-N 3.1Å
104N42.8Very low43.5Very low140 Ų140142.6 Ų142.675%0.74976%0.758SS**  trans24.8143.4138.9-68.2-37.5000121.8
105N42.7Very low43.1Very low153 Ų153140.8 Ų140.882%0.81875%0.753SS**  trans94.3135.4158-56.9-36.2000117.4
106S38.1Very low42.8Very low93 Ų93146.2 Ų146.265%0.6576%0.759SS**  cis-162.5165.4-22.5-159.60000111.4
107T46.4Very low42.6Very low121 Ų121143 Ų14374%0.74276%0.756SS**  trans66.1124.816468.70000119.6
108R42.1Very low42.4Very low244 Ų244151 Ų15192%0.92177%0.769SS**  trans79.6141.7148.8-74-177.4172.2-169-0.6119.6
109S36.2Very low42.3Very low76 Ų76145.9 Ų145.953%0.53176%0.759SS.*  cis176.9132.7-21.3143.60000110.1
110K43.4Very low42.5Very low168 Ų168144.8 Ų144.873%0.7375%0.751SS**  trans68148.5157.3-65.7166.9-169.9-1780115.6
111F49.1Very low42.4Very low162 Ų162147.2 Ų147.271%0.71175%0.75SS**  cis-155.7151-5.1-109.7-39.6000108.4
112N44.4Very low42.7Very low136 Ų136149.8 Ų149.873%0.72775%0.748SS**  trans63.7154.7146.3-65.715000118.9
113S44.9Very low42.8Very low88 Ų88148.3 Ų148.362%0.61575%0.749SS**  cis-167.3147.6-18.746.80000109.4
114E44.4Very low43Very low156 Ų156151.7 Ų151.773%0.72975%0.754SS**  trans50.9127.5146.1-91.254.2-142.500122.3
115N41.2Very low43.2Very low133 Ų133149.7 Ų149.771%0.71176%0.756SS**  trans90.4124.8133.7-77.4-43000121.9
116R44.6Very low43.4Very low231 Ų231148.5 Ų148.587%0.87276%0.755SS**  trans71152.7156.1-59.9168.2-164.8-165.75.3116.5
117S39.8Very low43.8Very low104 Ų104148.3 Ų148.373%0.72775%0.753SS**  cis-163.3163.4-39-135.30000108.1D119S117-D119 PolarHBondContact O-N 3.29Å
118Y37.5Very low43.7Very low227 Ų227149 Ų14989%0.8975%0.753SS**  trans-35.5125.4171.2-57.1-99.8000114.5
119D40.7Very low44.1Very low120 Ų120147.3 Ų147.364%0.64275%0.748SS**  -160163.4103.2-138.5-4.7000115.3S117S117-D119 PolarHBondContact O-N 3.29Å
120K44.4Very low45.1Very low160 Ų160153.5 Ų153.570%0.69677%0.765SS**  trans-0.4164.1162.9-69.7156.9-164.586.60123.6
121Q40.5Very low45.6Very low169 Ų169156 Ų15679%0.7977%0.77SS**  trans92.4155.6160-71.2166.1-6.600119
122H45.7Very low45.7Very low169 Ų169156.7 Ų156.778%0.78278%0.775SS**  trans70.654176.6-50.3-67.6000118.7K124H122-K124 PolarHBondContact O-N 3.04Å
123C43.7Very low46.2Very low137 Ų137161.2 Ų161.293%0.92678%0.784SS**PPolyproline II helixtrans-57.4131144.9-71.50000109.2
124K51Low46.5Very low199 Ų199168.8 Ų168.887%0.86580%0.799SS**PPolyproline II helixtrans-78.8138.1-171.1-62.5176.5-178.3177.30111.1H122 T126H122-K124 PolarHBondContact O-N 3.04Å; K124-T126 PolarHBondContact O-N 2.79Å
125A46.4Very low46.5Very low97 Ų97167 Ų16780%0.80280%0.803SS**PPolyproline II helixtrans-68.3128.6-179.800000111.7S127A125-S127 PolarHBondContact O-N 2.85Å; A125-S127 VanDerWaalsContact O-N 3.15Å
126T47.8Very low46.7Very low128 Ų128169.7 Ų169.779%0.78581%0.811SS**  trans-8674.117748.70000111.1K124K124-T126 PolarHBondContact O-N 2.79Å
127S46.4Very low46.9Very low89 Ų89165.9 Ų165.962%0.62281%0.808SS**  trans-152.395.5178.2169.50000110.7A125A125-S127 PolarHBondContact O-N 2.85Å; A125-S127 VanDerWaalsContact O-N 3.15Å
128D42.9Very low47.8Very low137 Ų137168.6 Ų168.673%0.73381%0.813SS**  trans-170.27.6160.7-106.7-27.9000115.2K130D128-K130 PolarHBondContact O-N 3.29Å
129Y50.4Low48.6Very low207 Ų207169 Ų16981%0.81281%0.813SS**THydrogen-bonded Turntrans-73.843.8-172.243.2-98.4000115.2
130K57.8Low48.7Very low206 Ų206166.5 Ų166.590%0.89682%0.815SS**THydrogen-bonded Turntrans-144.223.2-178.3-146.8178.9-176.1178.10115.2D128D128-K130 PolarHBondContact O-N 3.29Å
131R53.7Low48.6Very low222 Ų222166 Ų16684%0.83883%0.828SS**SBendtrans-127.2-0.4-178.4-162.6166.8-74.2-118.71.2115.8
132E51.5Low48.9Very low175 Ų175161 Ų16182%0.81882%0.823SS**  trans-11473.3-166.5-67.8174.216700112.8
133Y54.3Low49Very low232 Ų232163.8 Ų163.891%0.9183%0.826SS**SBendtrans-141.418.7176.9-116.6-85.2000114.7
134R50.8Low48.8Very low247 Ų247161.4 Ų161.493%0.93282%0.824SS**SBendtrans-139.312.1-178.9-74.4-164.5173.1-164.9-2116
135S44.5Very low48.9Very low117 Ų117162.2 Ų162.282%0.81882%0.822SS**  trans-12459.1-173-58.20000112.7
136H46.2Very low48.8Very low190 Ų190165 Ų16588%0.8882%0.823SS**  trans-106.135.9174.8-138.2-60.3000112.6
137D49.5Very low48.9Very low151 Ų151171 Ų17181%0.80783%0.831SS**  trans-92.1140.4-175.5-140.8-25.7000111.8R139D137-R139 PolarHBondContact O-N 2.9Å
138I59.1Low48.9Very low162 Ų162169.8 Ų169.883%0.83183%0.833SS**SBendtrans-86.735.3-153.5-55.9165.8000112.4
139R54.4Low49.1Very low236 Ų236173 Ų17389%0.89184%0.841SS**  trans-142102.9178.2-62.2-172.5-171.1-142.9-1.8111.3D137D137-R139 PolarHBondContact O-N 2.9Å
140G41.4Very low48.6Very low67 Ų67166.7 Ų166.769%0.69184%0.84SS**  trans-66.7165.2-175.700000115.1G142G140-G142 VanDerWaalsContact C-N 3.3Å; G140-G142 PolarHBondContact O-N 3.47Å
141P42.6Very low48.2Very low149 Ų149167.4 Ų167.497%0.96884%0.837SS**  trans-73.774.6-173.530.9-36.4000112.7
142G46.8Very low47.8Very low65 Ų65165.2 Ų165.267%0.6784%0.836SS**  trans-110.290-173.100000114.7G140G140-G142 VanDerWaalsContact C-N 3.3Å; G140-G142 PolarHBondContact O-N 3.47Å
143R49Very low47.7Very low227 Ų227160.8 Ų160.886%0.85783%0.828SS**  trans60.196.7166-49.9-170.6-166.9-70.2-0.1116.8R145R143-R145 PolarHBondContact O-N 2.9Å
144G38.5Very low47.7Very low86 Ų86158.1 Ų158.189%0.88783%0.825SS**  trans-65.9118.5146.600000110.1
145R52.6Low47.5Very low217 Ų217152 Ų15282%0.81982%0.818SS**  trans-138.3119.5158.4-90.8-168.2174.2-177.1-2.7108.5R143R143-R145 PolarHBondContact O-N 2.9Å
146D44.2Very low47.7Very low154 Ų154150.1 Ų150.182%0.82481%0.81SS**  trans29.588.1154-48-45000117.2G148D146-G148 VanDerWaalsContact C-N 3.29Å; D146-G148 PolarHBondContact O-N 3.43Å
147R49.6Very low47.6Very low254 Ų254146.9 Ų146.996%0.95881%0.806SS**  trans-70.691.2155.4-79.5-175.3174.2165.1-0.9108.8
148G47.5Very low47.6Very low64 Ų64149.2 Ų149.266%0.6681%0.809SS**PPolyproline II helixtrans-54.4148.5167.800000111.9D146 G150D146-G148 VanDerWaalsContact C-N 3.29Å; D146-G148 PolarHBondContact O-N 3.43Å; G148-G150 PolarHBondContact O-N 3.42Å
149F47.6Very low47.2Very low204 Ų204148.3 Ų148.390%0.89580%0.804SS**PPolyproline II helixtrans-50.5123.4-173.7-73.2-99.6000113.8
150G39.9Very low47.4Very low76 Ų76146.3 Ų146.378%0.78480%0.802SS**PPolyproline II helixtrans-86.4131162.600000111.5G148G148-G150 PolarHBondContact O-N 3.42Å
151R49Very low47.5Very low221 Ų221148.3 Ų148.383%0.83480%0.797SS**  trans-145.6138.9164-71.8-171.6179.7-89.32.4108.9
152H45.8Very low47.8Very low176 Ų176149.6 Ų149.682%0.81579%0.789SS**  trans51107.1174.7-96.9-114.5000116.2
153A48.8Very low47.7Very low81 Ų81151.7 Ų151.767%0.66979%0.794SS**  68.7111.559.800000113.9
154E53.7Low47.4Very low177 Ų177151 Ų15183%0.82779%0.791SS**  trans-169151.7131.4-106.5165.5-136.700112.2
155C47.4Very low48Very low118 Ų118153.6 Ų153.680%0.79778%0.78SS**  trans41.2100.5153.6-60.80000121.9
156A47.4Very low48Very low78 Ų78150.7 Ų150.765%0.64578%0.781SS**  170.6114.8117.300000113F158A156-F158 HydrophobicContact CB-CE2 4.4Å
157P45.6Very low48.2Very low122 Ų122154.1 Ų154.179%0.79278%0.783SS**  trans-96.1107.2176.834.3-30000113I159P157-I159 PolarHBondContact O-N 3.5Å
158F49.4Very low48.2Very low200 Ų200152.9 Ų152.988%0.87778%0.78SS**  trans-9685.7169.1-76-73.2000111.8A156 K160A156-F158 HydrophobicContact CB-CE2 4.4Å; F158-K160 PolarHBondContact O-N 2.91Å
159I50.8Low48.7Very low142 Ų142156.4 Ų156.473%0.72878%0.782SS**  trans-77.8112.3166.4-59.4176.2000108.2P157P157-I159 PolarHBondContact O-N 3.5Å
160K58Low48.8Very low194 Ų194153.5 Ų153.584%0.84377%0.771SS**  trans-122.582165.4-166.1171.8-176.7177.60110.5F158F158-K160 PolarHBondContact O-N 2.91Å
161N43.3Very low49.2Very low110 Ų110157 Ų15759%0.58877%0.771SS**  trans-72173.1158.9-73.9-42.2000109.9
162H49.3Very low49.3Very low175 Ų175157.8 Ų157.881%0.8177%0.774SS**  trans69.6134.4179.2-29.8-72.2000113
163S43.9Very low49.5Very low109 Ų109159.4 Ų159.476%0.76277%0.773SS**  cis-108.5173.511.2-164.60000114
164R44.1Very low49.7Very low212 Ų212162.9 Ų162.980%0.878%0.779SS**  trans-79-169.7152.4-70.4-178.7171.1-178.4-3.1109.4
165E50.7Low49.2Very low141 Ų141159.1 Ų159.166%0.65977%0.772SS**  trans69.8175.9-176.3-6653.9-95.800113.3R167E165-R167 PolarHBondContact O-N 3.47Å
166D51.4Low49.1Very low156 Ų156157.9 Ų157.983%0.83477%0.765SS**  trans59.321175.6-61.7-10.9000120.3
167R49.3Very low49.1Very low227 Ų227158.5 Ų158.586%0.85776%0.764SS**  trans-106.16.9165.8-99.2-166.2-74.6166.8-5116.9E165 I169E165-R167 PolarHBondContact O-N 3.47Å; R167-I169 VanDerWaalsContact C-N 3.26Å; R167-I169 PolarHBondContact O-N 2.87Å; R167-I169 VanDerWaalsContact O-N 3.1Å
168Y49.9Very low49.3Very low228 Ų228161.3 Ų161.389%0.89477%0.767SS**THydrogen-bonded Turntrans-77.414.4-174.6-91.7-76.7000116.9
169I56.7Low49.8Very low138 Ų138154.9 Ų154.971%0.70875%0.746SS**THydrogen-bonded Turntrans-115.8-6.3-164.3-62.9-179.1000114.5R167R167-I169 VanDerWaalsContact C-N 3.26Å; R167-I169 PolarHBondContact O-N 2.87Å; R167-I169 VanDerWaalsContact O-N 3.1Å
170H51.2Low50.5Low142 Ų142156 Ų15666%0.65775%0.754SS**SBendtrans-117.3-13.1-175-828.6000118R172H170-R172 PolarHBondContact O-N 3.36Å
171D48Very low51.4Low150 Ų150152.9 Ų152.980%0.80275%0.747SS**THydrogen-bonded Turntrans-77.527175.7-63.6-33.2000114.2
172R50.3Low53.4Low237 Ų237154 Ų15489%0.89475%0.748SS**THydrogen-bonded Turntrans-114.514.7178.9-80.1-164.1-175.4-139.75.1114.5H170H170-R172 PolarHBondContact O-N 3.36Å
173R50.4Low54.9Low211 Ų211148.8 Ų148.880%0.79673%0.73SS**SBendtrans-127.9-13.4-171-73.3-171.8176.4166.30.1117.9
174I52.6Low56.7Low153 Ų153151.8 Ų151.879%0.78573%0.732SS**  trans-137.661.5175-41.7178.8000110.3
175S42.6Very low58.7Low99 Ų99150.8 Ų150.869%0.69273%0.728SS**  trans-112.347.2163.7-55.40000109.5S177S175-S177 PolarHBondContact O-N 3.24Å
176S45.3Very low59.9Low91 Ų91149.1 Ų149.164%0.63672%0.719SS**  trans-7374.3164.655.70000108.4H178S176-H178 VanDerWaalsContact C-N 3.27Å; S176-H178 PolarHBondContact O-N 3.29Å
177S48.1Very low61.2Low91 Ų91145.4 Ų145.464%0.63671%0.71SS**  trans-64.993165.447.80000107.9S175 S179S175-S177 PolarHBondContact O-N 3.24Å; S177-S179 PolarHBondContact O-N 3.47Å; S177-S179 PolarHBondContact O-OG 2.98Å
178H50.8Low62.7Low182 Ų182143 Ų14384%0.84371%0.709SS**  trans-70.270.6150.7-75.5-48.9000107.9S176S176-H178 VanDerWaalsContact C-N 3.27Å; S176-H178 PolarHBondContact O-N 3.29Å
179S59.9Low64.3Low64 Ų64133.5 Ų133.545%0.44868%0.68SS.*  trans-58144.4130.736.90000107.3S177 D181S177-S179 PolarHBondContact O-N 3.47Å; S177-S179 PolarHBondContact O-OG 2.98Å; S179-D181 WeakPolarHBondContact CB-OD1 3.35Å; S179-D181 PolarHBondContact O-N 2.92Å; S179-D181 PolarHBondContact OG-OD1 3.48Å
180D65.8Low65.5Low165 Ų165131.1 Ų131.188%0.88267%0.673SS**  trans-72.579.9169.1-61.4-74.7000107.9E182D180-E182 PolarHBondContact O-N 2.8Å
181D75.9Confident67Low130 Ų130129.9 Ų129.970%0.69568%0.676SS**  trans-59.9107.1175.8-71.3-0.5000107.8S179S179-D181 WeakPolarHBondContact CB-OD1 3.35Å; S179-D181 PolarHBondContact O-N 2.92Å; S179-D181 PolarHBondContact OG-OD1 3.48Å
182E84.7Confident68.5Low133 Ų133125.6 Ų125.662%0.62166%0.656SS**  trans-60.2132.2-172-156.9176.3178.300109.4D180 E184 F186D180-E182 PolarHBondContact O-N 2.8Å; E182-E184 PolarHBondContact O-N 3.2Å; E182-F186 HydrophobicContact CG-CB 3.82Å; E182-F186 HydrophobicContact CG-CD2 4.28Å; E182-F186 HydrophobicContact CG-CG 4.2Å
183P82Confident70Confident66 Ų66119.6 Ų119.643%0.42965%0.645SS.*  trans-53.9138.6-174-26.833.2000111.7W185 F186P183-W185 HydrophobicContact CB-CG 4.47Å; P183-W185 PolarHBondContact O-N 3.17Å; P183-F186 HydrophobicContact CB-CD2 4.09Å; P183-F186 HydrophobicContact CG-CD2 4.14Å; P183-F186 HydrophobicContact CG-CE2 4.34Å; P183-F186 WeakPolarHBondContact O-CB 3.42Å; P183-F186 PolarHBondContact O-N 3.17Å
184E81.3Confident71.5Confident172 Ų172117.1 Ų117.180%0.80465%0.647SS**Hα-helixtrans-51.2-30-169.5-61.9175.4148.300113.9E182 F186 A187 E188E182-E184 PolarHBondContact O-N 3.2Å; E184-F186 VanDerWaalsContact C-N 3.29Å; E184-F186 PolarHBondContact O-N 2.9Å; E184-A187 PolarHBondContact O-N 2.91Å; E184-A187 VanDerWaalsContact O-N 3.17Å; E184-E188 PolarHBondContact O-N 3.3Å
185W85.2Confident73Confident190 Ų190114.5 Ų114.572%0.7263%0.632SS**Hα-helixtrans-74-6.9177.162.8-88.7000115.9P183P183-W185 HydrophobicContact CB-CG 4.47Å; P183-W185 PolarHBondContact O-N 3.17Å
186F77.1Confident74.8Confident106 Ų106113.3 Ų113.347%0.46562%0.62SS.*Hα-helixtrans-92.8-38.7162.1-72.9-83.4000111.3E182 P183 E184 E188 G189E182-F186 HydrophobicContact CG-CB 3.82Å; E182-F186 HydrophobicContact CG-CD2 4.28Å; E182-F186 HydrophobicContact CG-CG 4.2Å; P183-F186 HydrophobicContact CB-CD2 4.09Å; P183-F186 HydrophobicContact CG-CD2 4.14Å; P183-F186 HydrophobicContact CG-CE2 4.34Å; P183-F186 WeakPolarHBondContact O-CB 3.42Å; P183-F186 PolarHBondContact O-N 3.17Å; E184-F186 VanDerWaalsContact C-N 3.29Å; E184-F186 PolarHBondContact O-N 2.9Å; F186-E188 VanDerWaalsContact C-N 3.32Å; F186-E188 PolarHBondContact O-N 3.09Å; F186-G189 PolarHBondContact O-N 3.38Å
187A77.6Confident76.4Confident78 Ų78115.5 Ų115.565%0.64562%0.624SS**Hα-helixtrans-66.2-32.1179.800000112.9E184 G189E184-A187 PolarHBondContact O-N 2.91Å; E184-A187 VanDerWaalsContact O-N 3.17Å; A187-G189 VanDerWaalsContact C-N 3.31Å; A187-G189 PolarHBondContact O-N 3.28Å
188E81Confident78Confident177 Ų177119 Ų11983%0.82763%0.63SS**THydrogen-bonded Turntrans-93.736.2174.2-154.9176-158.200112.5E184 F186E184-E188 PolarHBondContact O-N 3.3Å; F186-E188 VanDerWaalsContact C-N 3.32Å; F186-E188 PolarHBondContact O-N 3.09Å
189G84Confident79.3Confident29 Ų29117.3 Ų117.330%0.29963%0.626SS.*SBendtrans-65.1157165.500000111.9F186 A187 T191F186-G189 PolarHBondContact O-N 3.38Å; A187-G189 VanDerWaalsContact C-N 3.31Å; A187-G189 PolarHBondContact O-N 3.28Å; G189-T191 WeakPolarHBondContact O-CG2 3.35Å; G189-T191 PolarHBondContact O-N 3.33Å
190P81.5Confident79.4Confident87 Ų87117.6 Ų117.657%0.56564%0.639SS**  trans-58.7113.5-177.724.5-34.2000110.9E195P190-E195 HydrophobicContact CB-CB 3.6Å
191T82.3Confident79Confident116 Ų116112.8 Ų112.871%0.71263%0.629SS**  trans-84.2-21.9-173.9650000112.5G189 E195G189-T191 WeakPolarHBondContact O-CG2 3.35Å; G189-T191 PolarHBondContact O-N 3.33Å; T191-E195 PolarHBondContact N-OE2 2.8Å; T191-E195 PolarHBondContact OG1-OE1 3.13Å; T191-E195 PolarHBondContact OG1-OE2 3.46Å
192T80.7Confident78.4Confident61 Ų61114.3 Ų114.337%0.37464%0.635SS.*SBendtrans-120.7154.8175.274.50000112N194 E195T192-N194 PolarHBondContact O-N 3.26Å; T192-E195 WeakPolarHBondContact CB-OE1 3.5Å; T192-E195 VanDerWaalsContact CG2-OE1 3.27Å; T192-E195 WeakPolarHBondContact CG2-OE1 3.16Å; T192-E195 PolarHBondContact N-OE2 3.41Å; T192-E195 PolarHBondContact O-N 3.06Å; T192-E195 PolarHBondContact OG1-N 2.77Å; T192-E195 PolarHBondContact OG1-OE1 3.03Å
193V81.8Confident77.1Confident111 Ų111115.1 Ų115.167%0.67364%0.643SS**G310 helixtrans-58.7-31.8174-1770000110.8E195 T196V193-E195 VanDerWaalsContact C-N 3.28Å; V193-E195 PolarHBondContact O-N 3.1Å; V193-T196 VanDerWaalsContact O-CB 3.28Å; V193-T196 WeakPolarHBondContact O-CB 3.19Å; V193-T196 PolarHBondContact O-N 3.33Å
194N81.9Confident76Confident158 Ų158120.6 Ų120.685%0.84566%0.663SS**G310 helixtrans-70.1-18.9177.9-61.488000114.3T192 T196T192-N194 PolarHBondContact O-N 3.26Å; N194-T196 VanDerWaalsContact C-N 3.34Å
195E83.9Confident74.9Confident99 Ų99121.5 Ų121.546%0.46367%0.667SS.*G310 helixtrans-83.2-12.4169.3-71.5141-126.300112.3P190 T191 T192 V193P190-E195 HydrophobicContact CB-CB 3.6Å; T191-E195 PolarHBondContact N-OE2 2.8Å; T191-E195 PolarHBondContact OG1-OE1 3.13Å; T191-E195 PolarHBondContact OG1-OE2 3.46Å; T192-E195 WeakPolarHBondContact CB-OE1 3.5Å; T192-E195 VanDerWaalsContact CG2-OE1 3.27Å; T192-E195 WeakPolarHBondContact CG2-OE1 3.16Å; T192-E195 PolarHBondContact N-OE2 3.41Å; T192-E195 PolarHBondContact O-N 3.06Å; T192-E195 PolarHBondContact OG1-N 2.77Å; T192-E195 PolarHBondContact OG1-OE1 3.03Å; V193-E195 VanDerWaalsContact C-N 3.28Å; V193-E195 PolarHBondContact O-N 3.1Å
196T79.3Confident73.4Confident73 Ų73118.2 Ų118.245%0.44867%0.668SS.*SBendtrans-85.6120.1178-56.20000110V193 N194 E198V193-T196 VanDerWaalsContact O-CB 3.28Å; V193-T196 WeakPolarHBondContact O-CB 3.19Å; V193-T196 PolarHBondContact O-N 3.33Å; N194-T196 VanDerWaalsContact C-N 3.34Å; T196-E198 PolarHBondContact O-N 3.23Å
197I80.7Confident72.5Confident137 Ų137119.1 Ų119.170%0.70368%0.682SS**  trans-71.2110.8173.451.5171.6000110.6L199I197-L199 HydrophobicContact CD1-CD2 4.14Å; I197-L199 HydrophobicContact CG1-CD2 4.45Å; I197-L199 PolarHBondContact O-N 3.22Å; I197-L199 VanDerWaalsContact O-N 3.09Å
198E80.8Confident71.2Confident164 Ų164124.3 Ų124.377%0.76669%0.693SS**  trans-67.9106173.2-67.6-172.617500109.9T196 G200T196-E198 PolarHBondContact O-N 3.23Å; E198-G200 PolarHBondContact O-N 3.49Å
199L77.9Confident69.4Low147 Ų147122.6 Ų122.677%0.7770%0.699SS**  trans-80.212.4177.3-62.7178.1000113.2I197I197-L199 HydrophobicContact CD1-CD2 4.14Å; I197-L199 HydrophobicContact CG1-CD2 4.45Å; I197-L199 PolarHBondContact O-N 3.22Å; I197-L199 VanDerWaalsContact O-N 3.09Å
200G61.6Low67.5Low70 Ų70125.4 Ų125.472%0.72272%0.719SS**  trans-96.1113.8174.300000111.2E198E198-G200 PolarHBondContact O-N 3.49Å
201G58.2Low65.5Low64 Ų64126.8 Ų126.866%0.6673%0.731SS**SBendtrans158.3-29.9174.700000114.4L203G201-L203 VanDerWaalsContact C-N 3.33Å; G201-L203 PolarHBondContact O-N 3.36Å
202I63.2Low63.5Low163 Ų163126.5 Ų126.584%0.83673%0.732SS**THydrogen-bonded Turntrans-9125.5-177.659168.5000114.4
203L57.3Low61.7Low150 Ų150129 Ų12979%0.78575%0.751SS**THydrogen-bonded Turntrans-131.97.6-174.1-157.261000115.4G201G201-L203 VanDerWaalsContact C-N 3.33Å; G201-L203 PolarHBondContact O-N 3.36Å
204E59.7Low59.7Low180 Ų180133.2 Ų133.284%0.84176%0.761SS**SBendtrans-112-16.6175.8-67.3-172.7143.500113.9T206E204-T206 PolarHBondContact O-N 2.86Å
205E57.6Low57.6Low191 Ų191131.3 Ų131.389%0.89376%0.759SS**THydrogen-bonded Turntrans-78.222.9-174.4-150.4179.7-167.400115.2
206T53.9Low55.5Low122 Ų122134.7 Ų134.775%0.74878%0.779SS**THydrogen-bonded Turntrans-132.67.3-175520000116E204E204-T206 PolarHBondContact O-N 2.86Å
207V58.1Low53.4Low125 Ų125135 Ų13576%0.75880%0.796SS**SBendtrans-130.917.6-172.6-151.90000115
208E50.8Low51.7Low186 Ų186135.2 Ų135.287%0.86980%0.804SS**  trans-140.627.8177.5-141161.4-128.800116.9A210E208-A210 VanDerWaalsContact C-N 3.29Å; E208-A210 PolarHBondContact O-N 3.41Å
209C43.1Very low50.2Low142 Ų142135.4 Ų135.496%0.95981%0.805SS**  trans-88.353.4169.5-83.40000113.4
210A43.4Very low48.5Very low87 Ų87135.1 Ų135.172%0.71980%0.804SS**  trans-88105163.500000109E208E208-A210 VanDerWaalsContact C-N 3.29Å; E208-A210 PolarHBondContact O-N 3.41Å
211S39.5Very low47.6Very low117 Ų117139.3 Ų139.382%0.81881%0.809SS**  trans-65.9142.6-173.4570000113.2
212P39.7Very low47Very low110 Ų110144.8 Ų144.871%0.71482%0.823SS**  -134.9-173.4115.539.2-30.7000112.7
213S43.8Very low46Very low113 Ų113141.8 Ų141.879%0.7982%0.816SS**  trans78109.8169-50.70000117.3
214K38.5Very low45.3Very low200 Ų200143.5 Ų143.587%0.8782%0.82SS**  trans-77.2124.9159-64.2167.4175.7175.20109.3
215C38.1Very low44.8Very low118 Ų118141 Ų14180%0.79782%0.817SS**  trans-135.7103.1153.5-70.90000105.7
216L39.9Very low44.2Very low170 Ų170138.7 Ų138.789%0.8981%0.811SS**  51.8105.979.6-71.6173.9000112.3
217G35.3Very low43.8Very low78 Ų78139.8 Ų139.880%0.80481%0.812SS**  trans-176.751.4-17600000109.9
218V46.1Very low43.3Very low143 Ų143138 Ų13887%0.86781%0.805SS**  trans-98.5123.3168.6178.10000106.3
219E49.4Very low43Very low168 Ų168137 Ų13779%0.78580%0.804SS**  trans-75.5143-179.8-64.2-171.7109.500111.9
220N42.2Very low43.3Very low141 Ų141138 Ų13875%0.75480%0.799SS**  trans15.5109.9146.6-50.3-27.9000117.8
221D41.9Very low43.5Very low157 Ų157138.5 Ų138.584%0.8480%0.795SS**  -173.5105.1120.2-102.1-17000111.1
222L45.7Very low43.6Very low179 Ų179140.2 Ų140.294%0.93780%0.795SS**  trans-177.7116.8154.5-104.3155000109.2
223S41.9Very low43.7Very low101 Ų101139.5 Ų139.571%0.70679%0.792SS**  trans-114.3167.4174.360.40000110.7
224Q43.3Very low43.5Very low185 Ų185138.9 Ų138.986%0.86479%0.788SS**  trans72.2147.1-172.6-43.5179.1-9.900113.1
225V48.1Very low43.9Very low128 Ų128136.9 Ų136.978%0.77679%0.785SS**  cis-131.315910.4-168.80000110.1
226D45.9Very low43.9Very low143 Ų143136.1 Ų136.177%0.76578%0.782SS**  trans-61.2176.2164.1-40.2-82.7000112.2
227D46.1Very low44Very low144 Ų144134 Ų13477%0.7778%0.776SS**  cis-152.6176.96.1-150.8-32000110.7
228S47.3Very low44.4Very low87 Ų87139.2 Ų139.261%0.60878%0.776SS**  trans-36.8143.3174.155.70000119.1
229I44.4Very low44.2Very low165 Ų165139.4 Ų139.485%0.84677%0.773SS**  -169148.4104.5-93157.6000110.5
230L48.1Very low43.9Very low164 Ų164137.3 Ų137.386%0.85977%0.771SS**  trans-89.5166.2-170.7-82.6168.3000113.9
231P48.5Very low44.1Very low97 Ų97140.5 Ų140.563%0.6378%0.778SS**  trans-103.3-172.4-156.541.8-38.6000114
232N42.3Very low44Very low154 Ų154140.1 Ų140.182%0.82478%0.776SS**  176.8164.2123.6-91.8-46.1000114.9
233S40.7Very low44.1Very low94 Ų94137.9 Ų137.966%0.65777%0.765SS**  trans70.999.6160.8-171.80000121.6
234S40.9Very low44.3Very low101 Ų101141.7 Ų141.771%0.70677%0.769SS**  23.3158.3116.241.90000124
235I46.5Very low44.4Very low157 Ų157137.1 Ų137.181%0.80576%0.763SS**  trans88.7109.3-179.6-51.9166.8000111.2
236S37.7Very low44.2Very low103 Ų103136.3 Ų136.372%0.7276%0.763SS**  cis98.3148.732.2-163.90000114.2
237T41.6Very low44.2Very low125 Ų125138.8 Ų138.877%0.76777%0.77SS**  trans68.9106.817854.30000120.4
238K44.8Very low44.2Very low188 Ų188136.1 Ų136.182%0.81777%0.768SS**  trans16.4129.4136.9-61.8176.7175.8179.90120.3
239N41.5Very low44Very low147 Ų147141.6 Ų141.679%0.78678%0.784SS**  -178.3113.8115.4-82.4-22.4000107
240V42.9Very low43.8Very low123 Ų123136.5 Ų136.575%0.74577%0.772SS**  51.59581.6-174.60000112.9
241F45.9Very low43.5Very low209 Ų209138.3 Ų138.392%0.91778%0.776SS**  trans-154.7119.5151.2-101.1-75.6000108.5
242D40.7Very low43Very low148 Ų148137.2 Ų137.279%0.79178%0.775SS**  trans-92.4140.2163.3-66.6-71.2000108.6
243D47.8Very low42.9Very low133 Ų133139.5 Ų139.571%0.71178%0.778SS**  trans-172.4135.9135.2-119-15.6000115.9
244K45.3Very low42.9Very low180 Ų180140.2 Ų140.278%0.78378%0.78SS**  trans55.8171.2151.7-49.1-53.8175.9-172.90121.3
245A44.6Very low42.6Very low89 Ų89144.8 Ų144.874%0.73679%0.787SS**  -174.6116.8-56.400000111.4
246S44.3Very low42.1Very low112 Ų112147 Ų14778%0.78379%0.794SS**  trans-178130.1155.745.40000107
247E45.8Very low42Very low195 Ų195147.4 Ų147.491%0.91180%0.797SS**  cis100.5148.444.5-82-167.516600113.5
248A46Very low41.9Very low88 Ų88146.8 Ų146.873%0.72780%0.798SS**  trans79.2106.3176.200000120
249E44.6Very low41.6Very low201 Ų201146.7 Ų146.794%0.93980%0.8SS**  46.2139.4128.6-55.4-178.1158.900121.9
250G39.9Very low41.4Very low58 Ų58145 Ų14560%0.59880%0.8SS**  cis173.4165.6-1.900000113.6
251H42Very low41.1Very low203 Ų203144.9 Ų144.994%0.9480%0.8SS**  trans66.6154.6177.4-45.8-80.1000118.1
252A37.7Very low40.7Very low73 Ų73140.4 Ų140.460%0.60379%0.794SS**  cis-166155.2-38.100000110.7
253F39Very low40.4Very low203 Ų203138.1 Ų138.189%0.8979%0.79SS**  trans70.8153.5168.7-67.3-70.9000118.2
254P41.2Very low40.2Very low109 Ų109137.5 Ų137.571%0.70879%0.791SS**  trans-134.1163.1-130.642.3-26.4000118
255K34.8Very low40.1Very low196 Ų196134.5 Ų134.585%0.85279%0.787SS**  trans20.2115.3150.3-69.5-176.8172.9-176.40118.4
256Q36.2Very low39.8Very low205 Ų205136.9 Ų136.996%0.95879%0.788SS**  -126.7139.1125.6-74.7-164.2-26.300109.7
257S35.7Very low39.5Very low111 Ų111139.3 Ų139.378%0.77679%0.786SS**  trans-118.5124.6179.550.70000109.1
258S39Very low39.3Very low112 Ų112136.2 Ų136.278%0.78378%0.78SS**  trans-121.982.3177.959.40000110.6S260S258-S260 PolarHBondContact O-N 3.04Å
259E39.3Very low39.3Very low186 Ų186138.7 Ų138.787%0.86978%0.779SS**  trans-66.8121.4158.6-71.1178.8107.800108.4
260S36.8Very low39.4Very low110 Ų110133.5 Ų133.577%0.76976%0.764SS**  trans-118.673.817643.20000110S258 S262S258-S260 PolarHBondContact O-N 3.04Å; S260-S262 PolarHBondContact O-N 3.21Å
261T36.9Very low40Very low122 Ų122138.7 Ų138.775%0.74878%0.779SS**  trans-62.7113.7173.6470000110.6S263T261-S263 PolarHBondContact O-N 3.02Å
262S36.1Very low40.6Very low114 Ų114132.4 Ų132.480%0.79776%0.757SS**  trans-77.980.1-178.249.30000112.8S260 V264S260-S262 PolarHBondContact O-N 3.21Å; S262-V264 PolarHBondContact O-N 3.11Å; S262-V264 VanDerWaalsContact O-N 3.1Å
263S36.2Very low41.4Very low101 Ų101135.9 Ų135.971%0.70676%0.761SS**  trans-74.693.216945.30000111.3T261 V265T261-S263 PolarHBondContact O-N 3.02Å; S263-V265 PolarHBondContact O-N 2.86Å
264V42.8Very low42.1Very low120 Ų120128.9 Ų128.973%0.72775%0.747SS**  trans-68100.4173.3-179.90000109.8S262S262-V264 PolarHBondContact O-N 3.11Å; S262-V264 VanDerWaalsContact O-N 3.1Å
265V43.6Very low43.4Very low117 Ų117126.6 Ų126.671%0.70973%0.733SS**  trans-92.1103.9172.2179.70000108.8S263 H267S263-V265 PolarHBondContact O-N 2.86Å; V265-H267 PolarHBondContact O-N 3.13Å
266N38.3Very low45.2Very low139 Ų139127.9 Ų127.974%0.74373%0.733SS**  trans-67.799.6177.1-71.9-26.8000110.7V268N266-V268 PolarHBondContact O-N 2.99Å
267H38.1Very low46.8Very low163 Ų163124 Ų12476%0.75571%0.712SS**  trans-81.296.5178.5-136.1-53.5000110.4V265 M269V265-H267 PolarHBondContact O-N 3.13Å; H267-M269 PolarHBondContact O-N 3.33Å; H267-M269 VanDerWaalsContact O-N 3.14Å
268V41.4Very low48.2Very low130 Ų130123.3 Ų123.379%0.78870%0.696SS**  trans-65.5112.1174.4178.10000109.2N266N266-V268 PolarHBondContact O-N 2.99Å
269M45.5Very low49.4Very low140 Ų140126 Ų12669%0.6970%0.695SS**  trans-74.7153.1169.2-70.1-87.191.400110.3H267H267-M269 PolarHBondContact O-N 3.33Å; H267-M269 VanDerWaalsContact O-N 3.14Å
270S47.4Very low50.6Low92 Ų92121.4 Ų121.464%0.64368%0.676SS**  trans-123.494.9-171.252.10000112.5S272S270-S272 PolarHBondContact O-N 2.87Å; S270-S272 PolarHBondContact O-OG 3.46Å
271D52.5Low51.8Low167 Ų167123.4 Ų123.489%0.89367%0.671SS**  trans-7248.6-167.5-52.9-43.4000115.5
272S54.7Low53.3Low71 Ų71124.4 Ų124.450%0.49767%0.668SS.*  trans-109.2-3.7-176.965.30000113.6S270 G274 K278S270-S272 PolarHBondContact O-N 2.87Å; S270-S272 PolarHBondContact O-OG 3.46Å; S272-G274 VanDerWaalsContact C-N 3.25Å; S272-G274 PolarHBondContact O-N 3Å; S272-K278 WeakPolarHBondContact O-CE 3.3Å; S272-K278 PolarHBondContact O-NZ 3.12Å
273Q54Low54.3Low145 Ų145128.1 Ų128.168%0.67867%0.669SS**SBendtrans-83.240-173.5-69.5-73.511.200114.4R43R43-Q273 PolarHBondContact NH2-O 2.97Å
274G53.4Low55.2Low57 Ų57130.4 Ų130.459%0.58867%0.674SS**SBendtrans-159.7-50.3177.900000116.5S272 R276S272-G274 VanDerWaalsContact C-N 3.25Å; S272-G274 PolarHBondContact O-N 3Å; G274-R276 PolarHBondContact O-N 3.02Å
275S69.7Low55.4Low60 Ų60133.6 Ų133.642%0.4268%0.681SS.*  trans-52.7133.4-170.1179.30000114F277 K278S275-F277 PolarHBondContact O-N 2.78Å; S275-F277 PolarHBondContact OG-N 3.33Å; S275-K278 VanDerWaalsContact O-CE 3.22Å; S275-K278 WeakPolarHBondContact O-CE 3.4Å; S275-K278 WeakPolarHBondContact O-CG 3.22Å
276R70.9Confident55.9Low224 Ų224135.6 Ų135.685%0.84569%0.686SS**THydrogen-bonded Turntrans-75.5-0.3175.2-137.7179.477.7-154.91113.5G274G274-R276 PolarHBondContact O-N 3.02Å
277F69.8Low56.2Low122 Ų122133.3 Ų133.354%0.53568%0.678SS.*THydrogen-bonded Turntrans-103.321.8-178.1-57.2-72.8000113.3S275 H279 L280 F281S275-F277 PolarHBondContact O-N 2.78Å; S275-F277 PolarHBondContact OG-N 3.33Å; F277-H279 PolarHBondContact O-N 2.83Å; F277-L280 HydrophobicContact CB-CD1 4.28Å; F277-L280 HydrophobicContact CD1-CD1 3.89Å; F277-L280 HydrophobicContact CG-CD1 4.47Å; F277-L280 PolarHBondContact O-N 3.01Å; F277-F281 HydrophobicContact CB-CD2 4.06Å; F277-F281 HydrophobicContact CB-CE2 3.96Å; F277-F281 PolarHBondContact O-N 3.27Å
278K65.1Low56.2Low98 Ų98132.1 Ų132.143%0.42668%0.678SS.*THydrogen-bonded Turntrans-51.7-35-175.9-46.6-156-176.2-1560113.3S272 S275 L280 F281 Q282S272-K278 WeakPolarHBondContact O-CE 3.3Å; S272-K278 PolarHBondContact O-NZ 3.12Å; S275-K278 VanDerWaalsContact O-CE 3.22Å; S275-K278 WeakPolarHBondContact O-CE 3.4Å; S275-K278 WeakPolarHBondContact O-CG 3.22Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 3.24Å; K278-F281 PolarHBondContact O-N 3.46Å; K278-Q282 PolarHBondContact O-N 3.26Å
279H65.3Low56.3Low167 Ų167132.7 Ų132.777%0.77367%0.672SS**THydrogen-bonded Turntrans-71.5-16.4178.5-50.4-59.8000114.8F277F277-H279 PolarHBondContact O-N 2.83Å
280L64.5Low56.3Low90 Ų90132.4 Ų132.447%0.47167%0.673SS.*THydrogen-bonded Turntrans-90.4-22.5174.4-63.8178.9000112.7F277 K278 N308F277-L280 HydrophobicContact CB-CD1 4.28Å; F277-L280 HydrophobicContact CD1-CD1 3.89Å; F277-L280 HydrophobicContact CG-CD1 4.47Å; F277-L280 PolarHBondContact O-N 3.01Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 3.24Å; L280-N308 PolarHBondContact O-ND2 3.37Å
281F62Low56.1Low152 Ų152137.5 Ų137.567%0.66768%0.684SS**SBendtrans-120.927.5-174.3-58.6-70.4000112.7F277 K278 K283F277-F281 HydrophobicContact CB-CD2 4.06Å; F277-F281 HydrophobicContact CB-CE2 3.96Å; F277-F281 PolarHBondContact O-N 3.27Å; K278-F281 PolarHBondContact O-N 3.46Å; F281-K283 VanDerWaalsContact C-N 3.29Å; F281-K283 PolarHBondContact O-N 2.94Å
282Q68.3Low55.4Low144 Ų144136.1 Ų136.167%0.67368%0.676SS**  trans-70.888.1176.1-170.4160.4-3.300109.2K278 N284K278-Q282 PolarHBondContact O-N 3.26Å; Q282-N284 PolarHBondContact O-N 3.45Å
283K56.3Low54.6Low191 Ų191138.1 Ų138.183%0.8369%0.687SS**  trans-56.1124.8171.8-72.8-178.6175.8179.20108.3F281 E285F281-K283 VanDerWaalsContact C-N 3.29Å; F281-K283 PolarHBondContact O-N 2.94Å; K283-E285 PolarHBondContact O-N 3.15Å
284N56.3Low53.5Low150 Ų150137.8 Ų137.880%0.80269%0.69SS**  trans-72.198171.3-69.2-27.3000108.2Q282 I286Q282-N284 PolarHBondContact O-N 3.45Å; N284-I286 PolarHBondContact O-N 2.75Å
285E47.1Very low52.5Low186 Ų186142.9 Ų142.987%0.86970%0.704SS**PPolyproline II helixtrans-62.4116.7165.7-69.4-179.3162.400108.1K283 P287K283-E285 PolarHBondContact O-N 3.15Å; E285-P287 WeakPolarHBondContact O-CD 3.48Å
286I52.5Low51Low159 Ų159144.8 Ų144.882%0.81572%0.723SS**PPolyproline II helixtrans-74.6121.4-179-59.2170.4000107.2N284N284-I286 PolarHBondContact O-N 2.75Å
287P44.9Very low49.5Very low91 Ų91144.4 Ų144.459%0.59172%0.723SS**PPolyproline II helixtrans-67.6139174.328.8-33.7000110.2E285 E289E285-P287 WeakPolarHBondContact O-CD 3.48Å; P287-E289 PolarHBondContact O-N 3.3Å
288D39.3Very low48.2Very low138 Ų138144.2 Ų144.274%0.73873%0.734SS**  trans-72.893.4-179.5-172.40.1000110.8N290D288-N290 PolarHBondContact O-N 3.32Å; D288-N290 PolarHBondContact OD1-ND2 2.72Å
289E43.8Very low46.8Very low143 Ų143146.9 Ų146.967%0.66875%0.753SS**  trans-70.859-177.8-81.6-75.4156.800113P287P287-E289 PolarHBondContact O-N 3.3Å
290N43.7Very low45.6Very low134 Ų134148 Ų14872%0.71776%0.755SS**  trans-11518.9177.9-88.2-66.7000114D288D288-N290 PolarHBondContact O-N 3.32Å; D288-N290 PolarHBondContact OD1-ND2 2.72Å
291K44.1Very low44.4Very low198 Ų198149.5 Ų149.586%0.86177%0.771SS**  trans-143.670.7173.4-74.8-166.3177.6176.20114.6P293K291-P293 WeakPolarHBondContact O-CD 3.45Å
292L37.5Very low43.2Very low139 Ų139146.1 Ų146.173%0.72877%0.771SS**  trans-80135.9164.2-90.6164.6000112.4
293P38.1Very low42.2Very low113 Ų113144.7 Ų144.773%0.73477%0.774SS**  trans-107.1143.7137.934.1-29.1000110.3K291K291-P293 WeakPolarHBondContact O-CD 3.45Å
294N31.5Very low41.6Very low138 Ų138143.8 Ų143.874%0.73878%0.778SS**  trans-70.3165.8-172.3-64.1-50.2000114.4
295N32.7Very low41.7Very low164 Ų164139.8 Ų139.888%0.87776%0.756SS**  trans88.669.2163.3-52.1-23.9000118.7
296A37.7Very low43Very low100 Ų100134.8 Ų134.883%0.82674%0.736SS**  trans-152149.8142.600000111.4
297Y39.3Very low44.2Very low215 Ų215131.1 Ų131.184%0.84372%0.717SS**  trans-62.5142.1-176.8-73.7-100.4000113N299Y297-N299 PolarHBondContact O-N 3.1Å
298P41.3Very low45.8Very low118 Ų118129.7 Ų129.777%0.76670%0.704SS**  trans-77.282.6179.232.7-35.7000111.5K300P298-K300 VanDerWaalsContact C-N 3.29Å; P298-K300 PolarHBondContact O-N 3.28Å
299N37.1Very low47.7Very low154 Ų154127.5 Ų127.582%0.82469%0.69SS**  trans-63.893.6160.2-82.2-27.7000108.4Y297Y297-N299 PolarHBondContact O-N 3.1Å
300K39.1Very low49.4Very low190 Ų190122 Ų12283%0.82666%0.664SS**PPolyproline II helixtrans-50.7128.4173.8-70.9-178177-179.90108.9P298 A302P298-K300 VanDerWaalsContact C-N 3.29Å; P298-K300 PolarHBondContact O-N 3.28Å; K300-A302 PolarHBondContact O-N 3.26Å
301P38.8Very low51.2Low122 Ų122117.5 Ų117.579%0.79264%0.64SS**PPolyproline II helixtrans-58.6130.316726.2-32.5000107.7
302A37.9Very low52.9Low82 Ų82112.2 Ų112.268%0.67862%0.62SS**PPolyproline II helixtrans-58.3139176.100000108.9K300 L304K300-A302 PolarHBondContact O-N 3.26Å; A302-L304 PolarHBondContact O-N 3.4Å
303P47.7Very low54.9Low114 Ų114112.7 Ų112.774%0.7461%0.612SS**  trans-65.599.1177.627.2-33.2000108.8D305P303-D305 PolarHBondContact O-N 2.9Å
304L43.3Very low56.9Low171 Ų171109.3 Ų109.390%0.89559%0.588SS**  trans-67.191.2162.2-81164.9000106.5A302 N306A302-L304 PolarHBondContact O-N 3.4Å; L304-N306 PolarHBondContact O-N 2.84Å
305D58.6Low59.1Low66 Ų66109.4 Ų109.435%0.35359%0.587SS.*  trans-61.886.4179.1-114.512.9000108.8P303 I307 Q310 R313P303-D305 PolarHBondContact O-N 2.9Å; D305-I307 PolarHBondContact O-N 3.13Å; D305-Q310 HydrophobicContact CB-CG 4.29Å; D305-Q310 PolarHBondContact OD2-NE2 3.5Å; D305-R313 IonicContact OD1-NH1 3.33Å; D305-R313 PolarHBondContact OD1-NH1 3.05Å
306N73.3Confident60.9Low82 Ų82109.4 Ų109.444%0.43958%0.58SS.*  trans-60.7132.8175-177-9.7000108.2L304 N308 E309 Q310L304-N306 PolarHBondContact O-N 2.84Å; N306-N308 PolarHBondContact O-N 3.25Å; N306-N308 VanDerWaalsContact O-N 3.12Å; N306-N308 PolarHBondContact OD1-N 2.81Å; N306-E309 HydrophobicContact CB-CB 4.29Å; N306-E309 HydrophobicContact CB-CG 4.12Å; N306-E309 WeakPolarHBondContact O-CA 3.38Å; N306-E309 WeakPolarHBondContact O-CB 3.46Å; N306-E309 PolarHBondContact O-N 3.45Å; N306-Q310 PolarHBondContact O-N 3.29Å
307I79.2Confident61.8Low82 Ų82106.5 Ų106.542%0.42156%0.56SS.*Hα-helixtrans-50.5-38174.5-71166.4000110.3D305 E309 Q310 L311 I343D305-I307 PolarHBondContact O-N 3.13Å; I307-E309 PolarHBondContact O-N 2.91Å; I307-Q310 PolarHBondContact O-N 3.24Å; I307-L311 HydrophobicContact CG2-CD1 3.8Å; I307-L311 HydrophobicContact CG2-CG 4.24Å; I307-L311 WeakPolarHBondContact O-CB 3.39Å; I307-L311 VanDerWaalsContact O-CG 3.25Å; I307-L311 WeakPolarHBondContact O-CG 3.25Å; I307-L311 PolarHBondContact O-N 3.1Å; I307-I343 HydrophobicContact CG2-CG2 3.86Å
308N77.4Confident62.5Low61 Ų6198.8 Ų98.833%0.32654%0.537SS..Hα-helixtrans-63.4-38.7176.1-63.3-3.4000112.9L280 N306 L312L280-N308 PolarHBondContact O-ND2 3.37Å; N306-N308 PolarHBondContact O-N 3.25Å; N306-N308 VanDerWaalsContact O-N 3.12Å; N306-N308 PolarHBondContact OD1-N 2.81Å; N308-L312 WeakPolarHBondContact O-CB 3.47Å; N308-L312 PolarHBondContact O-N 3.28Å
309E80.2Confident62.2Low92 Ų9299.2 Ų99.243%0.4354%0.541SS..Hα-helixtrans-71.4-38.4176.3-73.9-66.1144.200111.5N306 I307 R313N306-E309 HydrophobicContact CB-CB 4.29Å; N306-E309 HydrophobicContact CB-CG 4.12Å; N306-E309 WeakPolarHBondContact O-CA 3.38Å; N306-E309 WeakPolarHBondContact O-CB 3.46Å; N306-E309 PolarHBondContact O-N 3.45Å; I307-E309 PolarHBondContact O-N 2.91Å; E309-R313 VanDerWaalsContact O-CB 3.3Å; E309-R313 WeakPolarHBondContact O-CB 3.48Å; E309-R313 WeakPolarHBondContact O-CG 2.98Å; E309-R313 PolarHBondContact O-N 3.05Å
310Q79.1Confident62.2Low27 Ų2795.1 Ų95.113%0.12654%0.535CS..Hα-helixtrans-66.8-42.5175.3-67.2-172.7-22.800111.7D305 N306 I307 R313 L314 I343D305-Q310 HydrophobicContact CB-CG 4.29Å; D305-Q310 PolarHBondContact OD2-NE2 3.5Å; N306-Q310 PolarHBondContact O-N 3.29Å; I307-Q310 PolarHBondContact O-N 3.24Å; Q310-R313 PolarHBondContact O-N 3.48Å; Q310-L314 PolarHBondContact O-N 2.87Å; Q310-L314 VanDerWaalsContact O-N 3.13Å; Q310-I343 HydrophobicContact CB-CD1 3.9Å; Q310-I343 HydrophobicContact CB-CG1 4.33Å; Q310-I343 HydrophobicContact CB-CG2 4.46Å
311L81.4Confident62.3Low40 Ų4091.2 Ų91.221%0.20952%0.523CS..Hα-helixtrans-64.1-45.8173.3-71.3172.8000111.5I307 R313 L314 L315 L340 I343I307-L311 HydrophobicContact CG2-CD1 3.8Å; I307-L311 HydrophobicContact CG2-CG 4.24Å; I307-L311 WeakPolarHBondContact O-CB 3.39Å; I307-L311 VanDerWaalsContact O-CG 3.25Å; I307-L311 WeakPolarHBondContact O-CG 3.25Å; I307-L311 PolarHBondContact O-N 3.1Å; L311-R313 VanDerWaalsContact C-N 3.33Å; L311-R313 PolarHBondContact O-N 2.79Å; L311-L314 PolarHBondContact O-N 3.32Å; L311-L314 VanDerWaalsContact O-N 3.11Å; L311-L315 WeakPolarHBondContact O-CB 3.22Å; L311-L315 WeakPolarHBondContact O-CG 3.25Å; L311-L315 PolarHBondContact O-N 3.19Å; L311-L340 HydrophobicContact CD2-CD2 3.84Å; L311-I343 HydrophobicContact CD2-CG2 3.93Å; L311-I343 HydrophobicContact CG-CG2 3.98Å
312L79.8Confident62.2Low86 Ų8691.9 Ų91.945%0.4553%0.528SS..Hα-helixtrans-63.6-37.9178.8-17263.3000111.7N308 L314 L315 K316N308-L312 WeakPolarHBondContact O-CB 3.47Å; N308-L312 PolarHBondContact O-N 3.28Å; L312-L314 VanDerWaalsContact C-N 3.33Å; L312-L314 PolarHBondContact O-N 3.43Å; L312-L315 PolarHBondContact O-N 2.77Å; L312-K316 WeakPolarHBondContact O-CB 3.36Å; L312-K316 PolarHBondContact O-N 2.97Å
313R79.7Confident62.6Low150 Ų15093.1 Ų93.157%0.56653%0.531SS*.Hα-helixtrans-66.2-28.6172.9-75.6170.2-178.7166.93.2113.7D305 E309 Q310 L311D305-R313 IonicContact OD1-NH1 3.33Å; D305-R313 PolarHBondContact OD1-NH1 3.05Å; E309-R313 VanDerWaalsContact O-CB 3.3Å; E309-R313 WeakPolarHBondContact O-CB 3.48Å; E309-R313 WeakPolarHBondContact O-CG 2.98Å; E309-R313 PolarHBondContact O-N 3.05Å; Q310-R313 PolarHBondContact O-N 3.48Å; L311-R313 VanDerWaalsContact C-N 3.33Å; L311-R313 PolarHBondContact O-N 2.79Å
314L79.6Confident62.3Low42 Ų4290.4 Ų90.422%0.2252%0.515CS..Hα-helixtrans-75.2-49170.9-73.8-177.3000111.7Q310 L311 L312 K339 L340 I343Q310-L314 PolarHBondContact O-N 2.87Å; Q310-L314 VanDerWaalsContact O-N 3.13Å; L311-L314 PolarHBondContact O-N 3.32Å; L311-L314 VanDerWaalsContact O-N 3.11Å; L312-L314 VanDerWaalsContact C-N 3.33Å; L312-L314 PolarHBondContact O-N 3.43Å; L314-K339 HydrophobicContact CD1-CB 4.38Å; L314-K339 HydrophobicContact CD1-CG 4.21Å; L314-K339 HydrophobicContact CD2-CD 3.92Å; L314-K339 HydrophobicContact CD2-CG 4.22Å; L314-L340 HydrophobicContact CD1-CD2 3.67Å; L314-L340 HydrophobicContact CD1-CG 3.92Å; L314-I343 HydrophobicContact CD1-CD1 3.51Å; L314-I343 HydrophobicContact CG-CD1 4.28Å
315L77.6Confident62.2Low139 Ų13991.8 Ų91.873%0.72852%0.516SS*.Hα-helixtrans-68.7-37-174.7-69.7168.4000113.1L311 L312 G317L311-L315 WeakPolarHBondContact O-CB 3.22Å; L311-L315 WeakPolarHBondContact O-CG 3.25Å; L311-L315 PolarHBondContact O-N 3.19Å; L312-L315 PolarHBondContact O-N 2.77Å; L315-G317 VanDerWaalsContact C-N 3.3Å; L315-G317 PolarHBondContact O-N 2.9Å
316K71.1Confident61.4Low165 Ų16592.4 Ų92.472%0.71752%0.519SS*.THydrogen-bonded Turntrans-81.7-7.9-175.4-163.7166.3-176.5173.20113.8L312L312-K316 WeakPolarHBondContact O-CB 3.36Å; L312-K316 PolarHBondContact O-N 2.97Å
317G56.4Low59.7Low39 Ų3991.6 Ų91.640%0.40252%0.52SS..  trans71.1161.7-171.300000113.3L315 C319L315-G317 VanDerWaalsContact C-N 3.3Å; L315-G317 PolarHBondContact O-N 2.9Å; G317-C319 VanDerWaalsContact C-N 3.33Å; G317-C319 PolarHBondContact O-N 2.67Å
318S54Low58.2Low53 Ų5392 Ų9237%0.37153%0.528SS..SBendtrans-79.279.2-179.6-167.50000111.1L326S318-L326 WeakPolarHBondContact CB-O 3.42Å; S318-L326 PolarHBondContact OG-O 2.88Å
319C35.7Very low56.8Low127 Ų12797 Ų9786%0.85855%0.55SS*.  trans-116103.9175.3-1710000110.4G317G317-C319 VanDerWaalsContact C-N 3.33Å; G317-C319 PolarHBondContact O-N 2.67Å
320G36Very low55.6Low67 Ų67100.9 Ų100.969%0.69157%0.565SS**SBendtrans121.79.8163.500000119.2
321N40.9Very low54.6Low108 Ų108102.9 Ų102.958%0.57858%0.577SS**  trans-131.6107.7173.6-95.9-57.6000112.9S323 S324N321-S323 PolarHBondContact O-N 2.81Å; N321-S324 PolarHBondContact O-OG 3Å
322P38.3Very low54.1Low137 Ų137106.4 Ų106.489%0.8960%0.596SS**THydrogen-bonded Turntrans-77.95.8-178.733-36.5000114.4
323S45.8Very low54.1Low107 Ų107106.2 Ų106.275%0.74861%0.607SS**THydrogen-bonded Turntrans-105.9-7.8-176.554.40000114.3N321N321-S323 PolarHBondContact O-N 2.81Å
324S41.3Very low54.1Low57 Ų57104.7 Ų104.740%0.39961%0.609SS.*SBendtrans-105126.3172.153.90000110N321 L326N321-S324 PolarHBondContact O-OG 3Å; S324-L326 PolarHBondContact O-N 3.01Å
325H40.8Very low54.1Low200 Ų200107.6 Ų107.693%0.92662%0.622SS**  trans-73.924.9-167.8-144.1-70.1000115.2
326L41Very low54.4Low79 Ų79103.6 Ų103.641%0.41460%0.603SS.*  trans-104.782.1-173.6-62.4175.3000110.4S318 S324S318-L326 WeakPolarHBondContact CB-O 3.42Å; S318-L326 PolarHBondContact OG-O 2.88Å; S324-L326 PolarHBondContact O-N 3.01Å
327S37.5Very low55.1Low66 Ų6699.4 Ų99.446%0.46259%0.586SS.*  trans-61139.3159.8172.90000109.1E329 N331S327-E329 PolarHBondContact O-N 3.38Å; S327-E329 WeakPolarHBondContact OG-CB 3.46Å; S327-E329 PolarHBondContact OG-N 2.79Å; S327-N331 PolarHBondContact O-ND2 3.36Å
328P48.5Very low56.4Low90 Ų90101.9 Ų101.958%0.58459%0.59SS**G310 helixtrans-66.3-16.6175.927.8-34.9000113.2K330 N331P328-K330 PolarHBondContact O-N 2.66Å; P328-N331 PolarHBondContact O-ND2 3.17Å
329E47.6Very low57.7Low166 Ų166103.6 Ų103.678%0.77659%0.591SS**G310 helixtrans-81.3-7.7-159.2-156.7171.6-144.200116.1S327S327-E329 PolarHBondContact O-N 3.38Å; S327-E329 WeakPolarHBondContact OG-CB 3.46Å; S327-E329 PolarHBondContact OG-N 2.79Å
330K55.2Low60.1Low174 Ų174100.1 Ų100.176%0.75756%0.563SS**G310 helixtrans-134.812.1-176.7-67.8-168.9177.5-175.80115.6P328 N332P328-K330 PolarHBondContact O-N 2.66Å; K330-N332 PolarHBondContact O-N 2.82Å
331N57.8Low62.4Low68 Ų68103.7 Ų103.736%0.36456%0.556SS.*  trans-77.791.7178.4-58.8-71.4000110.3S327 P328 V336S327-N331 PolarHBondContact O-ND2 3.36Å; P328-N331 PolarHBondContact O-ND2 3.17Å; N331-V336 HydrophobicContact CB-CG2 4.04Å
332N71.6Confident64.4Low115 Ų115101 Ų10162%0.61555%0.545SS*.  trans-52.4144.2170-75.9-21.4000110K330 L334 Q335 V336K330-N332 PolarHBondContact O-N 2.82Å; N332-L334 PolarHBondContact O-N 2.97Å; N332-Q335 WeakPolarHBondContact O-CB 3.27Å; N332-Q335 PolarHBondContact O-N 2.9Å; N332-V336 PolarHBondContact O-N 3.14Å
333A79.3Confident66.5Low82 Ų8295 Ų9568%0.67851%0.505SS*.Hα-helixtrans-50.8-40-175.500000113.1Q335 V336 E337A333-Q335 VanDerWaalsContact C-N 3.27Å; A333-Q335 PolarHBondContact O-N 3.43Å; A333-V336 PolarHBondContact O-N 3.29Å; A333-V336 VanDerWaalsContact O-N 3.13Å; A333-E337 WeakPolarHBondContact O-CB 3.26Å; A333-E337 PolarHBondContact O-N 3.18Å
334L80.4Confident68.3Low117 Ų11796 Ų9661%0.61350%0.502SS*.Hα-helixtrans-57-31.2174.6-66.6169.2000114.3N332 N338N332-L334 PolarHBondContact O-N 2.97Å; L334-N338 WeakPolarHBondContact O-CB 3.37Å; L334-N338 PolarHBondContact O-N 2.89Å; L334-N338 PolarHBondContact O-ND2 3.46Å
335Q79.3Confident70.4Confident104 Ų10499.2 Ų99.249%0.48651%0.514SS..Hα-helixtrans-75.1-39.6176.5-66.3179.9-14.700111.5N332 A333 K339N332-Q335 WeakPolarHBondContact O-CB 3.27Å; N332-Q335 PolarHBondContact O-N 2.9Å; A333-Q335 VanDerWaalsContact C-N 3.27Å; A333-Q335 PolarHBondContact O-N 3.43Å; Q335-K339 VanDerWaalsContact O-CB 3.28Å; Q335-K339 WeakPolarHBondContact O-CB 3.49Å; Q335-K339 PolarHBondContact O-N 3.09Å
336V84.7Confident72.1Confident55 Ų5592.4 Ų92.433%0.33350%0.498SS..Hα-helixtrans-65.7-45.4173.6-176.40000109.6N331 N332 A333 K339 L340N331-V336 HydrophobicContact CB-CG2 4.04Å; N332-V336 PolarHBondContact O-N 3.14Å; A333-V336 PolarHBondContact O-N 3.29Å; A333-V336 VanDerWaalsContact O-N 3.13Å; V336-K339 PolarHBondContact O-N 2.89Å; V336-L340 HydrophobicContact CG1-CD1 4.16Å; V336-L340 WeakPolarHBondContact O-CG 3.32Å; V336-L340 PolarHBondContact O-N 2.88Å
337E84.1Confident73.4Confident76 Ų7694.2 Ų94.236%0.35550%0.504SS..Hα-helixtrans-61.1-49.5177.1-165-161.6156.400112.1A333 K339 L340 R341A333-E337 WeakPolarHBondContact O-CB 3.26Å; A333-E337 PolarHBondContact O-N 3.18Å; E337-K339 VanDerWaalsContact C-N 3.26Å; E337-K339 PolarHBondContact O-N 3.35Å; E337-L340 PolarHBondContact O-N 2.78Å; E337-R341 WeakPolarHBondContact O-CB 3.42Å; E337-R341 VanDerWaalsContact O-CG 3.32Å; E337-R341 WeakPolarHBondContact O-CG 3.36Å; E337-R341 PolarHBondContact O-N 3.16Å; E337-R341 IonicContact OE1-CZ 3.14Å; E337-R341 IonicContact OE1-NE 2.65Å; E337-R341 PolarHBondContact OE1-NE 3.16Å; E337-R341 IonicContact OE1-NH2 2.66Å; E337-R341 PolarHBondContact OE1-NH2 2.83Å
338N83.6Confident74.4Confident92 Ų9293.2 Ų93.249%0.49250%0.504SS..Hα-helixtrans-60.4-37.4176.9-78.7-25.5000112L334 R341 S342L334-N338 WeakPolarHBondContact O-CB 3.37Å; L334-N338 PolarHBondContact O-N 2.89Å; L334-N338 PolarHBondContact O-ND2 3.46Å; N338-R341 WeakPolarHBondContact O-CB 3.47Å; N338-R341 PolarHBondContact O-N 2.96Å; N338-S342 PolarHBondContact O-N 3.34Å; N338-S342 PolarHBondContact O-OG 3.03Å; N338-S342 VanDerWaalsContact O-OG 3.14Å
339K81.5Confident74.7Confident89 Ų8992.3 Ų92.339%0.38750%0.498SS..Hα-helixtrans-73.1-35.2178.4-162.5163.3170.7-177.50112.5L314 Q335 V336 E337 S342 I343L314-K339 HydrophobicContact CD1-CB 4.38Å; L314-K339 HydrophobicContact CD1-CG 4.21Å; L314-K339 HydrophobicContact CD2-CD 3.92Å; L314-K339 HydrophobicContact CD2-CG 4.22Å; Q335-K339 VanDerWaalsContact O-CB 3.28Å; Q335-K339 WeakPolarHBondContact O-CB 3.49Å; Q335-K339 PolarHBondContact O-N 3.09Å; V336-K339 PolarHBondContact O-N 2.89Å; E337-K339 VanDerWaalsContact C-N 3.26Å; E337-K339 PolarHBondContact O-N 3.35Å; K339-S342 PolarHBondContact O-N 3.29Å; K339-I343 HydrophobicContact CG-CD1 4.38Å; K339-I343 WeakPolarHBondContact O-CD1 3.26Å; K339-I343 VanDerWaalsContact O-CG1 3.26Å; K339-I343 WeakPolarHBondContact O-CG1 3.39Å; K339-I343 PolarHBondContact O-N 3.26Å; K339-I343 VanDerWaalsContact O-N 3.1Å
340L86Confident74.8Confident54 Ų5490.6 Ų90.628%0.28350%0.499SS..Hα-helixtrans-62.2-46.8167.6-73.4168.1000111.1L311 L314 V336 E337 S342 I343 L344L311-L340 HydrophobicContact CD2-CD2 3.84Å; L314-L340 HydrophobicContact CD1-CD2 3.67Å; L314-L340 HydrophobicContact CD1-CG 3.92Å; V336-L340 HydrophobicContact CG1-CD1 4.16Å; V336-L340 WeakPolarHBondContact O-CG 3.32Å; V336-L340 PolarHBondContact O-N 2.88Å; E337-L340 PolarHBondContact O-N 2.78Å; L340-S342 PolarHBondContact O-N 2.77Å; L340-I343 PolarHBondContact O-N 3.29Å; L340-L344 WeakPolarHBondContact O-CB 2.97Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.49Å; L340-L344 PolarHBondContact O-N 3.12Å
341R86Confident74.5Confident141 Ų14191.6 Ų91.653%0.53250%0.499SS..Hα-helixtrans-56.1-47.6175.1-72.6170.6176.2-122.77.8111.2E337 N338 L344 L345E337-R341 WeakPolarHBondContact O-CB 3.42Å; E337-R341 VanDerWaalsContact O-CG 3.32Å; E337-R341 WeakPolarHBondContact O-CG 3.36Å; E337-R341 PolarHBondContact O-N 3.16Å; E337-R341 IonicContact OE1-CZ 3.14Å; E337-R341 IonicContact OE1-NE 2.65Å; E337-R341 PolarHBondContact OE1-NE 3.16Å; E337-R341 IonicContact OE1-NH2 2.66Å; E337-R341 PolarHBondContact OE1-NH2 2.83Å; N338-R341 WeakPolarHBondContact O-CB 3.47Å; N338-R341 PolarHBondContact O-N 2.96Å; R341-L344 PolarHBondContact O-N 2.72Å; R341-L345 VanDerWaalsContact O-CB 3.3Å; R341-L345 WeakPolarHBondContact O-CB 3.37Å; R341-L345 WeakPolarHBondContact O-CD1 3.21Å; R341-L345 WeakPolarHBondContact O-CG 3.28Å; R341-L345 PolarHBondContact O-N 3.07Å
342S81.7Confident73.8Confident51 Ų5194 Ų9436%0.35752%0.519SS..Hα-helixtrans-58.6-48.9176.7-62.80000112.6N338 K339 L340 L345 G346 H347N338-S342 PolarHBondContact O-N 3.34Å; N338-S342 PolarHBondContact O-OG 3.03Å; N338-S342 VanDerWaalsContact O-OG 3.14Å; K339-S342 PolarHBondContact O-N 3.29Å; L340-S342 PolarHBondContact O-N 2.77Å; S342-L345 PolarHBondContact O-N 3.44Å; S342-G346 PolarHBondContact O-N 2.98Å; S342-H347 CarbonylContact C-O 3.56Å; S342-H347 PolarHBondContact O-N 2.72Å
343I83.5Confident72.2Confident11 Ų1196.1 Ų96.16%0.05653%0.529CS..Hα-helixtrans-63.8-44.2-179.1-66.8162.9000111.1I307 Q310 L311 L314 K339 L340 L345 G346I307-I343 HydrophobicContact CG2-CG2 3.86Å; Q310-I343 HydrophobicContact CB-CD1 3.9Å; Q310-I343 HydrophobicContact CB-CG1 4.33Å; Q310-I343 HydrophobicContact CB-CG2 4.46Å; L311-I343 HydrophobicContact CD2-CG2 3.93Å; L311-I343 HydrophobicContact CG-CG2 3.98Å; L314-I343 HydrophobicContact CD1-CD1 3.51Å; L314-I343 HydrophobicContact CG-CD1 4.28Å; K339-I343 HydrophobicContact CG-CD1 4.38Å; K339-I343 WeakPolarHBondContact O-CD1 3.26Å; K339-I343 VanDerWaalsContact O-CG1 3.26Å; K339-I343 WeakPolarHBondContact O-CG1 3.39Å; K339-I343 PolarHBondContact O-N 3.26Å; K339-I343 VanDerWaalsContact O-N 3.1Å; L340-I343 PolarHBondContact O-N 3.29Å; I343-L345 VanDerWaalsContact C-N 3.3Å; I343-L345 PolarHBondContact O-N 3.08Å; I343-G346 PolarHBondContact O-N 2.85Å; I343-G346 VanDerWaalsContact O-N 3.09Å
344L83.5Confident70Confident129 Ų12999.8 Ų99.868%0.67554%0.537SS*.Hα-helixtrans-67.4-28.9178.4-69.5170.4000113.1L340 R341 G346L340-L344 WeakPolarHBondContact O-CB 2.97Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.49Å; L340-L344 PolarHBondContact O-N 3.12Å; R341-L344 PolarHBondContact O-N 2.72Å; L344-G346 VanDerWaalsContact C-N 3.29Å
345L84.1Confident68Low124 Ų12499.5 Ų99.565%0.64954%0.54SS*.THydrogen-bonded Turntrans-82.5-2.3173-69.7169.1000113.3R341 S342 I343 H347R341-L345 VanDerWaalsContact O-CB 3.3Å; R341-L345 WeakPolarHBondContact O-CB 3.37Å; R341-L345 WeakPolarHBondContact O-CD1 3.21Å; R341-L345 WeakPolarHBondContact O-CG 3.28Å; R341-L345 PolarHBondContact O-N 3.07Å; S342-L345 PolarHBondContact O-N 3.44Å; I343-L345 VanDerWaalsContact C-N 3.3Å; I343-L345 PolarHBondContact O-N 3.08Å; L345-H347 PolarHBondContact O-N 3.2Å
346G77.5Confident65.9Low57 Ų5796.8 Ų96.859%0.58854%0.54SS*.THydrogen-bonded Turntrans71.611.3-175.400000114.3S342 I343 L344 G348S342-G346 PolarHBondContact O-N 2.98Å; I343-G346 PolarHBondContact O-N 2.85Å; I343-G346 VanDerWaalsContact O-N 3.09Å; L344-G346 VanDerWaalsContact C-N 3.29Å; G346-G348 PolarHBondContact O-N 3Å; G346-G348 VanDerWaalsContact O-N 3.16Å
347H67.9Low63.6Low118 Ų118100.9 Ų100.955%0.54657%0.568SS.*  trans-75.9101.5170.8-68.3-57.8000109S342 L345S342-H347 CarbonylContact C-O 3.56Å; S342-H347 PolarHBondContact O-N 2.72Å; L345-H347 PolarHBondContact O-N 3.2Å
348G58.5Low61.5Low45 Ų45103.3 Ų103.346%0.46459%0.588SS.*  trans-56.1164.6173.300000112.8G346 V350G346-G348 PolarHBondContact O-N 3Å; G346-G348 VanDerWaalsContact O-N 3.16Å; G348-V350 PolarHBondContact O-N 2.97Å
349P55.1Low59.7Low70 Ų70108 Ų10846%0.45560%0.604SS.*  trans-61.9103.3-16824.3-34.4000112.1Y351P349-Y351 HydrophobicContact CB-CE2 4.45Å; P349-Y351 HydrophobicContact CG-CE2 4.36Å; P349-Y351 WeakPolarHBondContact O-CD2 3.35Å; P349-Y351 PolarHBondContact O-N 3.01Å
350V49.9Very low57.6Low131 Ų131113.5 Ų113.579%0.79463%0.63SS**  trans-68.999.6165.7-178.50000107.1G348G348-V350 PolarHBondContact O-N 2.97Å
351Y47.9Very low55.6Low194 Ų194116 Ų11676%0.76165%0.653SS**PPolyproline II helixtrans-62.4124.9169.2-72.4-93.5000108.3P349 L353P349-Y351 HydrophobicContact CB-CE2 4.45Å; P349-Y351 HydrophobicContact CG-CE2 4.36Å; P349-Y351 WeakPolarHBondContact O-CD2 3.35Å; P349-Y351 PolarHBondContact O-N 3.01Å; Y351-L353 PolarHBondContact O-N 3.46Å
352P43.5Very low53.9Low119 Ų119118.6 Ų118.677%0.77367%0.668SS**PPolyproline II helixtrans-60.7129.3168.326.7-32.5000107.9N354P352-N354 PolarHBondContact O-N 3.26Å
353L38.3Very low52.5Low159 Ų159122 Ų12283%0.83269%0.689SS**PPolyproline II helixtrans-59.7127.4179.1-167.772.5000108.5Y351 V355Y351-L353 PolarHBondContact O-N 3.46Å; L353-V355 PolarHBondContact O-N 3.41Å
354N32.7Very low51.7Low159 Ų159125.4 Ų125.485%0.8572%0.719SS**  trans-75.272.5-169.8-17117.9000112.1P352P352-N354 PolarHBondContact O-N 3.26Å
355V38.6Very low51Low112 Ų112126 Ų12668%0.67973%0.728SS**  trans-75.4131.5167.2-1760000108L353L353-V355 PolarHBondContact O-N 3.41Å
356G35.1Very low50.7Low46 Ų46123.3 Ų123.347%0.47471%0.713SS.*  trans-64176.1-17400000114.7V358G356-V358 VanDerWaalsContact C-N 3.33Å; G356-V358 PolarHBondContact O-N 3.49Å
357P36.2Very low51Low142 Ų142123.9 Ų123.992%0.92271%0.705SS**  trans-70.181.7-169.929.7-36.8000113.1
358V40.6Very low51.5Low127 Ų127123.2 Ų123.277%0.7771%0.71SS**  trans-77.8137.2164-176.60000108.3G356G356-V358 VanDerWaalsContact C-N 3.33Å; G356-V358 PolarHBondContact O-N 3.49Å
359K46.3Very low52.5Low191 Ų191128.4 Ų128.483%0.8372%0.722SS**  trans-59.2146.6-167.6-64.1173.3-179.21740112.7S361K359-S361 PolarHBondContact O-N 3.31Å
360E36.6Very low53.7Low203 Ų203129.3 Ų129.395%0.94972%0.72SS**  trans-57.595.3176.8-63.2-178.9146.300112.2
361S43.8Very low55.3Low108 Ų108126.8 Ų126.876%0.75570%0.701SS**  trans-94.5146.4155.656.10000108.9K359K359-S361 PolarHBondContact O-N 3.31Å
362K49.7Very low56.8Low194 Ų194121.8 Ų121.884%0.84369%0.685SS**  trans-59.8141.5-179.5-65172.9-178.6174.80109.5A364K362-A364 PolarHBondContact O-N 3.19Å
363P53.6Low58.4Low123 Ų123119 Ų11980%0.79967%0.672SS**  trans-60.1111.3176.325.4-33.5000109.2V365P363-V365 PolarHBondContact O-N 2.82Å
364A65.7Low60.1Low83 Ų83117 Ų11769%0.68666%0.658SS**  trans-64.8122.2171.600000107.8K362 L366K362-A364 PolarHBondContact O-N 3.19Å; A364-L366 VanDerWaalsContact C-N 3.33Å; A364-L366 PolarHBondContact O-N 3.38Å
365V70.5Confident61.9Low142 Ų142116.2 Ų116.286%0.86165%0.653SS**  trans-74.794.1173.3-179.90000106.7P363 T367P363-V365 PolarHBondContact O-N 2.82Å; V365-T367 PolarHBondContact O-N 3.26Å
366L76.4Confident63.1Low66 Ų66117.4 Ų117.435%0.34665%0.649SS.*  trans-51.5133.1175.8-55.5175.2000109A364 E370 I371A364-L366 VanDerWaalsContact C-N 3.33Å; A364-L366 PolarHBondContact O-N 3.38Å; L366-E370 WeakPolarHBondContact CA-OE2 3.37Å; L366-E370 HydrophobicContact CB-CB 4.4Å; L366-E370 HydrophobicContact CB-CG 4.39Å; L366-E370 VanDerWaalsContact CD2-CD 3.43Å; L366-E370 HydrophobicContact CD2-CG 4.18Å; L366-E370 WeakPolarHBondContact CD2-OE2 3.49Å; L366-I371 HydrophobicContact CB-CD1 4.33Å; L366-I371 HydrophobicContact CB-CG1 3.91Å; L366-I371 HydrophobicContact CD1-CG1 4.44Å
367T83.4Confident63.9Low69 Ų69120.3 Ų120.342%0.42366%0.657SS.*  trans-70.3161.7178.670.90000110.3V365 E369 E370 I371V365-T367 PolarHBondContact O-N 3.26Å; T367-E369 PolarHBondContact O-N 3.31Å; T367-E370 PolarHBondContact N-OE2 3.47Å; T367-E370 WeakPolarHBondContact O-CB 3.19Å; T367-E370 PolarHBondContact O-N 2.99Å; T367-E370 PolarHBondContact OG1-N 3.45Å; T367-I371 WeakPolarHBondContact O-CG1 3.5Å; T367-I371 PolarHBondContact O-N 3.47Å
368V79Confident64.3Low105 Ų105118.8 Ų118.864%0.63665%0.647SS**Hα-helixtrans-56.3-36.1174.4-179.60000110.7E372V368-E372 WeakPolarHBondContact O-CB 3.3Å; V368-E372 WeakPolarHBondContact O-CG 3.45Å; V368-E372 PolarHBondContact O-N 2.98Å
369E80Confident64.5Low154 Ų154122.9 Ų122.972%0.7266%0.658SS**Hα-helixtrans-66.9-36.2177.5-62.6154.9150.800112.1T367 A373T367-E369 PolarHBondContact O-N 3.31Å; E369-A373 WeakPolarHBondContact O-CB 3.47Å; E369-A373 PolarHBondContact O-N 3.05Å
370E80.9Confident64.1Low88 Ų88116.4 Ų116.441%0.41165%0.646SS.*Hα-helixtrans-73.9-39.5177.6-169.6172.1-164.300112.1L366 T367 A373 Q374L366-E370 WeakPolarHBondContact CA-OE2 3.37Å; L366-E370 HydrophobicContact CB-CB 4.4Å; L366-E370 HydrophobicContact CB-CG 4.39Å; L366-E370 VanDerWaalsContact CD2-CD 3.43Å; L366-E370 HydrophobicContact CD2-CG 4.18Å; L366-E370 WeakPolarHBondContact CD2-OE2 3.49Å; T367-E370 PolarHBondContact N-OE2 3.47Å; T367-E370 WeakPolarHBondContact O-CB 3.19Å; T367-E370 PolarHBondContact O-N 2.99Å; T367-E370 PolarHBondContact OG1-N 3.45Å; E370-A373 PolarHBondContact O-N 3.16Å; E370-Q374 WeakPolarHBondContact O-CG 3.34Å; E370-Q374 PolarHBondContact O-N 3.29Å
371I82.3Confident63.9Low78 Ų78114.4 Ų114.440%0.464%0.642SS.*Hα-helixtrans-64.8-42.5171.3-63.3167.6000110.2L366 T367 Q374 L375L366-I371 HydrophobicContact CB-CD1 4.33Å; L366-I371 HydrophobicContact CB-CG1 3.91Å; L366-I371 HydrophobicContact CD1-CG1 4.44Å; T367-I371 WeakPolarHBondContact O-CG1 3.5Å; T367-I371 PolarHBondContact O-N 3.47Å; I371-Q374 PolarHBondContact O-N 3.3Å; I371-L375 HydrophobicContact CG2-CD1 4.12Å; I371-L375 WeakPolarHBondContact O-CG 3.41Å; I371-L375 PolarHBondContact O-N 2.82Å; I371-L375 VanDerWaalsContact O-N 3.09Å
372E79.4Confident63.4Low90 Ų90117.7 Ų117.742%0.42165%0.65SS.*Hα-helixtrans-63.5-40.6173.8-81.1-168.8-143.700112.1V368 Q374 L375 K376V368-E372 WeakPolarHBondContact O-CB 3.3Å; V368-E372 WeakPolarHBondContact O-CG 3.45Å; V368-E372 PolarHBondContact O-N 2.98Å; E372-Q374 PolarHBondContact O-N 2.9Å; E372-L375 CarbonylContact O-C 3.52Å; E372-L375 PolarHBondContact O-N 3.41Å; E372-K376 HydrophobicContact CB-CD 4.34Å; E372-K376 WeakPolarHBondContact O-CB 3.35Å; E372-K376 WeakPolarHBondContact O-CD 3.09Å; E372-K376 PolarHBondContact O-N 2.83Å; E372-K376 IonicContact OE2-NZ 2.6Å; E372-K376 PolarHBondContact OE2-NZ 2.96Å
373A77.6Confident62.7Low60 Ų60113.4 Ų113.450%0.49664%0.64SS.*Hα-helixtrans-61-44.617700000111.8E369 E370 L375 K376E369-A373 WeakPolarHBondContact O-CB 3.47Å; E369-A373 PolarHBondContact O-N 3.05Å; E370-A373 PolarHBondContact O-N 3.16Å; A373-L375 VanDerWaalsContact C-N 3.28Å; A373-L375 PolarHBondContact O-N 2.91Å; A373-K376 PolarHBondContact O-N 3Å; A373-K376 VanDerWaalsContact O-N 3.16Å
374Q74Confident61.9Low117 Ų117114.6 Ų114.655%0.54764%0.639SS.*Hα-helixtrans-62.6-34.2175.3-68.5173.527.800112.3E370 I371 E372E370-Q374 WeakPolarHBondContact O-CG 3.34Å; E370-Q374 PolarHBondContact O-N 3.29Å; I371-Q374 PolarHBondContact O-N 3.3Å; E372-Q374 PolarHBondContact O-N 2.9Å
375L69.6Low60.7Low143 Ų143118.8 Ų118.875%0.74965%0.65SS**Hα-helixtrans-81.7-14175.6-71.2169.7000114.5I371 E372 A373I371-L375 HydrophobicContact CG2-CD1 4.12Å; I371-L375 WeakPolarHBondContact O-CG 3.41Å; I371-L375 PolarHBondContact O-N 2.82Å; I371-L375 VanDerWaalsContact O-N 3.09Å; E372-L375 CarbonylContact O-C 3.52Å; E372-L375 PolarHBondContact O-N 3.41Å; A373-L375 VanDerWaalsContact C-N 3.28Å; A373-L375 PolarHBondContact O-N 2.91Å
376K64.5Low59Low137 Ų137119.1 Ų119.160%0.59665%0.646SS**Hα-helixtrans-87.1-8.5176.7-99.687.3175.3-179.50113.9E372 A373 P378E372-K376 HydrophobicContact CB-CD 4.34Å; E372-K376 WeakPolarHBondContact O-CB 3.35Å; E372-K376 WeakPolarHBondContact O-CD 3.09Å; E372-K376 PolarHBondContact O-N 2.83Å; E372-K376 IonicContact OE2-NZ 2.6Å; E372-K376 PolarHBondContact OE2-NZ 2.96Å; A373-K376 PolarHBondContact O-N 3Å; A373-K376 VanDerWaalsContact O-N 3.16Å; K376-P378 VanDerWaalsContact O-CD 3.31Å; K376-P378 WeakPolarHBondContact O-CD 3.45Å
377V52.1Low57.4Low107 Ų107124.9 Ų124.965%0.64867%0.671SS**  trans-65.2119.8-179-176.40000110.4
378P45Very low55.1Low109 Ų109126.5 Ų126.571%0.70869%0.686SS**  trans-66.8140174.8-1832000111K376 G380K376-P378 VanDerWaalsContact O-CD 3.31Å; K376-P378 WeakPolarHBondContact O-CD 3.45Å; P378-G380 VanDerWaalsContact C-N 3.29Å; P378-G380 PolarHBondContact O-N 3.41Å
379Q44.9Very low53.6Low214 Ų214129.1 Ų129.1100%170%0.695SS**  trans-7286.1166.9-71-177.3-2600109.4
380G36.5Very low51.9Low55 Ų55128.5 Ų128.557%0.56770%0.696SS**  trans-123.8116.6178.200000112P378 L382P378-G380 VanDerWaalsContact C-N 3.29Å; P378-G380 PolarHBondContact O-N 3.41Å; G380-L382 PolarHBondContact O-N 3.4Å
381D32.4Very low50Low161 Ų161129.8 Ų129.886%0.86171%0.712SS**  trans17.487.6161.8-58.9-28.9000118.6
382L34.7Very low48.2Very low177 Ų177133.8 Ų133.893%0.92773%0.732SS**  trans-94.989.9157.4-80.6170000110.2G380G380-L382 PolarHBondContact O-N 3.4Å
383T34.4Very low46.1Very low104 Ų104136.9 Ų136.964%0.63875%0.752SS**  trans-119.213016160.60000109.3
384N36.2Very low44.3Very low147 Ų147139.5 Ų139.579%0.78677%0.767SS**  trans63.9116.2-179.6-35.9-75.3000112.8
385L40.5Very low42.7Very low172 Ų172141.2 Ų141.290%0.90178%0.779SS**  -160.3158.564.3-91158.5000111.9
386N36Very low41.3Very low148 Ų148139.8 Ų139.879%0.79178%0.776SS**  trans-96.9175.8169.2-82-21.7000110.9
387E43.1Very low40.2Very low187 Ų187141.3 Ų141.387%0.87479%0.785SS**  trans69.9100.8162.8-69.6175.6127.100117.5
388S34.5Very low39.7Very low103 Ų103140.4 Ų140.472%0.7278%0.784SS**  trans-78.6140.915354.70000111.2
389I47.9Very low39.6Very low161 Ų161143 Ų14383%0.82679%0.792SS**  trans-148130.5148.4-93.8140.5000106.4
390D43.1Very low39.7Very low140 Ų140138 Ų13875%0.74978%0.777SS**  trans-86.3-166.3-178.6-52.2-68.3000111.5
391P42.4Very low40.1Very low115 Ų115144.9 Ų144.975%0.74779%0.792SS**  -121.9-172-108.237-17.5000112.7
392I43.2Very low40.8Very low162 Ų162143.8 Ų143.883%0.83179%0.785SS**  trans-179.5146139.3-96.9152.9000110.4
393D35.9Very low41.3Very low156 Ų156142.9 Ų142.983%0.83478%0.781SS**  trans-72.6138.8177.7-56.5-85.1000114.2
394S40.6Very low41.7Very low115 Ų115144.3 Ų144.380%0.80479%0.785SS**  trans-160.1103.1145.950.90000114.5
395L39.2Very low42.1Very low152 Ų152145.2 Ų145.280%0.79678%0.784SS**  trans21.5112.6145.1-95.962.8000121.2
396T39.9Very low42.2Very low114 Ų114140.4 Ų140.470%0.69977%0.769SS**  73.8155.2124.560.50000123.2
397H42.9Very low42.8Very low168 Ų168139.6 Ų139.678%0.77876%0.763SS**  trans87.375.5157.9-73.5-64.3000121.4
398S40.4Very low42.8Very low89 Ų89139.4 Ų139.462%0.62276%0.76SS**  67.2110.8113.660.20000121.9
399D42.2Very low43.4Very low164 Ų164140 Ų14088%0.87776%0.763SS**  trans78.5152.4131.5-76.92.4000122.2
400P49Very low43Very low107 Ų107144.4 Ų144.470%0.69577%0.77SS**  trans-119.3169.2-15041.9-30.7000114.2
401F44.8Very low42.8Very low201 Ų201141.5 Ų141.588%0.88277%0.773SS**  trans-147.5149.4151-120.2-82.2000114.4
402I46.8Very low42.8Very low138 Ų138143.8 Ų143.871%0.70878%0.777SS**  trans-65.3147.6174.7-65.5148.3000108.7
403D44.6Very low42.9Very low157 Ų157141.4 Ų141.484%0.8477%0.772SS**  -166.3-179.879.1-148.2-4.9000115.9
404D43Very low43Very low135 Ų135142 Ų14272%0.72277%0.774SS**  trans-96.4179.2-156.6-162.53.4000115.3
405Q43.7Very low43Very low166 Ų166139.9 Ų139.978%0.77677%0.77SS**  trans75.9148.9163.2-59.9-153.66000118.8
406A42.4Very low43Very low70 Ų70138.3 Ų138.358%0.57977%0.772SS**  cis-167.4163.4-14.200000113.7
407I49Very low42.9Very low131 Ų131137.9 Ų137.967%0.67277%0.773SS**  trans69.7108.1145.8-73.3162000120.4
408K43.9Very low42.9Very low184 Ų184138.4 Ų138.480%0.877%0.773SS**  trans39.4127.1130.6-43.5165.6-163.3162.70119.4
409S46.3Very low42.7Very low114 Ų114141.2 Ų141.280%0.79778%0.781SS**  -179.3146.2100.248.30000116.9
410R40.1Very low42.3Very low255 Ų255139 Ų13996%0.96278%0.778SS**  trans23.1137.4147.2-67.6174.3164.8161.2-6.3122
411G39.4Very low41.5Very low79 Ų79139 Ų13981%0.81478%0.78SS**  trans15699.113400000117.6
412I41.1Very low41Very low162 Ų162137.2 Ų137.283%0.83178%0.779SS**  trans-113142.3162.8-29.1175.6000107.9
413P45.3Very low40.3Very low112 Ų112139.5 Ų139.573%0.72778%0.784SS**  -143.1134.3108.126-5.7000114.1
414I39.1Very low39.6Very low169 Ų169137 Ų13787%0.86778%0.779SS**  66.6118.396.7-56.8163.6000115.1
415G39.7Very low39.1Very low70 Ų70139.6 Ų139.672%0.72279%0.787SS**  trans177.588.1171.200000116.9
416S40.1Very low38.5Very low120 Ų120137.7 Ų137.784%0.83979%0.792SS**  trans-9.6154.5152.752.90000120.9
417S38.3Very low38Very low105 Ų105137.6 Ų137.673%0.73480%0.798SS**  cis-179.4176.6-4.3176.90000110.4
418K41.4Very low37.3Very low178 Ų178138.1 Ų138.177%0.77481%0.807SS**  trans103.189.6159.8-56.9-178.7-176.4176.80120.4
419N36.3Very low36.8Very low148 Ų148135.5 Ų135.579%0.79181%0.807SS**  77.1150.6121.8-62.13.8000123.1
420C34.9Very low36.5Very low118 Ų118135.7 Ų135.780%0.79781%0.808SS**  trans77.1105179.1-54.70000114.2
421S32.2Very low36.6Very low106 Ų106129.5 Ų129.574%0.74179%0.794SS**  cis70.6129.141.995.10000112.9
422L34.1Very low36.9Very low165 Ų165132.1 Ų132.186%0.86479%0.789SS**  cis-143151.54.9-119.9154.2000113.1
423F32.3Very low37.5Very low185 Ų185129.3 Ų129.381%0.81178%0.779SS**  trans-61.7166-176.6-102-106.9000116.6
424S28.4Very low37.6Very low106 Ų106127.7 Ų127.774%0.74177%0.769SS**  trans-145.5158152.7-76.80000110.6
425Q32.4Very low38.2Very low189 Ų189124.8 Ų124.888%0.88375%0.754SS**  trans66.6102.2170.5-57-173.718.800119.4
426S32.5Very low38.6Very low125 Ų125127.6 Ų127.687%0.87475%0.751SS**  trans-176.7151.7130.836.70000107.7
427G31.5Very low39.1Very low69 Ų69127.8 Ų127.871%0.71174%0.739SS**  cis145.280.30.300000109.8
428T34.7Very low39.5Very low141 Ų141127.1 Ų127.187%0.86573%0.734SS**  trans-141.1139.4-174.944.10000113.2
429T32.4Very low39.7Very low129 Ų129125.3 Ų125.379%0.79173%0.732SS**  trans-84.9124.4176.143.10000111.1N431T429-N431 PolarHBondContact O-N 3.46Å; T429-N431 VanDerWaalsContact O-N 3.15Å
430S40.9Very low40Very low119 Ų119126.2 Ų126.283%0.83273%0.734SS**  trans-84.587.6-175.241.60000112.6
431N40.8Very low40.7Very low124 Ų124126.5 Ų126.566%0.66373%0.726SS**  trans-55.8136.2168.4-74.7-75.1000111.4T429 V433 P434T429-N431 PolarHBondContact O-N 3.46Å; T429-N431 VanDerWaalsContact O-N 3.15Å; N431-V433 PolarHBondContact O-N 3.15Å; N431-P434 WeakPolarHBondContact O-CD 3.16Å
432L46.1Very low41.1Very low135 Ų135124.9 Ų124.971%0.70773%0.727SS**SBendtrans-68.4-0.8-173.5-72.5168.6000115.8I435L432-I435 HydrophobicContact CD2-CD1 4.27Å
433V53.9Low41.6Very low102 Ų102126.4 Ų126.462%0.61873%0.726SS**Hα-helixtrans-61.3-43.3-172.9-1770000114.3N431 I435 L436 Q437N431-V433 PolarHBondContact O-N 3.15Å; V433-I435 VanDerWaalsContact C-N 3.32Å; V433-I435 PolarHBondContact O-N 2.65Å; V433-L436 PolarHBondContact O-N 3.33Å; V433-Q437 PolarHBondContact O-N 2.99Å
434P48.1Very low41.8Very low79 Ų79126 Ų12651%0.51373%0.727SS.*Hα-helixtrans-64.8-32.4-175.9-23.135.2000114N431 L436 Q437 S438N431-P434 WeakPolarHBondContact O-CD 3.16Å; P434-L436 PolarHBondContact O-N 3.04Å; P434-Q437 WeakPolarHBondContact O-CB 3.39Å; P434-Q437 PolarHBondContact O-N 3.5Å; P434-Q437 VanDerWaalsContact O-N 3.16Å; P434-S438 PolarHBondContact O-N 3.18Å; P434-S438 PolarHBondContact O-OG 2.94Å
435I50.4Low42.1Very low108 Ų108129.4 Ų129.455%0.55473%0.731SS**Hα-helixtrans-66.4-40.5-175.5-62.5170.9000110.7L432 V433 Q437 S438 L439L432-I435 HydrophobicContact CD2-CD1 4.27Å; V433-I435 VanDerWaalsContact C-N 3.32Å; V433-I435 PolarHBondContact O-N 2.65Å; I435-Q437 VanDerWaalsContact C-N 3.32Å; I435-S438 PolarHBondContact O-N 2.92Å; I435-L439 PolarHBondContact O-N 2.93Å
436L49.1Very low42.3Very low128 Ų128130.6 Ų130.667%0.6773%0.733SS**Hα-helixtrans-67.7-33174.7-68.8171.1000112V433 P434 M440V433-L436 PolarHBondContact O-N 3.33Å; P434-L436 PolarHBondContact O-N 3.04Å; L436-M440 PolarHBondContact O-N 2.88Å
437Q50.6Low42.3Very low125 Ų125130.2 Ų130.258%0.58473%0.73SS**Hα-helixtrans-69.2-41.8176.8-161.6170.114.900111.7V433 P434 I435 L439 M440 I441V433-Q437 PolarHBondContact O-N 2.99Å; P434-Q437 WeakPolarHBondContact O-CB 3.39Å; P434-Q437 PolarHBondContact O-N 3.5Å; P434-Q437 VanDerWaalsContact O-N 3.16Å; I435-Q437 VanDerWaalsContact C-N 3.32Å; Q437-L439 PolarHBondContact O-N 2.85Å; Q437-M440 PolarHBondContact O-N 3.21Å; Q437-I441 HydrophobicContact CG-CD1 4.08Å; Q437-I441 WeakPolarHBondContact O-CG1 3.38Å; Q437-I441 PolarHBondContact O-N 3.22Å
438S45.6Very low42.7Very low90 Ų90133.2 Ų133.263%0.62974%0.735SS**Hα-helixtrans-59.7-42.5174.6-63.10000112.9P434 I435 M440 I441P434-S438 PolarHBondContact O-N 3.18Å; P434-S438 PolarHBondContact O-OG 2.94Å; I435-S438 PolarHBondContact O-N 2.92Å; S438-M440 PolarHBondContact O-N 2.86Å; S438-I441 PolarHBondContact O-N 2.97Å
439L46.8Very low42.9Very low141 Ų141136.8 Ų136.874%0.73873%0.734SS**Hα-helixtrans-65.1-24.7177.7-82.7162.8000113.6I435 Q437I435-L439 PolarHBondContact O-N 2.93Å; Q437-L439 PolarHBondContact O-N 2.85Å
440M43.2Very low42.9Very low166 Ų166134.7 Ų134.782%0.81872%0.724SS**Hα-helixtrans-87.2-15.6-177.5-131176.665.700114.1L436 Q437 S438L436-M440 PolarHBondContact O-N 2.88Å; Q437-M440 PolarHBondContact O-N 3.21Å; S438-M440 PolarHBondContact O-N 2.86Å
441I48.1Very low42.8Very low124 Ų124138.6 Ų138.664%0.63673%0.729SS**Hα-helixtrans-97.1-23-171.2-68.9170000113.1Q437 S438 K443Q437-I441 HydrophobicContact CG-CD1 4.08Å; Q437-I441 WeakPolarHBondContact O-CG1 3.38Å; Q437-I441 PolarHBondContact O-N 3.22Å; S438-I441 PolarHBondContact O-N 2.97Å; I441-K443 PolarHBondContact O-N 3.04Å
442G42.1Very low42.4Very low73 Ų73138 Ų13875%0.75374%0.735SS**SBendtrans-70.630.6-175.500000117.4
443K43.7Very low42.2Very low197 Ų197138.7 Ų138.786%0.85775%0.745SS**SBendtrans-135.631.3-171.6-94.4-165.9177.7-177.80116.7I441I441-K443 PolarHBondContact O-N 3.04Å
444Q35.6Very low41.2Very low176 Ų176141.1 Ų141.182%0.82276%0.755SS**  trans-142.5168.1164.1-74.5-155.214.700113.5
445Q35.7Very low41.1Very low178 Ų178141.8 Ų141.883%0.83276%0.759SS**  trans74.793.4169.8-53.4-173.75.500118.3
446K37.4Very low40.5Very low213 Ų213144.3 Ų144.393%0.92677%0.768SS**  -170117.6110.4-100.8166.9-174.91780110.8
447S31.5Very low40Very low117 Ų117144.7 Ų144.782%0.81877%0.771SS**  trans-145.791174.657.20000110.1
448V40.6Very low39.4Very low133 Ų133142.8 Ų142.881%0.80677%0.771SS**  trans-149.9127.6-176.4171.70000106.2
449Y37.9Very low39.3Very low216 Ų216147.3 Ų147.385%0.84778%0.782SS**  cis-142.5-164.5-1.7-150.1-125.2000111.5
450S33.5Very low38.7Very low84 Ų84145.7 Ų145.759%0.58778%0.783SS**  trans-112.9149.6-172.254.20000114.3
451Q38.2Very low39.2Very low201 Ų201142 Ų14294%0.93977%0.771SS**  trans-158.2158.5130.7-130.3171.73.100111.7
452S31.5Very low38.9Very low111 Ų111145.4 Ų145.478%0.77678%0.782SS**  trans-146.9148.6-176.957.60000112.5
453T43.4Very low38.8Very low151 Ų151145 Ų14593%0.92678%0.778SS**  trans-142.8157.516042.70000110.2
454N32.2Very low38.7Very low153 Ų153143.2 Ų143.282%0.81878%0.777SS**  trans-157.2-179-170.3-153.715.4000104.8
455P45.2Very low38.8Very low92 Ų92140.8 Ų140.860%0.59777%0.774SS**  cis-129.2-171.3-2119.46.4000113.3
456Q39.7Very low39Very low161 Ų161137.4 Ų137.475%0.75277%0.77SS**  trans120.7144.7135.3-65.8-151.5-8.600120.1
457N37Very low38.9Very low136 Ų136134.9 Ų134.973%0.72777%0.766SS**  trans74.4140.4156.9-65.3-19.8000121.1
458S39.4Very low39.5Very low85 Ų85139 Ų13959%0.59477%0.77SS**  cis-166.6162.6-24.250.80000112.7
459H42.4Very low39.4Very low185 Ų185141.6 Ų141.686%0.85678%0.775SS**  trans66.4132159.5-60.7-61.1000123.2
460S34.5Very low39.6Very low108 Ų108135.2 Ų135.276%0.75578%0.776SS**  trans-126.7-161.3155.860.30000106
461P53.7Low39.8Very low88 Ų88136.3 Ų136.357%0.57179%0.79SS**  cis-136.7-143.2-5.342.7-22.2000113.3
462F41.8Very low39.8Very low196 Ų196131.1 Ų131.186%0.8678%0.781SS**  trans83139.2174.6-49.1-69.3000116.9
463G39.8Very low40.3Very low65 Ų65132.3 Ų132.367%0.6778%0.784SS**  cis-174.1147.1-7.400000117.1
464L41.1Very low40Very low159 Ų159130.7 Ų130.783%0.83278%0.779SS**  trans49.4117.1136.5-59.3171.9000124.1
465V38Very low40.4Very low125 Ų125128 Ų12876%0.75878%0.778SS**  59.9120.3123.5-176.60000120.9
466S39.6Very low39.7Very low107 Ų107127.2 Ų127.275%0.74879%0.786SS**  -171.8139.7116.8-80.80000113.6
467N36.3Very low40.5Very low159 Ų159125.5 Ų125.585%0.8579%0.789SS**  trans-95.6152.3163.4-69.3-41.6000109.2
468F43.3Very low40.5Very low205 Ų205125.1 Ų125.190%0.89980%0.796SS**  trans-141136156-106.9-82000112.1
469M39.7Very low40.7Very low186 Ų186128.7 Ų128.792%0.91681%0.806SS**  trans-86.9144.7171.8-71.5157.650.200110
470G41.7Very low40.5Very low83 Ų83124.6 Ų124.686%0.85680%0.799SS**  trans-149.5107.417000000110.2
471A36.6Very low40.7Very low107 Ų107130.6 Ų130.688%0.88481%0.805SS**  trans-118.3122.7-179.900000110.2
472A39.7Very low40.3Very low91 Ų91133.5 Ų133.575%0.75282%0.815SS**  trans-154.3103171.300000111.5
473T41Very low40.4Very low136 Ų136132.2 Ų132.283%0.83481%0.811SS**  trans5.8134.6135.654.70000118.9
474S36.9Very low40.5Very low117 Ų117136.2 Ų136.282%0.81882%0.818SS**  163.1164.198.9-1630000113.1
475A41.7Very low41.1Very low97 Ų97133.9 Ų133.980%0.80281%0.812SS**  trans54114.115900000120
476G30.1Very low41.5Very low75 Ų75135 Ų13577%0.77381%0.814SS**  trans-122.7156.8148.100000110
477P55.6Low42.2Very low126 Ų126134.2 Ų134.282%0.81881%0.813SS**  trans-117.3135167.635.8-24.9000112.6
478C38.5Very low42.9Very low127 Ų127131.8 Ų131.886%0.85881%0.806SS**  trans-90.6133.5161.6-58.40000109
479I42.4Very low43.1Very low160 Ų160128.8 Ų128.882%0.82180%0.799SS**  trans-155.1113.6159.3-103.7143.9000112.2
480S39.4Very low43.2Very low100 Ų100126.2 Ų126.270%0.69979%0.789SS**  trans23.3127.1137.4-50.70000124
481R37.9Very low43.5Very low233 Ų233128.2 Ų128.288%0.87979%0.785SS**  trans75.7164.1131.5-77.4-179164.8-179.2-5.5120.6
482L44.3Very low44Very low149 Ų149128.5 Ų128.578%0.7878%0.777SS**  trans77.1139.7-179.8-48.6175.2000113.2
483Q45.2Very low44.2Very low169 Ų169129.9 Ų129.979%0.7978%0.78SS**  cis-156.2163.2-6.2-123158.9-35.600109.8
484N41.1Very low44.2Very low150 Ų150130.5 Ų130.580%0.80278%0.778SS**  trans-79.1174.8174.4-65.7-7.4000111.8
485P54Low44.6Very low110 Ų110130.2 Ų130.271%0.71477%0.771SS**  -140148.694.128.8-10.4000116.8
486D47.7Very low44.5Very low148 Ų148133.2 Ų133.279%0.79177%0.774SS**  trans43124.5136.6-41-30.3000120.7
487A54Low44.8Very low90 Ų90137.3 Ų137.374%0.74478%0.777SS**  cis85.4160.728.400000115.2
488P51.2Low44.1Very low108 Ų108137.5 Ų137.570%0.70178%0.779SS**  cis-136.6-155.9-20.326.6-0.9000113.8
489L45.7Very low44.2Very low143 Ų143135.5 Ų135.575%0.74977%0.766SS**  trans89.1137.5158.4-50.4179.7000118.7
490D42.4Very low44.1Very low131 Ų131136.8 Ų136.870%0.70177%0.768SS**  cis-160.6136.4-27.5-123.39000113.3
491V49Very low44.1Very low126 Ų126135.5 Ų135.576%0.76477%0.77SS**  trans59.7146.2134.9171.60000121.8
492P46.2Very low44Very low113 Ų113130.1 Ų130.173%0.73477%0.769SS**  trans-123.3-179.8-160.244.2-29.4000116
493C44Very low43.7Very low119 Ų119130.5 Ų130.580%0.80477%0.77SS**  trans175.7130138.6-92.40000107.2
494D41.1Very low43.6Very low149 Ų149133.6 Ų133.680%0.79778%0.775SS**  94.714951.4-159.313.1000112.6
495V46.4Very low43.7Very low112 Ų112134.6 Ų134.668%0.67978%0.775SS**  trans82.8109.7176.3-169.10000120
496D39.5Very low43.5Very low159 Ų159136.4 Ų136.485%0.8578%0.778SS**  trans67.1143.8144.3-63.5-17000127.1
497L35Very low43.3Very low161 Ų161141.5 Ų141.584%0.84379%0.786SS**  trans-81.1159.6171.5-110.674000111.5
498P42Very low42.5Very low131 Ų131145 Ų14585%0.85179%0.792SS**  -150.4-156.476.841.5-20.4000115.7
499S39.5Very low42.2Very low84 Ų84143 Ų14359%0.58779%0.791SS**  trans-106.9175.7-153.851.40000116.9
500H41.7Very low42.2Very low188 Ų188141.8 Ų141.887%0.8779%0.79SS**  trans82.4142.7167.4-52.3-78.1000118.3
501G37.8Very low42.2Very low72 Ų72146 Ų14674%0.74280%0.796SS**  trans135.472.5147.800000117.3
502S36.7Very low42Very low121 Ų121146.4 Ų146.485%0.84679%0.794SS**  trans-5.4128.9151.2-52.70000119
503L38.5Very low41.9Very low156 Ų156147.4 Ų147.482%0.81780%0.798SS**  trans-150.7111.3143.8-118.1166.7000112.6
504R41.3Very low42Very low235 Ų235146.5 Ų146.589%0.88780%0.799SS**  trans-95.3123.4160.6-78.1177.3168.3-119.23.6108.1
505Q44.1Very low42.1Very low170 Ų170143.3 Ų143.379%0.79479%0.793SS**  trans-178.3114.4154.3-110.9162.883.400111.5
506L49.5Very low42.3Very low149 Ų149146.5 Ų146.578%0.7880%0.8SS**  177.4112.9121.1-121.168.6000111.2
507W44.3Very low42.7Very low254 Ų254144.4 Ų144.496%0.96280%0.795SS**  -163127.8125.1-127.6-69.9000107.8
508N37.6Very low42.8Very low165 Ų165142.5 Ų142.588%0.88280%0.795SS**  trans-125.5141.6-176.3-95.3-24.7000110.3
509G44.4Very low43Very low65 Ų65141.5 Ų141.567%0.6779%0.788SS**  trans140.3144.1173.200000112.9
510T45.4Very low43.1Very low118 Ų118146.8 Ų146.872%0.72480%0.804SS**  cis-160.5127.6-8-41.20000109.6
511R41.7Very low43.1Very low218 Ų218145.6 Ų145.682%0.82380%0.803SS**  trans61.8162.1158.7-77.8174.5-162.2160.94.3116.8
512D44.5Very low43.3Very low135 Ų135150.6 Ų150.672%0.72281%0.807SS**  cis-140155.91-107.8-36.1000114.1
513V45.8Very low43.4Very low135 Ų135150.6 Ų150.682%0.81881%0.805SS**  trans-16.6128.2156.4-1760000119.7
514A46.2Very low43.7Very low100 Ų100150.7 Ų150.783%0.82681%0.805SS**  trans-164.2156.6139.700000110.8
515A43.4Very low43.7Very low81 Ų81142.9 Ų142.967%0.66980%0.797SS**  trans-150.7160.9-175.300000115
516H50.4Low43.6Very low179 Ų179143.2 Ų143.283%0.82980%0.803SS**  trans72.1162.4171-49.9-72.3000117.1
517P46.2Very low43.5Very low115 Ų115146.5 Ų146.575%0.74781%0.807SS**  -135.6172.3-51.238.9-24.9000113.6
518S38Very low43.6Very low122 Ų122139.7 Ų139.785%0.85380%0.796SS**  trans-70.9153.4171.3-42.60000113.7
519P46.8Very low44Very low109 Ų109139.5 Ų139.571%0.70880%0.795SS**  trans-130.3129.9152.935.5-22.5000115.4
520Q42.1Very low44.1Very low196 Ų196141.9 Ų141.992%0.91680%0.796SS**  trans72139.2138.7-61.1-174.5800122.8
521L40.4Very low43.9Very low162 Ų162140.9 Ų140.985%0.84879%0.794SS**  trans-84.8148175.3-60.1152.1000111.1
522Q43.3Very low43.9Very low177 Ų177142.3 Ų142.383%0.82780%0.799SS**  trans-145119.7144.5-76.3-159.8-0.200111.3
523P38.9Very low43.7Very low122 Ų122144.3 Ų144.379%0.79280%0.802SS**  trans-105115.8159.833.5-23.5000110.2
524L44.4Very low43.6Very low158 Ų158146.6 Ų146.683%0.82780%0.803SS**  trans-121.1101.7171.3-99165.2000109.2
525G40.8Very low43.3Very low70 Ų70147.4 Ų147.472%0.72280%0.798SS**  trans-100.3155.2170.100000111.4
526L42.5Very low43.3Very low177 Ų177150.7 Ų150.793%0.92780%0.803SS**  trans-142.6148161.4-99.5172000109.3
527Y45.8Very low43Very low218 Ų218151.4 Ų151.486%0.85580%0.804SS**  trans-78.2158-175.7-107.9-120000112.5
528P46.7Very low42.8Very low112 Ų112152.3 Ų152.373%0.72781%0.807SS**  trans-71.7142.8165.232.1-34.3000110.7
529D47.5Very low43.4Very low161 Ų161151.7 Ų151.786%0.86180%0.8SS**  trans-112.2149173-168.316.1000110.8
530V44.9Very low43.2Very low115 Ų115153.6 Ų153.670%0.69781%0.805SS**  trans-138.8135.4-168.3-169.20000110.5
531S41.9Very low43.4Very low96 Ų96149.6 Ų149.667%0.67180%0.798SS**  trans83114.8174.1-36.70000116.6
532R41.8Very low43.6Very low249 Ų249144.8 Ų144.894%0.9479%0.788SS**  trans-140.4134.2145.6-105.2-176.6-170-149.11111.5
533F41Very low43.7Very low176 Ų176143.9 Ų143.977%0.77279%0.788SS**  trans-86.6139.3177.5-71.7-104.9000111.6
534Q43.9Very low44.1Very low183 Ų183146 Ų14686%0.85579%0.792SS**  trans-180113.5143.7-99.1148.391.900106.3
535T38.3Very low43.9Very low117 Ų117141.6 Ų141.672%0.71878%0.784SS**  68.595.650.1-50.60000112.9
536I44.7Very low44.1Very low151 Ų151150 Ų15077%0.77479%0.794SS**  trans-163.5120.5147-105.9151.9000112.2
537K44.2Very low44.1Very low193 Ų193147 Ų14784%0.83979%0.786SS**  trans59.5112.5147.9-58176.9-176.1177.10122
538T41.3Very low44.1Very low134 Ų134144.3 Ų144.382%0.82278%0.784SS**  trans-66.9-176.415043.90000112.4
539P49.7Very low44Very low109 Ų109145.7 Ų145.771%0.70879%0.79SS**  cis-124.2-162.5347.1-31.9000112.1
540D43.7Very low44.2Very low150 Ų150147.6 Ų147.680%0.80279%0.791SS**  cis-158176.6-2-134.3-27.4000106.8
541S46.1Very low44.6Very low111 Ų111147 Ų14778%0.77680%0.798SS**  cis-155.2-178.3-472.70000107.8
542G43.4Very low44.8Very low61 Ų61151.1 Ų151.163%0.62981%0.807SS**  cis172.7149.4-4.600000112.4
543L45.9Very low45Very low159 Ų159147.5 Ų147.583%0.83280%0.8SS**  trans51.8118164.2-58.1-178.2000121.9
544L47.2Very low45.1Very low166 Ų166145.2 Ų145.287%0.86980%0.796SS**  trans55.3138.7133.8-52.5171.9000120.2
545G41.2Very low45.2Very low65 Ų65141.7 Ų141.767%0.6779%0.787SS**  cis141.1138.30.200000112.4
546R45.5Very low45.5Very low246 Ų246143.8 Ų143.893%0.92879%0.793SS**  trans86135.6-178.8-54.6178.7176.5-163.7-1.7117.2
547P42.2Very low45.5Very low116 Ų116141 Ų14175%0.75379%0.787SS**  trans-94.4-169.7162.338.2-32.3000112
548I45.4Very low45.4Very low161 Ų161136.3 Ų136.383%0.82678%0.778SS**  trans85.6101.9174.2-49.1160.2000115.7
549V45.3Very low45.7Very low140 Ų140140.4 Ų140.485%0.84878%0.78SS**  trans-144.7134.9134.6-179.80000108.3
550K51.5Low45.4Very low201 Ų201142.1 Ų142.187%0.87478%0.784SS**  trans-110.1138.8154.7-94.5-173.5173.9-178.60107.6
551A53.2Low45.4Very low103 Ų103139.4 Ų139.485%0.85178%0.776SS**  trans-70.5158.4-17600000113.2
552Q44.4Very low45.3Very low182 Ų182140.4 Ų140.485%0.8577%0.773SS**  trans-102-165.6-174.3-58.4174-85.200112.5
553Q47Very low45.3Very low173 Ų173144.7 Ų144.781%0.80878%0.776SS**  trans81.3136.9172.3-59.6-175.2-1400114.1
554N43.6Very low45.1Very low129 Ų129145.6 Ų145.669%0.6978%0.776SS**  cis-161.9164.54-106.5-5.7000108.9
555V46.5Very low44.9Very low109 Ų109141.9 Ų141.966%0.66177%0.77SS**  cis-171.8169.5-23.6110.90000107.9
556L44.3Very low45.2Very low161 Ų161144 Ų14484%0.84377%0.772SS**  trans67.2163.9180-65.5156.6000116
557S43.3Very low44.9Very low91 Ų91139.7 Ų139.764%0.63677%0.767SS**  cis178.6154-44.858.10000109.3
558S43.9Very low44.7Very low95 Ų95139 Ų13966%0.66477%0.766SS**  cis-172158.5-20.6-82.30000108.4
559Y46.7Very low44.3Very low220 Ų220137.1 Ų137.186%0.86376%0.761SS**  trans68.2147.2-178.9-55.3-80.7000114.7
560N42.8Very low44.2Very low146 Ų146139.7 Ų139.778%0.78176%0.762SS**  cis-147.9164.927.5-138.11.6000114
561S44.7Very low43.8Very low93 Ų93137.8 Ų137.865%0.6575%0.753SS**  trans-80.6171167.748.90000111.6
562N43.1Very low43.3Very low131 Ų131138.4 Ų138.470%0.70175%0.747SS**  cis-147.8-1524.4-137.322.1000109.7
563E43.4Very low43.2Very low151 Ų151135.4 Ų135.471%0.70674%0.737SS**  cis-150.6-100.711.8-161.6128.3-87.200115.2
564Q43.1Very low43Very low178 Ų178135.2 Ų135.283%0.83274%0.736SS**  trans-153.3168-162.9-70.5173.71300108.8
565A41.2Very low42.9Very low89 Ų89132 Ų13274%0.73673%0.733SS**  cis-166.2168-18.100000108.8
566P48.4Very low42.9Very low110 Ų110136.1 Ų136.171%0.71475%0.745SS**  trans-105.8164.7-177.639.3-34.3000115.2
567N39.1Very low42.8Very low155 Ų155131.4 Ų131.483%0.82974%0.735SS**  trans167.7166.9136.8-88.3-29.8000116.4
568S38.5Very low42.8Very low102 Ų102132.8 Ų132.871%0.71375%0.745SS**  trans73.6134.817675.70000117.1
569T35.8Very low42.8Very low120 Ų120133.9 Ų133.974%0.73675%0.747SS**  cis102.890.43.6-46.80000117.5
570F44Very low42.6Very low195 Ų195130.4 Ų130.486%0.85574%0.743SS**  trans-157.1162.3157.5-79.6-86.3000109.1
571F42.7Very low42.4Very low160 Ų160128 Ų12870%0.70274%0.738SS**  cis-177.3125.2-44.2-127.5-73.6000108.2
572T42.5Very low42.2Very low116 Ų116128.8 Ų128.871%0.71274%0.744SS**  trans60.8169.1160440000118.9
573N41.8Very low42Very low120 Ų120129.5 Ų129.564%0.64275%0.747SS**  cis-157.7158.42.3-131.7-19.3000113.8
574Q44.5Very low42.2Very low168 Ų168133.4 Ų133.479%0.78576%0.757SS**  trans60156.3154.5-63.8167.349.100119.9
575G40.8Very low42Very low61 Ų61132.2 Ų132.263%0.62975%0.751SS**  cis171.2157.9-10.200000114.2
576H47.2Very low42.3Very low196 Ų196135.3 Ų135.391%0.90776%0.755SS**  trans65.4149.4169.1-47.8-88000119.1
577G41.5Very low41.9Very low62 Ų62134.4 Ų134.464%0.63975%0.752SS**  cis164.4136.6-16.800000115.7
578S42.7Very low42.2Very low121 Ų121132.1 Ų132.185%0.84675%0.747SS**  trans63.4165.2162.569.70000118.9
579V44.6Very low42.5Very low117 Ų117135.7 Ų135.771%0.70975%0.752SS**  cis-149.9161.62.1-130.80000111.1
580N41.5Very low42.8Very low147 Ų147136.9 Ų136.979%0.78675%0.754SS**  trans27.5157.8137.2-65.84.8000123.4
581S38.6Very low43Very low97 Ų97135 Ų13568%0.67875%0.752SS**  cis-179.4-177.2-16.758.30000110.6
582S40.8Very low42.9Very low109 Ų109133.2 Ų133.276%0.76275%0.75SS**  trans76.7135.1173.571.20000116.7
583L40.3Very low43.1Very low145 Ų145139.5 Ų139.576%0.75976%0.76SS**  cis92.5107.537.3-99.9166.5000114.6
584Y46.6Very low43.3Very low234 Ų234140.5 Ų140.592%0.91877%0.766SS**  trans-153.3154.6144-119.1-81.6000110
585Q39.7Very low43.3Very low153 Ų153141.3 Ų141.372%0.71577%0.771SS**  trans-114146.2-178.6-61.4168.9-8100110.2
586D45.7Very low43.3Very low154 Ų154148.4 Ų148.482%0.82479%0.785SS**  177164.8121.6-93.4-23.9000111.2
587S41.9Very low43Very low91 Ų91147.1 Ų147.164%0.63678%0.779SS**  cis158.680.1-29.9-83.30000107.5
588S45.4Very low43.1Very low106 Ų106152.1 Ų152.174%0.74178%0.784SS**  trans-158.7108.8164.550.50000114.1
589H44.2Very low43Very low177 Ų177156.2 Ų156.282%0.81978%0.782SS**  trans16154.4139.2-41.6-63.5000121.7
590L42.4Very low42.8Very low146 Ų146158.3 Ų158.376%0.76479%0.789SS**  cis-176.6167.3-27.1-16176.3000106.2
591L47.8Very low42.8Very low155 Ų155155 Ų15581%0.81279%0.789SS**  trans71.4149.2169.9-50.1175000116.7
592D40.1Very low42.9Very low123 Ų123157 Ų15766%0.65879%0.793SS**  cis-158.4136.7-33.9-177.316.3000108.2
593R47.2Very low43Very low247 Ų247157.7 Ų157.793%0.93279%0.792SS**  trans-167.589.7160.2-123173.3179.5163.71.1112.4
594N45Very low42.9Very low142 Ų142159.9 Ų159.976%0.75980%0.799SS**  trans-79.4-177.3170.2-99.2-70.4000113.4
595M44.6Very low42.5Very low184 Ų184154.5 Ų154.591%0.90680%0.795SS**  trans79.181.2174.4-62.4-62.4176.800117.7
596K40.6Very low42.4Very low210 Ų210153.1 Ų153.191%0.91380%0.803SS**  trans-15883.2151.2-138-176.3-171.1-173.60113.1
597Q42.3Very low42.2Very low169 Ų169152.9 Ų152.979%0.7980%0.801SS**  trans-152.5173.1167.4-82.6-149.5-2.200111.1
598F42.7Very low42.1Very low167 Ų167155 Ų15573%0.73281%0.805SS**  trans71.8124.9-175.5-54.2-70.3000114.5
599Y40.6Very low41.7Very low207 Ų207156.5 Ų156.581%0.81280%0.804SS**  cis-132.1146.5-5.1-103.8-81.6000110.5
600L41.5Very low41.4Very low161 Ų161155.9 Ų155.984%0.84381%0.807SS**  trans-91.2140.2154.9-91.277.3000108.6
601G41.2Very low41Very low78 Ų78153.6 Ų153.680%0.80480%0.803SS**  trans-150.8102.3170.800000109.2
602N40.9Very low40.7Very low140 Ų140155.5 Ų155.575%0.74981%0.808SS**  trans-77144176.5-59.5-16.9000109.7
603T41.7Very low40.6Very low123 Ų123152.8 Ų152.876%0.75581%0.809SS**  -175.9130.2106.634.10000112.2
604E39.4Very low40.2Very low190 Ų190151.2 Ų151.289%0.88881%0.809SS**  trans59.3130.3141.2-57.5-171.915700121.5
605S36.3Very low40Very low122 Ų122153 Ų15385%0.85382%0.818SS**  trans-104.3133.7179.4550000111.8
606S39.6Very low39.6Very low124 Ų124149.8 Ų149.887%0.86781%0.814SS**  trans-127.1141.8166.762.80000112
607N40.1Very low39.6Very low149 Ų149146 Ų14680%0.79781%0.812SS**  trans-81.9154.8-163-101.7-51.4000115.2
608L40.9Very low39.5Very low136 Ų136142.8 Ų142.871%0.71281%0.808SS**  trans70.8129.5144.6-68.4163.3000121.1
609N36.1Very low39.6Very low136 Ų136144.9 Ų144.973%0.72782%0.817SS**  trans54.8112141.2-58.6-6.4000119.8
610N37.9Very low39.7Very low165 Ų165143.1 Ų143.188%0.88282%0.816SS**  trans-153.2156.7130.4-111.4-36.7000112.9
611S34.7Very low39.5Very low97 Ų97141 Ų14168%0.67882%0.815SS**  trans-112.3127.3-171.156.90000113.1
612H41.1Very low39.7Very low195 Ų195147.7 Ų147.790%0.90382%0.818SS**  trans-148.2145.4161.2-75-79.6000109.2
613G38.1Very low39.7Very low67 Ų67144.5 Ų144.569%0.69182%0.817SS**  cis-173.3143.7-8.900000111.2
614F38.9Very low39.7Very low213 Ų213146 Ų14693%0.93482%0.821SS**  trans-78124175-86.8-95.8000110.8
615L39.8Very low39.7Very low180 Ų180144.1 Ų144.194%0.94282%0.816SS**  trans-90.896.7164.3-74.3173.3000109.7
616S36.8Very low40Very low117 Ų117145.7 Ų145.782%0.81881%0.814SS**  trans-100.6108.3169.1-171.60000109
617C41.6Very low40Very low130 Ų130145 Ų14588%0.87881%0.807SS**  trans-89.9116.6-178.1-163.10000110.1
618S39.2Very low40.2Very low101 Ų101147.8 Ų147.871%0.70681%0.812SS**  trans-80.3151.7177.4620000111.8
619K45Very low40Very low211 Ų211150.5 Ų150.592%0.91782%0.821SS**  trans-126.2143.3155.3-91.5-175.2173.1178.20109.3
620Q42.8Very low40.2Very low171 Ų171149.1 Ų149.180%0.79982%0.822SS**  trans-86.6159.2-160.9-68.1162.9-46.900113
621S36.9Very low40.3Very low117 Ų117146.6 Ų146.682%0.81882%0.818SS**  trans-92.4113.5175.9-176.50000111.7
622Y45.1Very low40.2Very low218 Ų218147.6 Ų147.686%0.85582%0.824SS**  trans-150.6146.6158.3-68-80.1000106.6
623G41.2Very low40.3Very low72 Ų72144.2 Ų144.274%0.74282%0.82SS**  cis-162.1163.9-3.500000110.7
624N42Very low40Very low155 Ų155145.9 Ų145.983%0.82982%0.821SS**  trans-74.2153.4-167.9-83.6-33.2000116
625L39.1Very low40Very low150 Ų150144 Ų14479%0.78582%0.819SS**  trans55.7112.6142.9-65.5164.8000119.9
626L43.9Very low39.7Very low156 Ų156140 Ų14082%0.81781%0.812SS**  178.9143.9105.2-94.7165.4000111.3
627P39.4Very low39.7Very low110 Ų110139.5 Ų139.571%0.71481%0.809SS**  trans-95149.2173.636.3-30.8000112.1
628F43.1Very low39.3Very low207 Ų207138.8 Ų138.891%0.90881%0.806SS**  trans-122.3137.8166.2-104.6-85.4000112
629Q38.1Very low39.5Very low193 Ų193141.3 Ų141.390%0.90281%0.809SS**  trans-100.2133.4178.2-63.4175-12.500110.4
630S40.4Very low39.1Very low106 Ų106137.4 Ų137.474%0.74180%0.804SS**  trans-164.692155.355.50000108.5
631S38.3Very low38.9Very low113 Ų113140.8 Ų140.879%0.7981%0.809SS**  71.890.582.672.30000113.6
632S33.9Very low39.1Very low117 Ų117142.8 Ų142.882%0.81881%0.811SS**  trans-62.4160.2163.2-39.70000111.1
633P42Very low38.8Very low125 Ų125140.4 Ų140.481%0.81281%0.805SS**  -138.1161110.937.4-27.4000114.9
634S33.2Very low38.6Very low102 Ų102144.2 Ų144.271%0.71381%0.808SS**  trans-71.1138173.1167.80000112.3
635L38.2Very low38.4Very low172 Ų172142.5 Ų142.590%0.90181%0.809SS**  trans-137.596.8151.6-76-179.3000110
636A33.1Very low38.3Very low96 Ų96141.3 Ų141.379%0.79381%0.813SS**  trans-95.7110.1164.800000109.1
637S38.2Very low38.2Very low107 Ų107138.8 Ų138.875%0.74881%0.814SS**  trans-106.1110.4178.347.30000111.3
638S33Very low38.3Very low116 Ų116141.8 Ų141.881%0.81182%0.819SS**  trans-62.7133.1176.6-54.40000112
639I41.8Very low38.2Very low153 Ų153141.3 Ų141.379%0.78582%0.819SS**  trans-113.3118.6162.1-63.7-179000108.1
640T37.4Very low38.3Very low130 Ų130140.3 Ų140.380%0.79881%0.814SS**  trans-85.7123.9-178.236.20000111.2N642T640-N642 PolarHBondContact O-N 3.34Å
641W39.7Very low38.2Very low241 Ų241142.1 Ų142.191%0.91382%0.821SS**  trans-85110.4168.3-79.74.6000110.6
642N40.1Very low38.2Very low159 Ų159145.7 Ų145.785%0.8582%0.823SS**  trans-76.1155175.7-164.312000111.3T640T640-N642 PolarHBondContact O-N 3.34Å
643K38.4Very low38.8Very low169 Ų169146 Ų14674%0.73582%0.819SS**  trans-111.3169.7-179.9-65.2-178178.3177.80111.4
644N38Very low38.8Very low151 Ų151146.8 Ų146.881%0.80782%0.817SS**  trans9284.8160.8-49.2-22.6000118.4
645S37.8Very low38.8Very low120 Ų120151.3 Ų151.384%0.83983%0.826SS**  -168.1118.8125.4-85.20000108
646S37Very low38.7Very low124 Ų124148.2 Ų148.287%0.86782%0.819SS**  cis75.866.845.3-166.90000114.2
647A41.7Very low39.1Very low103 Ų103153 Ų15385%0.85183%0.825SS**  trans-135.5116.2152.800000108.6
648Q40.6Very low39.4Very low173 Ų173152.8 Ų152.881%0.80883%0.83SS**  trans-80.9141.7167.4-66.4177.1-31.900108.7
649H42.3Very low40.1Very low197 Ų197151.9 Ų151.991%0.91282%0.824SS**  trans-150.1147.7132.9-104.2-73.2000109.5
650Q38.4Very low40.5Very low172 Ų172150.2 Ų150.280%0.80482%0.816SS**  trans-101.3130-172.7-55.1175.123.900110.7
651T38.8Very low41.4Very low145 Ų145146.2 Ų146.289%0.8980%0.8SS**  trans-144.8127.6148-27.60000109.1
652K38.7Very low42.1Very low188 Ų188138.3 Ų138.382%0.81778%0.782SS**  trans-93.8179.9170.2-67.9177.2177.5175.40109.3
653V45.4Very low43.2Very low124 Ų124136.6 Ų136.675%0.75277%0.772SS**  trans111.4118.6153.1-1780000115.4
654N42.1Very low44.7Very low141 Ų141132.5 Ų132.575%0.75476%0.761SS**  trans69.177.5157.9-61.8-3.7000121.1
655E33.4Very low46.5Very low197 Ų197130.5 Ų130.592%0.92175%0.75SS**  trans-77.8124131.3-67.2176.5105.900108.8
656S35.7Very low48.3Very low106 Ų106129.6 Ų129.674%0.74174%0.736SS**  trans171.530.6158.340.10000116.2
657Q42.3Very low50.3Low196 Ų196127.3 Ų127.392%0.91672%0.72SS**  trans-148.576-179.5-129173.5800114.7
658A44Very low52.1Low103 Ų103128.2 Ų128.285%0.85171%0.706SS**  trans-143.2-16.5178.600000116.2N660A658-N660 PolarHBondContact O-N 3.06Å
659S47.5Very low54.1Low98 Ų98125.6 Ų125.669%0.68570%0.697SS**THydrogen-bonded Turntrans-84.5-5.6-166.952.40000116.6
660N51.5Low56Low118 Ų118119.9 Ų119.963%0.63168%0.676SS**THydrogen-bonded Turntrans-98.4-7-162.1-65.33.5000114.7A658 T664A658-N660 PolarHBondContact O-N 3.06Å; N660-T664 PolarHBondContact O-OG1 3.19Å
661G55.1Low58Low45 Ų45117.4 Ų117.446%0.46466%0.664SS.*Hα-helixtrans-73.8-30.9-172.900000115.8T664G661-T664 PolarHBondContact O-OG1 3.09Å
662S55.8Low60Low76 Ų76118.6 Ų118.653%0.53165%0.653SS.*Hα-helixtrans-71.2-35.9-177.253.80000113L665 L666S662-L665 PolarHBondContact O-N 3.44Å; S662-L666 PolarHBondContact O-N 3.47Å; S662-L666 VanDerWaalsContact O-N 3.13Å
663L62.8Low61.9Low122 Ų122116 Ų11664%0.63964%0.643SS**Hα-helixtrans-69.2-32.3179.1-64.7178.2000112.4L666 S667L663-L666 HydrophobicContact CD2-CD1 4.48Å; L663-S667 WeakPolarHBondContact O-CB 3.3Å; L663-S667 PolarHBondContact O-N 3.21Å
664T69.4Low63.3Low83 Ų83117.2 Ų117.251%0.50964%0.638SS.*Hα-helixtrans-66.5-41.6175.3-6.70000111.8N660 G661 S667 Q668N660-T664 PolarHBondContact O-OG1 3.19Å; G661-T664 PolarHBondContact O-OG1 3.09Å; T664-S667 PolarHBondContact O-N 3.39Å; T664-Q668 WeakPolarHBondContact O-CG 3.38Å; T664-Q668 PolarHBondContact O-N 3.02Å
665L76.4Confident64.9Low109 Ų109117.4 Ų117.457%0.57164%0.639SS**Hα-helixtrans-67-41.4177.5-67.3169.6000111.8S662 S667 Q668 L669S662-L665 PolarHBondContact O-N 3.44Å; L665-S667 VanDerWaalsContact C-N 3.34Å; L665-S667 PolarHBondContact O-N 3.5Å; L665-Q668 PolarHBondContact O-N 3.24Å; L665-L669 PolarHBondContact O-N 2.84Å
666L76.4Confident66.8Low102 Ų102115.1 Ų115.153%0.53463%0.626SS.*Hα-helixtrans-62-41.3172.9-73169.4000111.9S662 L663 Q668 L669 V670S662-L666 PolarHBondContact O-N 3.47Å; S662-L666 VanDerWaalsContact O-N 3.13Å; L663-L666 HydrophobicContact CD2-CD1 4.48Å; L666-Q668 VanDerWaalsContact C-N 3.34Å; L666-Q668 PolarHBondContact O-N 3.36Å; L666-L669 PolarHBondContact O-N 3.23Å; L666-V670 WeakPolarHBondContact O-CG2 3.44Å; L666-V670 PolarHBondContact O-N 3.35Å; L666-V670 VanDerWaalsContact O-N 3.09Å
667S77.2Confident67.8Low76 Ų76117.3 Ų117.353%0.53162%0.624SS.*Hα-helixtrans-62.5-40175.3-166.90000112.2L663 T664 L665 E671L663-S667 WeakPolarHBondContact O-CB 3.3Å; L663-S667 PolarHBondContact O-N 3.21Å; T664-S667 PolarHBondContact O-N 3.39Å; L665-S667 VanDerWaalsContact C-N 3.34Å; L665-S667 PolarHBondContact O-N 3.5Å; S667-E671 WeakPolarHBondContact O-CG 3.35Å; S667-E671 PolarHBondContact O-N 2.96Å
668Q80.3Confident68.8Low122 Ų122112.6 Ų112.657%0.5761%0.611SS**Hα-helixtrans-68.8-39.7177.1-74.9177.8-16.800112.4T664 L665 L666 E671 W672T664-Q668 WeakPolarHBondContact O-CG 3.38Å; T664-Q668 PolarHBondContact O-N 3.02Å; L665-Q668 PolarHBondContact O-N 3.24Å; L666-Q668 VanDerWaalsContact C-N 3.34Å; L666-Q668 PolarHBondContact O-N 3.36Å; Q668-E671 PolarHBondContact O-N 3.35Å; Q668-W672 PolarHBondContact O-N 3.47Å
669L81.9Confident69.5Low117 Ų117114.1 Ų114.161%0.61361%0.612SS**Hα-helixtrans-61.3-43.8175.5-86.1161.8000112.3L665 L666 E671 W672 E673L665-L669 PolarHBondContact O-N 2.84Å; L666-L669 PolarHBondContact O-N 3.23Å; L669-E671 VanDerWaalsContact C-N 3.31Å; L669-E671 PolarHBondContact O-N 3.05Å; L669-W672 PolarHBondContact O-N 3.02Å; L669-W672 VanDerWaalsContact O-N 3.16Å; L669-E673 PolarHBondContact O-N 3.47Å
670V82.9Confident69.6Low77 Ų77120.7 Ų120.747%0.46762%0.622SS.*Hα-helixtrans-65.3-31.5178.2170.70000112.5L666 K674L666-V670 WeakPolarHBondContact O-CG2 3.44Å; L666-V670 PolarHBondContact O-N 3.35Å; L666-V670 VanDerWaalsContact O-N 3.09Å; V670-K674 WeakPolarHBondContact O-CG 3.33Å; V670-K674 PolarHBondContact O-N 3.45Å
671E81.3Confident69.8Low121 Ų121120.2 Ų120.257%0.56563%0.628SS**Hα-helixtrans-74.8-38171.6-61.8-130.9125.800112S667 Q668 L669 E673 K674 L675S667-E671 WeakPolarHBondContact O-CG 3.35Å; S667-E671 PolarHBondContact O-N 2.96Å; Q668-E671 PolarHBondContact O-N 3.35Å; L669-E671 VanDerWaalsContact C-N 3.31Å; L669-E671 PolarHBondContact O-N 3.05Å; E671-E673 VanDerWaalsContact C-N 3.35Å; E671-E673 PolarHBondContact O-N 3.38Å; E671-K674 PolarHBondContact O-N 3.04Å; E671-L675 WeakPolarHBondContact O-CG 3.42Å; E671-L675 PolarHBondContact O-N 3.45Å; E671-L675 VanDerWaalsContact O-N 3.12Å
672W79.9Confident69.3Low170 Ų170125.9 Ų125.964%0.64465%0.647SS**Hα-helixtrans-63-37.6175.9-120.471.1000113.1Q668 L669 L675Q668-W672 PolarHBondContact O-N 3.47Å; L669-W672 PolarHBondContact O-N 3.02Å; L669-W672 VanDerWaalsContact O-N 3.16Å; W672-L675 PolarHBondContact O-N 3.15Å
673E77.9Confident69.3Low133 Ų133127 Ų12762%0.62165%0.653SS**Hα-helixtrans-68.4-42.9175.9-168.9180-176.800111.8L669 E671 L675 K676L669-E673 PolarHBondContact O-N 3.47Å; E671-E673 VanDerWaalsContact C-N 3.35Å; E671-E673 PolarHBondContact O-N 3.38Å; E673-L675 PolarHBondContact O-N 3.1Å; E673-K676 PolarHBondContact O-N 3.36Å; E673-K676 VanDerWaalsContact O-N 3.07Å
674K75.2Confident68.4Low149 Ų149126.3 Ų126.365%0.64866%0.658SS**Hα-helixtrans-58.1-36.5174.4-77.9174.91801730112.7V670 E671 K676V670-K674 WeakPolarHBondContact O-CG 3.33Å; V670-K674 PolarHBondContact O-N 3.45Å; E671-K674 PolarHBondContact O-N 3.04Å; K674-K676 VanDerWaalsContact C-N 3.25Å; K674-K676 PolarHBondContact O-N 3.45Å
675L75.2Confident67.5Low146 Ų146131.4 Ų131.476%0.76467%0.674SS**THydrogen-bonded Turntrans-73.8-11.5179.2-71.1168.9000113.9E671 W672 E673E671-L675 WeakPolarHBondContact O-CG 3.42Å; E671-L675 PolarHBondContact O-N 3.45Å; E671-L675 VanDerWaalsContact O-N 3.12Å; W672-L675 PolarHBondContact O-N 3.15Å; E673-L675 PolarHBondContact O-N 3.1Å
676K73.5Confident66.3Low149 Ų149132.6 Ų132.665%0.64868%0.681SS**THydrogen-bonded Turntrans-94.2-8.7179.6-82.2-172171.9-1750115.3E673 K674 P678E673-K676 PolarHBondContact O-N 3.36Å; E673-K676 VanDerWaalsContact O-N 3.07Å; K674-K676 VanDerWaalsContact C-N 3.25Å; K674-K676 PolarHBondContact O-N 3.45Å; K676-P678 WeakPolarHBondContact O-CD 3.5Å
677Q56.9Low64.9Low152 Ų152139.2 Ų139.271%0.7170%0.698SS**SBendtrans-84.7119.9178.1-65-152.69.300111.8
678P63.6Low63.9Low97 Ų97141.9 Ų141.963%0.6371%0.712SS**  trans-69.5148.8175.829.5-34.7000111K676 R680K676-P678 WeakPolarHBondContact O-CD 3.5Å; P678-R680 PolarHBondContact O-N 2.95Å
679P57.9Low63.2Low135 Ų135145.4 Ų145.488%0.87773%0.725SS**  trans-69.193.4-174.828.2-35.5000111.7S681P679-S681 PolarHBondContact O-N 3.26Å
680R51.5Low62.5Low235 Ų235144.5 Ų144.589%0.88774%0.735SS**  trans-71.8107.6174.6-76.7-173.3168.7-179.6-2.2110.4P678P678-R680 PolarHBondContact O-N 2.95Å
681S54.2Low62.2Low109 Ų109146.8 Ų146.876%0.76274%0.739SS**PPolyproline II helixtrans-58.8139.7172.447.70000111.8P679 P683P679-S681 PolarHBondContact O-N 3.26Å; S681-P683 VanDerWaalsContact O-CD 3.27Å; S681-P683 WeakPolarHBondContact O-CD 3.36Å
682N44.5Very low62.1Low163 Ų163145.3 Ų145.387%0.87274%0.738SS**PPolyproline II helixtrans-65120.4-179.9-67-62.7000111.7
683P56.6Low62.1Low101 Ų101143.9 Ų143.966%0.65674%0.742SS**PPolyproline II helixtrans-74.8126.2160.231.2-30.9000109.1S681 F685S681-P683 VanDerWaalsContact O-CD 3.27Å; S681-P683 WeakPolarHBondContact O-CD 3.36Å; P683-F685 PolarHBondContact O-N 2.93Å
684S43.2Very low62.3Low106 Ų106143.7 Ų143.774%0.74174%0.741SS**  trans-67.5101.2175.6-1760000110.5N686S684-N686 VanDerWaalsContact C-N 3.35Å; S684-N686 PolarHBondContact O-N 3.1Å
685F51.5Low62.5Low190 Ų190140.6 Ų140.683%0.83373%0.729SS**  trans-72.990.7171.9-107.1-85.7000109.9P683 R687P683-F685 PolarHBondContact O-N 2.93Å; F685-R687 PolarHBondContact O-N 3.35Å
686N51Low62.7Low135 Ų135137.5 Ų137.572%0.72271%0.712SS**  trans-57.5129.8171.9-93.1-46.2000110.2S684 T688S684-N686 VanDerWaalsContact C-N 3.35Å; S684-N686 PolarHBondContact O-N 3.1Å; N686-T688 VanDerWaalsContact C-N 3.27Å; N686-T688 PolarHBondContact O-N 3.34Å
687R47.1Very low63.1Low240 Ų240136.6 Ų136.691%0.90671%0.711SS**  trans-7770.3-168-163.5-176.2-163.6-179.66111.7F685 K689F685-R687 PolarHBondContact O-N 3.35Å; R687-K689 PolarHBondContact O-N 2.97Å
688T55.5Low64.4Low133 Ų133135.4 Ų135.482%0.81671%0.705SS**  trans-56.7110.7168.637.50000109N686 A690N686-T688 VanDerWaalsContact C-N 3.27Å; N686-T688 PolarHBondContact O-N 3.34Å; T688-A690 PolarHBondContact O-N 2.93Å
689K65.7Low65.1Low195 Ų195133.1 Ų133.185%0.84870%0.695SS**PPolyproline II helixtrans-63.4125.4175.8-63.6177.6-178.7177.40107.9R687 K691R687-K689 PolarHBondContact O-N 2.97Å; K689-K691 PolarHBondContact O-N 2.6Å
690A68Low65.9Low99 Ų99132.8 Ų132.882%0.81868%0.681SS**PPolyproline II helixtrans-61.4127.7166.400000108.3T688T688-A690 PolarHBondContact O-N 2.93Å
691K75.4Confident67Low125 Ų125125.6 Ų125.654%0.54367%0.667SS.*PPolyproline II helixtrans-63.2141171.9-66.5-163.1168.4-137.30109.3K689 E695 I696K689-K691 PolarHBondContact O-N 2.6Å; K691-E695 HydrophobicContact CB-CB 4.33Å; K691-E695 WeakPolarHBondContact CB-OE2 3.44Å; K691-E695 HydrophobicContact CD-CG 4.33Å; K691-E695 WeakPolarHBondContact CD-OE1 3.49Å; K691-E695 WeakPolarHBondContact CE-OE1 3.37Å; K691-E695 VanDerWaalsContact CG-OE2 3.3Å; K691-E695 WeakPolarHBondContact CG-OE2 3.46Å; K691-E695 IonicContact NZ-OE1 2.82Å; K691-E695 PolarHBondContact NZ-OE1 2.85Å; K691-I696 HydrophobicContact CB-CG1 4.37Å
692T79.4Confident67.8Low90 Ų90124.5 Ų124.555%0.55266%0.66SS**PPolyproline II helixtrans-70.1154.5170.846.10000109.8E694 E695 I696T692-E694 PolarHBondContact O-N 3.16Å; T692-E695 WeakPolarHBondContact O-CB 3.36Å; T692-E695 PolarHBondContact O-N 2.89Å; T692-I696 PolarHBondContact O-N 3.39Å
693L80.2Confident68.9Low140 Ų140126.5 Ų126.573%0.73366%0.655SS**Hα-helixtrans-60.6-34.3-177-164.4144.7000111.9E695 I696 E697L693-E695 VanDerWaalsContact C-N 3.35Å; L693-E695 PolarHBondContact O-N 2.91Å; L693-I696 WeakPolarHBondContact O-CB 3.02Å; L693-I696 PolarHBondContact O-N 3.19Å; L693-I696 VanDerWaalsContact O-N 3.15Å; L693-E697 PolarHBondContact O-N 2.99Å
694E81.7Confident69.2Low129 Ų129128.7 Ų128.760%0.60366%0.661SS**Hα-helixtrans-60-36170.9-175.1179.2-168.300113.7T692 I696 E697 Q698T692-E694 PolarHBondContact O-N 3.16Å; E694-I696 VanDerWaalsContact C-N 3.28Å; E694-I696 PolarHBondContact O-N 2.76Å; E694-E697 PolarHBondContact O-N 3.07Å; E694-Q698 WeakPolarHBondContact O-CG 3.47Å; E694-Q698 PolarHBondContact O-N 3.15Å; E694-Q698 VanDerWaalsContact O-N 3.1Å
695E80.5Confident70.1Confident83 Ų83130.9 Ų130.939%0.38866%0.664SS.*Hα-helixtrans-72.2-24.1176.8-159.5-164.1153.500111.8K691 T692 L693 A699K691-E695 HydrophobicContact CB-CB 4.33Å; K691-E695 WeakPolarHBondContact CB-OE2 3.44Å; K691-E695 HydrophobicContact CD-CG 4.33Å; K691-E695 WeakPolarHBondContact CD-OE1 3.49Å; K691-E695 WeakPolarHBondContact CE-OE1 3.37Å; K691-E695 VanDerWaalsContact CG-OE2 3.3Å; K691-E695 WeakPolarHBondContact CG-OE2 3.46Å; K691-E695 IonicContact NZ-OE1 2.82Å; K691-E695 PolarHBondContact NZ-OE1 2.85Å; T692-E695 WeakPolarHBondContact O-CB 3.36Å; T692-E695 PolarHBondContact O-N 2.89Å; L693-E695 VanDerWaalsContact C-N 3.35Å; L693-E695 PolarHBondContact O-N 2.91Å; E695-A699 WeakPolarHBondContact O-CB 3.35Å; E695-A699 PolarHBondContact O-N 3.02Å
696I79.6Confident70.7Confident81 Ų81128.8 Ų128.842%0.41566%0.66SS.*Hα-helixtrans-77.7-46.3173.6-59.2173000109.5K691 T692 L693 E694 Q698 A699 E700K691-I696 HydrophobicContact CB-CG1 4.37Å; T692-I696 PolarHBondContact O-N 3.39Å; L693-I696 WeakPolarHBondContact O-CB 3.02Å; L693-I696 PolarHBondContact O-N 3.19Å; L693-I696 VanDerWaalsContact O-N 3.15Å; E694-I696 VanDerWaalsContact C-N 3.28Å; E694-I696 PolarHBondContact O-N 2.76Å; I696-Q698 VanDerWaalsContact C-N 3.34Å; I696-Q698 PolarHBondContact O-N 3.48Å; I696-A699 WeakPolarHBondContact O-CA 3.41Å; I696-A699 WeakPolarHBondContact O-CB 3.31Å; I696-A699 PolarHBondContact O-N 3Å; I696-E700 PolarHBondContact O-N 2.89Å
697E81.8Confident71.1Confident131 Ų131132.1 Ų132.161%0.61267%0.669SS**Hα-helixtrans-60.5-40.2179.6-168.8170.3-171.200112.5L693 E694 A699 E700 S701L693-E697 PolarHBondContact O-N 2.99Å; E694-E697 PolarHBondContact O-N 3.07Å; E697-A699 VanDerWaalsContact C-N 3.34Å; E697-A699 PolarHBondContact O-N 2.86Å; E697-E700 PolarHBondContact O-N 3.44Å; E697-S701 WeakPolarHBondContact O-CB 3.34Å; E697-S701 PolarHBondContact O-N 3.48Å
698Q83.7Confident71.3Confident126 Ų126134.5 Ų134.559%0.58969%0.686SS**Hα-helixtrans-67-31.5173.1-68.3-178.123.600113.3E694 I696 S702E694-Q698 WeakPolarHBondContact O-CG 3.47Å; E694-Q698 PolarHBondContact O-N 3.15Å; E694-Q698 VanDerWaalsContact O-N 3.1Å; I696-Q698 VanDerWaalsContact C-N 3.34Å; I696-Q698 PolarHBondContact O-N 3.48Å; Q698-S702 PolarHBondContact O-N 3.41Å; Q698-S702 PolarHBondContact O-OG 2.8Å
699A77.9Confident72.1Confident50 Ų50134.6 Ų134.641%0.41368%0.68SS.*Hα-helixtrans-75.5-22.717700000113.4E695 I696 E697 S702E695-A699 WeakPolarHBondContact O-CB 3.35Å; E695-A699 PolarHBondContact O-N 3.02Å; I696-A699 WeakPolarHBondContact O-CA 3.41Å; I696-A699 WeakPolarHBondContact O-CB 3.31Å; I696-A699 PolarHBondContact O-N 3Å; E697-A699 VanDerWaalsContact C-N 3.34Å; E697-A699 PolarHBondContact O-N 2.86Å; A699-S702 PolarHBondContact O-OG 3.1Å
700E75.7Confident72.4Confident127 Ų127131.4 Ų131.459%0.59367%0.671SS**Hα-helixtrans-87.8-42.2173.5-66.9-172.2163.200111.7I696 E697 S702 R703I696-E700 PolarHBondContact O-N 2.89Å; E697-E700 PolarHBondContact O-N 3.44Å; E700-S702 PolarHBondContact O-N 3.23Å; E700-R703 PolarHBondContact O-N 3.35Å
701S73.9Confident72.7Confident84 Ų84133.2 Ų133.259%0.58766%0.663SS**Hα-helixtrans-56.6-36.8177-172.20000112.9E697 R703 N704E697-S701 WeakPolarHBondContact O-CB 3.34Å; E697-S701 PolarHBondContact O-N 3.48Å; S701-R703 PolarHBondContact O-N 3.38Å; S701-N704 PolarHBondContact O-N 3.34Å
702S70.3Confident72.5Confident87 Ų87133.6 Ų133.661%0.60867%0.67SS**THydrogen-bonded Turntrans-71.7-6.2177.947.60000115.5Q698 A699 E700Q698-S702 PolarHBondContact O-N 3.41Å; Q698-S702 PolarHBondContact O-OG 2.8Å; A699-S702 PolarHBondContact O-OG 3.1Å; E700-S702 PolarHBondContact O-N 3.23Å
703R68.1Low72.1Confident205 Ų205136.4 Ų136.477%0.77468%0.677SS**THydrogen-bonded Turntrans-93.6-18.5176-77.4-179.7162.5171.8-4114.7E700 S701 N705E700-R703 PolarHBondContact O-N 3.35Å; S701-R703 PolarHBondContact O-N 3.38Å; R703-N705 VanDerWaalsContact C-N 3.25Å; R703-N705 PolarHBondContact O-N 2.99Å
704N63Low71.5Confident146 Ų146136.1 Ų136.178%0.78167%0.673SS**SBendtrans-85.516.1-171.2-70.3-14.9000114.7S701S701-N704 PolarHBondContact O-N 3.34Å
705N62.2Low70.8Confident152 Ų152136.6 Ų136.681%0.81368%0.678SS**  trans-120.727.8-171.2-142.210.9000113.7R703R703-N705 VanDerWaalsContact C-N 3.25Å; R703-N705 PolarHBondContact O-N 2.99Å
706I63.9Low70.1Confident146 Ų146140.8 Ų140.875%0.74970%0.7SS**  trans-132.667.1176.2-50.1174.3000109.1
707F59.2Low69.3Low205 Ų205145.8 Ų145.890%0.89972%0.724SS**  trans-172.368160.2-98.5-58.8000111.3
708F51.5Low68.1Low290 Ų290147.1 Ų147.1100%1.27273%0.734SS**  trans-164.40149.2-106.1-65000110.2

Retrieved 708 of 708 residues in 83 ms (Link to these results)