A0A087WR39_MOUSE Loading...

Activating transcription factor 7 interacting protein

AlphaFold DB , UniProt , Accession A0A087WR39, Species MOUSE (Mus musculus, Mouse), Gene Atf7ip, Length 559 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.7Very low62.6Low221 Ų221148.2 Ų148.2100%1.08977%0.77SS**  092.50-86.6-173.17300105
2D46.3Very low63.3Low152 Ų152150.7 Ų150.781%0.81377%0.771SS**  trans-115.276.7-156.2-56.9-92.6000105.9V4D2-V4 PolarHBondContact O-N 2.9Å
3S52.3Low64.3Low114 Ų114154.3 Ų154.380%0.79778%0.778SS**  trans-71.680.9176.751.90000108.8E5S3-E5 VanDerWaalsContact C-N 3.27Å; S3-E5 PolarHBondContact O-N 3.2Å
4V58.4Low64.9Low130 Ų130150.4 Ų150.479%0.78878%0.781SS**  trans-71.890.1168-175.30000106.9D2 E6D2-V4 PolarHBondContact O-N 2.9Å; V4-E6 PolarHBondContact O-N 3.2Å
5E63.9Low65.9Low178 Ų178155.6 Ų155.683%0.83279%0.787SS**  trans-65.298.1172.4-174.2119.2-138.500108.4S3 P7S3-E5 VanDerWaalsContact C-N 3.27Å; S3-E5 PolarHBondContact O-N 3.2Å; E5-P7 WeakPolarHBondContact O-CD 3.35Å
6E70.4Confident66.9Low127 Ų127158.6 Ų158.659%0.59379%0.793SS**  trans-65.8122.4178.7-171.7178.2172.900109V4 Q8 K9V4-E6 PolarHBondContact O-N 3.2Å; E6-Q8 PolarHBondContact O-N 3.43Å; E6-Q8 VanDerWaalsContact O-N 3.09Å; E6-K9 IonicContact OE1-NZ 2.65Å; E6-K9 PolarHBondContact OE1-NZ 3.16Å
7P63.5Low67.8Low102 Ų102156 Ų15666%0.66279%0.787SS**  trans-64.6117.3-17725.3-33.7000109.8E5 K9E5-P7 WeakPolarHBondContact O-CD 3.35Å; P7-K9 PolarHBondContact O-N 2.99Å
8Q68.4Low69Low170 Ų170153.6 Ų153.679%0.79477%0.774SS**  trans-54.2107.9-177.1-67.6-179-800111.2E6 K10E6-Q8 PolarHBondContact O-N 3.43Å; E6-Q8 VanDerWaalsContact O-N 3.09Å; Q8-K10 PolarHBondContact O-N 3.01Å
9K70.8Confident70.3Confident159 Ų159154.7 Ų154.769%0.69177%0.769SS**  trans-70.689.2-179.9-68.6161.7-176.6150.10109.7E6 P7 V11E6-K9 IonicContact OE1-NZ 2.65Å; E6-K9 PolarHBondContact OE1-NZ 3.16Å; P7-K9 PolarHBondContact O-N 2.99Å; K9-V11 PolarHBondContact O-N 3.36Å
10K76.3Confident71.3Confident154 Ų154150.9 Ų150.967%0.6776%0.762SS**  trans-70.291.2178-66.1-176.4-178.4-178.20110.4Q8 F12Q8-K10 PolarHBondContact O-N 3.01Å; K10-F12 HydrophobicContact CB-CD2 4.28Å; K10-F12 HydrophobicContact CB-CE2 3.75Å; K10-F12 HydrophobicContact CB-CZ 4.37Å; K10-F12 VanDerWaalsContact O-CD2 3.24Å; K10-F12 WeakPolarHBondContact O-CD2 3.47Å; K10-F12 PolarHBondContact O-N 3.37Å; K10-F12 VanDerWaalsContact O-N 3.13Å
11V73.3Confident72.4Confident123 Ų123146.7 Ų146.775%0.74575%0.747SS**  trans-75.896.3176.2-177.50000109.8K9 K13K9-V11 PolarHBondContact O-N 3.36Å; V11-K13 PolarHBondContact O-N 3.11Å; V11-K13 VanDerWaalsContact O-N 3.14Å
12F71.5Confident74.9Confident178 Ų178137.9 Ų137.978%0.78170%0.704SS**  trans-76.296.5174.5-71.5-87000110.8K10 A14K10-F12 HydrophobicContact CB-CD2 4.28Å; K10-F12 HydrophobicContact CB-CE2 3.75Å; K10-F12 HydrophobicContact CB-CZ 4.37Å; K10-F12 VanDerWaalsContact O-CD2 3.24Å; K10-F12 WeakPolarHBondContact O-CD2 3.47Å; K10-F12 PolarHBondContact O-N 3.37Å; K10-F12 VanDerWaalsContact O-N 3.13Å; F12-A14 PolarHBondContact O-N 2.65Å
13K75.9Confident77.2Confident198 Ų198138 Ų13886%0.86169%0.693SS**  trans-67.592.8169.5-80.1-166.8171.8-170.10110.5V11 R15V11-K13 PolarHBondContact O-N 3.11Å; V11-K13 VanDerWaalsContact O-N 3.14Å; K13-R15 PolarHBondContact O-N 2.96Å; K13-R15 VanDerWaalsContact O-N 3.1Å
14A72.8Confident79.3Confident99 Ų99138.9 Ų138.982%0.81869%0.685SS**  trans-72.796.6175.100000111.2F12 K16F12-A14 PolarHBondContact O-N 2.65Å; A14-K16 PolarHBondContact O-N 3.09Å
15R79.9Confident81Confident229 Ų229138.5 Ų138.586%0.86467%0.674SS**  trans-70.2100.8174.4-171.8179.5-1701745.5110.1K13 T17K13-R15 PolarHBondContact O-N 2.96Å; K13-R15 VanDerWaalsContact O-N 3.1Å; R15-T17 PolarHBondContact O-N 3.42Å; R15-T17 VanDerWaalsContact O-N 3.14Å
16K82.8Confident82.6Confident203 Ų203133.7 Ų133.788%0.88365%0.654SS**  trans-66.1109.2173.6-173.2177.2-178.5-1790110.1A14A14-K16 PolarHBondContact O-N 3.09Å
17T82.1Confident83.7Confident115 Ų115131.5 Ų131.571%0.70665%0.646SS**PPolyproline II helixtrans-85.5139.1168.3470000109.9R15R15-T17 PolarHBondContact O-N 3.42Å; R15-T17 VanDerWaalsContact O-N 3.14Å
18M89.1Confident85.2Confident112 Ų112129.1 Ų129.155%0.55264%0.635SS**PPolyproline II helixtrans-68.7150165.2-99.6-165.2-66.900109.9D22 R23 L26M18-D22 HydrophobicContact CB-CB 4.33Å; M18-D22 HydrophobicContact CG-CB 4.05Å; M18-D22 HydrophobicContact SD-CB 3.89Å; M18-R23 HydrophobicContact CE-CB 4.46Å; M18-L26 HydrophobicContact CE-CD2 4.28Å
19R92.7Very high86.6Confident176 Ų176125.4 Ų125.466%0.66462%0.624SS**PPolyproline II helixtrans-72.6153.9167.9-52.5172-64.9-179.56.5108.7S21 D22 R23R19-S21 PolarHBondContact O-N 3.08Å; R19-D22 WeakPolarHBondContact CB-OD2 3.34Å; R19-D22 WeakPolarHBondContact CG-OD2 3.44Å; R19-D22 IonicContact CZ-OD1 3.81Å; R19-D22 VanDerWaalsContact CZ-OD1 3.25Å; R19-D22 IonicContact CZ-OD2 2.66Å; R19-D22 PolarHBondContact N-OD2 3.18Å; R19-D22 IonicContact NE-OD1 3.8Å; R19-D22 PolarHBondContact NE-OD1 3.26Å; R19-D22 IonicContact NE-OD2 2.94Å; R19-D22 PolarHBondContact NE-OD2 3.38Å; R19-D22 IonicContact NH2-OD1 3.25Å; R19-D22 PolarHBondContact NH2-OD1 3Å; R19-D22 IonicContact NH2-OD2 3.18Å; R19-D22 WeakPolarHBondContact O-CB 3.34Å; R19-D22 PolarHBondContact O-N 3.15Å; R19-D22 VanDerWaalsContact O-N 3.09Å; R19-R23 PolarHBondContact O-N 3.07Å; R19-R23 VanDerWaalsContact O-N 3.09Å
20A91.4Very high87.8Confident77 Ų77123 Ų12364%0.63662%0.615SS**Hα-helixtrans-57.4-36.1-179.700000112.8R23 Q24A20-R23 PolarHBondContact O-N 3.02Å; A20-Q24 WeakPolarHBondContact O-CG 3.02Å; A20-Q24 PolarHBondContact O-N 3.33Å
21S94.4Very high88.6Confident63 Ų63124 Ų12444%0.44162%0.615SS.*Hα-helixtrans-66.8-42.7175.5-176.70000112.6R19 R23 Q24 Q25R19-S21 PolarHBondContact O-N 3.08Å; S21-R23 VanDerWaalsContact C-N 3.28Å; S21-R23 PolarHBondContact O-N 2.94Å; S21-Q24 PolarHBondContact O-N 2.91Å; S21-Q25 WeakPolarHBondContact O-CG 3.49Å; S21-Q25 PolarHBondContact O-N 2.88Å
22D96.1Very high89.6Confident37 Ų37122.6 Ų122.620%0.19861%0.606CS.*Hα-helixtrans-59.8-41.6176.5-46.5-27.6000110.5M18 R19 Q25 L26M18-D22 HydrophobicContact CB-CB 4.33Å; M18-D22 HydrophobicContact CG-CB 4.05Å; M18-D22 HydrophobicContact SD-CB 3.89Å; R19-D22 WeakPolarHBondContact CB-OD2 3.34Å; R19-D22 WeakPolarHBondContact CG-OD2 3.44Å; R19-D22 IonicContact CZ-OD1 3.81Å; R19-D22 VanDerWaalsContact CZ-OD1 3.25Å; R19-D22 IonicContact CZ-OD2 2.66Å; R19-D22 PolarHBondContact N-OD2 3.18Å; R19-D22 IonicContact NE-OD1 3.8Å; R19-D22 PolarHBondContact NE-OD1 3.26Å; R19-D22 IonicContact NE-OD2 2.94Å; R19-D22 PolarHBondContact NE-OD2 3.38Å; R19-D22 IonicContact NH2-OD1 3.25Å; R19-D22 PolarHBondContact NH2-OD1 3Å; R19-D22 IonicContact NH2-OD2 3.18Å; R19-D22 WeakPolarHBondContact O-CB 3.34Å; R19-D22 PolarHBondContact O-N 3.15Å; R19-D22 VanDerWaalsContact O-N 3.09Å; D22-Q25 PolarHBondContact O-N 3.49Å; D22-L26 PolarHBondContact O-N 3Å
23R95.3Very high90.7Very high155 Ų155120.5 Ų120.559%0.58560%0.597SS**Hα-helixtrans-65.7-44.7175.2-177.2176.8179163.54.8112.4M18 R19 A20 S21 Q25 L26 D27M18-R23 HydrophobicContact CE-CB 4.46Å; R19-R23 PolarHBondContact O-N 3.07Å; R19-R23 VanDerWaalsContact O-N 3.09Å; A20-R23 PolarHBondContact O-N 3.02Å; S21-R23 VanDerWaalsContact C-N 3.28Å; S21-R23 PolarHBondContact O-N 2.94Å; R23-Q25 VanDerWaalsContact C-N 3.27Å; R23-Q25 PolarHBondContact O-N 2.91Å; R23-L26 WeakPolarHBondContact O-CB 3.48Å; R23-L26 PolarHBondContact O-N 3.05Å; R23-L26 VanDerWaalsContact O-N 3.15Å; R23-D27 IonicContact NE-OD2 3.87Å; R23-D27 VanDerWaalsContact O-CG 3.3Å; R23-D27 PolarHBondContact O-N 3Å
24Q95.6Very high91.4Very high132 Ų132112.9 Ų112.962%0.61757%0.574SS**Hα-helixtrans-61.5-35.3176.4-76.1171.4-23.600112.4A20 S21 A28A20-Q24 WeakPolarHBondContact O-CG 3.02Å; A20-Q24 PolarHBondContact O-N 3.33Å; S21-Q24 PolarHBondContact O-N 2.91Å; Q24-A28 WeakPolarHBondContact O-CB 3.46Å; Q24-A28 PolarHBondContact O-N 3.26Å
25Q95.7Very high92.1Very high122 Ų122113.8 Ų113.857%0.5756%0.561SS**Hα-helixtrans-66.3-43.4172.9-72.5175.2-20.700111.5S21 D22 R23 A28 V29S21-Q25 WeakPolarHBondContact O-CG 3.49Å; S21-Q25 PolarHBondContact O-N 2.88Å; D22-Q25 PolarHBondContact O-N 3.49Å; R23-Q25 VanDerWaalsContact C-N 3.27Å; R23-Q25 PolarHBondContact O-N 2.91Å; Q25-A28 PolarHBondContact O-N 3.11Å; Q25-V29 WeakPolarHBondContact O-CG2 3.4Å; Q25-V29 PolarHBondContact O-N 3.39Å
26L95.8Very high92.4Very high77 Ų77107.5 Ų107.540%0.40355%0.545SS..Hα-helixtrans-60.4-48.6174.2-165.784.6000111.8M18 D22 R23 A28 V29 H30M18-L26 HydrophobicContact CE-CD2 4.28Å; D22-L26 PolarHBondContact O-N 3Å; R23-L26 WeakPolarHBondContact O-CB 3.48Å; R23-L26 PolarHBondContact O-N 3.05Å; R23-L26 VanDerWaalsContact O-N 3.15Å; L26-A28 VanDerWaalsContact C-N 3.27Å; L26-A28 PolarHBondContact O-N 3.08Å; L26-V29 PolarHBondContact O-N 3.31Å; L26-H30 WeakPolarHBondContact O-CB 3.35Å; L26-H30 PolarHBondContact O-CD2 3.09Å; L26-H30 VanDerWaalsContact O-CD2 3.28Å; L26-H30 PolarHBondContact O-N 3.21Å
27D95.2Very high92.3Very high80 Ų80103 Ų10343%0.42853%0.53SS..Hα-helixtrans-62.1-34.4179.6-67.4-26.7000111.6R23 R31R23-D27 IonicContact NE-OD2 3.87Å; R23-D27 VanDerWaalsContact O-CG 3.3Å; R23-D27 PolarHBondContact O-N 3Å; D27-R31 WeakPolarHBondContact O-CB 3.32Å; D27-R31 PolarHBondContact O-N 3.06Å
28A95.4Very high92Very high52 Ų52106.3 Ų106.343%0.4353%0.529SS..Hα-helixtrans-69.3-44.5173.400000112.6Q24 Q25 L26 H30 R31 V32Q24-A28 WeakPolarHBondContact O-CB 3.46Å; Q24-A28 PolarHBondContact O-N 3.26Å; Q25-A28 PolarHBondContact O-N 3.11Å; L26-A28 VanDerWaalsContact C-N 3.27Å; L26-A28 PolarHBondContact O-N 3.08Å; A28-H30 VanDerWaalsContact C-N 3.33Å; A28-H30 PolarHBondContact O-N 2.91Å; A28-R31 PolarHBondContact O-N 3.45Å; A28-V32 WeakPolarHBondContact O-CG2 3.48Å; A28-V32 PolarHBondContact O-N 3.34Å
29V96.3Very high91.2Very high93 Ų93103 Ų10356%0.56452%0.519SS*.Hα-helixtrans-61.9-41.4174.4169.90000110.9Q25 L26 R31 V32 K33Q25-V29 WeakPolarHBondContact O-CG2 3.4Å; Q25-V29 PolarHBondContact O-N 3.39Å; L26-V29 PolarHBondContact O-N 3.31Å; V29-R31 PolarHBondContact O-N 3.15Å; V29-V32 PolarHBondContact O-N 3.33Å; V29-K33 VanDerWaalsContact O-CB 3.31Å; V29-K33 WeakPolarHBondContact O-CB 3.24Å; V29-K33 PolarHBondContact O-N 3Å
30H95.4Very high89.9Confident108 Ų10898.1 Ų98.150%0.551%0.507SS..Hα-helixtrans-64.1-39177-78.9-148.9000112L26 A28 G34L26-H30 WeakPolarHBondContact O-CB 3.35Å; L26-H30 PolarHBondContact O-CD2 3.09Å; L26-H30 VanDerWaalsContact O-CD2 3.28Å; L26-H30 PolarHBondContact O-N 3.21Å; A28-H30 VanDerWaalsContact C-N 3.33Å; A28-H30 PolarHBondContact O-N 2.91Å; H30-G34 PolarHBondContact O-N 2.87Å
31R94.7Very high88.4Confident175 Ų17596.4 Ų96.466%0.6650%0.496SS*.Hα-helixtrans-61.3-52.2172.8-176.7-176-57.9-129.5-1.7111.8D27 A28 V29 K33 G34 E35D27-R31 WeakPolarHBondContact O-CB 3.32Å; D27-R31 PolarHBondContact O-N 3.06Å; A28-R31 PolarHBondContact O-N 3.45Å; V29-R31 PolarHBondContact O-N 3.15Å; R31-K33 VanDerWaalsContact C-N 3.32Å; R31-K33 PolarHBondContact O-N 3.22Å; R31-G34 PolarHBondContact O-N 3.15Å; R31-G34 VanDerWaalsContact O-N 3.11Å; R31-E35 VanDerWaalsContact CG-OE1 3.25Å; R31-E35 WeakPolarHBondContact CG-OE1 2.95Å; R31-E35 WeakPolarHBondContact O-CG 3.34Å; R31-E35 PolarHBondContact O-N 3.33Å
32V94.6Very high86.7Confident94 Ų9499.4 Ų99.457%0.5750%0.501SS*.Hα-helixtrans-61.4-40.8180173.70000111.2A28 V29 E35 L36A28-V32 WeakPolarHBondContact O-CG2 3.48Å; A28-V32 PolarHBondContact O-N 3.34Å; V29-V32 PolarHBondContact O-N 3.33Å; V32-E35 PolarHBondContact O-N 3.02Å; V32-L36 WeakPolarHBondContact O-CB 3.41Å; V32-L36 PolarHBondContact O-N 2.92Å
33K92.9Very high84.9Confident134 Ų134104.6 Ų104.658%0.58353%0.528SS*.Hα-helixtrans-60.6-43.4173.2179.7179.3175.2-178.90112V29 R31 L36 L37V29-K33 VanDerWaalsContact O-CB 3.31Å; V29-K33 WeakPolarHBondContact O-CB 3.24Å; V29-K33 PolarHBondContact O-N 3Å; R31-K33 VanDerWaalsContact C-N 3.32Å; R31-K33 PolarHBondContact O-N 3.22Å; K33-L36 PolarHBondContact O-N 3.32Å; K33-L37 HydrophobicContact CG-CD1 4.01Å; K33-L37 WeakPolarHBondContact O-CB 3.49Å; K33-L37 VanDerWaalsContact O-CG 3.3Å; K33-L37 WeakPolarHBondContact O-CG 3.24Å; K33-L37 PolarHBondContact O-N 3.29Å
34G91.4Very high82.9Confident38 Ų38104.6 Ų104.639%0.39254%0.539SS..Hα-helixtrans-65.8-38.4176.300000113.2H30 R31 R38H30-G34 PolarHBondContact O-N 2.87Å; R31-G34 PolarHBondContact O-N 3.15Å; R31-G34 VanDerWaalsContact O-N 3.11Å; G34-R38 WeakPolarHBondContact O-CB 3.42Å; G34-R38 PolarHBondContact O-N 3.13Å
35E87.3Confident80.8Confident117 Ų117104.1 Ų104.155%0.54754%0.54SS..Hα-helixtrans-67.9-39.7175.4-73.4173.5-160.400112.1R31 V32 R38 A39R31-E35 VanDerWaalsContact CG-OE1 3.25Å; R31-E35 WeakPolarHBondContact CG-OE1 2.95Å; R31-E35 WeakPolarHBondContact O-CG 3.34Å; R31-E35 PolarHBondContact O-N 3.33Å; V32-E35 PolarHBondContact O-N 3.02Å; E35-R38 CarbonylContact O-C 3.53Å; E35-R38 PolarHBondContact O-N 3.14Å; E35-A39 PolarHBondContact O-N 3.38Å
36L85.4Confident78.8Confident98 Ų98102 Ų10251%0.51355%0.552SS.*Hα-helixtrans-64.5-51.6174.217960.7000111.9V32 K33 R38 A39 D40V32-L36 WeakPolarHBondContact O-CB 3.41Å; V32-L36 PolarHBondContact O-N 2.92Å; K33-L36 PolarHBondContact O-N 3.32Å; L36-R38 PolarHBondContact O-N 2.95Å; L36-A39 CarbonylContact O-C 3.59Å; L36-A39 WeakPolarHBondContact O-CA 2.78Å; L36-A39 VanDerWaalsContact O-CB 3.32Å; L36-A39 WeakPolarHBondContact O-CB 3.39Å; L36-A39 PolarHBondContact O-N 2.96Å; L36-D40 WeakPolarHBondContact CD1-OD2 3.32Å; L36-D40 PolarHBondContact O-N 3.02Å
37L81.1Confident76.6Confident108 Ų108103 Ų10357%0.56557%0.565SS**Hα-helixtrans-59.2-34.7175.7-70.6169000112K33 A39 G41K33-L37 HydrophobicContact CG-CD1 4.01Å; K33-L37 WeakPolarHBondContact O-CB 3.49Å; K33-L37 VanDerWaalsContact O-CG 3.3Å; K33-L37 WeakPolarHBondContact O-CG 3.24Å; K33-L37 PolarHBondContact O-N 3.29Å; L37-A39 VanDerWaalsContact C-N 3.3Å; L37-G41 PolarHBondContact O-N 3.48Å
38R76.1Confident74.3Confident185 Ų185106.8 Ų106.870%0.69858%0.58SS**Hα-helixtrans-74.6-14.6172.7-176.1171.2174.9-93.3-1.8113.1G34 E35 L36 K42G34-R38 WeakPolarHBondContact O-CB 3.42Å; G34-R38 PolarHBondContact O-N 3.13Å; E35-R38 CarbonylContact O-C 3.53Å; E35-R38 PolarHBondContact O-N 3.14Å; L36-R38 PolarHBondContact O-N 2.95Å; R38-K42 WeakPolarHBondContact O-CE 3.19Å; R38-K42 WeakPolarHBondContact O-CG 3.47Å; R38-K42 PolarHBondContact O-NZ 3.33Å
39A73.1Confident73Confident41 Ų41113.1 Ų113.134%0.33960%0.6SS.*Hα-helixtrans-84.6-52.816900000110.5E35 L36 L37 G41 K42E35-A39 PolarHBondContact O-N 3.38Å; L36-A39 CarbonylContact O-C 3.59Å; L36-A39 WeakPolarHBondContact O-CA 2.78Å; L36-A39 VanDerWaalsContact O-CB 3.32Å; L36-A39 WeakPolarHBondContact O-CB 3.39Å; L36-A39 PolarHBondContact O-N 2.96Å; L37-A39 VanDerWaalsContact C-N 3.3Å; A39-G41 VanDerWaalsContact C-N 3.31Å; A39-G41 PolarHBondContact O-N 3.14Å; A39-K42 WeakPolarHBondContact O-CB 3.49Å; A39-K42 PolarHBondContact O-N 3.14Å
40D64.2Low70.8Confident75 Ų75115.6 Ų115.640%0.40161%0.61SS.*Hα-helixtrans-63.5-36.9-177.1-59.6-26.4000111.9L36 K42 L43 L44L36-D40 WeakPolarHBondContact CD1-OD2 3.32Å; L36-D40 PolarHBondContact O-N 3.02Å; D40-K42 PolarHBondContact O-N 3.08Å; D40-K42 VanDerWaalsContact O-N 3.1Å; D40-L43 PolarHBondContact O-N 3.31Å; D40-L44 PolarHBondContact O-N 3.34Å
41G59.8Low68.8Low40 Ų40113.7 Ų113.741%0.41262%0.62SS.*Hα-helixtrans-60-17.8172.200000114.6L37 A39 N45L37-G41 PolarHBondContact O-N 3.48Å; A39-G41 VanDerWaalsContact C-N 3.31Å; A39-G41 PolarHBondContact O-N 3.14Å; G41-N45 WeakPolarHBondContact O-CB 3.48Å
42K59.8Low67.1Low127 Ų127113 Ų11355%0.55263%0.629SS**Hα-helixtrans-87.2-22.4171.6-53.7-175.8-168.890.80113R38 A39 D40R38-K42 WeakPolarHBondContact O-CE 3.19Å; R38-K42 WeakPolarHBondContact O-CG 3.47Å; R38-K42 PolarHBondContact O-NZ 3.33Å; A39-K42 WeakPolarHBondContact O-CB 3.49Å; A39-K42 PolarHBondContact O-N 3.14Å; D40-K42 PolarHBondContact O-N 3.08Å; D40-K42 VanDerWaalsContact O-N 3.1Å
43L58.4Low64.9Low146 Ų146116.4 Ų116.476%0.76464%0.644SS**Hα-helixtrans-86.4-29.4177.1-59.3178.9000111.3D40D40-L43 PolarHBondContact O-N 3.31Å
44L53.7Low62.9Low154 Ų154115.9 Ų115.981%0.80665%0.647SS**Hα-helixtrans-76.6-26.9173.6-170.359.6000112.8D40 G46D40-L44 PolarHBondContact O-N 3.34Å; L44-G46 PolarHBondContact O-N 3.35Å
45N51.6Low60.9Low122 Ų122120 Ų12065%0.65267%0.667SS**  trans-81.567.9177.8-128.273.6000111.5G41 S47G41-N45 WeakPolarHBondContact O-CB 3.48Å; N45-S47 PolarHBondContact O-N 3.32Å
46G53.2Low59Low78 Ų78119.4 Ų119.480%0.80467%0.671SS**  trans-69.555.6-179.700000115L44L44-G46 PolarHBondContact O-N 3.35Å
47S48.8Very low56.9Low97 Ų97120.1 Ų120.168%0.67869%0.685SS**  trans-78.3116.7170.355.10000110.3N45 E49N45-S47 PolarHBondContact O-N 3.32Å; S47-E49 PolarHBondContact O-N 3.21Å
48H46.8Very low55.3Low160 Ų160121.2 Ų121.274%0.74170%0.698SS**  trans-47.1121-176.6-167.8-38.5000113.4N50H48-N50 PolarHBondContact CE1-ND2 3.48Å; H48-N50 PolarHBondContact O-N 2.94Å
49E68.3Low54Low185 Ų185120.4 Ų120.486%0.86471%0.707SS**  trans-64.9113.4168.7179.4-177.6113.800109.4S47S47-E49 PolarHBondContact O-N 3.21Å
50N50.5Low52.8Low145 Ų145126.8 Ų126.878%0.77573%0.73SS**  trans-171.9116.2163.6-106.9-27000110.8H48H48-N50 PolarHBondContact CE1-ND2 3.48Å; H48-N50 PolarHBondContact O-N 2.94Å
51G53.3Low51.3Low68 Ų68130.9 Ų130.970%0.70175%0.752SS**SBendtrans100.394.6165.400000116.4
52D58.3Low51Low160 Ų160135.6 Ų135.686%0.85677%0.772SS**  trans40.993.4140.9-153.720.4000118.4
53L48.8Very low50.1Low167 Ų167136.2 Ų136.287%0.87478%0.782SS**  trans-108.590168.1-67.6-179.8000110.8
54D51.2Low48.9Very low122 Ų122135.3 Ų135.365%0.65279%0.786SS**  trans-62.5121.9165-170.213.5000109.1T56D54-T56 PolarHBondContact O-N 3.27Å
55P50.1Low48.2Very low124 Ų124134.1 Ų134.181%0.80578%0.779SS**SBendtrans-76.441.5-167.931.6-38.6000114.6
56T46.9Very low48Very low105 Ų105136.6 Ų136.664%0.64479%0.787SS**  trans-137.264.9179.160.20000114D54D54-T56 PolarHBondContact O-N 3.27Å
57S41.7Very low47.1Very low114 Ų114139.8 Ų139.880%0.79779%0.786SS**  trans-156.8146.3147.8-81.70000111.9
58P45.9Very low47.1Very low130 Ų130143.9 Ų143.984%0.84479%0.786SS**  trans-69.1165.2172.8-18.833.4000113.7
59L49.5Very low46.7Very low168 Ų168144.5 Ų144.588%0.8879%0.789SS**  trans-79.5178.7174.4-68.8166.9000112.4
60E48.1Very low45.9Very low176 Ų176142.4 Ų142.482%0.82278%0.78SS**  trans8769.4154-148.4168.214400117.9
61N33.4Very low45.6Very low161 Ų161140.9 Ų140.986%0.86178%0.776SS**  trans-118.892.6161.6-65.8-19000110
62T52.2Low45.2Very low138 Ų138145.1 Ų145.185%0.84778%0.782SS**  trans-103.447.1169.353.40000112.1C64T62-C64 PolarHBondContact O-N 2.82Å
63D40.8Very low44.4Very low141 Ų141141 Ų14175%0.75478%0.777SS**  trans-100.372.4179-133.7-26.9000110.4I65D63-I65 VanDerWaalsContact C-N 3.34Å; D63-I65 PolarHBondContact O-N 3.26Å; D63-I65 VanDerWaalsContact O-N 3.12Å
64C33.8Very low44.1Very low126 Ų126141.4 Ų141.485%0.85178%0.778SS**  trans-81.281.2173-74.50000109.8T62 Q66T62-C64 PolarHBondContact O-N 2.82Å; C64-Q66 PolarHBondContact O-N 3.35Å
65I40.1Very low43.8Very low129 Ų129143.8 Ų143.866%0.66279%0.791SS**  trans-55113.2175.4-62.8178000109.3D63 D67D63-I65 VanDerWaalsContact C-N 3.34Å; D63-I65 PolarHBondContact O-N 3.26Å; D63-I65 VanDerWaalsContact O-N 3.12Å; I65-D67 HydrophobicContact CG2-CB 4.38Å; I65-D67 PolarHBondContact O-N 2.86Å
66Q45.9Very low43.1Very low175 Ų175140.4 Ų140.482%0.81878%0.779SS**  trans-78.471.9176.1-168.7-17516.500110C64 R68C64-Q66 PolarHBondContact O-N 3.35Å; Q66-R68 PolarHBondContact O-N 3.35Å
67D34.7Very low42.6Very low145 Ų145142.4 Ų142.478%0.77578%0.784SS**  trans-71.779175.5-115.1-21.9000110.5I65 E69I65-D67 HydrophobicContact CG2-CB 4.38Å; I65-D67 PolarHBondContact O-N 2.86Å; D67-E69 PolarHBondContact O-N 3.19Å
68R48.4Very low42.5Very low182 Ų182142.3 Ų142.369%0.68778%0.783SS**  trans-74.671.1173.8-176.8-166169.3153.4-4.8109.3Q66 E70Q66-R68 PolarHBondContact O-N 3.35Å; R68-E70 HydrophobicContact CG-CG 4.01Å; R68-E70 IonicContact CZ-OE1 2.91Å; R68-E70 IonicContact NE-OE1 3Å; R68-E70 PolarHBondContact NE-OE1 3.17Å; R68-E70 IonicContact NH2-OE1 2.69Å; R68-E70 PolarHBondContact NH2-OE1 3.08Å; R68-E70 PolarHBondContact O-N 3.32Å; R68-E70 VanDerWaalsContact O-N 3.08Å
69E39.9Very low42Very low173 Ų173144.1 Ų144.181%0.80878%0.778SS**  trans-7696.7173.5-158.9172.9-148.500110.2D67 V71D67-E69 PolarHBondContact O-N 3.19Å; E69-V71 HydrophobicContact CG-CG2 4.22Å; E69-V71 PolarHBondContact O-N 3.11Å
70E51.2Low41.2Very low142 Ų142144 Ų14466%0.66477%0.773SS**  trans-72.587-174-61.4-163.3122.300113.1R68R68-E70 HydrophobicContact CG-CG 4.01Å; R68-E70 IonicContact CZ-OE1 2.91Å; R68-E70 IonicContact NE-OE1 3Å; R68-E70 PolarHBondContact NE-OE1 3.17Å; R68-E70 IonicContact NH2-OE1 2.69Å; R68-E70 PolarHBondContact NH2-OE1 3.08Å; R68-E70 PolarHBondContact O-N 3.32Å; R68-E70 VanDerWaalsContact O-N 3.08Å
71V43.9Very low40.7Very low113 Ų113141.8 Ų141.869%0.68578%0.776SS**  trans-122.791.8177-1710000113E69E69-V71 HydrophobicContact CG-CG2 4.22Å; E69-V71 PolarHBondContact O-N 3.11Å
72N44.3Very low40.8Very low157 Ų157141.7 Ų141.784%0.8477%0.771SS**  trans48.469.7150.4-66.6-8.6000119.3
73G42.5Very low40Very low73 Ų73143.7 Ų143.775%0.75377%0.771SS**  73.4113.7118.700000120.5
74I42.1Very low39.8Very low175 Ų175141.6 Ų141.690%0.89777%0.767SS**  trans-123.7162.2130.153.1170.8000108.9
75D44Very low39.7Very low172 Ų172141.4 Ų141.492%0.9276%0.762SS**  trans-113.9149.9-173.6-168.510.1000110.9
76G35.2Very low39.6Very low54 Ų54140.6 Ų140.656%0.55776%0.763SS**  trans80.3151.6-168.900000113.8
77I36.7Very low38.9Very low146 Ų146139.3 Ų139.375%0.74976%0.757SS**  cis-141.4143.912.535.3179.1000111.3F79I77-F79 HydrophobicContact CD1-CD2 4.35Å; I77-F79 HydrophobicContact CD1-CE2 3.93Å; I77-F79 PolarHBondContact O-N 3.43Å
78C39.7Very low39Very low113 Ų113144 Ų14476%0.76476%0.764SS**  trans-72.8120.8169.4176.80000109.7
79F36.3Very low38.4Very low168 Ų168143.1 Ų143.174%0.73777%0.765SS**  trans-111.3130.8154-92.8-87.3000108.2I77I77-F79 HydrophobicContact CD1-CD2 4.35Å; I77-F79 HydrophobicContact CD1-CE2 3.93Å; I77-F79 PolarHBondContact O-N 3.43Å
80Q31.1Very low38.3Very low166 Ų166143.9 Ų143.978%0.77677%0.769SS**  trans-80.5134165.9-63.8-179-500106.8E82Q80-E82 PolarHBondContact O-N 3.08Å; Q80-E82 VanDerWaalsContact O-N 3.08Å
81S38.8Very low37.8Very low129 Ų129142.9 Ų142.990%0.90277%0.773SS**  trans-75.1100171.7-1670000108
82E34.3Very low37.4Very low159 Ų159142.5 Ų142.574%0.74377%0.772SS**  trans-66.7139.6173.456.7-157.79500111.3Q80 S84Q80-E82 PolarHBondContact O-N 3.08Å; Q80-E82 VanDerWaalsContact O-N 3.08Å; E82-S84 PolarHBondContact O-N 2.76Å; E82-S84 VanDerWaalsContact O-N 3.11Å
83E35.7Very low36.9Very low180 Ų180140.9 Ų140.984%0.84177%0.772SS**  trans-76.294.9178.9-175.9-174.8114.700109.4T85E83-T85 PolarHBondContact O-N 2.77Å
84S36.3Very low36.8Very low96 Ų96144.1 Ų144.167%0.67177%0.769SS**  trans-87.393.5177.261.10000111.1E82 T86E82-S84 PolarHBondContact O-N 2.76Å; E82-S84 VanDerWaalsContact O-N 3.11Å; S84-T86 PolarHBondContact O-N 2.96Å
85T32.5Very low36.6Very low122 Ų122141.2 Ų141.275%0.74876%0.761SS**  trans-65.6106.5169.637.80000110.7E83 E87E83-T85 PolarHBondContact O-N 2.77Å; T85-E87 PolarHBondContact O-N 2.95Å
86T37.3Very low36.1Very low112 Ų112140.6 Ų140.669%0.68776%0.758SS**  trans-84.693.4-177.137.40000112.5S84 W88S84-T86 PolarHBondContact O-N 2.96Å; T86-W88 PolarHBondContact O-N 3.16Å
87E32.7Very low36.1Very low149 Ų149144.1 Ų144.170%0.69677%0.769SS**  trans-44.9118.3165.8-177.5-168.215000112.3T85 K89T85-E87 PolarHBondContact O-N 2.95Å; E87-K89 HydrophobicContact CG-CG 4.41Å; E87-K89 PolarHBondContact O-N 3.3Å; E87-K89 WeakPolarHBondContact OE1-CE 3.45Å; E87-K89 WeakPolarHBondContact OE1-CG 3.3Å; E87-K89 IonicContact OE1-NZ 3.88Å
88W37.2Very low36Very low242 Ų242141.9 Ų141.992%0.91777%0.772SS**  trans-84.596.1175.3-67.6-0.6000110.8T86 E90T86-W88 PolarHBondContact O-N 3.16Å; W88-E90 PolarHBondContact O-N 3.45Å; W88-E90 VanDerWaalsContact O-N 3.08Å
89K35.1Very low35.8Very low164 Ų164142 Ų14271%0.71377%0.769SS**  trans-76.889.2171-76.4-165.5176.6-175.50112.2E87 T91E87-K89 HydrophobicContact CG-CG 4.41Å; E87-K89 PolarHBondContact O-N 3.3Å; E87-K89 WeakPolarHBondContact OE1-CE 3.45Å; E87-K89 WeakPolarHBondContact OE1-CG 3.3Å; E87-K89 IonicContact OE1-NZ 3.88Å; K89-T91 PolarHBondContact O-N 3.47Å; K89-T91 PolarHBondContact O-OG1 3.08Å
90E38.2Very low35.8Very low190 Ų190143.2 Ų143.289%0.88877%0.774SS**  trans-63.7130.1165-165.9170-169.800110.1W88W88-E90 PolarHBondContact O-N 3.45Å; W88-E90 VanDerWaalsContact O-N 3.08Å
91T39.4Very low36Very low121 Ų121142.7 Ų142.774%0.74278%0.776SS**  trans-118.3107.1-173.8-57.30000110.2K89 C93K89-T91 PolarHBondContact O-N 3.47Å; K89-T91 PolarHBondContact O-OG1 3.08Å; T91-C93 PolarHBondContact O-N 3.29Å
92P36.8Very low35.8Very low105 Ų105145 Ų14568%0.68277%0.77SS**  trans-68.5119.6-177-21.833.9000112.8M94P92-M94 PolarHBondContact O-N 3.23Å
93C32.6Very low35.6Very low122 Ų122146.7 Ų146.782%0.82478%0.778SS**  trans-82.7106.6176.9-1710000111.3T91T91-C93 PolarHBondContact O-N 3.29Å
94M40.8Very low35.5Very low142 Ų142146.4 Ų146.470%0.778%0.777SS**  trans-90.4125.1175.7-75.6-69.1108.200112P92 N96P92-M94 PolarHBondContact O-N 3.23Å; M94-N96 PolarHBondContact O-N 3.3Å
95P37.4Very low35.3Very low113 Ų113148.8 Ų148.873%0.73478%0.782SS**  trans-76.2115.7179.629.8-33.6000112V97P95-V97 PolarHBondContact O-N 3.06Å
96N33.7Very low35.4Very low160 Ų160149.5 Ų149.586%0.85678%0.78SS**  trans-74.6119.1178.2-95.4-86.6000112.5M94M94-N96 PolarHBondContact O-N 3.3Å
97V36.6Very low35.1Very low128 Ų128150.4 Ų150.478%0.77678%0.781SS**  trans-111.1101170.4-178.30000110.2P95 V99P95-V97 PolarHBondContact O-N 3.06Å; V97-V99 HydrophobicContact CG1-CG2 4.4Å; V97-V99 PolarHBondContact O-N 2.97Å; V97-V99 VanDerWaalsContact O-N 3.11Å
98A34.6Very low35Very low99 Ų99148.5 Ų148.582%0.81878%0.784SS**  trans-81.786-173.100000113.7K100A98-K100 PolarHBondContact O-N 2.99Å
99V34.9Very low34.6Very low114 Ų114146.2 Ų146.269%0.69178%0.784SS**  trans-82.5104.8170.8-1790000110.6V97 N101V97-V99 HydrophobicContact CG1-CG2 4.4Å; V97-V99 PolarHBondContact O-N 2.97Å; V97-V99 VanDerWaalsContact O-N 3.11Å; V99-N101 PolarHBondContact O-N 3.1Å
100K36.7Very low34.3Very low195 Ų195141.9 Ų141.985%0.84878%0.779SS**  trans-9262.7-168-162.2171-172.7166.90113.5A98 K102A98-K100 PolarHBondContact O-N 2.99Å; K100-K102 PolarHBondContact O-N 2.89Å; K100-K102 VanDerWaalsContact O-N 3.16Å
101N34Very low33.9Very low154 Ų154141.1 Ų141.182%0.82478%0.78SS**  trans-72.3105.5175.4-88.6-6.2000111.7V99V99-N101 PolarHBondContact O-N 3.1Å
102K34.3Very low33.6Very low177 Ų177140.6 Ų140.677%0.7778%0.781SS**  trans-96.9125.6158.4-80.6-165.7167.4-159.80109.4K100K100-K102 PolarHBondContact O-N 2.89Å; K100-K102 VanDerWaalsContact O-N 3.16Å
103Q31.8Very low34Very low195 Ų195142 Ų14291%0.91179%0.79SS**  trans-98121.3165.7-179171.1-34.800108.8
104E31.9Very low33.8Very low174 Ų174141 Ų14181%0.81378%0.784SS**  trans-126.8154.6163.1-86.9178.5120.300108.7
105D32.8Very low33.5Very low147 Ų147141.7 Ų141.779%0.78679%0.789SS**  trans-91.6-170.9-155.9-154.8-18.8000113.2
106L35.3Very low33.1Very low136 Ų136142.2 Ų142.271%0.71279%0.791SS**  trans120.494.5153.8-57.6-169000117.3
107N30.5Very low32.9Very low131 Ų131141.3 Ų141.370%0.70180%0.795SS**  trans73.7107130.6-57.6-41.4000121
108S31.6Very low32.4Very low110 Ų110142 Ų14277%0.76980%0.795SS**  150136.5105.3-62.90000114.4
109E27.5Very low32.2Very low194 Ų194144.3 Ų144.391%0.90779%0.792SS**  trans36.5138.2145.7-104.5150.17900121.8
110A29.2Very low31.8Very low73 Ų73144.3 Ų144.360%0.60380%0.797SS**  cis-166.2163.911.800000114.2
111L29.1Very low31.6Very low174 Ų174138.4 Ų138.491%0.91178%0.781SS**  trans66.3122.1150-63.8167.7000120.9
112S34.1Very low31.6Very low109 Ų109141.2 Ų141.276%0.76278%0.78SS**  trans-76.4174.5164.3-38.20000112.7
113P44.1Very low31.3Very low134 Ų134138.5 Ų138.587%0.8778%0.778SS**  -131.7158.8111.437.7-31.6000114.2
114S28.7Very low31.1Very low101 Ų101134.6 Ų134.671%0.70677%0.768SS**  trans-120.7141.8-174.652.10000112.7
115I34Very low31Very low157 Ų157132.2 Ų132.281%0.80577%0.765SS**  trans178.9111.2148.438.1-168.6000107
116T29.5Very low30.9Very low125 Ų125133.2 Ų133.277%0.76777%0.765SS**  55.6106.369.971.50000114.8
117C29.3Very low31.6Very low140 Ų140132.3 Ų132.395%0.94677%0.767SS**  trans-140121.8157.9-890000108
118D25.7Very low31.5Very low144 Ų144129.4 Ų129.477%0.7777%0.768SS**  trans-140.9154.2-179.2-165.68.5000110.3
119L31.5Very low31.6Very low147 Ų147130.7 Ų130.777%0.7778%0.777SS**  trans46.999.5172.6-53.6-174.3000119
120S26.4Very low31.8Very low114 Ų114125.3 Ų125.380%0.79777%0.773SS**  -161.1126.3122-112.90000118
121S31.8Very low32Very low71 Ų71127.3 Ų127.350%0.49778%0.783SS.*  6481.6127.4-59.40000120.3
122R35.1Very low32.8Very low212 Ų212124.7 Ų124.780%0.878%0.776SS**  64.1149.2110.285.8-161.6178.2-112.1-2.6121.5
123V28.1Very low32.6Very low121 Ų121124.2 Ų124.273%0.73378%0.779SS**  trans79.597.6150.8170.10000118.3
124T26.1Very low32.2Very low113 Ų113123.2 Ų123.269%0.69378%0.776SS**  81124.3119.1-54.70000121.5
125T30.5Very low32.6Very low123 Ų123126.5 Ų126.576%0.75579%0.785SS**  trans62.4130159.749.70000121.4
126E30.8Very low33.1Very low169 Ų169125.9 Ų125.979%0.7978%0.783SS**  12.4159.8123.8-82.1-158.294.500121.5
127P50.6Low33.8Very low117 Ų117125.5 Ų125.576%0.7678%0.783SS**  cis-139.8-173.6-2837.8-19.3000113.1
128G26.9Very low34Very low69 Ų69122.2 Ų122.271%0.71177%0.773SS**  trans144.8111.1165.900000112.2
129S35.3Very low34.5Very low137 Ų137121.5 Ų121.596%0.95878%0.778SS**  72.6103.364.6-167.80000113.2
130G30.1Very low34.9Very low81 Ų81117.8 Ų117.884%0.83578%0.775SS**  trans170.4102.2177.600000113.6
131S33.6Very low35.8Very low116 Ų116118.3 Ų118.381%0.81177%0.774SS**  trans-160.1159.4177.3-173.90000108.2
132P46.7Very low36.4Very low118 Ų118120.4 Ų120.477%0.76679%0.786SS**  cis-125.8173.8-8.522.30.2000114.3
133A29.1Very low36.5Very low99 Ų99116.1 Ų116.182%0.81878%0.783SS**  trans-153.3121.9139.100000107.4
134S36.1Very low37.1Very low114 Ų114115.5 Ų115.580%0.79778%0.784SS**  cis93.370.639.3-176.10000113.3
135D37.2Very low38Very low169 Ų169117.3 Ų117.390%0.90479%0.789SS**  trans-117.8149.5160-92.4-56.3000110.2
136N45.1Very low38.8Very low144 Ų144118.5 Ų118.577%0.7779%0.791SS**  trans-132.9112.1-163.4175.640000112.6
137P44.2Very low39.6Very low117 Ų117115.5 Ų115.576%0.7679%0.786SS**PPolyproline II helixtrans-77.2132.5168.6-1027.5000111.3
138G33.2Very low39.1Very low71 Ų71114.1 Ų114.173%0.73278%0.784SS**PPolyproline II helixtrans-65.6152-177.400000114.4G140G138-G140 PolarHBondContact O-N 3.43Å
139C36.4Very low39.9Very low129 Ų129116.3 Ų116.387%0.87279%0.789SS**PPolyproline II helixtrans-70.1121.8-178.148.60000113.3
140G39.7Very low40.5Very low70 Ų70117.2 Ų117.272%0.72278%0.783SS**PPolyproline II helixtrans-88.2123.9151.200000108.9G138 P142G138-G140 PolarHBondContact O-N 3.43Å; G140-P142 WeakPolarHBondContact O-CD 3.32Å
141T44.9Very low41.4Very low125 Ų125120.6 Ų120.677%0.76778%0.782SS**PPolyproline II helixtrans-77.5117.9172.944.70000110.1
142P43.8Very low42.2Very low115 Ų115120.2 Ų120.275%0.74778%0.777SS**PPolyproline II helixtrans-67.9133.2163.829.9-32.4000108.7G140G140-P142 WeakPolarHBondContact O-CD 3.32Å
143V37.6Very low41.8Very low122 Ų122118.9 Ų118.974%0.73978%0.776SS**PPolyproline II helixtrans-77.4123.5163173.20000106.6D145V143-D145 PolarHBondContact O-N 3.34Å; V143-D145 VanDerWaalsContact O-N 3.08Å
144S42.1Very low42.5Very low108 Ų108119.2 Ų119.276%0.75577%0.772SS**  trans-77.390.8174.5-57.90000109.7N146S144-N146 PolarHBondContact O-N 3.16Å
145D44Very low43.1Very low150 Ų150121.1 Ų121.180%0.80277%0.773SS**  trans-61.7117.8163.5-77.8-52.7000108.8V143 P147V143-D145 PolarHBondContact O-N 3.34Å; V143-D145 VanDerWaalsContact O-N 3.08Å; D145-P147 WeakPolarHBondContact O-CD 3.36Å
146N46.6Very low43.4Very low148 Ų148120.3 Ų120.379%0.79177%0.769SS**  trans-97.3106-168.4-171.648.2000109S144 A148S144-N146 PolarHBondContact O-N 3.16Å; N146-A148 PolarHBondContact O-N 3.35Å
147P49.1Very low43.6Very low107 Ų107118.6 Ų118.670%0.69577%0.765SS**  trans-63.6121.7178.526.8-33.2000108.9D145 S149D145-P147 WeakPolarHBondContact O-CD 3.36Å; P147-S149 PolarHBondContact O-N 3.14Å
148A39.8Very low43.4Very low87 Ų87117.3 Ų117.372%0.71977%0.765SS**  trans-67.9117175.600000109N146 D150N146-A148 PolarHBondContact O-N 3.35Å; A148-D150 PolarHBondContact O-N 3.3Å
149S44.3Very low43.8Very low115 Ų115119 Ų11980%0.80477%0.766SS**  trans-69.599.2171-58.30000109.5P147 N151P147-S149 PolarHBondContact O-N 3.14Å; S149-N151 PolarHBondContact O-N 2.66Å; S149-N151 VanDerWaalsContact O-N 3.1Å
150D46.9Very low44Very low156 Ų156120.3 Ų120.383%0.83476%0.764SS**  trans-59.8113.3166.3-83.5-49.9000109.1A148 P152A148-D150 PolarHBondContact O-N 3.3Å; D150-P152 VanDerWaalsContact O-CD 3.26Å; D150-P152 WeakPolarHBondContact O-CD 3.38Å
151N48Very low44Very low153 Ų153124.1 Ų124.182%0.81877%0.768SS**  trans-79.2113.7178.1-120.4-10.9000108.1S149 A153S149-N151 PolarHBondContact O-N 2.66Å; S149-N151 VanDerWaalsContact O-N 3.1Å; N151-A153 PolarHBondContact O-N 2.91Å
152P51.4Low44.1Very low108 Ų108123.6 Ų123.670%0.70177%0.767SS**  trans-63.6124165.728-32.3000107.7D150 S154D150-P152 VanDerWaalsContact O-CD 3.26Å; D150-P152 WeakPolarHBondContact O-CD 3.38Å; P152-S154 PolarHBondContact O-N 3.24Å
153A38.8Very low43.7Very low90 Ų90125.9 Ų125.974%0.74477%0.772SS**  trans-65.9107.9175.300000109.1N151 D155N151-A153 PolarHBondContact O-N 2.91Å; A153-D155 PolarHBondContact O-N 3.29Å; A153-D155 VanDerWaalsContact O-N 3.1Å
154S43.9Very low43.8Very low105 Ų105125.3 Ų125.373%0.73477%0.774SS**  trans-72.699.4171.8-61.80000109.4P152 N156P152-S154 PolarHBondContact O-N 3.24Å; S154-N156 PolarHBondContact O-N 2.98Å
155D47.6Very low43.5Very low155 Ų155123.4 Ų123.483%0.82977%0.771SS**  trans-60107.6166.4-79.9-49.5000109.3A153 P157A153-D155 PolarHBondContact O-N 3.29Å; A153-D155 VanDerWaalsContact O-N 3.1Å; D155-P157 WeakPolarHBondContact O-CD 3.31Å
156N44.4Very low42.9Very low151 Ų151122.9 Ų122.981%0.80777%0.768SS**PPolyproline II helixtrans-71.5119.8171.4-84.9-46000108.9S154 A158S154-N156 PolarHBondContact O-N 2.98Å; N156-A158 PolarHBondContact O-N 3.46Å
157P49.8Very low42.5Very low108 Ų108123.8 Ų123.870%0.70177%0.773SS**PPolyproline II helixtrans-62.2131.9161.728.3-32.6000108.3D155 S159D155-P157 WeakPolarHBondContact O-CD 3.31Å; P157-S159 PolarHBondContact O-N 3.11Å; P157-S159 VanDerWaalsContact O-N 3.16Å
158A38.5Very low41.7Very low91 Ų91122.6 Ų122.675%0.75277%0.771SS**PPolyproline II helixtrans-65.2116.5178.100000109.9N156 D160N156-A158 PolarHBondContact O-N 3.46Å; A158-D160 PolarHBondContact O-N 3.17Å
159S41.5Very low41.3Very low107 Ų107123.1 Ų123.175%0.74878%0.776SS**  trans-85.396.9172.1-62.10000109.5P157 N161P157-S159 PolarHBondContact O-N 3.11Å; P157-S159 VanDerWaalsContact O-N 3.16Å; S159-N161 PolarHBondContact O-N 3.37Å
160D40.3Very low40.8Very low156 Ų156121.7 Ų121.783%0.83478%0.779SS**  trans-63.8103.1171.1-77.8-50.3000110.4A158A158-D160 PolarHBondContact O-N 3.17Å
161N39.7Very low40.2Very low150 Ų150122.3 Ų122.380%0.80278%0.777SS**PPolyproline II helixtrans-81.3122.9165.9-85.9-48.8000109S159S159-N161 PolarHBondContact O-N 3.37Å
162P48.6Very low39.5Very low114 Ų114123.3 Ų123.374%0.7478%0.782SS**PPolyproline II helixtrans-66.4137.2169.128.2-33.1000110.3
163D35.2Very low38.5Very low162 Ų162121.4 Ų121.487%0.86678%0.775SS**PPolyproline II helixtrans-64.7137-175.6-168.415.5000112G165D163-G165 PolarHBondContact O-N 3.11Å
164S38.5Very low38.3Very low110 Ų110123.6 Ų123.677%0.76978%0.779SS**  trans-93.491.9-175.8-71.50000110.8D166S164-D166 PolarHBondContact O-N 3.44Å; S164-D166 VanDerWaalsContact O-N 3.08Å
165G36.6Very low37.8Very low68 Ų68125.1 Ų125.170%0.70178%0.784SS**  trans-60.6106.8177.400000113.2D163D163-G165 PolarHBondContact O-N 3.11Å
166D31.5Very low37.3Very low139 Ų139123.6 Ų123.674%0.74378%0.78SS**  trans-61.2128174.2176.728.8000112.1S164S164-D166 PolarHBondContact O-N 3.44Å; S164-D166 VanDerWaalsContact O-N 3.08Å
167L38.1Very low36.7Very low168 Ų168125.3 Ų125.388%0.8878%0.783SS**  trans-107.875.6173.7-69.1-173.6000110.8A169L167-A169 PolarHBondContact O-N 3.35Å
168A32.7Very low35.9Very low81 Ų81123.8 Ų123.867%0.66978%0.78SS**  trans-68.5108.8178.900000113.4
169A32Very low35.7Very low98 Ų98126.5 Ų126.581%0.8179%0.787SS**  trans42.9100146.400000119.7L167L167-A169 PolarHBondContact O-N 3.35Å
170G32.6Very low35.3Very low85 Ų85124.9 Ų124.988%0.87679%0.788SS**  trans-102.882.5154.500000112
171E33.8Very low34.9Very low169 Ų169124.9 Ų124.979%0.7979%0.788SS**  trans-75.8121.8175.6-172.6-162148.200111.4
172L32.9Very low34.6Very low175 Ų175122.6 Ų122.692%0.91678%0.783SS**  trans-140.2107.7157.2-74.9-179.3000110.5
173A32.4Very low33.7Very low68 Ų68122 Ų12256%0.56279%0.788SS**  trans-99160.6173.900000112.4
174T32.8Very low33.9Very low136 Ų136119.6 Ų119.683%0.83478%0.783SS**  trans72.1143.6-175.580.30000113.7
175T34.4Very low33.7Very low137 Ų137123 Ų12384%0.8479%0.787SS**  cis-125.8-155.322.753.40000113.3
176V35.9Very low33.9Very low122 Ų122128.1 Ų128.174%0.73979%0.792SS**  trans-127151.3-156.9-159.50000111.7
177Q31.9Very low34.4Very low187 Ų187126.8 Ų126.887%0.87479%0.791SS**  trans78.1159.7172.7-52.4170.496.800115.1
178A33.7Very low34.4Very low76 Ų76124.3 Ų124.363%0.62879%0.786SS**  cis-172.6153.3-33.200000109.1
179T35.4Very low34.9Very low148 Ų148125.2 Ų125.291%0.90879%0.787SS**  trans41.7106.9156.554.20000120
180G32.8Very low34.9Very low74 Ų74126.2 Ų126.276%0.76379%0.788SS**  trans155.8113.6167.900000107.4
181D31.3Very low35.2Very low155 Ų155129.4 Ų129.483%0.82979%0.785SS**  80.712656.6-167.814.1000113.2
182S32.9Very low35.4Very low102 Ų102127.1 Ų127.171%0.71379%0.785SS**  trans77.8135.8160.3-71.80000122
183A30.8Very low35.6Very low102 Ų102124.8 Ų124.884%0.84378%0.783SS**  trans86144.6151.600000120.3
184C39.8Very low36.1Very low112 Ų112126.6 Ų126.676%0.75779%0.792SS**  trans-75167169.8-46.70000111
185E33.4Very low36.2Very low180 Ų180125.4 Ų125.484%0.84179%0.789SS**  -167149.5120.5-88.5-4681.600109
186E40.8Very low36.4Very low176 Ų176125.9 Ų125.982%0.82279%0.786SS**  trans-100.8133.5175.9-176.5-162.7124.900110.8
187P41Very low36.7Very low111 Ų111125.5 Ų125.572%0.72179%0.786SS**  trans-125.3160163.539.8-27.6000112
188P39.4Very low36.7Very low117 Ų117123.1 Ų123.176%0.7679%0.785SS**  -119.8174.9-102.4166.8000114.5
189S42.3Very low37.1Very low99 Ų99125 Ų12569%0.69279%0.793SS**  trans-60.8144.5179.657.10000114.9
190S33.5Very low37.2Very low120 Ų120123 Ų12384%0.83979%0.786SS**  trans-164.987.1159.5-78.40000109.7P192S190-P192 WeakPolarHBondContact O-CD 3.46Å
191D36.9Very low37.5Very low152 Ų152128.2 Ų128.281%0.81379%0.79SS**  trans-67.8126.3178.9-64.5-77.1000112.6S193D191-S193 PolarHBondContact O-N 3.38Å
192P38.8Very low38Very low120 Ų120126.8 Ų126.878%0.77979%0.789SS**  trans-76.9106.2160.231.1-29.2000108.8S190 S194S190-P192 WeakPolarHBondContact O-CD 3.46Å; P192-S194 PolarHBondContact O-N 3.23Å
193S37.4Very low38Very low126 Ų126127.8 Ų127.888%0.88180%0.796SS**  trans-52.5123.7176.6-177.80000112D191D191-S193 PolarHBondContact O-N 3.38Å
194S41.9Very low38.5Very low107 Ų107128.3 Ų128.375%0.74879%0.793SS**  trans-124.8122.5169.9179.70000108.3P192 D196P192-S194 PolarHBondContact O-N 3.23Å; S194-D196 PolarHBondContact O-N 2.69Å
195S36.6Very low38.5Very low110 Ų110127.9 Ų127.977%0.76979%0.792SS**  trans-78112.5-178.853.20000111.2
196D36.9Very low38.8Very low148 Ų148127.4 Ų127.479%0.79179%0.79SS**  trans-64.3137171.5-91.8-52.5000112.1S194 T198S194-D196 PolarHBondContact O-N 2.69Å; D196-T198 PolarHBondContact O-N 3Å
197P42.6Very low38.9Very low114 Ų114124.1 Ų124.174%0.7478%0.783SS**  trans-75118.5170.530.6-31.9000110.1S199P197-S199 PolarHBondContact O-N 3.28Å
198T33.4Very low38.6Very low137 Ų137124.6 Ų124.684%0.8478%0.784SS**  trans-6895.2179.553.50000112D196D196-T198 PolarHBondContact O-N 3Å
199S42.1Very low38.5Very low114 Ų114124.8 Ų124.880%0.79779%0.787SS**  trans-87.8100.8165178.80000109.4P197 E201P197-S199 PolarHBondContact O-N 3.28Å; S199-E201 PolarHBondContact O-N 3.42Å
200S36.8Very low38.4Very low108 Ų108125.5 Ų125.576%0.75579%0.792SS**  trans-63.6120178.9-55.80000111.9
201E38.2Very low38.7Very low183 Ų183128.4 Ų128.486%0.85579%0.792SS**  trans-66.1136.4170.9-70.217772.600111.3S199 S203S199-E201 PolarHBondContact O-N 3.42Å; E201-S203 PolarHBondContact O-N 2.99Å
202P42.3Very low39Very low124 Ų124127.1 Ų127.181%0.80579%0.792SS**  trans-74108.5169.430-31.8000109.5S204P202-S204 PolarHBondContact O-N 3.05Å
203S33.4Very low39.1Very low123 Ų123129.5 Ų129.586%0.8680%0.796SS**  trans-62104.6175.5-174.70000110.8E201 S205E201-S203 PolarHBondContact O-N 2.99Å; S203-S205 PolarHBondContact O-N 2.94Å
204S41.2Very low39.4Very low113 Ų113129.2 Ų129.279%0.7979%0.794SS**  trans-86.4103.3173.5-178.10000109.3P202 E206P202-S204 PolarHBondContact O-N 3.05Å; S204-E206 PolarHBondContact O-N 3.09Å
205S39.2Very low39.1Very low103 Ų103127.3 Ų127.372%0.7279%0.792SS**  trans-67.4120.6173.7520000111S203 P207S203-S205 PolarHBondContact O-N 2.94Å; S205-P207 WeakPolarHBondContact O-CD 3.39Å
206E40.2Very low39.4Very low171 Ų171129 Ų12980%0.79979%0.792SS**  trans-66.7121.8178-171.8178.1106.700111.4S204 T208S204-E206 PolarHBondContact O-N 3.09Å; E206-T208 PolarHBondContact O-N 3.21Å
207P43.4Very low39.5Very low107 Ų107127.3 Ų127.370%0.69579%0.79SS**  trans-77111.4174.830.6-31.9000109.6S205 C209S205-P207 WeakPolarHBondContact O-CD 3.39Å; P207-C209 PolarHBondContact O-N 3.09Å
208T35.3Very low39.3Very low121 Ų121127.6 Ų127.674%0.74279%0.789SS**  trans-67.897.8176.252.50000110.9E206 S210E206-T208 PolarHBondContact O-N 3.21Å; T208-S210 PolarHBondContact O-N 2.96Å; T208-S210 VanDerWaalsContact O-N 3.08Å
209C36.1Very low39.8Very low121 Ų121126.7 Ų126.782%0.81879%0.788SS**  trans-65.5103.8171.7-68.60000110.7P207 E211P207-C209 PolarHBondContact O-N 3.09Å; C209-E211 PolarHBondContact O-N 2.94Å
210S40.2Very low39.6Very low113 Ų113129.4 Ų129.479%0.7979%0.788SS**PPolyproline II helixtrans-69.9118.1164.9-61.40000109.5T208T208-S210 PolarHBondContact O-N 2.96Å; T208-S210 VanDerWaalsContact O-N 3.08Å
211E40Very low39.9Very low182 Ų182133.1 Ų133.185%0.8579%0.794SS**PPolyproline II helixtrans-61.2126.1176.6-66.5176.796.100111.1C209 I213C209-E211 PolarHBondContact O-N 2.94Å; E211-I213 PolarHBondContact O-N 3.08Å
212P42.6Very low39.6Very low124 Ų124128.6 Ų128.681%0.80579%0.787SS**PPolyproline II helixtrans-70.2121.6168.228.8-31.9000109.1S214P212-S214 PolarHBondContact O-N 2.8Å; P212-S214 VanDerWaalsContact O-N 3.15Å
213I42.2Very low39.1Very low170 Ų170126.3 Ų126.387%0.87278%0.779SS**PPolyproline II helixtrans-62.6117.3-179.1-35.3174.9000108.9E211 G215E211-I213 PolarHBondContact O-N 3.08Å; I213-G215 PolarHBondContact O-N 3.01Å; I213-G215 VanDerWaalsContact O-N 3.08Å
214S42.3Very low39.6Very low120 Ų120126.1 Ų126.184%0.83978%0.777SS**  trans-68.1108.7-178.7-169.80000110.8P212P212-S214 PolarHBondContact O-N 2.8Å; P212-S214 VanDerWaalsContact O-N 3.15Å
215G36.8Very low39.5Very low67 Ų67128.7 Ų128.769%0.69178%0.777SS**  trans-96.5109.7170.200000110I213 P217I213-G215 PolarHBondContact O-N 3.01Å; I213-G215 VanDerWaalsContact O-N 3.08Å; G215-P217 WeakPolarHBondContact O-CD 3.39Å
216D42.2Very low39.7Very low146 Ų146131.4 Ų131.478%0.78178%0.783SS**  trans-70.5114.3-179.7-169.213.9000110.7V218D216-V218 PolarHBondContact O-N 3.28Å; D216-V218 VanDerWaalsContact O-N 3.16Å
217P39.3Very low39.5Very low113 Ų113130.6 Ų130.673%0.73478%0.783SS**  trans-77.7103.2-177.831-32.4000110.3G215 S219G215-P217 WeakPolarHBondContact O-CD 3.39Å; P217-S219 PolarHBondContact O-N 3.26Å
218V38.1Very low39.4Very low120 Ų120132.1 Ų132.173%0.72779%0.791SS**  trans-56.2123.1172.6177.60000109.8D216 E220D216-V218 PolarHBondContact O-N 3.28Å; D216-V218 VanDerWaalsContact O-N 3.16Å; V218-E220 HydrophobicContact CG1-CG 4.38Å; V218-E220 PolarHBondContact O-N 2.96Å
219S43.8Very low39.6Very low117 Ų117131.9 Ų131.982%0.81879%0.794SS**  trans-69.3109.2175-176.20000110.5P217P217-S219 PolarHBondContact O-N 3.26Å
220E37.7Very low39.5Very low172 Ų172128.6 Ų128.680%0.80478%0.78SS**  trans-112.1118.1166.3-65.7-159.8155.200109.7V218V218-E220 HydrophobicContact CG1-CG 4.38Å; V218-E220 PolarHBondContact O-N 2.96Å
221E43.1Very low39.4Very low186 Ų186130.3 Ų130.387%0.86978%0.781SS**  trans-89.2114.3-178.8-156.2-93.4143.500108.5
222A31.5Very low39.1Very low88 Ų88126.7 Ų126.773%0.72778%0.775SS**  trans-144.992.2-168.800000114
223A32.6Very low38.5Very low76 Ų76126.6 Ų126.663%0.62877%0.773SS**  trans28.1124.7144.500000120.4H225A223-H225 PolarHBondContact O-N 3.22Å
224S44.8Very low38.1Very low118 Ų118124.8 Ų124.883%0.82577%0.773SS**  trans-53.2127.4167.345.50000114.1
225H37.8Very low37.6Very low167 Ų167124.1 Ų124.177%0.77377%0.769SS**  trans-134.1118.9163.7-87.1-74.7000111.4A223A223-H225 PolarHBondContact O-N 3.22Å
226D43.3Very low37.7Very low161 Ų161129.6 Ų129.686%0.86178%0.776SS**  trans-62.7126.8171.8-175.412000110.2
227L37.3Very low37.3Very low153 Ų153128.1 Ų128.180%0.80178%0.775SS**  trans-136.1122-179.6-75.2179.8000110.8S229L227-S229 PolarHBondContact O-N 2.85Å
228V40.5Very low37.1Very low140 Ų140129.6 Ų129.685%0.84878%0.782SS**PPolyproline II helixtrans-63.2126.8178.9630000111.2G230V228-G230 PolarHBondContact O-N 3.04Å
229S39.2Very low37Very low116 Ų116129.5 Ų129.581%0.81179%0.786SS**PPolyproline II helixtrans-72.5125.1172.7-164.70000109.9L227L227-S229 PolarHBondContact O-N 2.85Å
230G34.8Very low36.6Very low51 Ų51126.9 Ų126.953%0.52678%0.778SS.*PPolyproline II helixtrans-85.9137.6175.600000111.3V228 S232V228-G230 PolarHBondContact O-N 3.04Å; G230-S232 PolarHBondContact O-N 3.41Å; G230-S232 PolarHBondContact O-OG 3.12Å
231D36.7Very low36.6Very low150 Ų150127.2 Ų127.280%0.80278%0.779SS**PPolyproline II helixtrans-51.1132.6171.3-178.7-116.6000111.1
232S34Very low36.3Very low106 Ų106123.7 Ų123.774%0.74177%0.772SS**  trans-130.691.4-176.4-68.90000108.9G230 C234G230-S232 PolarHBondContact O-N 3.41Å; G230-S232 PolarHBondContact O-OG 3.12Å; S232-C234 PolarHBondContact O-N 2.81Å; S232-C234 VanDerWaalsContact O-N 3.16Å
233T30.1Very low36.4Very low122 Ų122124.8 Ų124.875%0.74877%0.77SS**  trans-59.1112.9-177.555.40000111.7
234C33.8Very low36.5Very low131 Ų131126.9 Ų126.989%0.88578%0.78SS**PPolyproline II helixtrans-73.8127.8170.9-167.20000109.9S232S232-C234 PolarHBondContact O-N 2.81Å; S232-C234 VanDerWaalsContact O-N 3.16Å
235S33.1Very low36Very low106 Ų106129.6 Ų129.674%0.74178%0.779SS**PPolyproline II helixtrans-93.7119.1176.2570000110.8
236E37.3Very low35.9Very low182 Ų182130.9 Ų130.985%0.8579%0.786SS**PPolyproline II helixtrans-63.4130.8-178.1-165.6-179125.100112.9
237P34.9Very low35.5Very low116 Ų116127.7 Ų127.775%0.75378%0.782SS**PPolyproline II helixtrans-83.6125.6174.332.1-31.8000111.4S239P237-S239 PolarHBondContact O-N 2.95Å
238V34.9Very low35.3Very low144 Ų144124.7 Ų124.787%0.87378%0.779SS**PPolyproline II helixtrans-64.2120.1172.9171.10000110.2
239S36.7Very low34.9Very low117 Ų117123.6 Ų123.682%0.81878%0.778SS**PPolyproline II helixtrans-79.2139.7172.5-164.30000111.2P237P237-S239 PolarHBondContact O-N 2.95Å
240G33.9Very low34.8Very low63 Ų63123.3 Ų123.365%0.64978%0.776SS**  trans-106.3126.8179.600000111.9P242G240-P242 WeakPolarHBondContact O-CD 3.45Å
241E39.1Very low35Very low179 Ų179129.3 Ų129.384%0.83679%0.79SS**PPolyproline II helixtrans-70.4122.4-178.2-170.2-174.4124.100112.2
242P36Very low35Very low111 Ų111127.7 Ų127.772%0.72179%0.788SS**PPolyproline II helixtrans-83.5118.5175.131.8-31.6000111.2G240 S244G240-P242 WeakPolarHBondContact O-CD 3.45Å; P242-S244 PolarHBondContact O-N 3.36Å
243V34.1Very low34.9Very low112 Ų112127.1 Ų127.168%0.67979%0.789SS**PPolyproline II helixtrans-66116.9175.8178.20000110.4H245V243-H245 PolarHBondContact O-N 2.94Å
244S33.5Very low35.2Very low120 Ų120128.2 Ų128.284%0.83980%0.796SS**PPolyproline II helixtrans-66.4128.1174.4-75.10000111.9P242P242-S244 PolarHBondContact O-N 3.36Å
245H35.9Very low35.4Very low174 Ų174127.2 Ų127.281%0.80679%0.791SS**PPolyproline II helixtrans-90.1125.3171.1-65.8-62.3000110.9V243 A247V243-H245 PolarHBondContact O-N 2.94Å; H245-A247 PolarHBondContact O-N 2.97Å
246E34.9Very low35.7Very low194 Ų194130.9 Ų130.991%0.90780%0.796SS**  trans-66.2114.9178-171-171.1141.500111A248E246-A248 PolarHBondContact O-N 2.91Å
247A34.9Very low35.8Very low95 Ų95127.7 Ų127.779%0.78579%0.791SS**  trans-83.8112.5173.600000110.1H245 S249H245-A247 PolarHBondContact O-N 2.97Å; A247-S249 PolarHBondContact O-N 3.1Å
248A32.1Very low35.7Very low89 Ų89126.5 Ų126.574%0.73679%0.791SS**  trans-61.6128.4-176.400000112.6E246E246-A248 PolarHBondContact O-N 2.91Å
249S34Very low35.7Very low118 Ų118125.6 Ų125.683%0.82579%0.791SS**  trans-61.3138.7177.3-1760000112.1A247A247-S249 PolarHBondContact O-N 3.1Å
250S35.7Very low35.9Very low110 Ų110127.8 Ų127.877%0.76979%0.794SS**  trans-125.1115.1163.543.30000109.2P252S250-P252 WeakPolarHBondContact O-CD 3.49Å
251E38.5Very low36.1Very low177 Ų177132.3 Ų132.383%0.82780%0.798SS**PPolyproline II helixtrans-80.5118-169.2-171.9-176.3127.900111.5A253E251-A253 PolarHBondContact O-N 3.23Å
252P38.2Very low36.4Very low116 Ų116129.4 Ų129.475%0.75379%0.794SS**PPolyproline II helixtrans-77.9118.5172.830.7-31.8000110S250 T254S250-P252 WeakPolarHBondContact O-CD 3.49Å; P252-T254 PolarHBondContact O-N 3.41Å
253A31.8Very low36.4Very low94 Ų94129.9 Ų129.978%0.77780%0.795SS**PPolyproline II helixtrans-60.9135.2-177.800000112.6E251 S255E251-A253 PolarHBondContact O-N 3.23Å; A253-S255 PolarHBondContact O-N 3Å
254T36.6Very low36.5Very low144 Ų144128.4 Ų128.488%0.88380%0.795SS**  trans-70.5115.2-179.153.30000112.2P252P252-T254 PolarHBondContact O-N 3.41Å
255S37.3Very low36.7Very low111 Ų111133.9 Ų133.978%0.77680%0.797SS**  trans-106.9109.9161.457.90000110.4A253 P257A253-S255 PolarHBondContact O-N 3Å; S255-P257 WeakPolarHBondContact O-CD 3.32Å
256E39.2Very low36.6Very low182 Ų182131.9 Ų131.985%0.8580%0.797SS**PPolyproline II helixtrans-68.4121179.3-178.7-173.3121.100112.1
257P39.8Very low36.6Very low115 Ų115128.5 Ų128.575%0.74779%0.789SS**PPolyproline II helixtrans-88.1127.1162.233.4-28.2000109.9S255S255-P257 WeakPolarHBondContact O-CD 3.32Å
258A32.9Very low36.5Very low91 Ų91128.6 Ų128.675%0.75279%0.79SS**PPolyproline II helixtrans-64.6146.5174.800000111.4
259S35Very low36.5Very low125 Ų125129 Ų12987%0.87479%0.793SS**PPolyproline II helixtrans-76.8129173.4-60.90000111.1
260D40.5Very low36.6Very low164 Ų164129.3 Ų129.388%0.87779%0.794SS**PPolyproline II helixtrans-102.9134.6162.1-112-51.1000109.3
261E39Very low36.4Very low157 Ų157133.4 Ų133.473%0.73480%0.801SS**PPolyproline II helixtrans-88.3123.5-170.6-173.4-168.2123.600111.8V263E261-V263 PolarHBondContact O-N 2.96Å
262P44.2Very low36Very low118 Ų118133 Ų13377%0.76680%0.804SS**  trans-76.190.3172.131.1-33.3000110.4A264P262-A264 PolarHBondContact O-N 2.82Å
263V36.1Very low35.8Very low122 Ų122131.9 Ų131.974%0.73980%0.804SS**  trans-51.4110.8-178.8-178.30000111.4E261 R265E261-V263 PolarHBondContact O-N 2.96Å; V263-R265 PolarHBondContact O-N 2.89Å
264A36.1Very low36.2Very low81 Ų81133.8 Ų133.867%0.66981%0.809SS**  trans-71.7119.6-175.900000111.7P262 V266P262-A264 PolarHBondContact O-N 2.82Å; A264-V266 PolarHBondContact O-N 3.47Å
265R37.6Very low36.2Very low234 Ų234130.6 Ų130.688%0.88380%0.804SS**  trans-65.385.217550.4168.3-168.7-85-3112.4V263 V267V263-R265 PolarHBondContact O-N 2.89Å; R265-V267 PolarHBondContact O-N 3.4Å
266V33.8Very low36.2Very low132 Ų132134.8 Ų134.880%0.881%0.812SS**  trans-68.2101172179.70000109.5A264 A268A264-V266 PolarHBondContact O-N 3.47Å; V266-A268 PolarHBondContact O-N 2.89Å
267V36.3Very low35.9Very low124 Ų124131.9 Ų131.975%0.75281%0.811SS**  trans-70.6118167-75.20000109.1R265 A269R265-V267 PolarHBondContact O-N 3.4Å; V267-A269 PolarHBondContact O-N 2.9Å
268A31.6Very low35.8Very low97 Ų97131.2 Ų131.280%0.80282%0.815SS**  trans-75.788.1179.900000110.6V266V266-A268 PolarHBondContact O-N 2.89Å
269A33Very low36.1Very low97 Ų97134.8 Ų134.880%0.80282%0.821SS**  trans-76.1130.6168.300000110.2V267V267-A269 PolarHBondContact O-N 2.9Å
270C35.6Very low36.2Very low124 Ų124135.9 Ų135.984%0.83882%0.817SS**  trans-88.8116.9177.3-61.10000110.8
271E30.4Very low36Very low196 Ų196134.3 Ų134.392%0.91681%0.809SS**  trans-156.1141.3142.5-123.3176.290.700110.9
272L31.9Very low36Very low169 Ų169132.7 Ų132.789%0.88581%0.813SS**  trans-117.5134.4176.8-78.6170.2000109
273A33Very low35.8Very low93 Ų93131.4 Ų131.477%0.76981%0.812SS**  trans-65146.9-175.300000112.9G275A273-G275 PolarHBondContact O-N 3.33Å
274P40.8Very low36.6Very low134 Ų134131.6 Ų131.687%0.8782%0.816SS**  trans-72.7111.3173.829.6-33.4000110.8
275G35.7Very low36.8Very low76 Ų76133.1 Ų133.178%0.78482%0.822SS**  trans-85.5115168.800000111.1A273A273-G275 PolarHBondContact O-N 3.33Å
276E38.1Very low36.8Very low200 Ų200125 Ų12594%0.93581%0.811SS**  trans-74.2158.9177.5-147.9-178.7139.200112.2
277S33.3Very low37Very low121 Ų121126.3 Ų126.385%0.84681%0.813SS**  trans-84.4140.4-162.8-60.90000114.8
278A37.7Very low37Very low100 Ų100125.2 Ų125.283%0.82681%0.811SS**  trans-132.7143.1159.700000110.2
279L38.2Very low37.3Very low167 Ų167128.9 Ų128.987%0.87481%0.812SS**  trans-80.5150.5179.5-57151.5000108.6
280D38.3Very low37.6Very low147 Ų147129.9 Ų129.979%0.78681%0.813SS**  -172.5164.963-145.6-141.2000112.9
281D36.2Very low37.7Very low132 Ų132131 Ų13171%0.70681%0.811SS**  trans16.3114.1158.6-148.8-87000122.6
282C38.5Very low38.2Very low122 Ų122130.5 Ų130.582%0.82481%0.808SS**  179.6132.4115.4-104.60000113.2
283A40.2Very low39.5Very low91 Ų91127.8 Ų127.875%0.75280%0.801SS**  trans-111.317816800000109.6
284P53.3Low40.3Very low127 Ų127129.4 Ų129.483%0.82580%0.803SS**  cis-119.1-158.5-0.536.4-14.4000110.7
285S39.7Very low39.9Very low113 Ų113127.8 Ų127.879%0.7980%0.795SS**  cis-170.7158.724.452.30000113
286G37.8Very low40Very low63 Ų63128.5 Ų128.565%0.64979%0.788SS**  trans113.4118.8169.800000111.1
287D37Very low39.8Very low159 Ų159127.6 Ų127.685%0.8578%0.784SS**  64.2125.263.6-80.2-61.1000113.7
288S37.2Very low39.9Very low101 Ų101128.8 Ų128.871%0.70678%0.781SS**  cis-157.4178.3-3.5-134.60000112.4
289Q38.6Very low39.6Very low174 Ų174129.5 Ų129.581%0.81378%0.78SS**  trans-69.3155-178-53.9165.7-9300113
290S37.5Very low39.7Very low119 Ų119129 Ų12983%0.83278%0.778SS**  179.8158.5121.5-75.60000113.4
291D39.3Very low40.2Very low147 Ų147127.2 Ų127.279%0.78677%0.774SS**  trans-79.4160.6-167.7-49.8-114.2000116.4
292E40.8Very low40.1Very low186 Ų186132.2 Ų132.287%0.86978%0.783SS**  trans50.7139.2141.8-146.8156.7104.300121.3
293P58.5Low39.9Very low111 Ų111131.9 Ų131.972%0.72178%0.782SS**  trans-92.2-177.5-169.239.5-37.6000113.7
294P49.7Very low39.4Very low127 Ų127134.2 Ų134.283%0.82579%0.786SS**  trans-127.7176.313638.9-31.4000113.3
295S33.4Very low38.4Very low100 Ų100134.1 Ų134.170%0.69979%0.787SS**  trans-83.9176.9-179.158.30000114.4
296S36.5Very low38.2Very low91 Ų91134.4 Ų134.464%0.63679%0.789SS**  trans76.2149.8138.553.40000121.4
297E33.3Very low37.9Very low181 Ų181134.6 Ų134.685%0.84679%0.791SS**  trans77.3101.5159.5-70.4165.4122.100120
298D35.4Very low37.7Very low146 Ų146135.4 Ų135.478%0.78180%0.795SS**  37116.2124.6-155.7-69.7000120.2
299S33.1Very low37.6Very low115 Ų115134.8 Ų134.880%0.80480%0.795SS**  trans-164.4122.1137.7-85.10000112.6
300L39.8Very low37.5Very low158 Ų158132.4 Ų132.483%0.82780%0.798SS**  trans-70.2168.6161.7-64.6172.5000111.3
301P48.3Very low37.4Very low108 Ų108129.9 Ų129.970%0.70179%0.791SS**  -146135.3120.733.3-17.5000116.7
302R34.3Very low37.2Very low237 Ų237131.6 Ų131.689%0.89479%0.794SS**  trans65.7116.4150.6-60.4168-179.9165.80.3116.7
303S34.4Very low36.8Very low115 Ų115129.8 Ų129.880%0.80479%0.79SS**  cis73.5115.932.9-165.20000116.4
304V29.7Very low35.6Very low141 Ų141130.4 Ų130.486%0.85579%0.792SS**  trans-137.6143150.8-77.20000110.2
305C31.7Very low35.4Very low124 Ų124130.2 Ų130.284%0.83879%0.79SS**  trans-32159.1175-66.90000119.2
306S35.3Very low35.3Very low120 Ų120129.2 Ų129.284%0.83980%0.796SS**  cis-174.9159.54.836.30000114.1
307G31.7Very low35.1Very low67 Ų67133.1 Ų133.169%0.69180%0.804SS**  trans115.910516500000112.6
308L34.2Very low35Very low176 Ų176131.7 Ų131.792%0.92180%0.802SS**  61.7119.461.6-53.2-179.1000112.4
309A34.7Very low34.7Very low87 Ų87129.9 Ų129.972%0.71980%0.8SS**  cis-142.2145.411.200000110.8
310S37.1Very low34.9Very low124 Ų124130.8 Ų130.887%0.86780%0.801SS**  56.613289.3-46.80000115.6
311G33.7Very low34.9Very low66 Ų66131.6 Ų131.668%0.6880%0.8SS**  cis-1481774.900000112.9
312E36.6Very low35.4Very low183 Ų183132.5 Ų132.586%0.85581%0.806SS**  66.4133.499.9-77.4-162.625.500115.1
313L31.6Very low35.7Very low149 Ų149125.5 Ų125.578%0.7880%0.799SS**  cis-155.7175.93.8-105178.1000110.8
314T32.6Very low36Very low124 Ų124126.8 Ų126.876%0.76180%0.802SS**  trans-113.6178.7162600000109.8
315P46.6Very low36.3Very low122 Ų122126.2 Ų126.279%0.79279%0.794SS**  cis-125.3178.1-32.837.5-22.3000113.2
316G30.3Very low36.6Very low80 Ų80125.6 Ų125.683%0.82579%0.787SS**  trans72.7179.8169.300000115
317E32.3Very low36.7Very low173 Ų173125.9 Ų125.981%0.80878%0.783SS**  cis-155.6138-14.4176.2-177.5110.400107.7
318L31.4Very low37.1Very low151 Ų151132.2 Ų132.279%0.79179%0.792SS**  trans45.7142.6163.1-65.8169.7000122.1
319S30.4Very low38Very low108 Ų108129.6 Ų129.676%0.75579%0.785SS**  119.5128122-133.20000119.9
320V36.7Very low38.1Very low133 Ų133131 Ų13181%0.80679%0.79SS**  trans60.7127.5158.7-123.20000122.8
321E40.3Very low38.2Very low176 Ų176130.7 Ų130.782%0.82279%0.788SS**  trans-53.9171.3145.3-75-162.4129.900113
322P57.1Low38.5Very low127 Ų127132.9 Ų132.983%0.82579%0.792SS**  cis-150.3-170.137.542.7-18.9000118.6
323A42.1Very low38.4Very low89 Ų89128.8 Ų128.874%0.73679%0.79SS**  trans-83.4166.9-170.100000116.9
324T40.2Very low38.6Very low143 Ų143128.1 Ų128.188%0.87779%0.792SS**  trans167.5160.6151.329.10000108.9
325D35.9Very low38.7Very low129 Ų129128.6 Ų128.669%0.6980%0.798SS**  cis-170.3145.8-26.9-178.26.5000109.3
326T37.4Very low38.5Very low111 Ų111132 Ų13268%0.68180%0.804SS**  trans52.5169.9162.727.80000120.7
327V38.8Very low38.9Very low125 Ų125132.5 Ų132.576%0.75880%0.8SS**  cis-149.9139.310.4-129.50000114.4
328K38.6Very low38.9Very low201 Ų201127.8 Ų127.887%0.87480%0.798SS**  trans57154.3141.8-94.9-161.9168.8-174.90126.3
329P54.6Low40Very low120 Ų120126.3 Ų126.378%0.77980%0.797SS**  trans-125.3-175.5-174.746.5-33.7000117.2
330S35.4Very low40.3Very low117 Ų117128.4 Ų128.482%0.81880%0.8SS**  trans-158.2167.3159.373.20000109.4
331S39.9Very low41.6Very low118 Ų118126.8 Ų126.883%0.82579%0.792SS**  cis-154.8-172.77.1-161.20000111.3
332S39.6Very low41.2Very low112 Ų112125.5 Ų125.578%0.78379%0.791SS**  trans-145.1152.6-162.960.70000117.8
333A35.5Very low40.4Very low97 Ų97128 Ų12880%0.80279%0.789SS**  trans-163.7140.2154.500000108.9
334V35.4Very low40.2Very low135 Ų135129.6 Ų129.682%0.81879%0.789SS**  cis110.911519.7166.50000112.7
335C35.3Very low40.2Very low133 Ų133131.1 Ų131.190%0.89979%0.787SS**  trans-176.7159.3142.6-104.30000114
336E42.4Very low41Very low194 Ų194129.4 Ų129.491%0.90778%0.783SS**  trans-107177.7-179-90.4-169.8115.500111.6
337A37.2Very low41Very low91 Ų91129.2 Ų129.275%0.75279%0.786SS**  cis-172.8166.2-22.300000109
338G32.7Very low41.1Very low73 Ų73127.5 Ų127.575%0.75378%0.779SS**  trans165.8147.3169.200000115.4
339P55.3Low41.2Very low120 Ų120124.3 Ų124.378%0.77977%0.772SS**  trans-135.4162.2-163.543.8-27.6000119.4
340D36.7Very low40.5Very low153 Ų153125.3 Ų125.382%0.81877%0.771SS**  trans66.7-179.5146.5-98.5-28.6000118.8
341P62.4Low40.9Very low99 Ų99124.4 Ų124.464%0.64376%0.764SS**  -137.3-179.2-88.436.4-13.5000115.7
342D31.9Very low40.9Very low149 Ų149125.4 Ų125.480%0.79776%0.761SS**  trans157.9162.1141.9-91.9-21.2000110.6
343K41.5Very low41Very low179 Ų179127 Ų12778%0.77876%0.76SS**  cis156.4151.4-31-94.8-78.7-175.4-177.70108.1
344T37.3Very low41.5Very low122 Ų122128.7 Ų128.775%0.74876%0.764SS**  trans77.6105.2166.3-13.90000115.6
345E40.4Very low42.3Very low175 Ų175127.9 Ų127.982%0.81876%0.762SS**  52.5156.964.8-80.7-162.1110.800116.1
346P52.8Low42.2Very low94 Ų94124.5 Ų124.561%0.6175%0.75SS**  cis-139.2-150.4-31.238.3-18.8000111.1
347S38.1Very low42.2Very low107 Ų107125.1 Ų125.175%0.74875%0.75SS**  trans76.9147.6154.275.30000118.1
348S40.9Very low42.1Very low88 Ų88124.4 Ų124.462%0.61574%0.739SS**  cis-175.2158.5-13.648.10000111.9
349N39.9Very low42.4Very low134 Ų134128.7 Ų128.772%0.71774%0.74SS**  trans61.2111.1149.3-60.1-4.7000117.5
350N39.2Very low41.6Very low142 Ų142129.7 Ų129.776%0.75974%0.739SS**  88.911474.7-74.23.8000114.1
351S43.6Very low42.2Very low97 Ų97130.2 Ų130.268%0.67874%0.741SS**  trans65.2160.2142.4680000122.7
352D40.4Very low41.4Very low140 Ų140132.9 Ų132.975%0.74975%0.745SS**  trans90.4146.6155-53.7-57.5000120.7
353D41.3Very low42.2Very low146 Ų146133.4 Ų133.478%0.78174%0.742SS**  trans39.598.9172.4-85.6-113.2000120.1P355D353-P355 VanDerWaalsContact O-CD 3.24Å; D353-P355 WeakPolarHBondContact O-CD 3.49Å
354C46.7Very low42.3Very low131 Ų131131.7 Ų131.789%0.88574%0.741SS**  trans-88.6105.8151.3-61.90000110.2
355P51.6Low42.4Very low118 Ų118131.2 Ų131.277%0.76673%0.734SS**  trans-71.9137.1168.630.8-34.1000110.2D353D353-P355 VanDerWaalsContact O-CD 3.24Å; D353-P355 WeakPolarHBondContact O-CD 3.49Å
356G34.6Very low42.5Very low63 Ų63129.8 Ų129.865%0.64973%0.727SS**  trans-82.1-161.2170.800000113.1
357K40.7Very low41.8Very low206 Ų206131.1 Ų131.190%0.89673%0.728SS**  trans81.1147-167.2-53.5173.3-173.9176.80112.1
358S36.8Very low41.8Very low77 Ų77134.1 Ų134.154%0.53873%0.73SS.*  cis-171174.7-10.136.60000108
359E38.7Very low41.7Very low162 Ų162134.4 Ų134.476%0.75773%0.732SS**  trans61.7142.6156.7-64.5133.9164.100117.2
360D38.6Very low41.9Very low142 Ų142136.2 Ų136.276%0.75973%0.734SS**  cis174.8165.9-25.3-108.3-56.6000103.5
361D49.3Very low41.6Very low163 Ų163134.9 Ų134.987%0.87273%0.727SS**  trans-103.9107.1-171.1-177.33000112.1
362E46.2Very low41.3Very low156 Ų156135.3 Ų135.373%0.72973%0.73SS**  trans-162.5149.316953.4-170138.200110.7
363H48Very low40.8Very low159 Ų159134.6 Ų134.674%0.73673%0.734SS**  cis-176.5153.346.453.8-71000108.6
364L43.3Very low40.4Very low143 Ų143135.1 Ų135.175%0.74974%0.737SS**  cis-120.6-132.2-7.5-64.8170.7000107.2
365D40.2Very low40.3Very low113 Ų113137.3 Ų137.360%0.60473%0.734SS**  cis-164.8170.4-7.6-133.4-2.5000108
366Q42.6Very low39.4Very low144 Ų144135.2 Ų135.267%0.67373%0.734SS**  cis-146128.9-4-164.2170.2109.400110.5
367I38Very low39.6Very low122 Ų122139.2 Ų139.263%0.62674%0.741SS**  trans47.5112.3148.5-61.7176.3000120.5
368Q38.1Very low39.7Very low170 Ų170137.4 Ų137.479%0.79473%0.733SS**  44.8150123.9-52.2172.224.400121.8
369S38.9Very low39.6Very low95 Ų95139.4 Ų139.466%0.66474%0.742SS**  cis-176.4154-14-91.80000110.8
370K42.5Very low39.5Very low171 Ų171138.5 Ų138.574%0.74374%0.742SS**  trans81.7140.4139.8-90.8173.8143.6-96.80124.6
371D33.7Very low39.5Very low115 Ų115136.4 Ų136.462%0.61574%0.738SS**  trans77.795.5140.8-58.6-21.2000122.7
372S36.3Very low38.9Very low106 Ų106135.8 Ų135.874%0.74174%0.735SS**  trans65136.9130.265.60000124.5
373C31.8Very low38.6Very low124 Ų124134.6 Ų134.684%0.83874%0.738SS**  trans32.2140.8137.5-47.50000120.6
374D32.8Very low38Very low157 Ų157132.5 Ų132.584%0.8474%0.736SS**  -174.4176.373.6-165.921.7000113.4
375E42.8Very low37.9Very low177 Ų177132.6 Ų132.683%0.82773%0.733SS**  trans-56.1138.2170.6-173.984.5-172.700113.3
376G33.1Very low38Very low75 Ų75134.2 Ų134.277%0.77374%0.735SS**  trans-148.752.4-164.600000118.4
377N40.2Very low37.8Very low146 Ų146134.9 Ų134.978%0.78174%0.738SS**  trans-60150.5171.4-179.210.9000113
378K41.2Very low37.7Very low169 Ų169137 Ų13774%0.73575%0.745SS**  12899.7128.5-167.5171.3176.1-1770119.7
379V35.2Very low38.3Very low119 Ų119133.8 Ų133.872%0.72174%0.739SS**  trans68.3151.9132.9172.80000119.8
380N36.8Very low38.2Very low143 Ų143136 Ų13677%0.76574%0.742SS**  trans91.5146.3163.2106.884.2000116.9
381S37.8Very low37.8Very low97 Ų97134.6 Ų134.668%0.67874%0.739SS**  cis-164.3167.2-2345.30000112.5
382N37.4Very low38.1Very low150 Ų150134.2 Ų134.280%0.80274%0.74SS**  trans-40.3154.4173.8-38.4-8.8000115.2
383V39.9Very low38.5Very low131 Ų131136.9 Ų136.979%0.79474%0.741SS**  trans-177.7125.1130.6136.10000112.4
384V35.6Very low38.8Very low115 Ų115136 Ų13670%0.69774%0.736SS**  trans52.3145.4135175.90000120.2
385E41.6Very low39.3Very low145 Ų145133.3 Ų133.368%0.67874%0.736SS**  cis-176.5177.3-19.2-94-170152.800105.9
386K41.9Very low39.6Very low148 Ų148132.9 Ų132.964%0.64374%0.737SS**  trans90.6137.4137.1-87.3154.1169.6-80.20123.5
387E38.7Very low40.3Very low158 Ų158136.5 Ų136.574%0.73874%0.737SS**  trans86.882.9137.3-75.7157-15200121.2
388E35.7Very low40.1Very low167 Ų167135.7 Ų135.778%0.7874%0.741SS**  -37.9161.8126.9-124.3-148.910000112.8
389P50.9Low40.3Very low101 Ų101132.9 Ų132.966%0.65674%0.743SS**  -153.5-17456.233.3-7.4000118.7
390L35.7Very low40.3Very low141 Ų141135.1 Ų135.174%0.73875%0.751SS**  trans90.1147155.6-55.2-174.4000118.5
391E34.2Very low40.9Very low143 Ų143135.7 Ų135.767%0.66875%0.754SS**  cis-174.6150.9-15.2173.160.9-9200109.8
392T39.4Very low41.4Very low107 Ų107136.8 Ų136.866%0.65676%0.758SS**  trans59.3143.3169.449.50000119.3
393H44.9Very low42Very low161 Ų161135.3 Ų135.375%0.74576%0.757SS**  cis-171.4172.61.648.3-52.9000111.9
394S39.1Very low41.9Very low105 Ų105138 Ų13873%0.73476%0.761SS**  trans88.491161.9-51.20000117.9
395A43.9Very low42.1Very low101 Ų101139.3 Ų139.384%0.83576%0.764SS**  trans-100.3139157.400000110.3
396I48.4Very low42.1Very low168 Ų168138.7 Ų138.786%0.86277%0.77SS**  trans-132.6137.7165.6-58.1-178.5000107.9
397I47.8Very low42.1Very low152 Ų152137.6 Ų137.678%0.77978%0.776SS**  trans-98.7137-176.8-63.7161.7000109.3
398C34.8Very low42.7Very low128 Ų128138.9 Ų138.987%0.86578%0.779SS**  trans-166.3141136.5-105.50000111
399S45.4Very low42.6Very low111 Ų111139 Ų13978%0.77678%0.783SS**  trans-98148.3165.4-500000108.9
400D36.9Very low41.8Very low165 Ų165138.2 Ų138.288%0.88279%0.786SS**  trans-160.4154.3139-124.4-24.3000112.3
401L48.6Very low42Very low156 Ų156140.1 Ų140.182%0.81779%0.791SS**  trans-120.2131.3172.9-81.5166.7000109.1
402P47.7Very low42.3Very low119 Ų119140.3 Ų140.377%0.77380%0.797SS**  trans-81.1148.1166.832.6-31.5000111.3
403P50.4Low43.1Very low120 Ų120139.9 Ų139.978%0.77980%0.795SS**  trans-105.1169-16540.3-37.3000115.6
404E37.7Very low42.8Very low188 Ų188140.3 Ų140.388%0.87980%0.801SS**  trans-56.5143.5163.6-56.4168.390.500112.3
405N40.3Very low42.6Very low141 Ų141139.5 Ų139.575%0.75480%0.801SS**  trans-121.297.5167.668.5-35.3000112.9T407N405-T407 PolarHBondContact O-N 3.38Å
406T42.6Very low42.4Very low133 Ų133143 Ų14382%0.81680%0.8SS**  trans-61.6133.6171.458.50000111.8
407T41.2Very low42.2Very low124 Ų124141 Ų14176%0.76180%0.798SS**  trans-124.8127.8168.1-520000109.6N405N405-T407 PolarHBondContact O-N 3.38Å
408K50.2Low42Very low185 Ų185137.4 Ų137.480%0.80479%0.791SS**  trans-145.7169.3174.5-67.4-170.1177.7-173.70107.9
409I35.3Very low42.3Very low169 Ų169138.2 Ų138.287%0.86779%0.786SS**  trans79.8127.2178.2-52.2166.9000111.9
410A33Very low42.1Very low86 Ų86140.9 Ų140.971%0.71179%0.786SS**  cis-162.9178.5-13.600000110.8
411E40.8Very low42.4Very low181 Ų181142.3 Ų142.385%0.84679%0.788SS**  trans-56.7167.6166.4-61.5142.7143.900111.5
412D39.1Very low42.3Very low147 Ų147143.8 Ų143.879%0.78679%0.79SS**  cis-161.4-159.640.7-151.614.9000110.7
413P56.8Low42.3Very low97 Ų97142.4 Ų142.463%0.6379%0.789SS**  -131.5148.6-121.840.8-21000117.1
414I39Very low42.1Very low170 Ų170144.8 Ų144.887%0.87279%0.793SS**  trans-147.9121.2162.6-29.8173.4000114
415A34.7Very low42.6Very low89 Ų89140.6 Ų140.674%0.73679%0.785SS**  trans48.5117.8151.800000122.5
416E40.5Very low42.6Very low174 Ų174139.7 Ų139.781%0.81379%0.79SS**  -6.7145.8126.8-104.3175.3-159.800117.8
417P44.2Very low42.8Very low126 Ų126138.1 Ų138.182%0.81878%0.784SS**  -126.7151.36738.8-31.3000115.8
418A42.2Very low43.2Very low76 Ų76140.8 Ų140.863%0.62879%0.79SS**  trans-82.4150.8159.200000110.7
419L41.6Very low43.1Very low146 Ų146141.4 Ų141.476%0.76480%0.796SS**  -159.9137128.3-85.6-163.1000110.5
420E41.3Very low43.9Very low166 Ų166138.8 Ų138.878%0.77679%0.788SS**  trans5395.2145-65.6165.2155.200118.9
421E44Very low44.4Very low196 Ų196142.1 Ų142.192%0.91679%0.794SS**  trans-81.1115.1156.5-61.6-170.8147.100109.8A423E421-A423 PolarHBondContact O-N 3.49Å; E421-A423 VanDerWaalsContact O-N 3.09Å
422E46.1Very low44.7Very low186 Ų186140.9 Ų140.987%0.86979%0.788SS**  trans-79.888.5174.9-71.9-157.9117.500111.6I424E422-I424 PolarHBondContact O-N 3.03Å; E422-I424 VanDerWaalsContact O-N 3.12Å
423A46.7Very low44.9Very low90 Ų90138.5 Ų138.574%0.74478%0.782SS**  trans-71.899.617100000111.2E421 S425E421-A423 PolarHBondContact O-N 3.49Å; E421-A423 VanDerWaalsContact O-N 3.09Å; A423-S425 PolarHBondContact O-N 3.29Å
424I46.3Very low44.4Very low170 Ų170143.2 Ų143.287%0.87280%0.796SS**  trans-72.260.4172.252168.2000112.8E422 S426E422-I424 PolarHBondContact O-N 3.03Å; E422-I424 VanDerWaalsContact O-N 3.12Å; I424-S426 PolarHBondContact O-N 2.98Å
425S47.9Very low44.9Very low100 Ų100144.3 Ų144.370%0.69979%0.794SS**  trans-89.789.4175.4-166.10000110.6A423 S427A423-S425 PolarHBondContact O-N 3.29Å; S425-S427 PolarHBondContact O-N 3.48Å
426S40.8Very low45.2Very low123 Ų123147.3 Ų147.386%0.8680%0.798SS**  trans-7999.2175.6-169.20000110.6I424I424-S426 PolarHBondContact O-N 2.98Å
427S47.6Very low45.3Very low100 Ų100145.2 Ų145.270%0.69979%0.788SS**PPolyproline II helixtrans-89.2126.7170.8-62.80000110S425S425-S427 PolarHBondContact O-N 3.48Å
428M48.5Very low44.9Very low179 Ų179146.7 Ų146.788%0.88278%0.784SS**PPolyproline II helixtrans-72141165.4-75.9-161.670.900110.5
429E49.4Very low44.9Very low199 Ų199152.8 Ų152.893%0.9380%0.796SS**PPolyproline II helixtrans-73.3142.5-178.7-61.4-175.296.500111.7
430V52.2Low44.7Very low114 Ų114150.8 Ų150.869%0.69180%0.795SS**  trans-110.5103.7174.851.90000109.2Q432V430-Q432 HydrophobicContact CG2-CG 4.09Å; V430-Q432 PolarHBondContact O-N 3.36Å
431D42.4Very low45.1Very low156 Ų156148.6 Ų148.683%0.83480%0.795SS**  trans-74.6116.2172.7-165.8-63.6000109.7S433D431-S433 PolarHBondContact OD1-N 3.19Å
432Q48.1Very low44.6Very low155 Ų155144.2 Ų144.272%0.72479%0.792SS**  trans-13484.6170.5-79.5-173.837.900110.9V430 E434V430-Q432 HydrophobicContact CG2-CG 4.09Å; V430-Q432 PolarHBondContact O-N 3.36Å; Q432-E434 PolarHBondContact O-N 3.11Å
433S42Very low44.1Very low96 Ų96144.2 Ų144.267%0.67179%0.792SS**  trans4372.8131.8650000116.7D431D431-S433 PolarHBondContact OD1-N 3.19Å
434E47.9Very low44.6Very low196 Ų196144.5 Ų144.592%0.91679%0.787SS**  trans-72.4134.5165.9-166.5165.2122.600110.7Q432Q432-E434 PolarHBondContact O-N 3.11Å
435K48.2Very low44Very low193 Ų193143 Ų14384%0.83979%0.785SS**  trans-125.688.1-169.4177.6-163.5174-174.30109
436D42.2Very low43.2Very low153 Ų153142.4 Ų142.482%0.81879%0.786SS**  trans-95.4150.2174.1-165.9-129.9000112.2
437E41.4Very low42.9Very low129 Ų129141.5 Ų141.560%0.60379%0.786SS**  trans-121.2151.3-166.1-152.1-173.9130.100113
438H36.7Very low42.5Very low157 Ų157142.9 Ų142.973%0.72779%0.79SS**  trans72.3128.8178.8-27.7-60.9000113.4
439K41.7Very low41.9Very low204 Ų204138.6 Ų138.689%0.88778%0.778SS**  -168129.960.3-172.6158.8-174.9166.60113.1
440S37.9Very low41.2Very low104 Ų104138 Ų13873%0.72778%0.775SS**  trans-76.6161.6167.767.60000110.5
441P50.1Low40.5Very low121 Ų121139.5 Ų139.579%0.78678%0.779SS**  cis-147.9157.649.341.2-21.8000118.7
442A32Very low41.3Very low104 Ų104136.9 Ų136.986%0.8677%0.771SS**  179.2124.4129.100000112.9
443E37Very low40.8Very low185 Ų185133.2 Ų133.286%0.86477%0.767SS**  trans-84176.6163.3-103.2-168.712600111.3
444P55.7Low41Very low97 Ų97136.2 Ų136.263%0.6377%0.77SS**  cis-138-156-22.434.2-12.4000112.8
445V33.5Very low40.5Very low137 Ų137135 Ų13583%0.8376%0.764SS**  trans96144.6160.9-38.90000119
446A32Very low40Very low88 Ų88131.1 Ų131.173%0.72775%0.753SS**  cis-172137.7-33.200000110.5
447A34.5Very low40.5Very low104 Ų104130.7 Ų130.786%0.8674%0.744SS**  trans63.8166.2172.400000115
448V39.3Very low41Very low129 Ų129132.6 Ų132.678%0.78275%0.753SS**  cis-143.2178.56.574.30000111.1
449S35.8Very low41.9Very low90 Ų90132.9 Ų132.963%0.62976%0.759SS**  trans-53172.5172.2-33.90000113.6
450E35Very low42Very low187 Ų187129.3 Ų129.387%0.87476%0.755SS**  cis-160.8168.645.3-132.3152.2136.900113.8
451D36.5Very low43.1Very low144 Ų144130.6 Ų130.677%0.7776%0.758SS**  trans-133.1163.8-179.6-175.849.6000104.6
452P60.4Low43.2Very low102 Ų102130.7 Ų130.766%0.66276%0.756SS**  cis-137.1-162.68.430.1-4.4000115.2
453A36.2Very low44.1Very low77 Ų77131.8 Ų131.864%0.63675%0.748SS**  trans93.2146.4138.500000117.9
454E47.1Very low44.7Very low160 Ų160129.2 Ų129.275%0.74874%0.74SS**  cis-135.1169.81.4-81.8-60.2177.300110.9
455E37.2Very low44.6Very low170 Ų170131.6 Ų131.679%0.79475%0.753SS**  trans48.7137.3143.7-73174.3168.800120.6
456D38.3Very low45.7Very low111 Ų111131.5 Ų131.559%0.59475%0.748SS**  cis-155.6-167.15.6-149.5-10.7000111.8
457K52.2Low46.7Very low145 Ų145132.9 Ų132.963%0.6375%0.752SS**  trans-58.5166.4175.2-25.798.9-178.4130.10113.2
458E52.9Low47.8Very low169 Ų169134.3 Ų134.379%0.7974%0.742SS**  cis-148.3141.3936.8-95.4137.900114.3
459D55.3Low49Very low162 Ų162134 Ų13487%0.86673%0.732SS**  trans-79.1124.3154.8-75.4-69.2000110.2
460T43.8Very low50.2Low129 Ų129134.1 Ų134.179%0.79173%0.73SS**  -167.4111.9125.847.10000112.6
461V60.8Low51.6Low132 Ų132130.8 Ų130.880%0.872%0.718SS**  trans41.1100.1131.4-170.70000117.6
462V52.2Low53.4Low123 Ų123130.1 Ų130.175%0.74571%0.71SS**  -169.1172.8105.7-86.80000110.5
463D50.4Low54.1Low126 Ų126128.8 Ų128.867%0.67470%0.697SS**  trans73.289.2154.2-69.3-59.4000120.9
464N49.8Very low56Low131 Ų131130 Ų13070%0.70169%0.691SS**  95.3133.8122.5-56.5-33.8000121.7D466N464-D466 PolarHBondContact O-N 2.94Å
465T53.4Low57.4Low147 Ų147125.2 Ų125.290%0.90267%0.674SS**SBendtrans-94.255.4-172.852.40000112.4
466D56.2Low59.2Low135 Ų135121.9 Ų121.972%0.72266%0.661SS**  trans-153.335.3167.8-149.414.8000114.3N464 M468N464-D466 PolarHBondContact O-N 2.94Å; D466-M468 VanDerWaalsContact C-N 3.31Å; D466-M468 PolarHBondContact O-N 2.85Å
467S54.1Low60.8Low118 Ų118121.9 Ų121.983%0.82566%0.66SS**  trans-78.879.2171.5-76.90000111.1E469S467-E469 PolarHBondContact O-N 3.03Å
468M57.7Low62Low133 Ų133122 Ų12266%0.65566%0.663SS**  trans-70.185.5158.251-137.5-56.600110.5D466 T470 I473D466-M468 VanDerWaalsContact C-N 3.31Å; D466-M468 PolarHBondContact O-N 2.85Å; M468-T470 PolarHBondContact O-N 3.34Å; M468-I473 WeakPolarHBondContact O-CD1 3.46Å
469E63.1Low62.9Low122 Ų122122.5 Ų122.557%0.5766%0.663SS**  trans18.990146.8-167.9161.129.400115.1S467 D471 E472S467-E469 PolarHBondContact O-N 3.03Å; E469-D471 HydrophobicContact CG-CB 4.24Å; E469-D471 PolarHBondContact O-N 3.15Å; E469-E472 HydrophobicContact CG-CG 4.17Å; E469-E472 PolarHBondContact O-N 3.37Å
470T61.7Low63.6Low93 Ų93121 Ų12157%0.57165%0.654SS**Hα-helixtrans-55.6-24.2177.847.60000113.2M468 E472 I473 I474M468-T470 PolarHBondContact O-N 3.34Å; T470-E472 VanDerWaalsContact C-N 3.33Å; T470-E472 PolarHBondContact O-N 2.93Å; T470-I473 PolarHBondContact O-N 3Å; T470-I474 WeakPolarHBondContact O-CG1 3.34Å; T470-I474 PolarHBondContact O-N 2.87Å
471D63.8Low64.7Low117 Ų117117.7 Ų117.763%0.62664%0.64SS**Hα-helixtrans-75.1-19.7-176.5-644.9000112.5E469 P475E469-D471 HydrophobicContact CG-CB 4.24Å; E469-D471 PolarHBondContact O-N 3.15Å; D471-P475 WeakPolarHBondContact O-CD 3.45Å; D471-P475 WeakPolarHBondContact O-CG 3.35Å
472E75.5Confident64.9Low131 Ų131117.3 Ų117.361%0.61264%0.64SS**Hα-helixtrans-84-32.7165.2-69.6-151141.800112.3E469 T470 P475 I476E469-E472 HydrophobicContact CG-CG 4.17Å; E469-E472 PolarHBondContact O-N 3.37Å; T470-E472 VanDerWaalsContact C-N 3.33Å; T470-E472 PolarHBondContact O-N 2.93Å; E472-P475 WeakPolarHBondContact O-CD 3.43Å; E472-I476 WeakPolarHBondContact O-CD1 3.38Å; E472-I476 WeakPolarHBondContact O-CG1 3.34Å
473I73.9Confident65.4Low73 Ų73117.4 Ų117.437%0.37464%0.641SS.*Hα-helixtrans-70.5-41.9-177.4-57.9176.3000111.3M468 T470 I476 L477M468-I473 WeakPolarHBondContact O-CD1 3.46Å; T470-I473 PolarHBondContact O-N 3Å; I473-I476 PolarHBondContact O-N 3.37Å; I473-I476 VanDerWaalsContact O-N 3.15Å; I473-L477 HydrophobicContact CG2-CD1 3.93Å; I473-L477 HydrophobicContact CG2-CG 4.22Å; I473-L477 WeakPolarHBondContact O-CG 3.48Å; I473-L477 PolarHBondContact O-N 3.2Å
474I77.8Confident65.9Low103 Ų103120.2 Ų120.253%0.52865%0.65SS.*Hα-helixtrans-59.3-49-177-70.6162.2000112.4T470 I476 L477 E478T470-I474 WeakPolarHBondContact O-CG1 3.34Å; T470-I474 PolarHBondContact O-N 2.87Å; I474-I476 VanDerWaalsContact C-N 3.28Å; I474-I476 PolarHBondContact O-N 3.45Å; I474-L477 PolarHBondContact O-N 3.18Å; I474-E478 PolarHBondContact O-N 2.93Å
475P75.3Confident66.3Low60 Ų60120.4 Ų120.439%0.3965%0.651SS.*Hα-helixtrans-62.2-29174.5-25.635000114.8D471 E472 K479D471-P475 WeakPolarHBondContact O-CD 3.45Å; D471-P475 WeakPolarHBondContact O-CG 3.35Å; E472-P475 WeakPolarHBondContact O-CD 3.43Å; P475-K479 WeakPolarHBondContact O-CB 3.18Å; P475-K479 VanDerWaalsContact O-CG 3.32Å; P475-K479 WeakPolarHBondContact O-CG 3.25Å; P475-K479 PolarHBondContact O-N 2.95Å
476I76.1Confident66.7Low100 Ų100121.7 Ų121.751%0.51365%0.647SS.*Hα-helixtrans-70.3-44175.4-65.8168.2000109.8E472 I473 I474 K479 L480E472-I476 WeakPolarHBondContact O-CD1 3.38Å; E472-I476 WeakPolarHBondContact O-CG1 3.34Å; I473-I476 PolarHBondContact O-N 3.37Å; I473-I476 VanDerWaalsContact O-N 3.15Å; I474-I476 VanDerWaalsContact C-N 3.28Å; I474-I476 PolarHBondContact O-N 3.45Å; I476-K479 PolarHBondContact O-N 3.12Å; I476-L480 HydrophobicContact CG2-CD1 3.97Å; I476-L480 WeakPolarHBondContact O-CG 3.26Å; I476-L480 PolarHBondContact O-N 2.93Å; I476-L480 VanDerWaalsContact O-N 3.14Å
477L71.8Confident66.7Low110 Ų110122.6 Ų122.658%0.57665%0.651SS**Hα-helixtrans-66.4-41.1176.6-66.1176000112.3I473 I474 K479 L480 A481I473-L477 HydrophobicContact CG2-CD1 3.93Å; I473-L477 HydrophobicContact CG2-CG 4.22Å; I473-L477 WeakPolarHBondContact O-CG 3.48Å; I473-L477 PolarHBondContact O-N 3.2Å; I474-L477 PolarHBondContact O-N 3.18Å; L477-K479 VanDerWaalsContact C-N 3.27Å; L477-K479 PolarHBondContact O-N 3.46Å; L477-L480 PolarHBondContact O-N 3.42Å; L477-L480 VanDerWaalsContact O-N 3.14Å; L477-A481 PolarHBondContact O-N 3.02Å
478E76.1Confident66.9Low149 Ų149121.9 Ų121.970%0.69665%0.646SS**Hα-helixtrans-58.4-39.1174.5-173.9178.9-16400111.7I474 L480I474-E478 PolarHBondContact O-N 2.93Å; E478-L480 VanDerWaalsContact C-N 3.35Å
479K72.1Confident66.6Low179 Ų179121 Ų12178%0.77865%0.652SS**Hα-helixtrans-80.5-10178.4-71.5177.165.5-173.40115P475 I476 L477P475-K479 WeakPolarHBondContact O-CB 3.18Å; P475-K479 VanDerWaalsContact O-CG 3.32Å; P475-K479 WeakPolarHBondContact O-CG 3.25Å; P475-K479 PolarHBondContact O-N 2.95Å; I476-K479 PolarHBondContact O-N 3.12Å; L477-K479 VanDerWaalsContact C-N 3.27Å; L477-K479 PolarHBondContact O-N 3.46Å
480L69.7Low65.9Low129 Ų129124.2 Ų124.268%0.67566%0.664SS**Hα-helixtrans-102.3-13174.3-69.6174.1000112.7I476 L477 E478 P482I476-L480 HydrophobicContact CG2-CD1 3.97Å; I476-L480 WeakPolarHBondContact O-CG 3.26Å; I476-L480 PolarHBondContact O-N 2.93Å; I476-L480 VanDerWaalsContact O-N 3.14Å; L477-L480 PolarHBondContact O-N 3.42Å; L477-L480 VanDerWaalsContact O-N 3.14Å; E478-L480 VanDerWaalsContact C-N 3.35Å; L480-P482 WeakPolarHBondContact O-CD 3.34Å
481A68Low65.2Low61 Ų61125.6 Ų125.650%0.50468%0.677SS.*SBendtrans-64.8124168.300000110.3L477 T483L477-A481 PolarHBondContact O-N 3.02Å; A481-T483 PolarHBondContact O-N 3.38Å
482P63.9Low64.3Low124 Ų124129.7 Ų129.781%0.80569%0.69SS**PPolyproline II helixtrans-63127173-21.333.5000110.5L480 E484L480-P482 WeakPolarHBondContact O-CD 3.34Å; P482-E484 PolarHBondContact O-N 2.85Å
483T63.3Low62.8Low124 Ų124127.6 Ų127.676%0.76170%0.695SS**PPolyproline II helixtrans-62.4118.3173.448.70000109.8A481 D485A481-T483 PolarHBondContact O-N 3.38Å; T483-D485 PolarHBondContact O-N 3.24Å
484E60.2Low61.3Low185 Ų185128.8 Ų128.886%0.86471%0.71SS**G310 helixtrans-68.12.8-168.461178.7178.700116.3P482 E486P482-E484 PolarHBondContact O-N 2.85Å; E484-E486 PolarHBondContact O-N 3.09Å
485D58.3Low59.8Low136 Ų136131.9 Ų131.973%0.72773%0.726SS**G310 helixtrans-71.5-30.4-167.6-158.236000114.2T483 L487T483-D485 PolarHBondContact O-N 3.24Å; D485-L487 VanDerWaalsContact C-N 3.33Å; D485-L487 PolarHBondContact O-N 3.07Å
486E62Low58.6Low173 Ų173135.5 Ų135.581%0.80874%0.742SS**G310 helixtrans-77.3-10.9-172.8-63.7-156139.700115E484 S488E484-E486 PolarHBondContact O-N 3.09Å; E486-S488 VanDerWaalsContact C-N 3.35Å
487L56.7Low57.1Low155 Ų155136.9 Ų136.981%0.81276%0.757SS**G310 helixtrans-87.21.8179.4-63.9-176.6000114.3D485 C489D485-L487 VanDerWaalsContact C-N 3.33Å; D485-L487 PolarHBondContact O-N 3.07Å; L487-C489 PolarHBondContact O-N 3.31Å
488S58Low55.5Low102 Ų102137.9 Ų137.971%0.71377%0.767SS**G310 helixtrans-73.8-5.6179.1-1690000114.8E486 F490E486-S488 VanDerWaalsContact C-N 3.35Å; S488-F490 VanDerWaalsContact C-N 3.3Å; S488-F490 PolarHBondContact O-N 2.8Å
489C51.8Low53.9Low116 Ų116139.2 Ų139.278%0.78477%0.774SS**G310 helixtrans-79.85.5-171.8-74.80000116.2L487L487-C489 PolarHBondContact O-N 3.31Å
490F48.4Very low52.6Low189 Ų189136.9 Ų136.983%0.82978%0.775SS**SBendtrans-88.7108.6167.1-81.3-80.2000111.3S488 K492S488-F490 VanDerWaalsContact C-N 3.3Å; S488-F490 PolarHBondContact O-N 2.8Å; F490-K492 PolarHBondContact O-N 2.94Å
491S46.7Very low51.3Low121 Ų121135.9 Ų135.985%0.84678%0.778SS**  trans-53.593.1179-65.50000113.2A493S491-A493 VanDerWaalsContact C-N 3.31Å; S491-A493 PolarHBondContact O-N 2.7Å
492K44.3Very low50.4Low203 Ų203141.9 Ų141.988%0.88380%0.796SS**  trans-73.180-178.9-162.8170.7-171.7170.80110.8F490 S494F490-K492 PolarHBondContact O-N 2.94Å; K492-S494 PolarHBondContact O-N 2.97Å; K492-S494 VanDerWaalsContact O-N 3.09Å
493A44Very low49.5Very low87 Ų87142.9 Ų142.972%0.71980%0.795SS**  trans-56.3113.2178.300000110.6S491 L495S491-A493 VanDerWaalsContact C-N 3.31Å; S491-A493 PolarHBondContact O-N 2.7Å; A493-L495 PolarHBondContact O-N 2.88Å
494S42.3Very low48.8Very low99 Ų99144.8 Ų144.869%0.69280%0.799SS**  trans-7598.3-172.5-171.50000111.6K492K492-S494 PolarHBondContact O-N 2.97Å; K492-S494 VanDerWaalsContact O-N 3.09Å
495L45.9Very low48.3Very low167 Ų167143 Ų14387%0.87479%0.791SS**  trans-94.984.2166.3-68.4-179.4000109.8A493A493-L495 PolarHBondContact O-N 2.88Å
496L50.2Low48.1Very low137 Ų137142.6 Ų142.672%0.71779%0.789SS**  trans-80.3135.7164.1-66.4176.7000109.8V498L496-V498 PolarHBondContact O-N 3.16Å
497P45.8Very low47.8Very low128 Ų128143.2 Ų143.283%0.83179%0.789SS**  trans-73.8119.6169.730.2-32000109.8
498V38.3Very low47.6Very low131 Ų131144.3 Ų144.379%0.79479%0.792SS**  trans-118.3119165.8174.60000107.6L496L496-V498 PolarHBondContact O-N 3.16Å
499E43Very low47.3Very low177 Ų177148.1 Ų148.183%0.82780%0.798SS**  trans-69.3138.5174.3-58.9174101.400110.9
500T43.6Very low47Very low130 Ų130145.8 Ų145.880%0.79879%0.794SS**  154.3152.3128.743.70000112.4
501S42.7Very low47.2Very low108 Ų108141.3 Ų141.376%0.75579%0.787SS**  trans58.4116.5-178.440.40000115.5
502Q49.3Very low47.3Very low188 Ų188145.3 Ų145.388%0.87979%0.789SS**  cis74.2123.741.3-160.5-1800.200113.5
503D45Very low47.3Very low145 Ų145139.4 Ų139.478%0.77579%0.785SS**  trans75.478.8164.5-146.847.7000118.4
504L48.7Very low47.7Very low164 Ų164140.6 Ų140.686%0.85979%0.788SS**  -156.1123.7127-138.3137.8000114.6
505E49.9Very low48.1Very low146 Ų146141.6 Ų141.668%0.68279%0.793SS**  trans-55.4146.9176.450.9-171.262.500118.8
506D53.6Low48.4Very low128 Ų128139 Ų13968%0.68479%0.788SS**  trans47.4105.9145.5-63.4-23.3000121.7
507K56.4Low48.6Very low186 Ų186142.3 Ų142.381%0.80980%0.797SS**  -176.3161.1101-95.4150-148.283.40115.2
508M51.2Low48.6Very low178 Ų178144.3 Ų144.388%0.87780%0.795SS**  trans8161.1165.7-148.1153.3-73.600117.4
509E52.8Low49.3Very low182 Ų182146.1 Ų146.185%0.8580%0.795SS**  -7.4126.7127.4-17062.1-99.600114.8
510G44Very low49.7Very low68 Ų68142.3 Ų142.370%0.70179%0.788SS**  trans-164.117.1-165.200000117.7
511S52.8Low50.2Low95 Ų95141 Ų14166%0.66478%0.784SS**  trans3889.3162.3178.30000118.7
512F50.5Low50.8Low205 Ų205144.1 Ų144.190%0.89979%0.787SS**  trans-142.2105.9132.9-85.4-67.8000109.9S514F512-S514 PolarHBondContact O-N 3.35Å
513G43.5Very low51.2Low78 Ų78142.5 Ų142.580%0.80478%0.784SS**  trans-67.6114.717400000110.2
514S52.8Low52Low112 Ų112143 Ų14378%0.78379%0.786SS**PPolyproline II helixtrans-64.1131.4171.5-65.50000109.4F512 S516F512-S514 PolarHBondContact O-N 3.35Å; S514-S516 PolarHBondContact O-N 3.03Å
515P51Low52.7Low121 Ų121140 Ų14079%0.78678%0.776SS**PPolyproline II helixtrans-60.9132.9170.926.5-33000108.6K517P515-K517 PolarHBondContact O-N 3.36Å
516S50.4Low53.2Low111 Ų111143.2 Ų143.278%0.77679%0.788SS**PPolyproline II helixtrans-57130.7-178.1-174.30000110.4S514 Q518S514-S516 PolarHBondContact O-N 3.03Å; S516-Q518 PolarHBondContact O-N 3.08Å
517K54.7Low53.6Low207 Ų207144.6 Ų144.690%0.979%0.79SS**  trans-69.986.5163.4-77.3-170.5176.1-176.20108.1P515 E519P515-K517 PolarHBondContact O-N 3.36Å; K517-E519 PolarHBondContact O-N 3.31Å; K517-E519 VanDerWaalsContact O-N 3.11Å
518Q46.7Very low53.6Low170 Ų170139.6 Ų139.679%0.79478%0.784SS**  trans-64.3111.7166.4-173168.5-67.500108S516 S520S516-Q518 PolarHBondContact O-N 3.08Å; Q518-S520 VanDerWaalsContact C-N 3.26Å; Q518-S520 PolarHBondContact O-N 3.02Å
519E52.4Low54.2Low169 Ų169138.5 Ų138.579%0.7977%0.774SS**  trans-67.383.8173.1-178.1179.774.200109.2K517 S521K517-E519 PolarHBondContact O-N 3.31Å; K517-E519 VanDerWaalsContact O-N 3.11Å; E519-S521 PolarHBondContact O-N 2.83Å
520S51.6Low54.7Low97 Ų97137 Ų13768%0.67877%0.771SS**  trans-74.973.5169.860.30000109.5Q518 E522Q518-S520 VanDerWaalsContact C-N 3.26Å; Q518-S520 PolarHBondContact O-N 3.02Å; S520-E522 PolarHBondContact O-N 3.09Å
521S53.3Low55.7Low102 Ų102139 Ų13971%0.71377%0.77SS**  trans-74.561.6172.849.80000111E519E519-S521 PolarHBondContact O-N 2.83Å
522E55.9Low55.9Low175 Ų175140.9 Ų140.982%0.81877%0.772SS**  trans-115.7141.8-179.6-167.5154.7-164.500111.7S520 L524S520-E522 PolarHBondContact O-N 3.09Å; E522-L524 PolarHBondContact O-N 3.08Å; E522-L524 VanDerWaalsContact O-N 3.08Å
523N57.1Low56.4Low154 Ų154134.8 Ų134.882%0.82475%0.754SS**  trans-76.8100-158.7-70.3-6.3000113P525N523-P525 WeakPolarHBondContact O-CD 3.33Å
524L62.5Low56.8Low156 Ų156138.6 Ų138.682%0.81776%0.756SS**  trans-62124.3153.2-65.8178.6000108.8E522 K526E522-L524 PolarHBondContact O-N 3.08Å; E522-L524 VanDerWaalsContact O-N 3.08Å; L524-K526 PolarHBondContact O-N 3.2Å
525P62.8Low57.3Low101 Ų101139.9 Ų139.966%0.65675%0.75SS**  trans-64.2129.8172.727.2-32.9000109N523 E527N523-P525 WeakPolarHBondContact O-CD 3.33Å; P525-E527 PolarHBondContact O-N 3.18Å; P525-E527 VanDerWaalsContact O-N 3.11Å
526K60.8Low57.4Low213 Ų213141.7 Ų141.793%0.92675%0.748SS**SBendtrans-70.7-5.7-173.7-69.5-175175.6-178.60114.5L524L524-K526 PolarHBondContact O-N 3.2Å
527E61.6Low57.7Low156 Ų156143.6 Ų143.673%0.72975%0.749SS**  trans-13068.5-174.8-67.8-178.9135.100109.7P525 F529P525-E527 PolarHBondContact O-N 3.18Å; P525-E527 VanDerWaalsContact O-N 3.11Å; E527-F529 VanDerWaalsContact C-N 3.25Å; E527-F529 HydrophobicContact CB-CD1 3.94Å; E527-F529 HydrophobicContact CB-CE1 4.01Å; E527-F529 PolarHBondContact O-N 3.21Å
528A58.2Low57.7Low81 Ų81140.6 Ų140.667%0.66974%0.742SS**  trans-88.966.216100000108.9L530A528-L530 PolarHBondContact O-N 3.03Å
529F63.2Low57.9Low156 Ų156138.1 Ų138.168%0.68474%0.744SS**  trans-65.9118.917240.1-97.5000109E527 V531E527-F529 VanDerWaalsContact C-N 3.25Å; E527-F529 HydrophobicContact CB-CD1 3.94Å; E527-F529 HydrophobicContact CB-CE1 4.01Å; E527-F529 PolarHBondContact O-N 3.21Å; F529-V531 HydrophobicContact CD2-CG2 3.88Å; F529-V531 HydrophobicContact CE2-CG2 4.32Å; F529-V531 PolarHBondContact O-N 3.03Å
530L62.3Low57.5Low150 Ų150135.5 Ų135.579%0.78574%0.743SS**  trans-71.299.5164.7-82.381000107.1A528 L532A528-L530 PolarHBondContact O-N 3.03Å; L530-L532 HydrophobicContact CD2-CD2 4.34Å; L530-L532 PolarHBondContact O-N 3.1Å
531V64.8Low57.2Low110 Ų110134.6 Ų134.667%0.66775%0.749SS**  trans-68.495.5155-171.80000105.8F529 S533F529-V531 HydrophobicContact CD2-CG2 3.88Å; F529-V531 HydrophobicContact CE2-CG2 4.32Å; F529-V531 PolarHBondContact O-N 3.03Å; V531-S533 PolarHBondContact O-N 3.2Å
532L58.2Low57Low135 Ų135138.7 Ų138.771%0.70775%0.754SS**  trans-72.8104.9158.1-61.7178.7000105L530 D534L530-L532 HydrophobicContact CD2-CD2 4.34Å; L530-L532 PolarHBondContact O-N 3.1Å; L532-D534 PolarHBondContact O-N 3.23Å; L532-D534 VanDerWaalsContact O-N 3.15Å
533S60.1Low56.6Low76 Ų76137 Ų13753%0.53175%0.751SS.*  trans-67.9107162.8-63.20000107.5V531 E535V531-S533 PolarHBondContact O-N 3.2Å; S533-E535 WeakPolarHBondContact CB-OE1 3.4Å; S533-E535 PolarHBondContact O-N 3.2Å; S533-E535 PolarHBondContact OG-OE1 3.04Å
534D52.8Low55.8Low158 Ų158138.5 Ų138.585%0.84575%0.753SS**  trans-71.654.715844.8-34.3000110.3L532 E536L532-D534 PolarHBondContact O-N 3.23Å; L532-D534 VanDerWaalsContact O-N 3.15Å; D534-E536 PolarHBondContact O-N 3.1Å
535E62.1Low55.2Low140 Ų140136 Ų13665%0.65475%0.748SS**  trans-84.694169.561.7-164.310500109.4S533 D537S533-E535 WeakPolarHBondContact CB-OE1 3.4Å; S533-E535 PolarHBondContact O-N 3.2Å; S533-E535 PolarHBondContact OG-OE1 3.04Å; E535-D537 PolarHBondContact O-N 3.38Å; E535-D537 VanDerWaalsContact O-N 3.08Å
536E54.6Low54.1Low159 Ų159139 Ų13974%0.74375%0.754SS**  trans-70.395.6169.150.4-176.985.300110.2D534 L538D534-E536 PolarHBondContact O-N 3.1Å; E536-L538 PolarHBondContact O-N 3.22Å
537D55.6Low53.3Low151 Ų151133.5 Ų133.581%0.80775%0.748SS**  trans-61.381.4170.4-96-39000110.4E535 S539E535-D537 PolarHBondContact O-N 3.38Å; E535-D537 VanDerWaalsContact O-N 3.08Å; D537-S539 PolarHBondContact O-N 3.24Å
538L55.4Low52.5Low143 Ų143130.8 Ų130.875%0.74974%0.741SS**  trans-60106.6166.7-68.5179.7000107.9E536 C540E536-L538 PolarHBondContact O-N 3.22Å; L538-C540 PolarHBondContact O-N 3.46Å
539S51.4Low51.7Low119 Ų119131.2 Ų131.283%0.83275%0.745SS**  trans-66.489-16861.20000112D537 G541D537-S539 PolarHBondContact O-N 3.24Å; S539-G541 PolarHBondContact O-N 2.78Å
540C42.8Very low50.7Low114 Ų114131.6 Ų131.677%0.7775%0.749SS**  trans-60.8102.5169.3-1780000108.7L538 K542L538-C540 PolarHBondContact O-N 3.46Å; C540-K542 PolarHBondContact O-N 3.46Å
541G46.1Very low49.6Very low78 Ų78129.9 Ų129.980%0.80475%0.75SS**  trans-63.296176.700000109.9S539 D543S539-G541 PolarHBondContact O-N 2.78Å; G541-D543 PolarHBondContact O-N 3.5Å
542K48.3Very low48.6Very low187 Ų187133.4 Ų133.481%0.81376%0.756SS**  trans-92.2102.6-176.9-171.7146.9-173.4166.20110.3C540 E544C540-K542 PolarHBondContact O-N 3.46Å; K542-E544 PolarHBondContact O-N 3.37Å
543D47.4Very low47.6Very low140 Ų140134.4 Ų134.475%0.74976%0.759SS**  trans-42.7117.3171.8-164.5-92.5000111.5G541 S545G541-D543 PolarHBondContact O-N 3.5Å; D543-S545 PolarHBondContact O-N 3.4Å
544E40.4Very low46.7Very low186 Ų186136 Ų13687%0.86977%0.77SS**  trans-89.388.6-178.158.5-176.3114.800110.7K542 E546K542-E544 PolarHBondContact O-N 3.37Å; E544-E546 PolarHBondContact O-N 2.98Å
545S49.4Very low46.1Very low104 Ų104133.6 Ų133.673%0.72776%0.761SS**  trans-61.8107.2-177.8-48.80000111.9D543 A547D543-S545 PolarHBondContact O-N 3.4Å; S545-A547 PolarHBondContact O-N 3.01Å; S545-A547 VanDerWaalsContact O-N 3.11Å
546E41.5Very low45.6Very low164 Ų164132.8 Ų132.877%0.76677%0.768SS**  trans-59.1111.1-176-170.5-173.514700112.3E544 V548E544-E546 PolarHBondContact O-N 2.98Å; E546-V548 VanDerWaalsContact C-N 3.31Å; E546-V548 HydrophobicContact CG-CG2 4.09Å; E546-V548 PolarHBondContact O-N 2.88Å; E546-V548 WeakPolarHBondContact OE1-CG2 3.38Å
547A44Very low45.2Very low97 Ų97134.7 Ų134.780%0.80278%0.777SS**  trans-7977175.700000111S545 A549S545-A547 PolarHBondContact O-N 3.01Å; S545-A547 VanDerWaalsContact O-N 3.11Å; A547-A549 PolarHBondContact O-N 3.01Å
548V43.8Very low44.7Very low98 Ų98130.9 Ų130.959%0.59477%0.773SS**  trans-58.297.1179.7-1790000111.3E546 Q550E546-V548 VanDerWaalsContact C-N 3.31Å; E546-V548 HydrophobicContact CG-CG2 4.09Å; E546-V548 PolarHBondContact O-N 2.88Å; E546-V548 WeakPolarHBondContact OE1-CG2 3.38Å; V548-Q550 PolarHBondContact O-N 3.32Å
549A42.4Very low43.9Very low91 Ų91137.3 Ų137.375%0.75280%0.8SS**  trans-72.695.517200000109.7A547 S551A547-A549 PolarHBondContact O-N 3.01Å; A549-S551 PolarHBondContact O-N 2.98Å
550Q41.5Very low43.5Very low163 Ų163138.2 Ų138.276%0.76280%0.798SS**  trans-60.896.7178-72.1-172-11.100111.8V548 K552V548-Q550 PolarHBondContact O-N 3.32Å; Q550-K552 PolarHBondContact O-N 3.31Å; Q550-K552 VanDerWaalsContact O-N 3.07Å
551S40.1Very low43.5Very low114 Ų114139.5 Ų139.580%0.79780%0.799SS**  trans-67.3101.9170.246.50000109.6A549 M553A549-S551 PolarHBondContact O-N 2.98Å; S551-M553 VanDerWaalsContact C-N 3.28Å; S551-M553 PolarHBondContact O-N 3.48Å
552K42.4Very low43.4Very low185 Ų185142.9 Ų142.980%0.80480%0.799SS**  trans-70.784.7175.9-67.6-175-179.1-179.80110.3Q550 S554Q550-K552 PolarHBondContact O-N 3.31Å; Q550-K552 VanDerWaalsContact O-N 3.07Å; K552-S554 PolarHBondContact O-N 3.24Å
553M37.9Very low43.1Very low155 Ų155140.3 Ų140.376%0.76480%0.798SS**  trans-66.995.5169.5178.458.8-172.100109.5S551 T555S551-M553 VanDerWaalsContact C-N 3.28Å; S551-M553 PolarHBondContact O-N 3.48Å; M553-T555 HydrophobicContact CE-CG2 4.18Å; M553-T555 HydrophobicContact CG-CG2 4.46Å; M553-T555 PolarHBondContact O-N 3.44Å; M553-T555 VanDerWaalsContact O-N 3.09Å
554S40.7Very low42.8Very low109 Ų109140.3 Ų140.376%0.76280%0.801SS**  trans-7296.5172.3-63.40000110.6K552K552-S554 PolarHBondContact O-N 3.24Å
555T40.3Very low43Very low108 Ų108137.3 Ų137.366%0.66380%0.797SS**PPolyproline II helixtrans-81.8132.5159.549.40000109.7M553M553-T555 HydrophobicContact CE-CG2 4.18Å; M553-T555 HydrophobicContact CG-CG2 4.46Å; M553-T555 PolarHBondContact O-N 3.44Å; M553-T555 VanDerWaalsContact O-N 3.09Å
556P52.6Low42.5Very low124 Ų124139.6 Ų139.681%0.80580%0.802SS**PPolyproline II helixtrans-73134178.529.8-33.9000111.5
557E45.5Very low42.6Very low198 Ų198137.8 Ų137.893%0.92581%0.805SS**PPolyproline II helixtrans-75.8151.1156.6-154.7172.7146.500108.6
558G45Very low42.5Very low71 Ų71141.2 Ų141.273%0.73281%0.805SS**  trans-108.8178.4-163.200000116.5
559E38Very low42.4Very low278 Ų278145.1 Ų145.1100%1.29982%0.824SS**  trans-1260151.9-76-164.4100.800108.9

Retrieved 559 of 559 residues in 232.3 ms (Link to these results)