A0A3Q0KLJ0_SCHMA Loading...

Putative myocyte-specific enhancer factor 2a

AlphaFold DB , UniProt , Accession A0A3Q0KLJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 733 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
1M69.1Low91.9Very high241 Ų241146.8 Ų146.8100%1.18770%0.698SS**  01530-166.9538000109
2G87.3Confident92.3Very high54 Ų54145.6 Ų145.656%0.55771%0.707SS**  trans-73.1165.1173.500000112.9K4G2-K4 VanDerWaalsContact C-N 3.25Å; G2-K4 PolarHBondContact O-N 2.61Å
3R94.3Very high92.6Very high261 Ų261139.8 Ų139.899%0.98568%0.682SS**SBendtrans-65.2-24.8179.2-69.1-176-179170.5-0.3113.9
4K95.2Very high92.8Very high181 Ų181136.8 Ų136.879%0.78767%0.665SS**SBendtrans-145.1149.9173.3-63.3-172.4178.3-1750108.3G2G2-K4 VanDerWaalsContact C-N 3.25Å; G2-K4 PolarHBondContact O-N 2.61Å
5K94.6Very high93Very high193 Ų193141.3 Ų141.384%0.83967%0.672SS**  trans-66.6140.9163.6-172.5179-179.9-176.50107.5
6I94.3Very high93.2Very high90 Ų90138.3 Ų138.346%0.46266%0.662SS.*  trans-120151.9171.766.9168.3000109.5
7L94.8Very high93.4Very high131 Ų131134 Ų13469%0.68664%0.637SS**  trans-72.6149.1171.1-59.6175.9000109.8K9L7-K9 HydrophobicContact CB-CG 4.4Å; L7-K9 PolarHBondContact O-N 2.9Å
8I94.6Very high93.6Very high147 Ų147132.1 Ų132.175%0.75463%0.628SS**SBendtrans-83.993172.1-54.3-55000107.7
9K94.9Very high93.7Very high158 Ų158128.6 Ų128.669%0.68762%0.616SS**SBendtrans-154.4166.2173.365.8178.2-173.5174.10110.5L7 I11L7-K9 HydrophobicContact CB-CG 4.4Å; L7-K9 PolarHBondContact O-N 2.9Å; K9-I11 PolarHBondContact O-N 3.04Å
10K95.4Very high93.9Very high110 Ų110123.9 Ų123.948%0.47860%0.596SS.*  trans-52.8121.7176.1-164.7164.7-176.6171.20109.9T12 V625K10-T12 PolarHBondContact O-N 3.45Å; K10-V625 PolarHBondContact NZ-O 3.47Å
11I96.5Very high94Very high49 Ų49120.1 Ų120.125%0.25158%0.577SS.*  trans-73.9122.8176.4-61.8173.1000107.2K9 N16 R17 T20K9-I11 PolarHBondContact O-N 3.04Å; I11-N16 HydrophobicContact CG2-CB 4.23Å; I11-R17 HydrophobicContact CB-CB 4.1Å; I11-R17 HydrophobicContact CG2-CB 4.07Å; I11-R17 PolarHBondContact O-NH1 2.9Å; I11-T20 HydrophobicContact CD1-CG2 3.77Å
12T96.5Very high95.3Very high132 Ų132111.6 Ų111.681%0.8154%0.538SS*.SBendtrans-71.8-51.4-173.847.40000112.7K10 E14 R17K10-T12 PolarHBondContact O-N 3.45Å; T12-E14 PolarHBondContact O-N 3.2Å; T12-R17 PolarHBondContact O-NH1 2.79Å
13D95.9Very high95.8Very high71 Ų71116 Ų11638%0.3854%0.542SS..SBendtrans-67.8119.1176.9166.721.8000111.7R15 N16 R17D13-R15 VanDerWaalsContact C-N 3.34Å; D13-R15 PolarHBondContact O-N 3.47Å; D13-R15 PolarHBondContact OD1-N 2.74Å; D13-N16 HydrophobicContact CB-CB 4.4Å; D13-N16 PolarHBondContact O-N 2.99Å; D13-N16 WeakPolarHBondContact OD2-CB 3.2Å; D13-N16 PolarHBondContact OD2-N 2.84Å; D13-N16 PolarHBondContact OD2-ND2 3.01Å; D13-R17 VanDerWaalsContact O-CB 3.27Å; D13-R17 WeakPolarHBondContact O-CB 3.17Å; D13-R17 PolarHBondContact O-N 2.98Å
14E95.8Very high95.9Very high97 Ų97110 Ų11045%0.45352%0.519SS..Hα-helixtrans-58-40.7178.9-174.664.2-79.300113T12 N16 R17 Q18T12-E14 PolarHBondContact O-N 3.2Å; E14-N16 PolarHBondContact O-N 3.36Å; E14-R17 WeakPolarHBondContact O-CB 3.43Å; E14-R17 PolarHBondContact O-N 3.17Å; E14-R17 IonicContact OE1-CZ 3.67Å; E14-R17 IonicContact OE1-NE 3.54Å; E14-R17 PolarHBondContact OE1-NE 3.48Å; E14-R17 IonicContact OE1-NH2 2.98Å; E14-R17 PolarHBondContact OE1-NH2 2.8Å; E14-R17 IonicContact OE2-CZ 3.13Å; E14-R17 IonicContact OE2-NE 2.74Å; E14-R17 IonicContact OE2-NH2 2.78Å; E14-R17 PolarHBondContact OE2-NH2 3.26Å; E14-Q18 PolarHBondContact O-N 3.46Å
15R96.5Very high96Very high204 Ų204102.9 Ų102.977%0.7749%0.488SS*.Hα-helixtrans-65.9-43.4-176.4-172.5-179.2-67171.70110.7D13 V19D13-R15 VanDerWaalsContact C-N 3.34Å; D13-R15 PolarHBondContact O-N 3.47Å; D13-R15 PolarHBondContact OD1-N 2.74Å; R15-V19 WeakPolarHBondContact O-CB 3.19Å; R15-V19 VanDerWaalsContact O-CG2 3.28Å; R15-V19 WeakPolarHBondContact O-CG2 3.45Å; R15-V19 PolarHBondContact O-N 3.24Å
16N96.3Very high96.1Very high94 Ų9497.9 Ų97.950%0.50347%0.47SS..Hα-helixtrans-72.2-32.1173.7-84-59000112.6I11 D13 E14 T20I11-N16 HydrophobicContact CG2-CB 4.23Å; D13-N16 HydrophobicContact CB-CB 4.4Å; D13-N16 PolarHBondContact O-N 2.99Å; D13-N16 WeakPolarHBondContact OD2-CB 3.2Å; D13-N16 PolarHBondContact OD2-N 2.84Å; D13-N16 PolarHBondContact OD2-ND2 3.01Å; E14-N16 PolarHBondContact O-N 3.36Å; N16-T20 WeakPolarHBondContact O-CB 3.1Å; N16-T20 PolarHBondContact O-N 3.45Å; N16-T20 PolarHBondContact O-OG1 3Å
17R96.5Very high96.3Very high65 Ų6595.5 Ų95.525%0.24547%0.468CS..Hα-helixtrans-61.5-55.6173.4176.3166.259.3-129.313.7111I11 T12 D13 E14 V19 T20 F21I11-R17 HydrophobicContact CB-CB 4.1Å; I11-R17 HydrophobicContact CG2-CB 4.07Å; I11-R17 PolarHBondContact O-NH1 2.9Å; T12-R17 PolarHBondContact O-NH1 2.79Å; D13-R17 VanDerWaalsContact O-CB 3.27Å; D13-R17 WeakPolarHBondContact O-CB 3.17Å; D13-R17 PolarHBondContact O-N 2.98Å; E14-R17 WeakPolarHBondContact O-CB 3.43Å; E14-R17 PolarHBondContact O-N 3.17Å; E14-R17 IonicContact OE1-CZ 3.67Å; E14-R17 IonicContact OE1-NE 3.54Å; E14-R17 PolarHBondContact OE1-NE 3.48Å; E14-R17 IonicContact OE1-NH2 2.98Å; E14-R17 PolarHBondContact OE1-NH2 2.8Å; E14-R17 IonicContact OE2-CZ 3.13Å; E14-R17 IonicContact OE2-NE 2.74Å; E14-R17 IonicContact OE2-NH2 2.78Å; E14-R17 PolarHBondContact OE2-NH2 3.26Å; R17-V19 PolarHBondContact O-N 3.04Å; R17-T20 CarbonylContact O-C 3.57Å; R17-T20 PolarHBondContact O-N 3.43Å; R17-T20 VanDerWaalsContact O-N 3.14Å; R17-F21 WeakPolarHBondContact O-CB 3.39Å; R17-F21 PolarHBondContact O-N 3.28Å
18Q95.8Very high96.4Very high99 Ų9992.1 Ų92.146%0.46345%0.45SS..Hα-helixtrans-62.4-46-179.2-176.263.4-7.600112.4E14 T20 F21 T22E14-Q18 PolarHBondContact O-N 3.46Å; Q18-T20 PolarHBondContact O-N 2.69Å; Q18-F21 PolarHBondContact O-N 2.86Å; Q18-F21 VanDerWaalsContact O-N 3.16Å; Q18-T22 PolarHBondContact O-N 3.13Å; Q18-T22 PolarHBondContact O-OG1 3.4Å; Q18-T22 VanDerWaalsContact O-OG1 3.1Å
19V96.7Very high96.5Very high67 Ų6785.2 Ų85.241%0.40642%0.415SS..Hα-helixtrans-62.3-32.6176.1171.90000112R15 R17 K23R15-V19 WeakPolarHBondContact O-CB 3.19Å; R15-V19 VanDerWaalsContact O-CG2 3.28Å; R15-V19 WeakPolarHBondContact O-CG2 3.45Å; R15-V19 PolarHBondContact O-N 3.24Å; R17-V19 PolarHBondContact O-N 3.04Å; V19-K23 HydrophobicContact CG1-CD 4.16Å; V19-K23 WeakPolarHBondContact O-CB 3.47Å; V19-K23 WeakPolarHBondContact O-CD 3.48Å; V19-K23 WeakPolarHBondContact O-CG 3.44Å; V19-K23 PolarHBondContact O-N 2.95Å
20T96.8Very high96.7Very high34 Ų3483.6 Ų83.621%0.20941%0.408CS..Hα-helixtrans-74.6-40.7174.6-600000111.5I11 N16 R17 Q18 K23 R24I11-T20 HydrophobicContact CD1-CG2 3.77Å; N16-T20 WeakPolarHBondContact O-CB 3.1Å; N16-T20 PolarHBondContact O-N 3.45Å; N16-T20 PolarHBondContact O-OG1 3Å; R17-T20 CarbonylContact O-C 3.57Å; R17-T20 PolarHBondContact O-N 3.43Å; R17-T20 VanDerWaalsContact O-N 3.14Å; Q18-T20 PolarHBondContact O-N 2.69Å; T20-K23 PolarHBondContact O-N 3.04Å; T20-R24 HydrophobicContact CG2-CG 4.07Å; T20-R24 VanDerWaalsContact O-CB 3.29Å; T20-R24 WeakPolarHBondContact O-CB 3.25Å; T20-R24 WeakPolarHBondContact O-CG 3.48Å; T20-R24 PolarHBondContact O-N 2.89Å
21F97Very high96.8Very high45 Ų4584 Ų8420%0.19741%0.41CS..Hα-helixtrans-59-56176.4175.5-103.7000111R17 Q18 K23 R24 K25 V47 T49 F55R17-F21 WeakPolarHBondContact O-CB 3.39Å; R17-F21 PolarHBondContact O-N 3.28Å; Q18-F21 PolarHBondContact O-N 2.86Å; Q18-F21 VanDerWaalsContact O-N 3.16Å; F21-K23 VanDerWaalsContact C-N 3.28Å; F21-K23 PolarHBondContact O-N 2.83Å; F21-R24 PolarHBondContact O-N 3.48Å; F21-R24 VanDerWaalsContact O-N 3.15Å; F21-K25 HydrophobicContact CE1-CD 3.97Å; F21-K25 HydrophobicContact CZ-CD 3.84Å; F21-K25 VanDerWaalsContact O-CB 3.26Å; F21-K25 WeakPolarHBondContact O-CB 3.49Å; F21-K25 PolarHBondContact O-N 3.27Å; F21-V47 HydrophobicContact CE2-CG1 3.8Å; F21-V47 HydrophobicContact CZ-CG1 4.08Å; F21-T49 HydrophobicContact CD1-CG2 4.45Å; F21-T49 HydrophobicContact CE1-CG2 3.68Å; F21-T49 HydrophobicContact CE2-CG2 3.88Å; F21-T49 HydrophobicContact CZ-CG2 3.34Å; F21-F55 HydrophobicContact CE1-CD2 4.02Å; F21-F55 AromaticContact CE1-CE2 3.68Å; F21-F55 HydrophobicContact CE1-CE2 3.68Å; F21-F55 HydrophobicContact CE1-CZ 4.12Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.86Å; F21-F55 HydrophobicContact CZ-CE2 3.86Å
22T96.1Very high96.9Very high61 Ų6181.7 Ų81.737%0.37440%0.398SS..Hα-helixtrans-54-44.6179.2-48.90000111.9Q18 L26Q18-T22 PolarHBondContact O-N 3.13Å; Q18-T22 PolarHBondContact O-OG1 3.4Å; Q18-T22 VanDerWaalsContact O-OG1 3.1Å; T22-L26 HydrophobicContact CG2-CD1 4.45Å; T22-L26 WeakPolarHBondContact O-CG 3.16Å; T22-L26 PolarHBondContact O-N 3.14Å
23K96.6Very high96.9Very high147 Ų14779.9 Ų79.964%0.63938%0.377SS*.Hα-helixtrans-72-36.9-179.2-70.7174-177.6171.30113.2V19 T20 F21 G27V19-K23 HydrophobicContact CG1-CD 4.16Å; V19-K23 WeakPolarHBondContact O-CB 3.47Å; V19-K23 WeakPolarHBondContact O-CD 3.48Å; V19-K23 WeakPolarHBondContact O-CG 3.44Å; V19-K23 PolarHBondContact O-N 2.95Å; T20-K23 PolarHBondContact O-N 3.04Å; F21-K23 VanDerWaalsContact C-N 3.28Å; F21-K23 PolarHBondContact O-N 2.83Å; K23-G27 PolarHBondContact O-N 3.12Å; K23-G27 VanDerWaalsContact O-N 3.09Å
24R97.4Very high97Very high136 Ų13679.4 Ų79.451%0.51337%0.373SS..Hα-helixtrans-75.1-38.3176.9-75-173.6176-163.2-5.6112.3T20 F21 G27 L28T20-R24 HydrophobicContact CG2-CG 4.07Å; T20-R24 VanDerWaalsContact O-CB 3.29Å; T20-R24 WeakPolarHBondContact O-CB 3.25Å; T20-R24 WeakPolarHBondContact O-CG 3.48Å; T20-R24 PolarHBondContact O-N 2.89Å; F21-R24 PolarHBondContact O-N 3.48Å; F21-R24 VanDerWaalsContact O-N 3.15Å; R24-G27 CarbonylContact O-C 3.55Å; R24-G27 PolarHBondContact O-N 2.88Å; R24-L28 WeakPolarHBondContact O-CB 3.46Å; R24-L28 PolarHBondContact O-N 3.05Å
25K97.1Very high97.1Very high31 Ų3178.2 Ų78.214%0.13537%0.369CS..Hα-helixtrans-55.5-53.4173.6-176.3175.184.684.50110.8F21 G27 L28 M29 F55F21-K25 HydrophobicContact CE1-CD 3.97Å; F21-K25 HydrophobicContact CZ-CD 3.84Å; F21-K25 VanDerWaalsContact O-CB 3.26Å; F21-K25 WeakPolarHBondContact O-CB 3.49Å; F21-K25 PolarHBondContact O-N 3.27Å; K25-G27 PolarHBondContact O-N 3.22Å; K25-L28 PolarHBondContact O-N 3.42Å; K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CD-SD 4.45Å; K25-M29 HydrophobicContact CG-CE 3.84Å; K25-M29 HydrophobicContact CG-SD 3.75Å; K25-M29 WeakPolarHBondContact O-CB 3.49Å; K25-M29 VanDerWaalsContact O-CG 3.3Å; K25-M29 WeakPolarHBondContact O-CG 3.38Å; K25-M29 PolarHBondContact O-N 3.46Å; K25-F55 HydrophobicContact CD-CB 3.78Å; K25-F55 HydrophobicContact CD-CD1 3.84Å; K25-F55 HydrophobicContact CD-CD2 4.24Å; K25-F55 HydrophobicContact CD-CE1 4.45Å; K25-F55 HydrophobicContact CD-CG 3.69Å; K25-F55 VanDerWaalsContact CE-CD1 3.49Å; K25-F55 VanDerWaalsContact NZ-CD1 3.32Å
26L97Very high97.2Very high87 Ų8768.9 Ų68.946%0.45534%0.335SS..Hα-helixtrans-61.8-41.4176.1-67.9171.5000112.3T22 L28 K30T22-L26 HydrophobicContact CG2-CD1 4.45Å; T22-L26 WeakPolarHBondContact O-CG 3.16Å; T22-L26 PolarHBondContact O-N 3.14Å; L26-L28 VanDerWaalsContact C-N 3.35Å; L26-L28 PolarHBondContact O-N 2.74Å; L26-K30 WeakPolarHBondContact O-CB 3.26Å; L26-K30 PolarHBondContact O-N 2.99Å
27G97.5Very high97.2Very high41 Ų4170 Ų7042%0.42334%0.34SS..Hα-helixtrans-62.8-37175.500000113.7K23 R24 K25 K31K23-G27 PolarHBondContact O-N 3.12Å; K23-G27 VanDerWaalsContact O-N 3.09Å; R24-G27 CarbonylContact O-C 3.55Å; R24-G27 PolarHBondContact O-N 2.88Å; K25-G27 PolarHBondContact O-N 3.22Å; G27-K31 WeakPolarHBondContact O-CG 3.3Å; G27-K31 PolarHBondContact O-N 2.98Å
28L98Very high97.3Very high59 Ų5973.7 Ų73.731%0.30936%0.364SS..Hα-helixtrans-75.2-46.6178-179.263.7000111.6R24 K25 L26 K30 K31 A32 L45 L630R24-L28 WeakPolarHBondContact O-CB 3.46Å; R24-L28 PolarHBondContact O-N 3.05Å; K25-L28 PolarHBondContact O-N 3.42Å; L26-L28 VanDerWaalsContact C-N 3.35Å; L26-L28 PolarHBondContact O-N 2.74Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.13Å; L28-K31 CarbonylContact O-C 3.57Å; L28-K31 WeakPolarHBondContact O-CA 3.42Å; L28-K31 WeakPolarHBondContact O-CB 3.44Å; L28-K31 PolarHBondContact O-N 3.11Å; L28-A32 PolarHBondContact O-N 3.02Å; L28-L45 HydrophobicContact CD2-CD1 4.06Å; L28-L45 HydrophobicContact CD2-CD2 3.92Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; L28-L630 HydrophobicContact CD2-CD1 3.75Å
29M97.5Very high97.4Very high2 Ų272.6 Ų72.61%0.0137%0.366CS..Hα-helixtrans-58.3-42.3175.5-71.6170.3162.800111.3K25 K31 A32 Y33 L45 F55 Q56 Y57 Y199K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CD-SD 4.45Å; K25-M29 HydrophobicContact CG-CE 3.84Å; K25-M29 HydrophobicContact CG-SD 3.75Å; K25-M29 WeakPolarHBondContact O-CB 3.49Å; K25-M29 VanDerWaalsContact O-CG 3.3Å; K25-M29 WeakPolarHBondContact O-CG 3.38Å; K25-M29 PolarHBondContact O-N 3.46Å; M29-K31 VanDerWaalsContact C-N 3.27Å; M29-K31 PolarHBondContact O-N 3.42Å; M29-A32 PolarHBondContact O-N 3.41Å; M29-Y33 PolarHBondContact O-N 3.27Å; M29-L45 HydrophobicContact CG-CD2 4.16Å; M29-F55 HydrophobicContact CE-CB 4.33Å; M29-Q56 WeakPolarHBondContact CE-O 3.47Å; M29-Y57 HydrophobicContact CG-CG 4.44Å; M29-Y199 HydrophobicContact CB-CE1 4.48Å; M29-Y199 HydrophobicContact SD-CD1 4.28Å; M29-Y199 HydrophobicContact SD-CE1 3.92Å
30K97.9Very high97.4Very high124 Ų12475.7 Ų75.754%0.53938%0.38SS..Hα-helixtrans-60.5-35.1171.8175160.9176.4150.20112.5L26 L28 E34L26-K30 WeakPolarHBondContact O-CB 3.26Å; L26-K30 PolarHBondContact O-N 2.99Å; L28-K30 VanDerWaalsContact C-N 3.3Å; L28-K30 PolarHBondContact O-N 3.13Å; K30-E34 WeakPolarHBondContact CE-OE1 3.44Å; K30-E34 HydrophobicContact CG-CG 4.36Å; K30-E34 IonicContact NZ-OE1 3.88Å; K30-E34 WeakPolarHBondContact O-CB 3.33Å; K30-E34 VanDerWaalsContact O-CG 3.26Å; K30-E34 WeakPolarHBondContact O-CG 3.43Å; K30-E34 PolarHBondContact O-N 3.22Å
31K98.1Very high97.3Very high119 Ų11974.6 Ų74.652%0.51737%0.374SS..Hα-helixtrans-74.8-35.2176.8-72.5-147.3152.4-63.70113.8G27 L28 M29 Y33 E34 L35G27-K31 WeakPolarHBondContact O-CG 3.3Å; G27-K31 PolarHBondContact O-N 2.98Å; L28-K31 CarbonylContact O-C 3.57Å; L28-K31 WeakPolarHBondContact O-CA 3.42Å; L28-K31 WeakPolarHBondContact O-CB 3.44Å; L28-K31 PolarHBondContact O-N 3.11Å; M29-K31 VanDerWaalsContact C-N 3.27Å; M29-K31 PolarHBondContact O-N 3.42Å; K31-Y33 VanDerWaalsContact C-N 3.34Å; K31-E34 IonicContact NZ-OE2 3.59Å; K31-E34 PolarHBondContact NZ-OE2 3.14Å; K31-E34 PolarHBondContact O-N 3.42Å; K31-L35 WeakPolarHBondContact O-CB 3.45Å; K31-L35 VanDerWaalsContact O-CG 3.25Å; K31-L35 WeakPolarHBondContact O-CG 3.46Å; K31-L35 PolarHBondContact O-N 3.23Å
32A97.9Very high97.3Very high1 Ų173.8 Ų73.81%0.00837%0.371CS..Hα-helixtrans-60.6-46.5169.900000110.3L28 M29 L35 S36 I43 Y57L28-A32 PolarHBondContact O-N 3.02Å; M29-A32 PolarHBondContact O-N 3.41Å; A32-L35 PolarHBondContact O-N 3.33Å; A32-S36 PolarHBondContact O-N 3.42Å; A32-S36 PolarHBondContact O-OG 3.27Å; A32-I43 HydrophobicContact CB-CG2 4.23Å; A32-I43 WeakPolarHBondContact O-CD1 3.35Å; A32-Y57 HydrophobicContact CB-CD1 3.69Å; A32-Y57 HydrophobicContact CB-CE1 3.46Å; A32-Y57 VanDerWaalsContact CB-CE1 3.46Å
33Y97.3Very high97.3Very high93 Ų9370.9 Ų70.937%0.36535%0.353SS..Hα-helixtrans-60.4-47.2173.6177.4-96000113.6M29 K31 L35 S36 I37 Y57 L197M29-Y33 PolarHBondContact O-N 3.27Å; K31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-L35 VanDerWaalsContact C-N 3.26Å; Y33-L35 PolarHBondContact O-N 3.1Å; Y33-S36 PolarHBondContact O-N 3.17Å; Y33-S36 PolarHBondContact O-OG 3.41Å; Y33-S36 VanDerWaalsContact O-OG 3.14Å; Y33-I37 HydrophobicContact CD2-CG1 4.26Å; Y33-I37 HydrophobicContact CE1-CG1 4.31Å; Y33-I37 HydrophobicContact CE2-CD1 4.26Å; Y33-I37 HydrophobicContact CE2-CG1 3.9Å; Y33-I37 WeakPolarHBondContact O-CG1 3.11Å; Y33-I37 PolarHBondContact O-N 3.09Å; Y33-I37 VanDerWaalsContact O-N 3.17Å; Y33-Y57 VanDerWaalsContact CA-OH 3.26Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.37Å; Y33-Y57 WeakPolarHBondContact CB-OH 3.42Å; Y33-L197 HydrophobicContact CD2-CD2 4.48Å; Y33-L197 HydrophobicContact CE2-CD2 4.42Å
34E98Very high97.3Very high62 Ų6264.8 Ų64.829%0.2933%0.33SS..Hα-helixtrans-55.8-41.8174.2-76.6168.4178.300111.2K30 K31 L38K30-E34 WeakPolarHBondContact CE-OE1 3.44Å; K30-E34 HydrophobicContact CG-CG 4.36Å; K30-E34 IonicContact NZ-OE1 3.88Å; K30-E34 WeakPolarHBondContact O-CB 3.33Å; K30-E34 VanDerWaalsContact O-CG 3.26Å; K30-E34 WeakPolarHBondContact O-CG 3.43Å; K30-E34 PolarHBondContact O-N 3.22Å; K31-E34 IonicContact NZ-OE2 3.59Å; K31-E34 PolarHBondContact NZ-OE2 3.14Å; K31-E34 PolarHBondContact O-N 3.42Å; E34-L38 WeakPolarHBondContact O-CB 3.22Å; E34-L38 WeakPolarHBondContact O-CD1 3.37Å; E34-L38 WeakPolarHBondContact O-CG 3.44Å; E34-L38 PolarHBondContact O-N 3.24Å; E34-L38 VanDerWaalsContact O-N 3.1Å
35L98Very high97.3Very high71 Ų7158.3 Ų58.337%0.37231%0.305SS..Hα-helixtrans-73.1-42.9-179.9-72.4168.9000113.4K31 A32 Y33 I37 L38 C39 I43K31-L35 WeakPolarHBondContact O-CB 3.45Å; K31-L35 VanDerWaalsContact O-CG 3.25Å; K31-L35 WeakPolarHBondContact O-CG 3.46Å; K31-L35 PolarHBondContact O-N 3.23Å; A32-L35 PolarHBondContact O-N 3.33Å; Y33-L35 VanDerWaalsContact C-N 3.26Å; Y33-L35 PolarHBondContact O-N 3.1Å; L35-I37 VanDerWaalsContact C-N 3.31Å; L35-I37 PolarHBondContact O-N 2.88Å; L35-L38 PolarHBondContact O-N 3.26Å; L35-C39 WeakPolarHBondContact O-CB 2.85Å; L35-C39 PolarHBondContact O-N 2.88Å; L35-C39 VanDerWaalsContact O-N 3.11Å; L35-I43 HydrophobicContact CB-CD1 3.88Å
36S97.2Very high97.3Very high9 Ų959.9 Ų59.96%0.06331%0.314CS..Hα-helixtrans-62.7-40179.553.50000111.7A32 Y33 D40 C41A32-S36 PolarHBondContact O-N 3.42Å; A32-S36 PolarHBondContact O-OG 3.27Å; Y33-S36 PolarHBondContact O-N 3.17Å; Y33-S36 PolarHBondContact O-OG 3.41Å; Y33-S36 VanDerWaalsContact O-OG 3.14Å; S36-D40 WeakPolarHBondContact O-CA 3.25Å; S36-D40 PolarHBondContact O-N 2.81Å; S36-D40 VanDerWaalsContact O-N 3.09Å; S36-C41 WeakPolarHBondContact CA-O 3.26Å; S36-C41 WeakPolarHBondContact CB-O 3.33Å; S36-C41 PolarHBondContact O-N 3.36Å
37I97.1Very high97.3Very high117 Ų11756.2 Ų56.260%0.630%0.296SS*.Hα-helixtrans-75.5-36.9178.9-59.5-61.2000112.5Y33 L35Y33-I37 HydrophobicContact CD2-CG1 4.26Å; Y33-I37 HydrophobicContact CE1-CG1 4.31Å; Y33-I37 HydrophobicContact CE2-CD1 4.26Å; Y33-I37 HydrophobicContact CE2-CG1 3.9Å; Y33-I37 WeakPolarHBondContact O-CG1 3.11Å; Y33-I37 PolarHBondContact O-N 3.09Å; Y33-I37 VanDerWaalsContact O-N 3.17Å; L35-I37 VanDerWaalsContact C-N 3.31Å; L35-I37 PolarHBondContact O-N 2.88Å
38L98.2Very high97.2Very high143 Ų14358.7 Ų58.775%0.74930%0.295SS*.Hα-helixtrans-77.6-20.5-178.1-73.1171.7000114.2E34 L35E34-L38 WeakPolarHBondContact O-CB 3.22Å; E34-L38 WeakPolarHBondContact O-CD1 3.37Å; E34-L38 WeakPolarHBondContact O-CG 3.44Å; E34-L38 PolarHBondContact O-N 3.24Å; E34-L38 VanDerWaalsContact O-N 3.1Å; L35-L38 PolarHBondContact O-N 3.26Å
39C97.5Very high97Very high75 Ų7556.5 Ų56.551%0.50728%0.284SS..Hα-helixtrans-123.20.7-174.2-61.10000114.5L35 C41L35-C39 WeakPolarHBondContact O-CB 2.85Å; L35-C39 PolarHBondContact O-N 2.88Å; L35-C39 VanDerWaalsContact O-N 3.11Å; C39-C41 VanDerWaalsContact C-N 3.29Å; C39-C41 HydrophobicContact CB-CB 4.48Å; C39-C41 PolarHBondContact O-N 3.33Å
40D96.9Very high96.7Very high132 Ų13259.9 Ų59.971%0.70631%0.308SS*.THydrogen-bonded Turntrans49.946.8-171.5-159.327.3000113S36S36-D40 WeakPolarHBondContact O-CA 3.25Å; S36-D40 PolarHBondContact O-N 2.81Å; S36-D40 VanDerWaalsContact O-N 3.09Å
41C94.9Very high96.4Very high12 Ų1258 Ų588%0.08131%0.311CS..EExtended strand (participates in β ladder)trans-106.8133.7-177.3-70.50000111.6S36 C39 I43 L634 S635S36-C41 WeakPolarHBondContact CA-O 3.26Å; S36-C41 WeakPolarHBondContact CB-O 3.33Å; S36-C41 PolarHBondContact O-N 3.36Å; C39-C41 VanDerWaalsContact C-N 3.29Å; C39-C41 HydrophobicContact CB-CB 4.48Å; C39-C41 PolarHBondContact O-N 3.33Å; C41-I43 HydrophobicContact CB-CG1 4.43Å; C41-L634 HydrophobicContact CB-CD2 3.7Å; C41-S635 WeakPolarHBondContact CA-O 3.4Å
42E96.2Very high96.1Very high28 Ų2859.4 Ų59.413%0.13132%0.319CS..EExtended strand (participates in β ladder)trans-74.5129.5165.1-74.1-177.7-152.700110.1S59 K64 I65 R68 S635E42-S59 WeakPolarHBondContact CA-OG 3.21Å; E42-K64 IonicContact OE1-NZ 2.76Å; E42-K64 PolarHBondContact OE1-NZ 3.49Å; E42-K64 IonicContact OE2-NZ 3.7Å; E42-I65 HydrophobicContact CB-CD1 4.27Å; E42-I65 HydrophobicContact CB-CG1 4.36Å; E42-R68 IonicContact OE1-CZ 2.72Å; E42-R68 IonicContact OE1-NH1 3.57Å; E42-R68 IonicContact OE1-NH2 2.7Å; E42-R68 PolarHBondContact OE1-NH2 3.17Å; E42-R68 IonicContact OE2-CZ 3.51Å; E42-R68 IonicContact OE2-NE 3.28Å; E42-R68 IonicContact OE2-NH1 3.33Å; E42-R68 PolarHBondContact OE2-NH1 3.34Å; E42-R68 IonicContact OE2-NH2 2.68Å; E42-R68 PolarHBondContact OE2-NH2 3.38Å; E42-S635 PolarHBondContact N-O 3.19Å; E42-S635 PolarHBondContact O-N 2.58Å
43I96.5Very high96Very high0 Ų063.3 Ų63.30%034%0.336CS..  trans-134.4127.1-177.9-58.3174.4000109.5A32 L35 C41 A58 S59 I65 L632 L634A32-I43 HydrophobicContact CB-CG2 4.23Å; A32-I43 WeakPolarHBondContact O-CD1 3.35Å; L35-I43 HydrophobicContact CB-CD1 3.88Å; C41-I43 HydrophobicContact CB-CG1 4.43Å; I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.47Å; I43-S59 PolarHBondContact N-OG 2.95Å; I43-S59 PolarHBondContact O-N 2.87Å; I43-S59 PolarHBondContact O-OG 3.23Å; I43-I65 WeakPolarHBondContact O-CD1 3.33Å; I43-L632 HydrophobicContact CG2-CD1 4.43Å; I43-L632 HydrophobicContact CG2-CG 4.3Å; I43-L634 HydrophobicContact CD1-CD2 3.53Å; I43-L634 HydrophobicContact CG1-CD2 3.67Å
44A97.1Very high95.9Very high18 Ų1861 Ų6115%0.14933%0.33CS..EExtended strand (participates in β ladder)trans-107.1144.7161.900000110.2M62 I65A44-M62 HydrophobicContact CB-SD 3.8Å; A44-I65 HydrophobicContact CB-CB 4.19Å; A44-I65 HydrophobicContact CB-CD1 4.35Å; A44-I65 HydrophobicContact CB-CG2 3.68Å
45L97Very high95.8Very high1 Ų158.7 Ų58.71%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-140.6117.8177.6172.364.6000109.1L28 M29 V47 Q56 Y57 L630L28-L45 HydrophobicContact CD2-CD1 4.06Å; L28-L45 HydrophobicContact CD2-CD2 3.92Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; M29-L45 HydrophobicContact CG-CD2 4.16Å; L45-V47 HydrophobicContact CD1-CG2 4.11Å; L45-V47 HydrophobicContact CD2-CG2 4.48Å; L45-V47 HydrophobicContact CG-CG2 4.04Å; L45-Q56 CarbonylContact O-C 3.42Å; L45-Q56 WeakPolarHBondContact O-CA 3.43Å; L45-Y57 HydrophobicContact CB-CD1 4.27Å; L45-Y57 PolarHBondContact N-O 2.93Å; L45-Y57 PolarHBondContact O-N 3.35Å; L45-L630 HydrophobicContact CD1-CD2 4.23Å
46I97.1Very high95.8Very high63 Ų6357.9 Ų57.932%0.32331%0.313SS..EExtended strand (participates in β ladder)trans-115.5129.2178.9-68173000108F48 L54 L66 L630I46-F48 HydrophobicContact CG2-CD2 4.06Å; I46-F48 HydrophobicContact CG2-CE2 3.52Å; I46-F48 HydrophobicContact CG2-CZ 4.09Å; I46-L54 HydrophobicContact CG2-CD1 3.79Å; I46-L66 HydrophobicContact CD1-CD2 4.24Å; I46-L630 WeakPolarHBondContact O-CD2 3.4Å
47V96.8Very high95.8Very high10 Ų1058.4 Ų58.46%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-131.2107.6-176.1-172.70000109.3F21 L45 F55 L630F21-V47 HydrophobicContact CE2-CG1 3.8Å; F21-V47 HydrophobicContact CZ-CG1 4.08Å; L45-V47 HydrophobicContact CD1-CG2 4.11Å; L45-V47 HydrophobicContact CD2-CG2 4.48Å; L45-V47 HydrophobicContact CG-CG2 4.04Å; V47-F55 WeakPolarHBondContact CA-O 3.3Å; V47-F55 HydrophobicContact CB-CB 4.32Å; V47-F55 WeakPolarHBondContact CB-O 3.43Å; V47-F55 PolarHBondContact N-O 3.27Å; V47-F55 PolarHBondContact O-N 2.72Å; V47-L630 HydrophobicContact CB-CD2 4.15Å; V47-L630 HydrophobicContact CG1-CD2 4.18Å; V47-L630 HydrophobicContact CG2-CD2 3.75Å
48F96.3Very high95.8Very high93 Ų9354 Ų5441%0.40830%0.295SS..  trans-85163.6167.1-67-78.2000111.3I46 L54 P628I46-F48 HydrophobicContact CG2-CD2 4.06Å; I46-F48 HydrophobicContact CG2-CE2 3.52Å; I46-F48 HydrophobicContact CG2-CZ 4.09Å; F48-L54 HydrophobicContact CD1-CB 4.4Å; F48-L54 HydrophobicContact CD1-CD1 4.41Å; F48-L54 HydrophobicContact CE1-CB 4.1Å; F48-L54 HydrophobicContact CE1-CD1 3.92Å; F48-L54 HydrophobicContact CZ-CD1 4Å; F48-P628 HydrophobicContact CB-CB 4.43Å; F48-P628 WeakPolarHBondContact O-CB 3.49Å; F48-P628 WeakPolarHBondContact O-CG 3.24Å
49T93.5Very high95.7Very high14 Ų1449.3 Ų49.39%0.08627%0.274CS..  trans-118.7166.9172.858.60000111.4F21 S51 Q52 K53 F55F21-T49 HydrophobicContact CD1-CG2 4.45Å; F21-T49 HydrophobicContact CE1-CG2 3.68Å; F21-T49 HydrophobicContact CE2-CG2 3.88Å; F21-T49 HydrophobicContact CZ-CG2 3.34Å; T49-S51 PolarHBondContact O-N 3.23Å; T49-S51 PolarHBondContact OG1-N 3.15Å; T49-S51 PolarHBondContact OG1-OG 3.47Å; T49-Q52 WeakPolarHBondContact O-CA 3.35Å; T49-Q52 PolarHBondContact O-N 3.35Å; T49-Q52 PolarHBondContact O-OE1 3.41Å; T49-K53 PolarHBondContact N-O 2.79Å; T49-K53 PolarHBondContact OG1-N 3.13Å; T49-K53 PolarHBondContact OG1-O 3.01Å; T49-F55 HydrophobicContact CG2-CD2 4.03Å; T49-F55 HydrophobicContact CG2-CE2 3.64Å
50S90.8Very high95.5Very high73 Ų7347.8 Ų47.851%0.5126%0.264SS..THydrogen-bonded Turntrans-63.3-3.3169.854.90000114.5
51S91.6Very high95.4Very high85 Ų8546.9 Ų46.959%0.59426%0.259SS*.THydrogen-bonded Turntrans-109.315.3171.257.70000112.7T49 K53T49-S51 PolarHBondContact O-N 3.23Å; T49-S51 PolarHBondContact OG1-N 3.15Å; T49-S51 PolarHBondContact OG1-OG 3.47Å; S51-K53 PolarHBondContact O-N 3.46Å; S51-K53 VanDerWaalsContact O-N 3.07Å
52Q92.2Very high95.5Very high148 Ų14847 Ų4769%0.69226%0.259SS*.  trans52.124.2-177-52.5-65.134.900115.5T49T49-Q52 WeakPolarHBondContact O-CA 3.35Å; T49-Q52 PolarHBondContact O-N 3.35Å; T49-Q52 PolarHBondContact O-OE1 3.41Å
53K95Very high95.5Very high83 Ų8351.7 Ų51.736%0.36128%0.284SS..  trans-76.7127167-73-154.6176.1-160.10109.7T49 S51 F55 D203T49-K53 PolarHBondContact N-O 2.79Å; T49-K53 PolarHBondContact OG1-N 3.13Å; T49-K53 PolarHBondContact OG1-O 3.01Å; S51-K53 PolarHBondContact O-N 3.46Å; S51-K53 VanDerWaalsContact O-N 3.07Å; K53-F55 HydrophobicContact CB-CE2 3.86Å; K53-F55 HydrophobicContact CB-CZ 4.38Å; K53-D203 IonicContact NZ-OD1 2.79Å; K53-D203 PolarHBondContact NZ-OD1 2.82Å
54L95.9Very high95.4Very high45 Ų4556.1 Ų56.124%0.23630%0.304CS..  trans-78.9134.4171.8173.460.7000110.4I46 F48I46-L54 HydrophobicContact CG2-CD1 3.79Å; F48-L54 HydrophobicContact CD1-CB 4.4Å; F48-L54 HydrophobicContact CD1-CD1 4.41Å; F48-L54 HydrophobicContact CE1-CB 4.1Å; F48-L54 HydrophobicContact CE1-CD1 3.92Å; F48-L54 HydrophobicContact CZ-CD1 4Å
55F96.3Very high95.3Very high13 Ų1356.1 Ų56.16%0.05730%0.301CS..EExtended strand (participates in β ladder)trans-130.5130.8162.9-59.9-91.6000109.1F21 K25 M29 V47 T49 K53 E201F21-F55 HydrophobicContact CE1-CD2 4.02Å; F21-F55 AromaticContact CE1-CE2 3.68Å; F21-F55 HydrophobicContact CE1-CE2 3.68Å; F21-F55 HydrophobicContact CE1-CZ 4.12Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.86Å; F21-F55 HydrophobicContact CZ-CE2 3.86Å; K25-F55 HydrophobicContact CD-CB 3.78Å; K25-F55 HydrophobicContact CD-CD1 3.84Å; K25-F55 HydrophobicContact CD-CD2 4.24Å; K25-F55 HydrophobicContact CD-CE1 4.45Å; K25-F55 HydrophobicContact CD-CG 3.69Å; K25-F55 VanDerWaalsContact CE-CD1 3.49Å; K25-F55 VanDerWaalsContact NZ-CD1 3.32Å; M29-F55 HydrophobicContact CE-CB 4.33Å; V47-F55 WeakPolarHBondContact CA-O 3.3Å; V47-F55 HydrophobicContact CB-CB 4.32Å; V47-F55 WeakPolarHBondContact CB-O 3.43Å; V47-F55 PolarHBondContact N-O 3.27Å; V47-F55 PolarHBondContact O-N 2.72Å; T49-F55 HydrophobicContact CG2-CD2 4.03Å; T49-F55 HydrophobicContact CG2-CE2 3.64Å; K53-F55 HydrophobicContact CB-CE2 3.86Å; K53-F55 HydrophobicContact CB-CZ 4.38Å; F55-E201 HydrophobicContact CE1-CG 3.98Å; F55-E201 WeakPolarHBondContact CE1-OE1 3.25Å
56Q96.6Very high95.3Very high54 Ų5459.2 Ų59.225%0.25232%0.317SS..EExtended strand (participates in β ladder)trans-128157.9-17577.6-170.640.300112.8M29 L45 M62M29-Q56 WeakPolarHBondContact CE-O 3.47Å; L45-Q56 CarbonylContact O-C 3.42Å; L45-Q56 WeakPolarHBondContact O-CA 3.43Å; Q56-M62 HydrophobicContact CB-CE 3.69Å; Q56-M62 HydrophobicContact CG-CE 3.92Å
57Y97.6Very high95.2Very high20 Ų2061.1 Ų61.18%0.07833%0.328CS..EExtended strand (participates in β ladder)trans-146.8139.2169.9165.7-88.4000108.7M29 A32 Y33 L45 M62M29-Y57 HydrophobicContact CG-CG 4.44Å; A32-Y57 HydrophobicContact CB-CD1 3.69Å; A32-Y57 HydrophobicContact CB-CE1 3.46Å; A32-Y57 VanDerWaalsContact CB-CE1 3.46Å; Y33-Y57 VanDerWaalsContact CA-OH 3.26Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.37Å; Y33-Y57 WeakPolarHBondContact CB-OH 3.42Å; L45-Y57 HydrophobicContact CB-CD1 4.27Å; L45-Y57 PolarHBondContact N-O 2.93Å; L45-Y57 PolarHBondContact O-N 3.35Å; Y57-M62 WeakPolarHBondContact O-CE 3.42Å
58A97.4Very high95Very high25 Ų2563 Ų6321%0.20733%0.334CS..EExtended strand (participates in β ladder)trans-136152166.900000109.5I43 S60 M62 I65I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.47Å; A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 WeakPolarHBondContact CB-O 3.32Å; A58-M62 HydrophobicContact CB-CB 4.3Å; A58-M62 HydrophobicContact CB-CE 3.82Å; A58-M62 HydrophobicContact CB-SD 4.19Å; A58-I65 HydrophobicContact CB-CD1 3.99Å
59S96.4Very high94.8Very high44 Ų4462.4 Ų62.431%0.30833%0.329SS..SBendtrans-75.2-21.8173.257.20000113.3E42 I43E42-S59 WeakPolarHBondContact CA-OG 3.21Å; I43-S59 PolarHBondContact N-OG 2.95Å; I43-S59 PolarHBondContact O-N 2.87Å; I43-S59 PolarHBondContact O-OG 3.23Å
60S93.8Very high94.8Very high43 Ų4365.2 Ų65.230%0.30135%0.347SS..SBendtrans-137.1-153.9172.8610000108.6A58 M62A58-S60 VanDerWaalsContact C-N 3.31Å; A58-S60 WeakPolarHBondContact CB-O 3.32Å; S60-M62 PolarHBondContact O-N 2.83Å
61D94.6Very high94.9Very high113 Ų11368 Ų6860%0.60435%0.352SS*.  trans-62.9132.6174.1-43.1-72.6000111.1K64 I65D61-K64 HydrophobicContact CB-CB 4.03Å; D61-I65 PolarHBondContact O-N 3.45Å
62M96.4Very high94.7Very high15 Ų1570.2 Ų70.27%0.07435%0.351CS..Hα-helixtrans-62.3-48.8-178.3-178.365.671.700111.3A44 Q56 Y57 A58 S60 K64 I65 L66A44-M62 HydrophobicContact CB-SD 3.8Å; Q56-M62 HydrophobicContact CB-CE 3.69Å; Q56-M62 HydrophobicContact CG-CE 3.92Å; Y57-M62 WeakPolarHBondContact O-CE 3.42Å; A58-M62 HydrophobicContact CB-CB 4.3Å; A58-M62 HydrophobicContact CB-CE 3.82Å; A58-M62 HydrophobicContact CB-SD 4.19Å; S60-M62 PolarHBondContact O-N 2.83Å; M62-K64 PolarHBondContact O-N 3.45Å; M62-I65 PolarHBondContact O-N 3.47Å; M62-L66 HydrophobicContact CG-CD1 3.74Å; M62-L66 HydrophobicContact CG-CG 4.21Å; M62-L66 WeakPolarHBondContact O-CG 3.42Å; M62-L66 PolarHBondContact O-N 2.97Å; M62-L66 HydrophobicContact SD-CD1 4.19Å; M62-L66 HydrophobicContact SD-CG 4.22Å
63D95.8Very high94.1Very high125 Ų12570.6 Ų70.667%0.66836%0.358SS*.Hα-helixtrans-64-31.5-173.9-46.5-52.9000111.7L67D63-L67 WeakPolarHBondContact O-CB 3.43Å; D63-L67 PolarHBondContact O-N 3.31Å
64K95.1Very high93.6Very high94 Ų9474.5 Ų74.541%0.40938%0.377SS..Hα-helixtrans-64.2-43.5173.2-175.5-155.8178-154.50111.9E42 D61 M62 R68E42-K64 IonicContact OE1-NZ 2.76Å; E42-K64 PolarHBondContact OE1-NZ 3.49Å; E42-K64 IonicContact OE2-NZ 3.7Å; D61-K64 HydrophobicContact CB-CB 4.03Å; M62-K64 PolarHBondContact O-N 3.45Å; K64-R68 WeakPolarHBondContact O-CB 3.43Å; K64-R68 PolarHBondContact O-N 3.24Å
65I95.9Very high93.3Very high17 Ų1775.3 Ų75.39%0.08739%0.385CS..Hα-helixtrans-72.2-39179.4-56.6175.6000110.2E42 I43 A44 A58 D61 M62 R68 Y69E42-I65 HydrophobicContact CB-CD1 4.27Å; E42-I65 HydrophobicContact CB-CG1 4.36Å; I43-I65 WeakPolarHBondContact O-CD1 3.33Å; A44-I65 HydrophobicContact CB-CB 4.19Å; A44-I65 HydrophobicContact CB-CD1 4.35Å; A44-I65 HydrophobicContact CB-CG2 3.68Å; A58-I65 HydrophobicContact CB-CD1 3.99Å; D61-I65 PolarHBondContact O-N 3.45Å; M62-I65 PolarHBondContact O-N 3.47Å; I65-R68 PolarHBondContact O-N 2.88Å; I65-Y69 WeakPolarHBondContact O-CB 3.4Å; I65-Y69 PolarHBondContact O-N 3.39Å
66L95.8Very high92.8Very high67 Ų6784 Ų8435%0.35143%0.425SS..Hα-helixtrans-67.8-39.7176.1-66.1176.9000112.2I46 M62 Y69 T70I46-L66 HydrophobicContact CD1-CD2 4.24Å; M62-L66 HydrophobicContact CG-CD1 3.74Å; M62-L66 HydrophobicContact CG-CG 4.21Å; M62-L66 WeakPolarHBondContact O-CG 3.42Å; M62-L66 PolarHBondContact O-N 2.97Å; M62-L66 HydrophobicContact SD-CD1 4.19Å; M62-L66 HydrophobicContact SD-CG 4.22Å; L66-Y69 WeakPolarHBondContact O-CB 3.33Å; L66-Y69 PolarHBondContact O-N 3.3Å; L66-T70 PolarHBondContact O-N 3Å
67L94.6Very high92.6Very high103 Ų10387.1 Ų87.154%0.53944%0.44SS..Hα-helixtrans-60.3-51.2172.6179.761.7000110.6D63 Y69 T70 E71D63-L67 WeakPolarHBondContact O-CB 3.43Å; D63-L67 PolarHBondContact O-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.46Å; L67-T70 PolarHBondContact O-N 2.87Å; L67-T70 PolarHBondContact O-OG1 2.84Å; L67-E71 WeakPolarHBondContact O-CG 3.35Å; L67-E71 PolarHBondContact O-N 2.82Å; L67-E71 VanDerWaalsContact O-N 3.12Å
68R93.4Very high92.4Very high50 Ų5089 Ų8919%0.18946%0.456CS..Hα-helixtrans-54.3-41.9173.5-178.6-173.6-6617413.2111.6E42 K64 I65 T70 E71 F72 S635E42-R68 IonicContact OE1-CZ 2.72Å; E42-R68 IonicContact OE1-NH1 3.57Å; E42-R68 IonicContact OE1-NH2 2.7Å; E42-R68 PolarHBondContact OE1-NH2 3.17Å; E42-R68 IonicContact OE2-CZ 3.51Å; E42-R68 IonicContact OE2-NE 3.28Å; E42-R68 IonicContact OE2-NH1 3.33Å; E42-R68 PolarHBondContact OE2-NH1 3.34Å; E42-R68 IonicContact OE2-NH2 2.68Å; E42-R68 PolarHBondContact OE2-NH2 3.38Å; K64-R68 WeakPolarHBondContact O-CB 3.43Å; K64-R68 PolarHBondContact O-N 3.24Å; I65-R68 PolarHBondContact O-N 2.88Å; R68-T70 VanDerWaalsContact C-N 3.31Å; R68-T70 PolarHBondContact O-N 3.39Å; R68-E71 WeakPolarHBondContact O-CB 3.35Å; R68-E71 PolarHBondContact O-N 3.22Å; R68-E71 VanDerWaalsContact O-N 3.14Å; R68-F72 HydrophobicContact CG-CD2 4.17Å; R68-F72 HydrophobicContact CG-CE2 3.71Å; R68-F72 VanDerWaalsContact O-CD2 3.25Å; R68-F72 WeakPolarHBondContact O-CD2 3.46Å; R68-F72 PolarHBondContact O-N 3.05Å; R68-S635 PolarHBondContact NH1-OG 3.07Å; R68-S635 VanDerWaalsContact NH1-OG 3.13Å
69Y93.1Very high92.2Very high79 Ų7991.2 Ų91.231%0.3146%0.461SS..Hα-helixtrans-60.8-39.8177-177.7-98.1000111.9I65 L66 L67 E71 F72 L218 F633I65-Y69 WeakPolarHBondContact O-CB 3.4Å; I65-Y69 PolarHBondContact O-N 3.39Å; L66-Y69 WeakPolarHBondContact O-CB 3.33Å; L66-Y69 PolarHBondContact O-N 3.3Å; L67-Y69 PolarHBondContact O-N 3.46Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 3.32Å; Y69-F72 PolarHBondContact O-N 2.93Å; Y69-L218 HydrophobicContact CE1-CD1 4.41Å; Y69-F633 HydrophobicContact CD2-CD2 4.12Å; Y69-F633 HydrophobicContact CD2-CE2 4.22Å; Y69-F633 AromaticContact CE2-CD2 3.71Å; Y69-F633 HydrophobicContact CE2-CD2 3.71Å; Y69-F633 HydrophobicContact CE2-CE1 4.42Å; Y69-F633 AromaticContact CE2-CE2 3.36Å; Y69-F633 HydrophobicContact CE2-CE2 3.36Å; Y69-F633 HydrophobicContact CE2-CG 4.37Å; Y69-F633 AromaticContact CE2-CZ 3.76Å; Y69-F633 HydrophobicContact CE2-CZ 3.76Å; Y69-F633 AromaticContact CZ-CE2 3.9Å
70T91.8Very high92.2Very high74 Ų7491.3 Ų91.345%0.45446%0.46SS..Hα-helixtrans-74.1-12.4175.459.30000115.3L66 L67 R68L66-T70 PolarHBondContact O-N 3Å; L67-T70 PolarHBondContact O-N 2.87Å; L67-T70 PolarHBondContact O-OG1 2.84Å; R68-T70 VanDerWaalsContact C-N 3.31Å; R68-T70 PolarHBondContact O-N 3.39Å
71E93.1Very high92.2Very high131 Ų13193.6 Ų93.661%0.61247%0.469SS*.Hα-helixtrans-81.9-20.1172.5-67.4167.6170.100112.3L67 R68 Y69L67-E71 WeakPolarHBondContact O-CG 3.35Å; L67-E71 PolarHBondContact O-N 2.82Å; L67-E71 VanDerWaalsContact O-N 3.12Å; R68-E71 WeakPolarHBondContact O-CB 3.35Å; R68-E71 PolarHBondContact O-N 3.22Å; R68-E71 VanDerWaalsContact O-N 3.14Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 3.32Å
72F87.9Confident92.2Very high132 Ų13293.7 Ų93.758%0.57946%0.461SS*.  trans-91.4123.7173.9-73.2-72.5000111.3R68 Y69R68-F72 HydrophobicContact CG-CD2 4.17Å; R68-F72 HydrophobicContact CG-CE2 3.71Å; R68-F72 VanDerWaalsContact O-CD2 3.25Å; R68-F72 WeakPolarHBondContact O-CD2 3.46Å; R68-F72 PolarHBondContact O-N 3.05Å; Y69-F72 PolarHBondContact O-N 2.93Å
73N79.8Confident92.1Very high156 Ų15695.6 Ų95.683%0.83447%0.471SS*.SBendtrans-72-31.7176.8-63.7-41.9000113
74E84.5Confident92Very high165 Ų16593.2 Ų93.277%0.77146%0.458SS*.SBendtrans-139.5138.5-177.4-66.5-177.7173.800110.7
75P88.6Confident91.8Very high61 Ų6191 Ų9140%0.39646%0.456SS..  trans-78.7128.7174.130.6-32.8000111.6E77 F633P75-E77 PolarHBondContact O-N 3.46Å; P75-E77 VanDerWaalsContact O-N 3.13Å; P75-F633 HydrophobicContact CB-CE1 3.64Å; P75-F633 HydrophobicContact CB-CZ 4.16Å
76H87.6Confident91.7Very high195 Ų19595.1 Ų95.190%0.90348%0.475SS*.SBendtrans-51.2-37.2174.6171.3-79000113.3
77E92.1Very high91.4Very high120 Ų12096 Ų9656%0.56148%0.48SS*.SBendtrans-142119.4168.7-178.5166.8-146.800109.9P75 K79 F633P75-E77 PolarHBondContact O-N 3.46Å; P75-E77 VanDerWaalsContact O-N 3.13Å; E77-K79 HydrophobicContact CG-CG 4.38Å; E77-K79 VanDerWaalsContact CG-NZ 3.27Å; E77-K79 WeakPolarHBondContact OE1-CE 3.34Å; E77-K79 IonicContact OE1-NZ 3.67Å; E77-K79 PolarHBondContact OE1-NZ 3.25Å; E77-F633 WeakPolarHBondContact O-CE1 3.5Å
78S92.4Very high91.2Very high59 Ų5995.3 Ų95.341%0.41348%0.476SS..  trans-98.6152.7164.9-169.60000110.9
79K93.3Very high90.9Very high72 Ų7298 Ų9831%0.31349%0.494SS..  trans-149.6120.2174.4-71.4-65.2166.6-76.70110.9E77 D83 L87 L631E77-K79 HydrophobicContact CG-CG 4.38Å; E77-K79 VanDerWaalsContact CG-NZ 3.27Å; E77-K79 WeakPolarHBondContact OE1-CE 3.34Å; E77-K79 IonicContact OE1-NZ 3.67Å; E77-K79 PolarHBondContact OE1-NZ 3.25Å; K79-D83 HydrophobicContact CD-CB 3.59Å; K79-L87 HydrophobicContact CD-CD1 4.35Å; K79-L631 WeakPolarHBondContact O-CD2 3.27Å
80T96.1Very high90.5Very high47 Ų47100.2 Ų100.229%0.28850%0.502SS..  trans-90.8173.3172.466.60000111.4R82 D83 I84T80-R82 PolarHBondContact O-N 3.23Å; T80-R82 WeakPolarHBondContact OG1-CB 3.26Å; T80-R82 PolarHBondContact OG1-N 3.39Å; T80-D83 WeakPolarHBondContact CB-OD2 3.45Å; T80-D83 PolarHBondContact N-OD2 3.02Å; T80-D83 PolarHBondContact O-N 2.86Å; T80-D83 PolarHBondContact OG1-N 3.32Å; T80-D83 PolarHBondContact OG1-OD2 2.89Å; T80-I84 WeakPolarHBondContact O-CG1 3.48Å; T80-I84 PolarHBondContact O-N 3.46Å
81N95.2Very high89.7Confident91 Ų91104.5 Ų104.549%0.48751%0.514SS..Hα-helixtrans-58.2-29.3167.8-85.1-52.7000113.1A85 E629N81-A85 WeakPolarHBondContact O-CB 3.46Å; N81-A85 PolarHBondContact O-N 3.22Å; N81-E629 WeakPolarHBondContact CB-OE1 3.5Å; N81-E629 PolarHBondContact ND2-OE1 2.69Å
82R94.1Very high88.3Confident115 Ų115104.9 Ų104.943%0.43452%0.516SS..Hα-helixtrans-67.1-50.2178.2-64176.9169.3-166.40.8111.3T80 I84 A85 E86 D225T80-R82 PolarHBondContact O-N 3.23Å; T80-R82 WeakPolarHBondContact OG1-CB 3.26Å; T80-R82 PolarHBondContact OG1-N 3.39Å; R82-I84 VanDerWaalsContact C-N 3.26Å; R82-I84 PolarHBondContact O-N 3.45Å; R82-A85 PolarHBondContact O-N 3.09Å; R82-A85 VanDerWaalsContact O-N 3.16Å; R82-E86 PolarHBondContact O-N 3.24Å; R82-D225 IonicContact CZ-OD1 2.69Å; R82-D225 IonicContact CZ-OD2 2.71Å; R82-D225 IonicContact NE-OD2 3.59Å; R82-D225 IonicContact NH1-OD1 3.13Å; R82-D225 PolarHBondContact NH1-OD1 3.44Å; R82-D225 IonicContact NH1-OD2 2.76Å; R82-D225 PolarHBondContact NH1-OD2 3.27Å; R82-D225 PolarHBondContact NH2-O 2.82Å; R82-D225 IonicContact NH2-OD1 3Å; R82-D225 PolarHBondContact NH2-OD1 2.88Å; R82-D225 IonicContact NH2-OD2 3.85Å
83D94.4Very high86.6Confident55 Ų55101.2 Ų101.229%0.29452%0.515SS..Hα-helixtrans-54.5-44.4176.3-64.1-80.4000112K79 T80 E86 L87K79-D83 HydrophobicContact CD-CB 3.59Å; T80-D83 WeakPolarHBondContact CB-OD2 3.45Å; T80-D83 PolarHBondContact N-OD2 3.02Å; T80-D83 PolarHBondContact O-N 2.86Å; T80-D83 PolarHBondContact OG1-N 3.32Å; T80-D83 PolarHBondContact OG1-OD2 2.89Å; D83-E86 PolarHBondContact O-N 3.5Å; D83-L87 WeakPolarHBondContact O-CB 3.33Å; D83-L87 VanDerWaalsContact O-CG 3.26Å; D83-L87 WeakPolarHBondContact O-CG 3.45Å; D83-L87 PolarHBondContact O-N 2.78Å
84I93.4Very high85.3Confident75 Ų75101.8 Ų101.839%0.38551%0.51SS..Hα-helixtrans-67.8-40.4-178-64.8167.7000110.5T80 R82 L87 I88T80-I84 WeakPolarHBondContact O-CG1 3.48Å; T80-I84 PolarHBondContact O-N 3.46Å; R82-I84 VanDerWaalsContact C-N 3.26Å; R82-I84 PolarHBondContact O-N 3.45Å; I84-L87 PolarHBondContact O-N 3.22Å; I84-I88 HydrophobicContact CG2-CD1 4.15Å; I84-I88 WeakPolarHBondContact O-CD1 3.17Å; I84-I88 VanDerWaalsContact O-CG1 3.3Å; I84-I88 WeakPolarHBondContact O-CG1 3.33Å; I84-I88 PolarHBondContact O-N 3.15Å; I84-I88 VanDerWaalsContact O-N 3.08Å
85A91.6Very high83.3Confident46 Ų46100.3 Ų100.338%0.3850%0.502SS..Hα-helixtrans-62.7-44.7174.400000111.8N81 R82 L87 I88 N89N81-A85 WeakPolarHBondContact O-CB 3.46Å; N81-A85 PolarHBondContact O-N 3.22Å; R82-A85 PolarHBondContact O-N 3.09Å; R82-A85 VanDerWaalsContact O-N 3.16Å; A85-L87 PolarHBondContact O-N 2.85Å; A85-I88 PolarHBondContact O-N 3.1Å; A85-N89 VanDerWaalsContact O-CG 3.23Å; A85-N89 PolarHBondContact O-N 3.13Å; A85-N89 PolarHBondContact O-ND2 3.39Å
86E92.4Very high80.7Confident105 Ų105101.2 Ų101.249%0.49151%0.509SS..Hα-helixtrans-63.4-39.9174.9-71.8-166.8178.500113.4R82 D83 I88 N89 R90R82-E86 PolarHBondContact O-N 3.24Å; D83-E86 PolarHBondContact O-N 3.5Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 2.94Å; E86-N89 PolarHBondContact O-N 2.86Å; E86-R90 VanDerWaalsContact O-CB 3.24Å; E86-R90 WeakPolarHBondContact O-CB 3.31Å; E86-R90 VanDerWaalsContact O-CG 3.27Å; E86-R90 WeakPolarHBondContact O-CG 3.41Å; E86-R90 PolarHBondContact O-N 2.98Å; E86-R90 PolarHBondContact O-NE 2.87Å; E86-R90 IonicContact OE2-CZ 3.44Å; E86-R90 IonicContact OE2-NE 3.28Å; E86-R90 IonicContact OE2-NH2 2.79Å; E86-R90 PolarHBondContact OE2-NH2 3.4Å
87L90Very high78.8Confident86 Ų86101.4 Ų101.445%0.4550%0.504SS..Hα-helixtrans-63.8-33.4177.3-77167.1000111.7K79 D83 I84 A85 K91K79-L87 HydrophobicContact CD-CD1 4.35Å; D83-L87 WeakPolarHBondContact O-CB 3.33Å; D83-L87 VanDerWaalsContact O-CG 3.26Å; D83-L87 WeakPolarHBondContact O-CG 3.45Å; D83-L87 PolarHBondContact O-N 2.78Å; I84-L87 PolarHBondContact O-N 3.22Å; A85-L87 PolarHBondContact O-N 2.85Å; L87-K91 WeakPolarHBondContact O-CB 3.36Å; L87-K91 PolarHBondContact O-N 3.26Å
88I89.8Confident76.9Confident87 Ų87103.3 Ų103.345%0.44652%0.517SS..Hα-helixtrans-68.9-52.1172.3-68.2163.7000110.1I84 A85 E86 R90 K91 E92I84-I88 HydrophobicContact CG2-CD1 4.15Å; I84-I88 WeakPolarHBondContact O-CD1 3.17Å; I84-I88 VanDerWaalsContact O-CG1 3.3Å; I84-I88 WeakPolarHBondContact O-CG1 3.33Å; I84-I88 PolarHBondContact O-N 3.15Å; I84-I88 VanDerWaalsContact O-N 3.08Å; A85-I88 PolarHBondContact O-N 3.1Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 2.94Å; I88-R90 PolarHBondContact O-N 3.16Å; I88-K91 WeakPolarHBondContact O-CA 3.38Å; I88-K91 WeakPolarHBondContact O-CB 3.41Å; I88-K91 PolarHBondContact O-N 3.28Å; I88-E92 PolarHBondContact O-N 2.78Å
89N87.6Confident74.4Confident108 Ų108104.7 Ų104.758%0.57853%0.526SS*.Hα-helixtrans-60.9-44.5-178-65.7-16.6000112A85 E86 K91 E92 G93A85-N89 VanDerWaalsContact O-CG 3.23Å; A85-N89 PolarHBondContact O-N 3.13Å; A85-N89 PolarHBondContact O-ND2 3.39Å; E86-N89 PolarHBondContact O-N 2.86Å; N89-K91 PolarHBondContact O-N 3.08Å; N89-E92 PolarHBondContact O-N 2.88Å; N89-G93 PolarHBondContact O-N 3.23Å; N89-G93 VanDerWaalsContact O-N 3.08Å
90R84.7Confident72.1Confident125 Ų125108.9 Ų108.947%0.47255%0.552SS.*Hα-helixtrans-61.7-21.6174.7-75.5-177.7-82.8-176.3-14113.4E86 I88 K94E86-R90 VanDerWaalsContact O-CB 3.24Å; E86-R90 WeakPolarHBondContact O-CB 3.31Å; E86-R90 VanDerWaalsContact O-CG 3.27Å; E86-R90 WeakPolarHBondContact O-CG 3.41Å; E86-R90 PolarHBondContact O-N 2.98Å; E86-R90 PolarHBondContact O-NE 2.87Å; E86-R90 IonicContact OE2-CZ 3.44Å; E86-R90 IonicContact OE2-NE 3.28Å; E86-R90 IonicContact OE2-NH2 2.79Å; E86-R90 PolarHBondContact OE2-NH2 3.4Å; I88-R90 PolarHBondContact O-N 3.16Å; R90-K94 WeakPolarHBondContact O-CB 3.48Å; R90-K94 WeakPolarHBondContact O-CG 3.36Å
91K75.8Confident69.5Low164 Ų164110.3 Ų110.371%0.71358%0.576SS**Hα-helixtrans-89.6-36.5178.8-172.4173.8-176.7173.40112.6L87 I88 N89L87-K91 WeakPolarHBondContact O-CB 3.36Å; L87-K91 PolarHBondContact O-N 3.26Å; I88-K91 WeakPolarHBondContact O-CA 3.38Å; I88-K91 WeakPolarHBondContact O-CB 3.41Å; I88-K91 PolarHBondContact O-N 3.28Å; N89-K91 PolarHBondContact O-N 3.08Å
92E63Low67.1Low139 Ų139113.4 Ų113.465%0.6559%0.593SS**Hα-helixtrans-67.8-37.3172.8-62.9-161.5153.200110.9I88 N89 K94I88-E92 PolarHBondContact O-N 2.78Å; N89-E92 PolarHBondContact O-N 2.88Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 3.42Å
93G52.7Low64.5Low55 Ų55112.9 Ų112.957%0.56761%0.613SS**THydrogen-bonded Turntrans-77.71.5176.900000117.4N89N89-G93 PolarHBondContact O-N 3.23Å; N89-G93 VanDerWaalsContact O-N 3.08Å
94K51.5Low62.4Low167 Ų167116.9 Ų116.973%0.72664%0.639SS**THydrogen-bonded Turntrans-125.812.4-175.8-71.9-173176.8-1730115.2R90 E92R90-K94 WeakPolarHBondContact O-CB 3.48Å; R90-K94 WeakPolarHBondContact O-CG 3.36Å; E92-K94 VanDerWaalsContact C-N 3.34Å; E92-K94 PolarHBondContact O-N 3.42Å
95F42.3Very low59.9Low134 Ų134117.5 Ų117.559%0.58865%0.65SS**SBendtrans-104.86.9179.8-160.2-106.8000114.1
96S35.6Very low57.6Low80 Ų80123 Ų12356%0.55967%0.673SS**SBendtrans-98.67-170.755.10000116.1
97Y46.1Very low55Low200 Ų200124.6 Ų124.678%0.78469%0.685SS**SBendtrans-136.122.4-173.2-65-75000114
98L52.4Low52.8Low159 Ų159127.1 Ų127.183%0.83270%0.699SS**SBendtrans-135.533.5179.9-67.8175.2000112.4
99S41.3Very low50.9Low88 Ų88129.4 Ų129.462%0.61571%0.712SS**SBendtrans-141.3146.8162.6-70.60000106.2
100D44.7Very low48.6Very low161 Ų161129.5 Ų129.586%0.86172%0.718SS**  trans63.6121.6-166-46.2-33.1000111.8
101G40.2Very low46Very low76 Ų76133 Ų13378%0.78474%0.737SS**  cis137.2-18.96.100000112.4
102D46.7Very low43.8Very low157 Ų157135 Ų13584%0.8475%0.747SS**  trans-110.6139.8-176.4-73.5-61.7000112.2
103A38.8Very low42.2Very low104 Ų104133.5 Ų133.586%0.8675%0.751SS**  trans-112.899.9-17900000110.6
104V50Low41.1Very low139 Ų139137.8 Ų137.884%0.84276%0.761SS**  trans-133126.6168.9-175.80000109.6
105S41.2Very low40.4Very low88 Ų88136.8 Ų136.862%0.61577%0.769SS**  trans-69.3140.2175.1176.60000111.8
106N43.7Very low39.8Very low160 Ų160136.1 Ų136.186%0.85678%0.777SS**  trans-157.3121.4140.3-92.5-35.8000108.9
107N36.8Very low39.5Very low140 Ų140138.9 Ų138.975%0.74979%0.785SS**  trans-88.9147.6174-60.8-47.1000109.9
108N45Very low38.9Very low139 Ų139137.9 Ų137.974%0.74379%0.787SS**  trans167.2132.3156.5-102.751.4000106.7
109D49.1Very low38.1Very low134 Ų134138.1 Ų138.172%0.71779%0.789SS**  cis-126.7-119.4-8-73.6-71.1000110.7
110P40.1Very low37.6Very low110 Ų110138.2 Ų138.271%0.71479%0.789SS**  trans-135.4138.6-139.637.7-15.1000118
111F29.7Very low37Very low198 Ų198139.6 Ų139.687%0.86879%0.791SS**SBend176.767.9124.1-119-97000113.1
112F28.5Very low36.8Very low208 Ų208140.7 Ų140.791%0.91279%0.792SS**  trans-16596.7153.9-112.2-70.3000110.6
113S30.8Very low36.2Very low106 Ų106141.1 Ų141.174%0.74179%0.794SS**  trans-153.2104169.654.10000107.3
114N29.4Very low36.4Very low145 Ų145141.9 Ų141.978%0.77579%0.788SS**  649477.3-67.92.8000112.4
115T35.2Very low35.6Very low147 Ų147139.8 Ų139.890%0.90278%0.779SS**  trans-132.181.1154.6-440000108.4
116T30Very low35.4Very low120 Ų120141.7 Ų141.774%0.73678%0.781SS**  trans-113.2118.8161.4-46.30000106.1
117D30.9Very low35.1Very low138 Ų138144 Ų14474%0.73878%0.778SS**  trans162.7143.9134.9-84.6-18.5000112.1
118Q32.5Very low34.9Very low178 Ų178143.8 Ų143.883%0.83278%0.782SS**  trans60.5115.2165.8-21.7-16633.500118.3
119L34.9Very low34.1Very low164 Ų164140.1 Ų140.186%0.85978%0.778SS**  -170.9137106.1-98166.3000112.6
120S31Very low33.3Very low90 Ų90139.6 Ų139.663%0.62978%0.779SS**  trans14.4116.2158.658.10000121.8
121E32.6Very low33.1Very low191 Ų191142.9 Ų142.989%0.89378%0.782SS**  62151.3127.4-60.4-169.2149.400122.7
122A36.6Very low33.3Very low98 Ų98139.5 Ų139.581%0.8178%0.778SS**  trans61.3102168.800000117.5
123D33.7Very low33.7Very low166 Ų166134.8 Ų134.889%0.88877%0.768SS**  trans-134.3135.4138.7-149.7-16.4000110.4
124V41.7Very low33.8Very low121 Ų121137.2 Ų137.273%0.73377%0.771SS**  trans-132.8110.6-166.8167.90000109.9
125S34.5Very low33.8Very low94 Ų94136.6 Ų136.666%0.65777%0.773SS**  trans79.7109.4148.4-134.50000119
126I36.1Very low33.7Very low128 Ų128135.6 Ų135.666%0.65677%0.772SS**  87.1126.3116.2-82.1-176000120.9
127R36.9Very low33.8Very low208 Ų208135 Ų13579%0.78577%0.773SS**  trans70.4102.9149.1-77.7166.7-145.5-136.61.6121.3
128T32.5Very low33.8Very low136 Ų136135.3 Ų135.383%0.83478%0.779SS**  38.3117.6114.860.80000119.5
129G29.8Very low33.8Very low63 Ų63131.8 Ų131.865%0.64978%0.775SS**  trans161.181149.100000121.3
130T32.2Very low33.7Very low123 Ų123133.1 Ų133.176%0.75578%0.779SS**  trans73.7154149.278.80000120.5
131K34.8Very low33.7Very low179 Ų179133.4 Ų133.478%0.77879%0.786SS**  trans75.998.9159.1-62.9156.3-172.9170.50119.5
132T34.5Very low33.7Very low127 Ų127132.1 Ų132.178%0.77978%0.784SS**  23.4156.5111.358.70000120.7
133P37.2Very low33.4Very low108 Ų108135.6 Ų135.670%0.70178%0.784SS**  cis-140.3-158.6-1.4252.6000114
134I32.2Very low33.6Very low158 Ų158137.4 Ų137.481%0.8178%0.784SS**  trans118.3121.3145.4-62.1162.7000115.5
135T29.1Very low33.4Very low131 Ų131137.5 Ų137.580%0.80479%0.788SS**  trans-105.6157.3172.350.40000110.6
136S33.5Very low33.6Very low127 Ų127136.7 Ų136.789%0.88879%0.794SS**  trans-133.6140.1154.959.80000111
137S31.5Very low33.5Very low107 Ų107136.1 Ų136.175%0.74880%0.801SS**  trans-145.1152176.554.90000108.4
138V32.3Very low33.5Very low144 Ų144133 Ų13387%0.87380%0.799SS**  trans-137.2130.3173.3-177.80000108.3
139S31.6Very low33.7Very low105 Ų105130.8 Ų130.873%0.73479%0.789SS**  trans-120166-179.9-53.40000110
140M32.5Very low34.1Very low192 Ų192133.7 Ų133.795%0.94679%0.789SS**  trans-138.5141.2158.1-98.4-177.6-83.100109.8
141A31.2Very low34.3Very low95 Ų95135.2 Ų135.279%0.78579%0.791SS**  trans-156.3153-178.100000110.3
142L33.2Very low34.5Very low164 Ų164131.8 Ų131.886%0.85979%0.787SS**  trans-160.7160.9173.7-80.6175.5000108.7
143E31.3Very low34.5Very low171 Ų171135 Ų13580%0.79979%0.791SS**  -157.9160.9-67.2-121.4179.2173.500110
144F36.4Very low34.4Very low205 Ų205137 Ų13790%0.89979%0.79SS**  trans-150.5137.3-179.3-93.7-74.6000113
145P38.4Very low34.5Very low123 Ų123136.1 Ų136.180%0.79979%0.786SS**  trans-118.9161.2156.836.8-26.1000112.1
146G38.3Very low34.9Very low77 Ų77135.4 Ų135.479%0.79478%0.783SS**  cis113.3128.76.800000111.9
147S35.2Very low34.8Very low115 Ų115132.5 Ų132.580%0.80477%0.773SS**  cis-150.9-146.9-0.143.70000109.1
148I36.1Very low35Very low143 Ų143134.7 Ų134.773%0.73378%0.775SS**  cis-166.9152.412.8-153.8168.9000112.7
149S37Very low34.8Very low89 Ų89132.9 Ų132.962%0.62277%0.765SS**  trans46173.5153.886.40000123.3
150D38.7Very low35Very low125 Ų125135.8 Ų135.867%0.66877%0.766SS**  cis-162.8142.310.7-126.7-33000117.3
151I35Very low34.8Very low154 Ų154131.5 Ų131.579%0.7976%0.755SS**  trans51.4160.6152.847.9-179.5000127.1
152P39.1Very low34.9Very low107 Ų107133.3 Ų133.370%0.69576%0.756SS**  trans-138.2-151.7-153.344.8-23.8000117.4
153K35.6Very low34.8Very low196 Ų196131.6 Ų131.685%0.85275%0.753SS**  trans109.3156.3166.5-66.2169.3-175.3174.30116.3
154H34.5Very low35.1Very low148 Ų148129.3 Ų129.369%0.68575%0.752SS**  cis-169.8125.6-6.2151.6-61.1000115.6
155I33.9Very low35Very low140 Ų140128.6 Ų128.672%0.71875%0.752SS**  trans59.8-167.5139.5-26179.1000120.4
156P38.3Very low34.7Very low116 Ų116127.2 Ų127.275%0.75375%0.745SS**  -128.1-178.1-112.842.5-26000120.3
157G31.4Very low34.6Very low66 Ų66130.4 Ų130.468%0.6874%0.743SS**  141.6165.4124.200000120.9
158I35Very low34.7Very low154 Ų154130.3 Ų130.379%0.7974%0.738SS**  trans74.7103.6159.1-54.9169.3000115.4
159T28.2Very low34.6Very low106 Ų106130.1 Ų130.165%0.6574%0.738SS**  58.3135.275.263.40000114.8
160H35Very low34.7Very low165 Ų165134.3 Ų134.376%0.76475%0.748SS**  -158.1-176.854.2-79.7-87.4000114.6
161S28.4Very low34.6Very low103 Ų103135.2 Ų135.272%0.7275%0.748SS**  trans-65.6169.6176.349.50000115.3
162V34.2Very low34.7Very low133 Ų133135.1 Ų135.181%0.80675%0.746SS**  -163.7169.985.8156.40000112.2
163T30.3Very low34.4Very low128 Ų128136.6 Ų136.679%0.78575%0.748SS**  trans-86.7166.7-162.747.20000118.2
164P37.5Very low34.4Very low122 Ų122131.2 Ų131.279%0.79274%0.74SS**  trans-110.9174.3177.542.5-34.9000116.1
165E34.1Very low34.2Very low190 Ų190129.7 Ų129.789%0.88874%0.741SS**  trans-141.2171.1166.1-62.1-177.3157.800108
166S32.6Very low34.1Very low94 Ų94134 Ų13466%0.65775%0.75SS**  cis-167.7-161.7-43.367.60000106.9
167I37.4Very low34Very low144 Ų144132.8 Ų132.874%0.73875%0.749SS**  trans73.7107.6173.5-60.1163.7000114.2
168T36.6Very low34.3Very low114 Ų114136 Ų13670%0.69976%0.759SS**  73.7143.357.372.60000114.3
169D34.7Very low34Very low138 Ų138134 Ų13474%0.73876%0.758SS**  cis-165.4-170.7-10-124.5-52.2000111.1
170Q37.5Very low34.4Very low177 Ų177135 Ų13583%0.82777%0.77SS**  trans86.6151.1154.3-48.2-168.919.900120.5
171H37.8Very low34.2Very low145 Ų145132 Ų13267%0.67177%0.767SS**  cis-170.3164.8-38.5-147.5-82.6000111.5
172M36.6Very low34.4Very low152 Ų152134.3 Ų134.375%0.74977%0.768SS**  trans74.3161.2162.5-54.1-63.1178.600120.2
173N32.7Very low34.4Very low138 Ų138136.4 Ų136.474%0.73877%0.769SS**  -167.8173.7-53.5-140.2-19.5000112
174A35Very low34.3Very low83 Ų83138.3 Ų138.369%0.68677%0.767SS**  trans71.3131.117200000116.8
175T30.2Very low34.1Very low116 Ų116139.2 Ų139.271%0.71277%0.77SS**  cis93.1110.931.5-62.20000113.8
176Y33.7Very low34Very low231 Ų231136.2 Ų136.291%0.90677%0.765SS**  -175.6151.2129.4-106.7-68.8000112.1
177A35.2Very low34.1Very low89 Ų89137.7 Ų137.774%0.73678%0.775SS**  trans-152.3146.5168.200000110.1
178P37.9Very low34.1Very low135 Ų135135.9 Ų135.988%0.87778%0.781SS**  trans-122.9151.6166.237.6-26.5000113.3
179S29.6Very low34.2Very low112 Ų112140 Ų14078%0.78379%0.793SS**  trans-126.9142.7173.753.90000110.3
180S34.9Very low34.3Very low127 Ų127144.8 Ų144.889%0.88880%0.8SS**  trans-176.2156.7160.4-93.10000115.7
181S32Very low34.3Very low101 Ų101145.1 Ų145.171%0.70680%0.802SS**  trans74.6113.4158.9-147.10000119.5
182M31.6Very low34.3Very low152 Ų152147.8 Ų147.875%0.74981%0.812SS**  trans-93150.2158.5-63.7-166-59.500110.2F184M182-F184 HydrophobicContact CE-CD2 4.37Å; M182-F184 HydrophobicContact CE-CE2 4.01Å; M182-F184 HydrophobicContact SD-CE2 3.95Å
183H34.6Very low34.1Very low177 Ų177150.4 Ų150.482%0.81982%0.819SS**  trans-129.4122.3152.9-85.4-87.2000109.9
184F28.2Very low34.2Very low168 Ų168147.9 Ų147.974%0.73782%0.817SS**  trans-90.9132.6168.1-90.7-94.1000109.7M182M182-F184 HydrophobicContact CE-CD2 4.37Å; M182-F184 HydrophobicContact CE-CE2 4.01Å; M182-F184 HydrophobicContact SD-CE2 3.95Å
185T34.2Very low34.3Very low140 Ų140151.7 Ų151.786%0.85982%0.821SS**  trans-137.5108158.752.30000109
186T30.6Very low34.6Very low127 Ų127153.3 Ų153.378%0.77983%0.825SS**  trans-87.2124.6173.648.90000110.6
187S34.9Very low34.9Very low125 Ų125146.9 Ų146.987%0.87481%0.806SS**  trans-138.4133.8155.9-79.30000107.9
188A38.6Very low35.2Very low106 Ų106149.1 Ų149.188%0.87680%0.803SS**  trans-94.9137.8179.300000110.3
189E38.7Very low35.3Very low202 Ų202148.7 Ų148.794%0.94479%0.785SS**  trans-142.6163.1159.4-143.3159.4-151.200111.3
190R35Very low36.1Very low237 Ų237147.8 Ų147.889%0.89477%0.768SS**  trans-91165.2-152.8-73.5-177.9169.6111.5-7114.8
191E37.9Very low36.4Very low185 Ų185147.1 Ų147.186%0.86475%0.751SS**  trans-46.6137172.5-57.5158.897.900113.8
192K38.4Very low36.7Very low200 Ų200146.3 Ų146.387%0.8774%0.736SS**  trans-146.193.6137.5-110.9175.8-175-179.80109A194K192-A194 PolarHBondContact O-N 3.46Å
193K33.1Very low36.7Very low207 Ų207144.1 Ų144.190%0.973%0.727SS**  trans-74.376.4175.6-169.2-177.9-178.8-174.20109.5
194A33.3Very low36.7Very low85 Ų85141.3 Ų141.370%0.70272%0.723SS**  trans-79.1122.7173.200000109.7K192 N196K192-A194 PolarHBondContact O-N 3.46Å; A194-N196 PolarHBondContact O-N 3.25Å
195E38.8Very low36.7Very low163 Ų163139.2 Ų139.276%0.76272%0.724SS**  trans-69101.5172.5-66.4-178.1155.900109L197E195-L197 VanDerWaalsContact C-N 3.27Å; E195-L197 PolarHBondContact O-N 3.39Å
196N35.2Very low36.4Very low151 Ų151138.6 Ų138.681%0.80773%0.725SS**  trans-80.677.1-173.7-154.212.3000109.9A194 M198A194-N196 PolarHBondContact O-N 3.25Å; N196-M198 VanDerWaalsContact C-N 3.27Å; N196-M198 PolarHBondContact O-N 2.84Å
197L40.2Very low36.4Very low95 Ų95136 Ų13650%0.49772%0.723SS.*  trans-60.488.6172.4-83168000109.6Y33 E195 Y199Y33-L197 HydrophobicContact CD2-CD2 4.48Å; Y33-L197 HydrophobicContact CE2-CD2 4.42Å; E195-L197 VanDerWaalsContact C-N 3.27Å; E195-L197 PolarHBondContact O-N 3.39Å; L197-Y199 VanDerWaalsContact C-N 3.32Å; L197-Y199 PolarHBondContact O-N 2.85Å
198M42.3Very low36.2Very low136 Ų136136.1 Ų136.167%0.6772%0.718SS**  trans-74.880.5-169-169.2177.169.400111.7N196 H200N196-M198 VanDerWaalsContact C-N 3.27Å; N196-M198 PolarHBondContact O-N 2.84Å; M198-H200 HydrophobicContact CG-CB 4.31Å; M198-H200 PolarHBondContact O-N 3.44Å
199Y40.3Very low35.8Very low127 Ų127136.1 Ų136.150%0.49871%0.708SS.*  trans-67.578.4162.5-71.4-72000110M29 L197 E201M29-Y199 HydrophobicContact CB-CE1 4.48Å; M29-Y199 HydrophobicContact SD-CD1 4.28Å; M29-Y199 HydrophobicContact SD-CE1 3.92Å; L197-Y199 VanDerWaalsContact C-N 3.32Å; L197-Y199 PolarHBondContact O-N 2.85Å; Y199-E201 PolarHBondContact O-N 2.87Å
200H46.1Very low35.4Very low92 Ų92134 Ų13443%0.42670%0.701SS.*  trans-75.895.2175.5-139.7-42.1000109.9M198 Q202M198-H200 HydrophobicContact CG-CB 4.31Å; M198-H200 PolarHBondContact O-N 3.44Å; H200-Q202 PolarHBondContact O-N 2.81Å
201E40.2Very low35.3Very low114 Ų114125.7 Ų125.753%0.53369%0.689SS.*  trans-79.6101.3161.4-170.3154.5177.900106.9F55 Y199 D203F55-E201 HydrophobicContact CE1-CG 3.98Å; F55-E201 WeakPolarHBondContact CE1-OE1 3.25Å; Y199-E201 PolarHBondContact O-N 2.87Å; E201-D203 PolarHBondContact O-N 3.49Å
202Q38.6Very low35Very low83 Ų83121.7 Ų121.739%0.38867%0.671SS.*  trans-8797.5178-72.2-174.7-12.100109.5H200 T204H200-Q202 PolarHBondContact O-N 2.81Å; Q202-T204 HydrophobicContact CB-CG2 4.2Å; Q202-T204 PolarHBondContact O-N 2.92Å
203D31.9Very low35Very low106 Ų106117.1 Ų117.157%0.56766%0.664SS**  trans-72.5100.8158.8-87.9-38.2000108.3K53 E201 T205K53-D203 IonicContact NZ-OD1 2.79Å; K53-D203 PolarHBondContact NZ-OD1 2.82Å; E201-D203 PolarHBondContact O-N 3.49Å; D203-T205 VanDerWaalsContact C-N 3.31Å; D203-T205 PolarHBondContact O-N 3.1Å
204T34.2Very low35Very low119 Ų119116 Ų11673%0.7365%0.654SS**  trans-77.170-167.440.80000113.9Q202Q202-T204 HydrophobicContact CB-CG2 4.2Å; Q202-T204 PolarHBondContact O-N 2.92Å
205T29.4Very low35.3Very low124 Ų124116.1 Ų116.176%0.76165%0.646SS**SBendtrans-101.191.1163.8510000111D203D203-T205 VanDerWaalsContact C-N 3.31Å; D203-T205 PolarHBondContact O-N 3.1Å
206S27.8Very low35Very low127 Ų127112.1 Ų112.189%0.88863%0.63SS**SBendtrans65127.2-179.872.30000116.4
207G30.6Very low35Very low71 Ų71110.5 Ų110.573%0.73262%0.617SS**  trans169.183.9178.800000114.6
208V30.4Very low34.9Very low128 Ų128109.4 Ų109.478%0.77661%0.612SS**  trans32.4104.7154.1-173.30000117.8I210V208-I210 HydrophobicContact CG1-CD1 3.75Å; V208-I210 HydrophobicContact CG1-CG1 3.82Å
209V29.9Very low34.4Very low107 Ų107106.1 Ų106.165%0.64860%0.601SS**  trans-92.6122.7165.2177.40000109.8E212V209-E212 HydrophobicContact CG1-CG 3.77Å
210I30Very low34.2Very low156 Ų156107.7 Ų107.780%0.861%0.606SS**  trans-141.7122.1169.5-61.3174.9000107V208V208-I210 HydrophobicContact CG1-CD1 3.75Å; V208-I210 HydrophobicContact CG1-CG1 3.82Å
211G32Very low33.8Very low64 Ų64110.7 Ų110.766%0.6662%0.621SS**  trans135.31.8176.800000116.9S213G211-S213 PolarHBondContact O-N 3.21Å
212E31.9Very low33.5Very low100 Ų100110.3 Ų110.347%0.46762%0.621SS.*THydrogen-bonded Turntrans-79107-176.3-65.2-176.4148.800112.7V209V209-E212 HydrophobicContact CG1-CG 3.77Å
213S38.8Very low33.2Very low104 Ų104112.8 Ų112.873%0.72764%0.636SS**THydrogen-bonded Turntrans-161.7-22.5161.9-770000115.1G211G211-S213 PolarHBondContact O-N 3.21Å
214R33.8Very low33.2Very low183 Ų183114.7 Ų114.769%0.69165%0.645SS**SBendtrans-126.2-13.7177.1-74.2176.372.4175.5-1.2115.5N216 E217R214-N216 VanDerWaalsContact C-N 3.28Å; R214-N216 PolarHBondContact O-N 2.78Å; R214-E217 PolarHBondContact O-N 3Å
215V38.5Very low33Very low89 Ų89113.8 Ų113.854%0.53964%0.635SS.*Hα-helixtrans-63-37.1176.6-1770000111.3E217 L218 C219V215-E217 VanDerWaalsContact C-N 3.28Å; V215-E217 PolarHBondContact O-N 3.14Å; V215-L218 PolarHBondContact O-N 3.5Å; V215-C219 PolarHBondContact O-N 2.7Å; V215-C219 VanDerWaalsContact O-N 3.17Å; V215-C219 PolarHBondContact O-SG 3.43Å
216N33Very low33Very low79 Ų79115.5 Ų115.542%0.42264%0.64SS.*Hα-helixtrans-69.8-21.4-178-63.6-10.5000113.7R214 R220R214-N216 VanDerWaalsContact C-N 3.28Å; R214-N216 PolarHBondContact O-N 2.78Å; N216-R220 WeakPolarHBondContact O-CG 3.45Å
217E35.5Very low33.2Very low116 Ų116116.7 Ų116.754%0.54263%0.632SS.*Hα-helixtrans-72.1-51.5173.5-127.373.8-112.400110.4R214 V215 C219 R220 E221R214-E217 PolarHBondContact O-N 3Å; V215-E217 VanDerWaalsContact C-N 3.28Å; V215-E217 PolarHBondContact O-N 3.14Å; E217-C219 VanDerWaalsContact C-N 3.27Å; E217-C219 PolarHBondContact O-N 3.26Å; E217-R220 WeakPolarHBondContact O-CB 3.43Å; E217-R220 PolarHBondContact O-N 3.4Å; E217-E221 PolarHBondContact O-N 3.18Å
218L37.4Very low33.3Very low72 Ų72118.7 Ų118.738%0.37763%0.63SS.*Hα-helixtrans-61.3-35.7179.4-71168.5000112.2Y69 V215 R220 I222Y69-L218 HydrophobicContact CE1-CD1 4.41Å; V215-L218 PolarHBondContact O-N 3.5Å; L218-R220 PolarHBondContact O-N 2.82Å; L218-I222 WeakPolarHBondContact O-CD1 3.17Å; L218-I222 VanDerWaalsContact O-CG1 3.32Å; L218-I222 WeakPolarHBondContact O-CG1 3.34Å; L218-I222 PolarHBondContact O-N 2.67Å
219C33.2Very low33.2Very low67 Ų67120 Ų12045%0.45363%0.633SS.*Hα-helixtrans-68.7-15.4174.2-69.50000114.2V215 E217 I223V215-C219 PolarHBondContact O-N 2.7Å; V215-C219 VanDerWaalsContact O-N 3.17Å; V215-C219 PolarHBondContact O-SG 3.43Å; E217-C219 VanDerWaalsContact C-N 3.27Å; E217-C219 PolarHBondContact O-N 3.26Å; C219-I223 WeakPolarHBondContact O-CD1 3.28Å; C219-I223 WeakPolarHBondContact O-CG1 3.29Å
220R36.1Very low33.3Very low161 Ų161123.2 Ų123.261%0.60864%0.64SS**Hα-helixtrans-85.8-38.2176.5-76.8172.4169.2175-3.5112.9N216 E217 L218 I222N216-R220 WeakPolarHBondContact O-CG 3.45Å; E217-R220 WeakPolarHBondContact O-CB 3.43Å; E217-R220 PolarHBondContact O-N 3.4Å; L218-R220 PolarHBondContact O-N 2.82Å; R220-I222 VanDerWaalsContact C-N 3.34Å
221E36.5Very low33.4Very low155 Ų155120.9 Ų120.972%0.72464%0.636SS**Hα-helixtrans-68.8-33.1176.9-65.2-169134.400112.4E217 I223E217-E221 PolarHBondContact O-N 3.18Å; E221-I223 PolarHBondContact O-N 2.67Å
222I33.2Very low33.1Very low105 Ų105127.8 Ų127.854%0.53865%0.648SS.*THydrogen-bonded Turntrans-76-6.3-175.5-65.1170.5000113.3L218 R220L218-I222 WeakPolarHBondContact O-CD1 3.17Å; L218-I222 VanDerWaalsContact O-CG1 3.32Å; L218-I222 WeakPolarHBondContact O-CG1 3.34Å; L218-I222 PolarHBondContact O-N 2.67Å; R220-I222 VanDerWaalsContact C-N 3.34Å
223I34.2Very low33.2Very low136 Ų136130.5 Ų130.570%0.69767%0.666SS**THydrogen-bonded Turntrans-98.7-3.7-176-68.7177.1000113.1C219 E221C219-I223 WeakPolarHBondContact O-CD1 3.28Å; C219-I223 WeakPolarHBondContact O-CG1 3.29Å; E221-I223 PolarHBondContact O-N 2.67Å
224L30.1Very low32.7Very low145 Ų145129.9 Ų129.976%0.75966%0.661SS**  trans-10459.7-172.3-67176.7000114.3
225D30.5Very low32.6Very low100 Ų100128.5 Ų128.554%0.53567%0.667SS.*  trans-157.556.9173.4-1371.1000116.6R82R82-D225 IonicContact CZ-OD1 2.69Å; R82-D225 IonicContact CZ-OD2 2.71Å; R82-D225 IonicContact NE-OD2 3.59Å; R82-D225 IonicContact NH1-OD1 3.13Å; R82-D225 PolarHBondContact NH1-OD1 3.44Å; R82-D225 IonicContact NH1-OD2 2.76Å; R82-D225 PolarHBondContact NH1-OD2 3.27Å; R82-D225 PolarHBondContact NH2-O 2.82Å; R82-D225 IonicContact NH2-OD1 3Å; R82-D225 PolarHBondContact NH2-OD1 2.88Å; R82-D225 IonicContact NH2-OD2 3.85Å
226D29.9Very low32.3Very low160 Ų160131.6 Ų131.686%0.85668%0.68SS**  trans-139.562.5172.8-152.111.6000112.8
227E32.3Very low32.1Very low153 Ų153139 Ų13972%0.71570%0.702SS**  trans-129141.3173-101.4-62.217100112.3
228T31.2Very low31.9Very low112 Ų112138.1 Ų138.169%0.68771%0.709SS**  trans52.6113.5177.967.70000118.4
229N29.5Very low31.6Very low157 Ų157140.2 Ų140.284%0.8473%0.73SS**  trans-175.586.7135.9-105.5-67.3000112.4
230Q31.4Very low31.4Very low173 Ų173141.2 Ų141.281%0.80874%0.737SS**  trans-130.8120.3157.8-84.8-68.3-18.200107.8F232Q230-F232 PolarHBondContact O-N 3.19Å
231P31.3Very low31.3Very low108 Ų108143.6 Ų143.670%0.70175%0.746SS**  trans-73.3118.5-176.728.6-33.1000110.4N233P231-N233 PolarHBondContact O-N 2.76Å
232F27Very low30.9Very low209 Ų209142 Ų14292%0.91774%0.743SS**  trans-59.8127.9164.2-90.3-101000109.5Q230Q230-F232 PolarHBondContact O-N 3.19Å
233N33.9Very low30.8Very low157 Ų157145.4 Ų145.484%0.8476%0.756SS**  trans-128.3135152.3-101-55000107.8P231P231-N233 PolarHBondContact O-N 2.76Å
234S28.6Very low30.5Very low90 Ų90146.2 Ų146.263%0.62976%0.76SS**  trans-78.9151.8-176.959.30000111.4
235D31.8Very low30.7Very low155 Ų155144.4 Ų144.483%0.82976%0.757SS**  -164.8169.5100.7-95.8-4.1000112.5
236L31.6Very low30.7Very low153 Ų153147.8 Ų147.880%0.80177%0.769SS**  trans-111.1163.7-150.9-73.8163.8000114.4
237R29.2Very low30.5Very low234 Ų234146.6 Ų146.688%0.88376%0.762SS**  trans103.4144.6154.9-58.7179.3173.8-138-3.2117.1
238S30.2Very low30.3Very low99 Ų99147.1 Ų147.169%0.69276%0.764SS**  cis155.9110.4-44.158.40000111
239S31.2Very low30.2Very low116 Ų116150.7 Ų150.781%0.81177%0.77SS**  trans-177.2133.3142-82.50000108.7
240S30.4Very low30.3Very low87 Ų87146.6 Ų146.661%0.60877%0.765SS**  69.213366.8-131.60000111.9
241R33Very low30.3Very low211 Ų211143.8 Ų143.880%0.79677%0.765SS**  cis-160.8146.216.6-157.7170.7-67171.2-0.7114.2
242N29Very low30.4Very low122 Ų122146.7 Ų146.765%0.65277%0.769SS**  trans1.7136.6159.7-41.6-5000122
243H31.7Very low30.6Very low176 Ų176143.1 Ų143.182%0.81576%0.755SS**  176.9178.8102.5-96.7-68000114.6
244I27.8Very low30.5Very low154 Ų154143.6 Ų143.679%0.7975%0.75SS**  trans-157.3151.5-154.2-91.3153.4000107.4
245P33.4Very low30.6Very low106 Ų106143.9 Ų143.969%0.68875%0.752SS**  cis-147.3170.83938.1-15.1000121
246Q30.7Very low30.5Very low171 Ų171141.3 Ų141.380%0.79974%0.742SS**  trans23.4155.9137.3-52.21771.900126.6
247I26.2Very low30.8Very low135 Ų135142.5 Ų142.569%0.69274%0.743SS**  137.5125.4124.4-65-163.4000116.8
248H28.1Very low30.9Very low165 Ų165136 Ų13676%0.76473%0.726SS**  trans63.4163.5159.3-83.449.7000122
249F29.2Very low31.2Very low186 Ų186142.4 Ų142.482%0.81674%0.735SS**  cis-180157.2-46.8-117.5-69.5000109.3
250G31.2Very low31.3Very low72 Ų72140.7 Ų140.774%0.74274%0.735SS**  trans166.2144.8169.100000115.3
251S30.6Very low31.4Very low113 Ų113141.9 Ų141.979%0.7974%0.743SS**  trans-149.6161.8-163.7-49.50000115.1
252Q34.5Very low31.5Very low169 Ų169137.4 Ų137.479%0.7975%0.745SS**  trans176173.7158.5-100.8-166.3-60.600108.8
253E29.7Very low31.6Very low134 Ų134138.9 Ų138.963%0.62675%0.752SS**  cis179.2165.7-39.7-102.9174.9-166.700107.3
254F31.8Very low31.6Very low167 Ų167137.1 Ų137.173%0.73275%0.747SS**  cis-165.7160.4-4.5-128.5-41.9000111
255S30.5Very low31.9Very low96 Ų96136.4 Ų136.467%0.67175%0.745SS**  trans73.6145.4135.2-172.60000123
256T31.6Very low32Very low101 Ų101136.5 Ų136.562%0.6275%0.745SS**  cis-169.4168.1-24.238.80000113.6
257H37.7Very low32Very low178 Ų178135.4 Ų135.482%0.82475%0.745SS**  trans84.5153.7148.6-65.7-48.6000123.2
258N31.5Very low32.3Very low98 Ų98138.2 Ų138.252%0.52476%0.758SS.*  170.8142-64.6178.4-43.2000111.7
259R34.9Very low32.5Very low234 Ų234138.7 Ų138.788%0.88376%0.758SS**  trans143.4114.9140.2-77.6-179.9176175.5-0.5120.4
260G32.9Very low32.6Very low79 Ų79135.3 Ų135.381%0.81476%0.757SS**  trans65.3163.6133.600000123.4
261S32.5Very low32.4Very low112 Ų112138 Ų13878%0.78375%0.753SS**  cis-175.3170-13.9540000113.4
262S35.3Very low32.5Very low118 Ų118139 Ų13983%0.82575%0.754SS**  trans75.2153.9163.979.10000119.3
263L31.4Very low32.3Very low152 Ų152135.9 Ų135.980%0.79675%0.751SS**  cis-172.1173.7-22-171.669.3000109.1
264I32.9Very low32.3Very low139 Ų139134.3 Ų134.371%0.71375%0.754SS**  trans78143.1163.3-55.3-176.9000116.9
265D32.4Very low32.2Very low140 Ų140133.2 Ų133.275%0.74976%0.756SS**  cis-164.7165.1-36-95.2-39.7000110.6
266P35.8Very low32.4Very low108 Ų108136 Ų13670%0.70176%0.758SS**  trans-117.1111.1-16837.4-25000117.3
267N31.7Very low32.4Very low148 Ų148138.5 Ų138.579%0.79177%0.767SS**  trans-173133.3153.5-121.4-76.5000114.6
268M33Very low31.8Very low194 Ų194134.7 Ų134.796%0.95676%0.76SS**  trans-171.5158.4137.6-108.4-175-175.100112
269K30.7Very low31.6Very low175 Ų175134.7 Ų134.776%0.76177%0.768SS**  trans-131.5152.5-170.8-65-179.3-179.71780113.5
270S31.7Very low31.3Very low114 Ų114133.2 Ų133.280%0.79777%0.769SS**  trans-160.7118157.6-150.10000105.4
271I28.1Very low31.2Very low128 Ų128139.2 Ų139.266%0.65677%0.767SS**  cis56.210942.1-31.6176.3000108.6
272V31Very low31.3Very low134 Ų134139 Ų13981%0.81276%0.763SS**  -155.115156.5162.30000108.4
273S30.8Very low31.1Very low104 Ų104139.8 Ų139.873%0.72775%0.754SS**  cis-167.3178.4-19.6-85.50000108.9
274S29.3Very low31.2Very low101 Ų101138 Ų13871%0.70675%0.745SS**  trans-86.5161.6-178.7-48.20000114.6
275D30.6Very low31.5Very low144 Ų144138 Ų13877%0.7775%0.745SS**  -174.4163.998.7-96.2-26.6000115.7
276H34.7Very low31.6Very low154 Ų154138.4 Ų138.471%0.71374%0.742SS**  trans75.790.2171.9-60.8-63.1000121.2
277L31.1Very low31.5Very low154 Ų154137.4 Ų137.481%0.80673%0.731SS**  59.5140.2123.2-59.3164.7000120.9
278S26.7Very low31.6Very low98 Ų98135.4 Ų135.469%0.68572%0.715SS**  cis-173.1141.7-1748.20000111.3
279S26.4Very low31.9Very low98 Ų98135.8 Ų135.869%0.68571%0.706SS**  trans60112.6160.8-1740000119.4
280F28.9Very low32Very low203 Ų203130.2 Ų130.289%0.8969%0.689SS**  -164.2156.8108.6-98.8-68.7000109.9
281R30.9Very low32.3Very low205 Ų205130.9 Ų130.977%0.77468%0.68SS**  trans-98.5141.4-172.8-66.3-170.8-177.7-173.42.3113.3E283R281-E283 WeakPolarHBondContact CD-OE1 3.36Å; R281-E283 IonicContact CZ-OE1 3.59Å; R281-E283 IonicContact NE-OE1 2.61Å; R281-E283 IonicContact NH1-OE1 3.92Å; R281-E283 PolarHBondContact NH1-OE1 3.38Å; R281-E283 PolarHBondContact O-N 2.68Å
282P33.7Very low32.9Very low109 Ų109129.1 Ų129.171%0.70868%0.675SS**  trans-97.366.2172.537.9-33.8000113N284P282-N284 PolarHBondContact O-N 3.28Å
283E31.9Very low33.2Very low134 Ų134127.7 Ų127.763%0.62666%0.659SS**  trans-91.490.5168.1-72.2173.9-130.500109.1R281R281-E283 WeakPolarHBondContact CD-OE1 3.36Å; R281-E283 IonicContact CZ-OE1 3.59Å; R281-E283 IonicContact NE-OE1 2.61Å; R281-E283 IonicContact NH1-OE1 3.92Å; R281-E283 PolarHBondContact NH1-OE1 3.38Å; R281-E283 PolarHBondContact O-N 2.68Å
284N33.7Very low33.4Very low114 Ų114126.3 Ų126.361%0.6164%0.643SS**  trans-176.3-18.5164.1-102.8-21.5000114.9P282 Q286 N287P282-N284 PolarHBondContact O-N 3.28Å; N284-Q286 PolarHBondContact O-N 3.5Å; N284-Q286 VanDerWaalsContact O-N 3.13Å; N284-N287 WeakPolarHBondContact O-CB 3.01Å; N284-N287 PolarHBondContact O-N 3.42Å; N284-N287 PolarHBondContact OD1-ND2 2.86Å
285I38.1Very low33.6Very low139 Ų139125.5 Ų125.571%0.71364%0.637SS**THydrogen-bonded Turntrans-66.1-18.9-170.4-65.4171.3000113.9
286Q34.8Very low33.8Very low149 Ų149124.5 Ų124.570%0.69663%0.626SS**THydrogen-bonded Turntrans-77.5-39.8170.2-68.5-73.9-13.500111.9N284 F288 R289 S290N284-Q286 PolarHBondContact O-N 3.5Å; N284-Q286 VanDerWaalsContact O-N 3.13Å; Q286-F288 PolarHBondContact O-N 3.16Å; Q286-R289 PolarHBondContact O-N 2.98Å; Q286-R289 VanDerWaalsContact O-N 3.15Å; Q286-S290 PolarHBondContact O-N 3.3Å; Q286-S290 VanDerWaalsContact O-N 3.13Å; Q286-S290 PolarHBondContact O-OG 3.48Å
287N34.2Very low34Very low87 Ų87120.9 Ų120.947%0.46561%0.612SS.*Hα-helixtrans-63.7-44.8-172.9-62.8-11.8000112N284 R289 S290 E291N284-N287 WeakPolarHBondContact O-CB 3.01Å; N284-N287 PolarHBondContact O-N 3.42Å; N284-N287 PolarHBondContact OD1-ND2 2.86Å; N287-R289 PolarHBondContact O-N 2.78Å; N287-S290 CarbonylContact O-C 3.56Å; N287-S290 WeakPolarHBondContact O-CA 3.47Å; N287-S290 WeakPolarHBondContact O-CB 3.27Å; N287-S290 PolarHBondContact O-N 2.92Å; N287-E291 PolarHBondContact O-N 3.21Å
288F33.5Very low34.3Very low106 Ų106117.9 Ų117.947%0.46560%0.597SS.*Hα-helixtrans-60.1-32.5177.5-167.6-92.9000112.8Q286 V292Q286-F288 PolarHBondContact O-N 3.16Å; F288-V292 HydrophobicContact CD1-CG2 4.27Å; F288-V292 HydrophobicContact CE1-CG2 4.08Å; F288-V292 HydrophobicContact CZ-CG2 4.38Å; F288-V292 WeakPolarHBondContact O-CG2 3.3Å; F288-V292 PolarHBondContact O-N 3.38Å
289R39Very low34.8Very low202 Ų202118.9 Ų118.976%0.76259%0.594SS**Hα-helixtrans-76.1-28.3176.7-161.6177.4-170.7175.73.1112.3Q286 N287 Q293Q286-R289 PolarHBondContact O-N 2.98Å; Q286-R289 VanDerWaalsContact O-N 3.15Å; N287-R289 PolarHBondContact O-N 2.78Å; R289-Q293 WeakPolarHBondContact O-CB 3.45Å
290S33.9Very low35.2Very low58 Ų58120 Ų12041%0.40659%0.592SS.*Hα-helixtrans-73.8-56.4168.6-57.90000110.9Q286 N287 V292 Q293 D294Q286-S290 PolarHBondContact O-N 3.3Å; Q286-S290 VanDerWaalsContact O-N 3.13Å; Q286-S290 PolarHBondContact O-OG 3.48Å; N287-S290 CarbonylContact O-C 3.56Å; N287-S290 WeakPolarHBondContact O-CA 3.47Å; N287-S290 WeakPolarHBondContact O-CB 3.27Å; N287-S290 PolarHBondContact O-N 2.92Å; S290-V292 PolarHBondContact O-N 3.28Å; S290-Q293 CarbonylContact O-C 3.53Å; S290-Q293 WeakPolarHBondContact O-CA 3.42Å; S290-Q293 WeakPolarHBondContact O-CB 3.41Å; S290-Q293 PolarHBondContact O-N 3.29Å; S290-D294 WeakPolarHBondContact O-CB 3.48Å; S290-D294 PolarHBondContact O-N 2.69Å
291E37.3Very low35.5Very low128 Ų128116.7 Ų116.760%0.59858%0.583SS**Hα-helixtrans-55.2-43.3-175.6-75.1-177102.700113.8N287 Q293 D294 C295N287-E291 PolarHBondContact O-N 3.21Å; E291-Q293 VanDerWaalsContact C-N 3.27Å; E291-Q293 PolarHBondContact O-N 2.68Å; E291-D294 PolarHBondContact O-N 3.04Å; E291-C295 WeakPolarHBondContact O-CB 3.44Å; E291-C295 PolarHBondContact O-N 3.16Å
292V39.6Very low35.4Very low91 Ų91110 Ų11055%0.55257%0.568SS**Hα-helixtrans-66.4-30.8176.8175.10000111.9F288 S290F288-V292 HydrophobicContact CD1-CG2 4.27Å; F288-V292 HydrophobicContact CE1-CG2 4.08Å; F288-V292 HydrophobicContact CZ-CG2 4.38Å; F288-V292 WeakPolarHBondContact O-CG2 3.3Å; F288-V292 PolarHBondContact O-N 3.38Å; S290-V292 PolarHBondContact O-N 3.28Å
293Q38Very low35.3Very low104 Ų104108.9 Ų108.949%0.48657%0.568SS.*Hα-helixtrans-82.8-31.2175.6-168.965.166.300112.1R289 S290 E291 F296 N297R289-Q293 WeakPolarHBondContact O-CB 3.45Å; S290-Q293 CarbonylContact O-C 3.53Å; S290-Q293 WeakPolarHBondContact O-CA 3.42Å; S290-Q293 WeakPolarHBondContact O-CB 3.41Å; S290-Q293 PolarHBondContact O-N 3.29Å; E291-Q293 VanDerWaalsContact C-N 3.27Å; E291-Q293 PolarHBondContact O-N 2.68Å; Q293-F296 CarbonylContact O-C 3.59Å; Q293-F296 VanDerWaalsContact O-CB 3.31Å; Q293-F296 WeakPolarHBondContact O-CB 3.34Å; Q293-F296 PolarHBondContact O-N 2.88Å; Q293-N297 PolarHBondContact NE2-OD1 3.39Å; Q293-N297 VanDerWaalsContact NE2-OD1 3.08Å; Q293-N297 WeakPolarHBondContact O-CB 3.48Å; Q293-N297 PolarHBondContact O-N 2.92Å; Q293-N297 PolarHBondContact O-ND2 2.75Å; Q293-N297 PolarHBondContact O-OD1 3.48Å
294D34.5Very low35.2Very low74 Ų74109.4 Ų109.440%0.39657%0.574SS.*Hα-helixtrans-79.1-33.8-179.4-79.5-41.5000111.7S290 E291 F296 N297 N298S290-D294 WeakPolarHBondContact O-CB 3.48Å; S290-D294 PolarHBondContact O-N 2.69Å; E291-D294 PolarHBondContact O-N 3.04Å; D294-F296 PolarHBondContact O-N 3.4Å; D294-N297 PolarHBondContact O-N 2.79Å; D294-N298 WeakPolarHBondContact CA-ND2 3.26Å; D294-N298 WeakPolarHBondContact CB-ND2 3.45Å; D294-N298 VanDerWaalsContact O-CB 3.25Å; D294-N298 WeakPolarHBondContact O-CB 3.33Å; D294-N298 PolarHBondContact O-N 3.43Å; D294-N298 PolarHBondContact O-ND2 2.78Å; D294-N298 PolarHBondContact OD1-ND2 3.4Å
295C35Very low34.9Very low84 Ų84109.2 Ų109.257%0.56858%0.581SS**Hα-helixtrans-63.7-28.8164.9-76.10000112E291E291-C295 WeakPolarHBondContact O-CB 3.44Å; E291-C295 PolarHBondContact O-N 3.16Å
296F34.3Very low34.4Very low123 Ų123111 Ų11154%0.53959%0.59SS.*Hα-helixtrans-77.5-41.5175.3-144.6-90.9000111.9Q293 D294Q293-F296 CarbonylContact O-C 3.59Å; Q293-F296 VanDerWaalsContact O-CB 3.31Å; Q293-F296 WeakPolarHBondContact O-CB 3.34Å; Q293-F296 PolarHBondContact O-N 2.88Å; D294-F296 PolarHBondContact O-N 3.4Å
297N38Very low34.1Very low79 Ų79107.2 Ų107.242%0.42259%0.591SS.*Hα-helixtrans-83.7-42.3-174-66.4-7.1000113.5Q293 D294 N299 L300Q293-N297 PolarHBondContact NE2-OD1 3.39Å; Q293-N297 VanDerWaalsContact NE2-OD1 3.08Å; Q293-N297 WeakPolarHBondContact O-CB 3.48Å; Q293-N297 PolarHBondContact O-N 2.92Å; Q293-N297 PolarHBondContact O-ND2 2.75Å; Q293-N297 PolarHBondContact O-OD1 3.48Å; D294-N297 PolarHBondContact O-N 2.79Å; N297-N299 PolarHBondContact O-N 3.39Å; N297-L300 PolarHBondContact O-N 2.84Å
298N38.2Very low33.8Very low90 Ų90110.8 Ų110.848%0.48161%0.611SS.*THydrogen-bonded Turntrans-79.2-20.4-170.5-66.4-69.7000113.5D294 L300 L301 S302D294-N298 WeakPolarHBondContact CA-ND2 3.26Å; D294-N298 WeakPolarHBondContact CB-ND2 3.45Å; D294-N298 VanDerWaalsContact O-CB 3.25Å; D294-N298 WeakPolarHBondContact O-CB 3.33Å; D294-N298 PolarHBondContact O-N 3.43Å; D294-N298 PolarHBondContact O-ND2 2.78Å; D294-N298 PolarHBondContact OD1-ND2 3.4Å; N298-L300 PolarHBondContact O-N 3.21Å; N298-L301 PolarHBondContact O-N 2.9Å; N298-L301 VanDerWaalsContact O-N 3.16Å; N298-S302 PolarHBondContact O-N 2.79Å
299N37.1Very low33.6Very low119 Ų119113.9 Ų113.964%0.63663%0.627SS**Hα-helixtrans-74.6-6.4174.8-114-6.5000114N297 L301 S302N297-N299 PolarHBondContact O-N 3.39Å; N299-L301 VanDerWaalsContact C-N 3.33Å; N299-S302 WeakPolarHBondContact CA-OG 3.39Å; N299-S302 PolarHBondContact O-OG 3.44Å; N299-S302 PolarHBondContact OD1-OG 2.73Å
300L34.8Very low33.3Very low122 Ų122112 Ų11264%0.63963%0.631SS**Hα-helixtrans-82.1-9.6168.6-103.5164.8000113.5N297 N298N297-L300 PolarHBondContact O-N 2.84Å; N298-L300 PolarHBondContact O-N 3.21Å
301L34.4Very low33.1Very low133 Ų133115 Ų11570%0.69665%0.648SS**Hα-helixtrans-108.9-20.8179.1-70.3169.5000113.4N298 N299N298-L301 PolarHBondContact O-N 2.9Å; N298-L301 VanDerWaalsContact O-N 3.16Å; N299-L301 VanDerWaalsContact C-N 3.33Å
302S30.4Very low32.9Very low66 Ų66115.4 Ų115.446%0.46265%0.654SS.*Hα-helixtrans-71.5-30.6173.953.90000113.1N298 N299 L304N298-S302 PolarHBondContact O-N 2.79Å; N299-S302 WeakPolarHBondContact CA-OG 3.39Å; N299-S302 PolarHBondContact O-OG 3.44Å; N299-S302 PolarHBondContact OD1-OG 2.73Å; S302-L304 VanDerWaalsContact C-N 3.26Å; S302-L304 PolarHBondContact O-N 2.71Å
303A30.2Very low32.6Very low85 Ų85116.5 Ų116.570%0.70266%0.657SS**THydrogen-bonded Turntrans-75.81-174.200000115.8
304L29.7Very low32.4Very low145 Ų145120.9 Ų120.976%0.75968%0.675SS**THydrogen-bonded Turntrans-11519.5-170.8-71.7172.2000114.8S302S302-L304 VanDerWaalsContact C-N 3.26Å; S302-L304 PolarHBondContact O-N 2.71Å
305S27.4Very low32.2Very low109 Ų109120.4 Ų120.476%0.76269%0.687SS**  trans-129.615.9-171.9-124.70000117.1
306I28.9Very low32.2Very low176 Ų176124.4 Ų124.490%0.90370%0.703SS**  trans-118.287.9176.4-52.2179.9000109.1
307G27.7Very low32.2Very low70 Ų70129.7 Ų129.772%0.72272%0.719SS**  trans-179.339.2-171.800000116
308N27.4Very low32.4Very low163 Ų163130.6 Ų130.687%0.87273%0.729SS**  trans-158173.5171.7-106.1-46.8000110.4
309Q30.4Very low32.2Very low171 Ų171130.7 Ų130.780%0.79974%0.743SS**  trans75.778.9-174.6-46.7-82.624.800114.3
310N32.7Very low32.1Very low161 Ų161131.4 Ų131.486%0.86175%0.752SS**  -176.1141.7110.2-85.5-22.4000110.3
311T28.5Very low32Very low123 Ų123130.4 Ų130.476%0.75576%0.755SS**  trans-105.3-172.9-177.857.90000111.6
312D34.9Very low32.1Very low135 Ų135128.8 Ų128.872%0.72276%0.761SS**  trans83.2138.7162-56.73.8000117.5
313N31.9Very low32.2Very low114 Ų114133.4 Ų133.461%0.6178%0.775SS**  cis-164.7145.5-31.6-134-37.1000110.9
314F34.3Very low32.6Very low197 Ų197135.8 Ų135.886%0.86478%0.775SS**  trans60151.7176-47.5-77000117.4
315G31.1Very low32.8Very low64 Ų64134.2 Ų134.266%0.6678%0.776SS**  cis177.2167.1-8.600000113.6
316N34.8Very low33.4Very low168 Ų168135.2 Ų135.290%0.89878%0.78SS**  trans77.876.5159-56.4-18.6000122.9
317R34Very low33.6Very low233 Ų233130.8 Ų130.888%0.87978%0.777SS**  -11.9171.5122-88.9-172.9150.6-133.80.7119.3
318P41Very low33.8Very low98 Ų98132.7 Ų132.764%0.63678%0.78SS**  cis-151.4-166.9-43.245.1-25000115.9
319A34.4Very low34.1Very low92 Ų92133.8 Ų133.876%0.7678%0.777SS**  trans70.6158.9158.300000117
320T36.4Very low34.2Very low134 Ų134130.8 Ų130.882%0.82278%0.775SS**  cis-143.4-172.320.253.60000110.1
321S32.4Very low34.2Very low101 Ų101132 Ų13271%0.70678%0.775SS**  cis-170.8164.9-41.759.10000110.6
322A35.3Very low34.8Very low99 Ų99131 Ų13182%0.81877%0.772SS**  trans69.9154.2158.100000119
323H33.6Very low34.7Very low164 Ų164130.1 Ų130.176%0.75978%0.776SS**  cis-170.6173.5-17.1179.9-140.7000110.3
324L37.5Very low34.6Very low135 Ų135129.8 Ų129.871%0.70778%0.782SS**  trans81.685.3167.6-58177.3000121.7
325S35.4Very low34.5Very low111 Ų111132 Ų13278%0.77679%0.787SS**  35.9152.3116.4-52.90000124.9
326P38.8Very low34.6Very low131 Ų131132.8 Ų132.885%0.85179%0.787SS**  trans-111.9178.6-168.143.6-34.4000116.1
327G34.4Very low34.5Very low82 Ų82131.2 Ų131.285%0.84578%0.783SS**  trans-128.3158.7168.900000112.9
328S31.4Very low34.5Very low111 Ų111128.5 Ų128.578%0.77678%0.781SS**  trans-115.5164.1-171.954.10000113
329F32.4Very low33.8Very low185 Ų185135.8 Ų135.881%0.81180%0.796SS**  163.7165.6106.5-146.3-104.8000113.8
330S33.5Very low33.9Very low109 Ų109136.8 Ų136.876%0.76280%0.797SS**  trans71.7130.9160.726.60000121.1
331E33.1Very low33.5Very low185 Ų185135.5 Ų135.586%0.86479%0.794SS**  trans-113.5-144.3-175.5-158-159.6-146.100109.3
332P40.4Very low33.7Very low104 Ų104138.1 Ų138.168%0.67580%0.799SS**  -124.7175.1-12343.4-26.8000117.1
333S33.1Very low33.7Very low115 Ų115138.9 Ų138.980%0.80479%0.793SS**  trans-164134.5145.9390000108.7
334S29.9Very low33.6Very low108 Ų108136.1 Ų136.176%0.75579%0.792SS**  cis84103.947.8-168.10000113.5
335Y32.7Very low33.3Very low244 Ų244135.7 Ų135.796%0.95780%0.801SS**  trans-142151.9156.1-104.1-81.5000109.6
336A33.1Very low33.4Very low80 Ų80141.3 Ų141.366%0.66181%0.805SS**  trans-135.9-161-161.300000112.7
337T31.1Very low33.1Very low134 Ų134147 Ų14782%0.82281%0.81SS**  trans71.4148.5175.513.50000114.3
338Q34.3Very low33.3Very low176 Ų176150.2 Ų150.282%0.82281%0.806SS**  cis-129154.711.1-62.2-179.51.400113.9
339R27.7Very low33.6Very low252 Ų252154.5 Ų154.595%0.95181%0.81SS**  trans-105.7138.1153.4-95-172.3171.4-158.80.5108.3
340S34.8Very low33.8Very low113 Ų113156.9 Ų156.979%0.7981%0.814SS**  trans-139.7144.6157.3510000109.5
341S29.6Very low33.8Very low107 Ų107157.1 Ų157.175%0.74881%0.813SS**  trans-93.4168.9175.650.50000110.4
342L36.4Very low33.9Very low155 Ų155154.1 Ų154.181%0.81281%0.807SS**  trans-178.4153.4131.2-97.5164.4000113.8
343T34.4Very low33.6Very low115 Ų115158.5 Ų158.571%0.70682%0.816SS**  trans66.5115.6150.348.20000123.6
344S31.7Very low33.5Very low106 Ų106160.7 Ų160.774%0.74181%0.813SS**  81.1101.2118.5-57.60000121.1
345S31.3Very low33.9Very low127 Ų127159.4 Ų159.489%0.88880%0.802SS**  trans-55.9135.2155-48.40000112.5
346R36.9Very low33.9Very low228 Ų228158.3 Ų158.386%0.8680%0.798SS**  trans-123.2114.7152.9-76.2-166.3176.8-159.90.3110.1I348R346-I348 PolarHBondContact O-N 2.76Å; R346-I348 VanDerWaalsContact O-N 3.16Å
347R32.9Very low33.9Very low252 Ų252161.2 Ų161.295%0.95180%0.803SS**  trans-71.498.6173.2176.5-169-80.1171.3-7.3108.7
348I39.4Very low33.9Very low148 Ų148162.4 Ų162.476%0.75980%0.799SS**  trans-109.3141.1171.8-61.5-177.7000109.1R346R346-I348 PolarHBondContact O-N 2.76Å; R346-I348 VanDerWaalsContact O-N 3.16Å
349K37.9Very low33.9Very low201 Ų201165 Ų16587%0.87480%0.802SS**PPolyproline II helixtrans-66.1144.5-168.5-60.7175.1-178.8177.80111.4
350R35.4Very low34.2Very low235 Ų235161.6 Ų161.689%0.88780%0.795SS**PPolyproline II helixtrans-65.2136.8163.4-65.7-179.5-179.6175.90.5108.3V352R350-V352 PolarHBondContact O-N 3.21Å
351P34Very low34.1Very low115 Ų115166.7 Ų166.775%0.74780%0.799SS**PPolyproline II helixtrans-65.8128.915929.2-31.3000108.2
352V35.3Very low34.5Very low121 Ų121166.6 Ų166.673%0.73380%0.795SS**PPolyproline II helixtrans-75.9137.7159.6176.60000106.4R350 E354R350-V352 PolarHBondContact O-N 3.21Å; V352-E354 HydrophobicContact CG1-CG 4.37Å
353F34.3Very low34.4Very low197 Ų197168.9 Ų168.986%0.86480%0.799SS**  trans-13783.2175.8-134.6-77.1000108.7
354E29.9Very low34.5Very low161 Ų161169.4 Ų169.475%0.75280%0.802SS**  trans-96.9164.6154.6-65.1172.7164.500107.3V352V352-E354 HydrophobicContact CG1-CG 4.37Å
355P38.9Very low34.6Very low81 Ų81170 Ų17053%0.52681%0.806SS.*  cis-116.1-171.7-7.740.3-27.1000111.4
356Y33.5Very low35.3Very low221 Ų221170 Ų17087%0.86780%0.803SS**  179.7128.5113.7-90.3-61.6000108.8
357D33Very low35.2Very low141 Ų141165.8 Ų165.875%0.75480%0.798SS**  trans-90.6172.9-166-64.6-77.5000114.8
358E30.9Very low35.3Very low159 Ų159160.3 Ų160.374%0.74379%0.786SS**  trans4693.8161.3-64.7-162114.800119.5
359Y33.8Very low35Very low229 Ų229162 Ų16290%0.89879%0.79SS**  trans-128.7131.9136.1-78.9-79000111
360F33.6Very low34.8Very low182 Ų182157.8 Ų157.880%0.79879%0.786SS**  trans-71.5131.6-166.5-115.3-117.6000113.1
361Y33.6Very low34.9Very low220 Ų220158.7 Ų158.786%0.86379%0.79SS**  trans-108.7108.3162.1-87-80.7000109.8K363Y361-K363 PolarHBondContact O-N 3.16Å
362P37.5Very low35Very low105 Ų105158.2 Ų158.268%0.68279%0.789SS**  trans-72.1113.4174.628.7-32.4000110.6
363K35Very low35.1Very low203 Ų203164.1 Ų164.188%0.88380%0.798SS**  trans-99.4107.2162.2-75.9-175.6176.8-179.70108.8Y361Y361-K363 PolarHBondContact O-N 3.16Å
364T36.4Very low35.2Very low126 Ų126160.4 Ų160.477%0.77380%0.797SS**  trans-11999.7175.850.10000110.7
365S33.8Very low35.6Very low117 Ų117158.1 Ų158.182%0.81880%0.796SS**  trans-77.9128.2158.4-61.20000108.4
366P45Very low35.7Very low127 Ų127161.6 Ų161.683%0.82581%0.809SS**  trans-77.1138.8176.931.4-33.6000110.4
367N35.1Very low36Very low141 Ų141158.7 Ų158.775%0.75481%0.807SS**  trans-152.6107.6170.9-159.121.6000112.8
368I35.1Very low36.2Very low136 Ų136157 Ų15770%0.69780%0.804SS**  trans65.8148.3153.2-70.1170.2000119
369E32.9Very low36.5Very low184 Ų184157.2 Ų157.286%0.8681%0.809SS**  trans66.3142.7169.8-81.7166.2151.800118.4
370S33.1Very low36.8Very low113 Ų113155.4 Ų155.479%0.7981%0.806SS**  cis-146.9157.6-2.253.30000111
371R37.9Very low36.8Very low254 Ų254155.5 Ų155.596%0.95881%0.809SS**  trans-115.1136.5170.5-120.7-174.6-176.9-164.11.2109.8
372S36.2Very low36.9Very low105 Ų105151.9 Ų151.973%0.73481%0.81SS**  trans-103.1132.8-164.954.60000114.8
373R36.9Very low36.7Very low244 Ų244152.8 Ų152.892%0.92181%0.814SS**  trans55.7121.1145.5-63.1-179173.8-156-1.8120.4
374S36.3Very low37.1Very low120 Ų120150.1 Ų150.184%0.83981%0.814SS**  trans-142.7140131.850.30000110.1
375P39.7Very low37.2Very low113 Ų113149.1 Ų149.173%0.73481%0.812SS**  trans-111.7-170.1-178.940.2-32000113.7
376I40.5Very low37.5Very low154 Ų154149 Ų14979%0.7981%0.808SS**  trans82.3130.5172.1-57.8162.8000113.9
377L38.9Very low37.9Very low159 Ų159148.4 Ų148.483%0.83281%0.805SS**  cis-155.4161.2-15.5-101.9174.5000108.3
378P38.2Very low38.2Very low106 Ų106147.8 Ų147.869%0.68881%0.806SS**  trans-108.2166.1-173.740.4-34.1000116
379L37.2Very low38.6Very low163 Ų163146.6 Ų146.685%0.85381%0.81SS**  trans144.5143.3163.2-82.5158.8000107.9
380K40.9Very low38.9Very low191 Ų191148.1 Ų148.183%0.8381%0.809SS**  cis-141.7171.313-113.2171-176.3176.30111
381Q32.7Very low39.2Very low184 Ų184148.4 Ų148.486%0.8681%0.81SS**  trans-87.5154.1-179.3-54.9146.8-6500113.6
382T36Very low39.2Very low144 Ų144142.6 Ų142.688%0.88380%0.798SS**  trans-145.7148.4143.6-59.40000109.7
383T32.6Very low39.4Very low125 Ų125141.4 Ų141.477%0.76779%0.79SS**  trans-92.3159.8-173.349.70000115.2
384V42.8Very low39.5Very low147 Ų147136.3 Ų136.389%0.89178%0.781SS**  -168.3161.8129.8140.80000109.9
385S38.6Very low39.5Very low104 Ų104141.8 Ų141.873%0.72778%0.783SS**  trans-117.7164.9-157.251.60000116.8
386P41Very low39.5Very low114 Ų114141.9 Ų141.974%0.7478%0.781SS**  trans-108.2163.3-179.740.6-34.6000116.1
387P52.4Low39.4Very low115 Ų115140 Ų14075%0.74778%0.777SS**  trans-102.6152.8158.637.1-29.6000112
388T41.6Very low39.5Very low128 Ų128141.1 Ų141.179%0.78578%0.778SS**  cis96.797.616.869.80000118.4
389S44.8Very low39.3Very low112 Ų112142.9 Ų142.978%0.78378%0.781SS**  trans-174.6131148.4340000109.6
390Y38.2Very low39.4Very low215 Ų215141.3 Ų141.384%0.84378%0.78SS**  62.6132.279.9-95.5-69.7000113.5
391C40.3Very low39Very low119 Ų119139.3 Ų139.380%0.80478%0.778SS**  cis-144.9-174.814.5-57.70000110
392D37.3Very low39.1Very low133 Ų133135 Ų13571%0.71177%0.768SS**  cis-173.5171.1-46.1-179.236.1000109
393S39.8Very low39.2Very low80 Ų80137.3 Ų137.356%0.55977%0.766SS**  trans83.895.6153.9-81.80000123.6
394N38.8Very low39.4Very low136 Ų136138.9 Ų138.973%0.72776%0.764SS**  64.5107.9110.4-64.1-49000123.1
395R36.7Very low38.9Very low236 Ų236138.8 Ų138.889%0.89176%0.758SS**  -169.5128.9114.6-97.1-168.3165.7177.6-4.8109.3
396V40.5Very low38.7Very low115 Ų115141.8 Ų141.870%0.69777%0.766SS**  72119.864.7167.90000111.7
397T38.6Very low38.2Very low114 Ų114143.3 Ų143.370%0.69977%0.766SS**  cis-165.6161.11.319.80000112.7
398H39.8Very low37.6Very low183 Ų183144.4 Ų144.485%0.84777%0.771SS**  trans69.9122.2146.1-96.7-88.9000124.3
399L35.1Very low37Very low143 Ų143143 Ų14375%0.74977%0.766SS**  trans-64.6158.3144.2-86101.9000111.3
400P39.1Very low36.6Very low130 Ų130149.7 Ų149.784%0.84477%0.774SS**  -154.5-173.378.643.3-22000118.7
401L33Very low36.3Very low149 Ų149148.5 Ų148.578%0.7878%0.777SS**  trans-76.9155.2-174.1-131.370.6000115.1
402S33.3Very low36.2Very low94 Ų94145.9 Ų145.966%0.65777%0.769SS**  trans64.8127.5148.7-54.30000120.7
403K38.9Very low36.2Very low191 Ų191146.3 Ų146.383%0.8377%0.772SS**  173.6144.2109.2-91.3163.1-176.5177.70114.1
404H36.8Very low36.2Very low159 Ų159150.5 Ų150.574%0.73678%0.782SS**  trans45120.1146.5-73.7-111.5000122.5
405L32.9Very low36Very low144 Ų144150.2 Ų150.275%0.75479%0.786SS**  28.4125.1121.1-62.1169.3000119
406N33.7Very low36.3Very low167 Ų167144.3 Ų144.389%0.89378%0.778SS**  -155.7163.4117.1-118.8-24.1000114
407I30.9Very low36.2Very low147 Ų147143.2 Ų143.275%0.75478%0.781SS**  trans-107135.4-175.7-62.4164.2000109.9
408T38.8Very low36.1Very low137 Ų137145.7 Ų145.784%0.8479%0.788SS**  trans-146.5125.7151.846.30000110.7
409S30.5Very low36.1Very low98 Ų98141 Ų14169%0.68578%0.781SS**  trans-85.1145.3174.449.40000112.3
410W35.3Very low36.2Very low253 Ų253141 Ų14196%0.95878%0.782SS**  trans-131.9118.4154.6-90.668000108.8
411E31.8Very low36.2Very low191 Ų191139.8 Ų139.889%0.89378%0.776SS**  trans-86.2162171.7-63.9177.2105.100110.5
412G39.3Very low36.5Very low63 Ų63137.5 Ų137.565%0.64977%0.773SS**  trans-177.364.5-179.500000118.4
413N37.3Very low37.1Very low142 Ų142144.4 Ų144.476%0.75979%0.785SS**  trans65.7155.9153.7-56.8-46.2000118.1
414Q38.7Very low37.2Very low168 Ų168139.4 Ų139.479%0.78577%0.772SS**  cis-153.1159.6-19.5-114163.442.800109.3
415T34.7Very low37.1Very low130 Ų130138.6 Ų138.680%0.79877%0.773SS**  trans-104.1-169.4176.854.60000110.3
416P42.5Very low37.3Very low113 Ų113139.9 Ų139.973%0.73478%0.775SS**  cis-134-170.6-20.825.4-1.4000114.1
417A38.1Very low37.4Very low92 Ų92136.6 Ų136.676%0.7677%0.765SS**  trans72.6169151.500000117.2
418I36.9Very low37.7Very low166 Ų166137.1 Ų137.185%0.85176%0.764SS**  cis-129.4174.213.4-70.1173.6000111.2
419A41.2Very low37.6Very low83 Ų83137.1 Ų137.169%0.68676%0.758SS**  trans-55.7-174.3175.500000115.6
420D36.6Very low37.7Very low145 Ų145141.1 Ų141.178%0.77576%0.759SS**  cis-164.7166.121.4-151.5-19.4000113.5
421S38.8Very low37.8Very low103 Ų103134 Ų13472%0.7274%0.74SS**  trans62.8156.4159.374.50000118.5
422S39.2Very low37.9Very low102 Ų102131.3 Ų131.371%0.71373%0.732SS**  cis-159.7122-2146.50000107.8
423R45.2Very low37.7Very low239 Ų239132 Ų13290%0.90273%0.727SS**  83.7162.993.5-118.8-161.9-179.9-162.51.4113.6
424P42.6Very low37.6Very low86 Ų86134.3 Ų134.356%0.55873%0.731SS**  -135-169.3-96.746.8-31.9000115.8
425N33.5Very low37.4Very low141 Ų141132.1 Ų132.175%0.75472%0.724SS**  trans10.3149.2141-49-8.7000119.6
426Q38Very low37.5Very low172 Ų172132.5 Ų132.580%0.80472%0.72SS**  -171.6163.5105.6-103.3167.129.700115.2
427S35.5Very low37.1Very low97 Ų97132.2 Ų132.268%0.67872%0.721SS**  trans64.8143.3146.456.20000122.2
428E37.7Very low36.9Very low158 Ų158132.4 Ų132.474%0.73872%0.717SS**  cis-166.3155.8-12-111.2171.2-162.100109.8
429L35.2Very low36.8Very low137 Ų137131.2 Ų131.272%0.71772%0.718SS**  trans48.3152.1141.7-51.6168.1000120
430Y33.6Very low36.3Very low182 Ų182132.5 Ų132.571%0.71472%0.722SS**  cis-157.1147.513.7-149.1-140.6000110.6
431N36.4Very low36.6Very low103 Ų103130.6 Ų130.655%0.55172%0.717SS**  17.8148.4128.9-59-1.4000119.4
432N34.7Very low36.4Very low135 Ų135130.9 Ų130.972%0.72272%0.719SS**  cis-172.6175.18.7-103.92000107.1
433S34.6Very low36.1Very low77 Ų77132.3 Ų132.354%0.53872%0.719SS.*  cis-171.7-176.1-13.4-90.30000108
434F36.2Very low35.5Very low192 Ų192130.3 Ų130.384%0.84271%0.711SS**  trans72.5140.5166.7-64.5-81.8000117.2
435N33.7Very low34.9Very low122 Ų122133.5 Ų133.565%0.65272%0.719SS**  cis-162.2165.7-21.5-147.50.7000112.7
436L36.1Very low34.8Very low137 Ų137134 Ų13472%0.71772%0.72SS**  trans64.4128.3151.9-72.7159.8000123.1
437S34.3Very low34.6Very low107 Ų107133.1 Ų133.175%0.74872%0.721SS**  trans66.1145.5143.359.10000121.6
438S35Very low34.3Very low97 Ų97134.2 Ų134.268%0.67873%0.728SS**  cis-168.3142-2048.80000112.9
439T35.4Very low34.1Very low141 Ų141130.4 Ų130.487%0.86573%0.731SS**  trans61.1130.3150.946.40000122.6
440S30Very low33.8Very low110 Ų110129 Ų12977%0.76973%0.733SS**  trans-91.1-150159.553.70000108.9
441P42.9Very low33.8Very low104 Ų104130.8 Ų130.868%0.67574%0.74SS**  cis-143.3-167.8-3.541.1-19.6000116.5
442S34.3Very low33.5Very low110 Ų110131.4 Ų131.477%0.76974%0.744SS**  trans75.6172.8144.9-69.10000120.7
443N32.6Very low33.5Very low131 Ų131134.5 Ų134.570%0.70175%0.745SS**  cis-176.5141.7-49.5-158.9-8000107.7
444R32.7Very low33.4Very low198 Ų198136.6 Ų136.675%0.74775%0.75SS**  trans34.9125.1161.2-79.7178.7-175-1362.2122.2
445Q31Very low33.3Very low152 Ų152134.9 Ų134.971%0.7175%0.749SS**  95132.7124.3-83-176-6.600123.2
446L30.7Very low33.2Very low151 Ų151133.5 Ų133.579%0.79175%0.749SS**  trans88.7153.9148-70164.8000121.2
447L34.4Very low33Very low155 Ų155132.2 Ų132.281%0.81275%0.752SS**  trans7796.8168.8-66.6130.7000119.3
448S28.5Very low32.9Very low119 Ų119133.3 Ų133.383%0.83276%0.758SS**  trans-21.2140146.252.20000118.7
449G33.1Very low32.7Very low78 Ų78133.3 Ų133.380%0.80476%0.758SS**  trans-174.3129.6159.500000111.5
450S29.9Very low32.7Very low109 Ų109133 Ų13376%0.76275%0.751SS**  trans-110.2173.2178.2-61.70000111.7
451Y32.4Very low32.9Very low219 Ų219135 Ų13586%0.85975%0.752SS**  trans103.495.8165.9-64-75.2000119.1
452D31.4Very low32.6Very low116 Ų116139.2 Ų139.262%0.6276%0.76SS**  66.7121.9113.9-11125.9000122.5
453R34.8Very low32.4Very low199 Ų199139.5 Ų139.575%0.75176%0.761SS**  100.4132.9125.1-102.1-170.1-93.8-165.5-7.6123.5
454N32.5Very low32.5Very low121 Ų121141.6 Ų141.665%0.64776%0.763SS**  trans97.5119.6138.9-69.3-12.3000121.8
455L33.2Very low32.8Very low156 Ų156137.6 Ų137.682%0.81776%0.757SS**  trans50.8144.9131.2-78.981.1000119.9
456S32.6Very low32.9Very low94 Ų94137.8 Ų137.866%0.65776%0.763SS**  cis-172.9170.41338.50000111.9
457S31.7Very low33.4Very low110 Ų110135.7 Ų135.777%0.76976%0.758SS**  trans64.6145.8163.258.70000117
458C31.4Very low33.2Very low130 Ų130137.9 Ų137.988%0.87876%0.757SS**  cis-137.1175.332.7-71.80000114.4
459S31.9Very low33.4Very low96 Ų96138.4 Ų138.467%0.67176%0.755SS**  trans-120.6159.6-177.257.90000113.2
460N34.2Very low33.2Very low136 Ų136139.9 Ų139.973%0.72775%0.749SS**  161.4135.2125-82.7-18.8000115.7
461L35.9Very low33.3Very low150 Ų150142.5 Ų142.579%0.78575%0.753SS**  trans64.3142.6143.9-60.2166.2000119.9
462K35.3Very low33.1Very low193 Ų193138 Ų13884%0.83974%0.743SS**  cis-159.6158.2-16-171.6164.1-178.7174.60109.8
463C30.5Very low33Very low117 Ų117142.8 Ų142.879%0.79175%0.752SS**  trans-97.4171.3-167.4-42.50000115.7
464K35.2Very low32.7Very low175 Ų175139.8 Ų139.876%0.76175%0.751SS**  trans-141.2115.8147.4-84.7-163.1149.4-111.50109.3
465D37.6Very low32.5Very low114 Ų114139.2 Ų139.261%0.6175%0.752SS**  89.776.5102.7-58-12.7000110.1
466D33.7Very low32.6Very low156 Ų156139.5 Ų139.583%0.83475%0.749SS**  73.3156.778.8-89.3-3.5000116
467P41Very low32.5Very low107 Ų107141.6 Ų141.670%0.69575%0.753SS**  cis-127.3-149.2-19.237-15.9000109.7
468Y31.4Very low32.5Very low200 Ų200141.5 Ų141.578%0.78475%0.752SS**  cis-156.7127.7-7.6-150-63.6000108.8
469V31Very low32.3Very low131 Ų131139.8 Ų139.879%0.79474%0.742SS**  trans-147.2132.1169.2168.10000111.5
470T30.1Very low32.4Very low109 Ų109143.1 Ų143.167%0.66975%0.746SS**  trans58.7123.5163.5-59.10000120.1
471L30.9Very low32.2Very low164 Ų164142.6 Ų142.686%0.85974%0.744SS**  trans-137.3134.4141.1-84.6178.5000109.9
472I29.9Very low32Very low125 Ų125141.2 Ų141.264%0.64174%0.737SS**  trans-144.5135.4174-82.4-176.5000107.8
473R28.1Very low31.7Very low216 Ų216139.4 Ų139.482%0.81573%0.731SS**  trans72.7146.9-175.1-61.1167.2-152.9118.53.3112.4
474D29Very low31.5Very low135 Ų135139.3 Ų139.372%0.72273%0.727SS**  cis-146.6150.543.7-109.1-40000118.1
475T29Very low31.2Very low110 Ų110136.4 Ų136.468%0.67573%0.728SS**  trans56.1129.4150.164.90000122.9
476Q34.2Very low30.8Very low161 Ų161136 Ų13675%0.75273%0.734SS**  154.8115.7109.1-78.1-1513200114.8
477N30.4Very low30.8Very low138 Ų138133.7 Ų133.774%0.73873%0.731SS**  trans64137.6131.1-58.7-27.3000124.3
478S31.1Very low30.5Very low108 Ų108135 Ų13576%0.75574%0.737SS**  trans69.8100151.5-162.20000117.7
479S28.3Very low30.8Very low95 Ų95130.8 Ų130.866%0.66473%0.734SS**  88.8133.760.5-68.50000114.2
480H33.9Very low30.7Very low165 Ų165129.4 Ų129.476%0.76473%0.731SS**  trans69.6145.8174.7-56-62.7000115.7
481N30.7Very low30.9Very low125 Ų125132.2 Ų132.267%0.66874%0.738SS**  cis-154.8-175.3-7.6-115.3-1.1000110.8
482L30.1Very low31.1Very low122 Ų122130.6 Ų130.664%0.63973%0.726SS**  trans-25.3157.6162.8-64.278.2000116.2
483Q30.2Very low31.2Very low155 Ų155131.2 Ų131.272%0.72473%0.726SS**  cis-166.3144.533.5-139.1143.6-19.700113.7
484T25.3Very low31.2Very low115 Ų115131.2 Ų131.271%0.70673%0.726SS**  trans28.1155.2142.662.30000124.6
485S30.1Very low31.2Very low113 Ų113131.8 Ų131.879%0.7972%0.723SS**  trans79.7146.9153.279.20000117.1
486S29.3Very low31.1Very low105 Ų105130.7 Ų130.773%0.73472%0.719SS**  cis-167.4-169.7-15.946.60000110.9
487S33.8Very low31Very low109 Ų109131.4 Ų131.476%0.76272%0.722SS**  trans65.2102.3163.654.50000119.6
488T33.9Very low31.1Very low133 Ų133133.6 Ų133.682%0.81673%0.726SS**  trans-79.8157.4131.550.10000109.5
489P37.3Very low31.1Very low113 Ų113133.7 Ų133.773%0.73472%0.724SS**  -12714895.34.518.3000111.4
490S29.7Very low31.1Very low102 Ų102135.3 Ų135.371%0.71373%0.729SS**  84.6158.755.890.50000114.4
491M33.5Very low31Very low168 Ų168135 Ų13583%0.82873%0.732SS**  trans78.1128.4-163.7-46.9-85.7-78.700112.6
492Q35.4Very low30.9Very low129 Ų129136.7 Ų136.760%0.60374%0.735SS**  cis-153.3150.7-8.3-164.466.80.900110.4
493E30.9Very low30.8Very low138 Ų138138.6 Ų138.665%0.64574%0.741SS**  trans12.4130.7162.3-63.7160.6133.600120.3F495E493-F495 HydrophobicContact CG-CE2 4.49Å
494R28.7Very low30.7Very low216 Ų216135.1 Ų135.182%0.81573%0.734SS**  57.4142.358.7-56.5-172.1-177.5-175.12.5112.2
495F30.5Very low31Very low148 Ų148137.5 Ų137.565%0.64974%0.74SS**  cis-153150.339.2-85.6-86.4000110.1E493E493-F495 HydrophobicContact CG-CE2 4.49Å
496S26.9Very low31Very low87 Ų87136.3 Ų136.361%0.60874%0.738SS**  51.6145.393.6101.30000115.7
497H30.5Very low31.2Very low175 Ų175136.8 Ų136.881%0.8174%0.741SS**  cis-162.7164.535.5-13095.8000111.2
498F33.3Very low31.4Very low185 Ų185138.2 Ų138.281%0.81174%0.739SS**  trans-70.6154151.6-97.1-96.1000109
499P31.1Very low31.5Very low110 Ų110138.1 Ų138.171%0.71473%0.734SS**  -146.8165.9111.337.1-22.3000115.4
500V27.7Very low31.2Very low129 Ų129138.3 Ų138.378%0.78274%0.738SS**  trans-63.4143.5165.21740000110.5
501I32.5Very low31.1Very low159 Ų159139.9 Ų139.982%0.81575%0.747SS**  trans-120.5130157.3-58.5-179.9000107.5
502H27.4Very low31.1Very low160 Ų160141.1 Ų141.174%0.74175%0.748SS**  trans-109.6170.2175.5-170.8-93.9000108.3
503E28.9Very low31Very low161 Ų161143.2 Ų143.275%0.75276%0.762SS**  trans70.4154176-61.3-142.984.700116.7
504S27.8Very low31.1Very low83 Ų83144.5 Ų144.558%0.5877%0.767SS**  cis-168.5-168.2-20.1-96.40000107.8
505I31.7Very low31.2Very low164 Ų164142.9 Ų142.984%0.84177%0.769SS**  trans78.496.3168.2-47.6164.4000113.1
506A31.2Very low31.4Very low89 Ų89144.6 Ų144.674%0.73678%0.779SS**  cis93106.739.400000115
507S32.9Very low31.6Very low114 Ų114146 Ų14680%0.79779%0.787SS**  trans-177137.4164.4-85.40000107.9
508L38.2Very low31.8Very low140 Ų140143.7 Ų143.773%0.73379%0.787SS**  cis-150.11510.6-94.9151.7000110.8
509N35.2Very low31.9Very low131 Ų131144.2 Ų144.270%0.70179%0.792SS**  trans60.295.6147.3-60.3-14000122.2
510S30.3Very low31.7Very low117 Ų117147.6 Ų147.682%0.81880%0.798SS**  55.2107.2115.6-57.90000121.4
511C29.3Very low31.8Very low135 Ų135148.5 Ų148.591%0.91280%0.798SS**  -146.9133.7120.7-145.30000111.1
512K31.9Very low31.8Very low194 Ų194148 Ų14884%0.84379%0.792SS**  trans-117128.7178-74.3179.1175.7178.20109.7
513I35Very low32.1Very low173 Ų173147.4 Ų147.489%0.88779%0.794SS**  trans-134.1139.2143.9-64.5-171.1000109.5
514Q32.5Very low32.6Very low164 Ų164144.4 Ų144.477%0.76679%0.788SS**  trans-50.1145.9-171.6-144.672.8-1.200117.1
515Q31.1Very low33.4Very low183 Ų183146.2 Ų146.286%0.85580%0.799SS**  trans-90.2152.1155.9-65.1176-7.400110.8
516Q33.6Very low33.4Very low183 Ų183144.7 Ų144.786%0.85579%0.792SS**  trans-138.5147153-81.4-165.7-18.200111.4
517P31.3Very low33.4Very low118 Ų118147.7 Ų147.777%0.76679%0.794SS**  trans-85.6168.3-174.135.9-37.1000113.4
518P34.2Very low33.3Very low125 Ų125148.4 Ų148.481%0.81279%0.788SS**  trans-82155.1-164.932.7-37.3000114.8
519Q35.4Very low32.8Very low196 Ų196148.2 Ų148.292%0.91679%0.788SS**  trans-131.6151.1160-69.3-160.8-6.900111.2
520Q26.8Very low32.6Very low182 Ų182148 Ų14885%0.8579%0.787SS**  trans-91.5146.6179.8-54.6172.8-400110.3
521L31.4Very low32.6Very low148 Ų148149.5 Ų149.578%0.77578%0.781SS**  trans-167.8139.4132.7-129.360.2000115.5
522Q32.5Very low32.7Very low149 Ų149151 Ų15170%0.69678%0.777SS**  trans63.798.7143-86.9162.9-15.400123.9
523N32.3Very low32.5Very low147 Ų147147.6 Ų147.679%0.78678%0.776SS**  83.8138.2118.4-66.210.3000122.1
524P40.5Very low32.2Very low97 Ų97145 Ų14563%0.6377%0.768SS**  trans-112.8178.7176.644.1-36.2000114.2
525P44.2Very low31.9Very low122 Ų122142.5 Ų142.579%0.79277%0.768SS**  trans-101.1128.2138.133.7-24.9000109.5
526N30.7Very low31.7Very low132 Ų132140.6 Ų140.671%0.70676%0.764SS**  cis61.8113.848.7-76-0.2000115.8
527I31.2Very low31.6Very low151 Ų151142.4 Ų142.477%0.77477%0.77SS**  trans153.898.9141.5-81.4159.5000106.9
528L31.6Very low31.3Very low130 Ų130141.8 Ų141.868%0.68177%0.768SS**  63.6127.489.8-83.374.7000111.8
529D28.6Very low31.5Very low136 Ų136140.2 Ų140.273%0.72776%0.757SS**  cis-149.3-161.4-7-77.9-47.5000106.9
530D29.9Very low31.2Very low126 Ų126139.4 Ų139.467%0.67475%0.751SS**  cis-161166.911.1-156.74.1000112.4
531E31.5Very low31.4Very low148 Ų148137.6 Ų137.669%0.69274%0.743SS**  trans37.3136.5161.6-62.3-121.69900124.7
532M30.6Very low31.4Very low168 Ų168138.2 Ų138.283%0.82874%0.739SS**  trans-117153.8162.5-52.1172.6-73.300110.2
533C28Very low31.1Very low122 Ų122137.9 Ų137.982%0.82474%0.739SS**  trans177139.9136.9-92.40000109.6
534V27.5Very low31Very low119 Ų119134.9 Ų134.972%0.72173%0.73SS**  cis87.296.832.6-178.50000114.6
535S28Very low30.4Very low111 Ų111136.6 Ų136.678%0.77673%0.734SS**  trans176.9127.4136.835.20000108.2
536N26.9Very low29.7Very low143 Ų143137 Ų13777%0.76573%0.734SS**  64.79258.9-72.6-16.9000114.4
537F30.2Very low29.8Very low221 Ų221138 Ų13897%0.96974%0.739SS**  trans-146.9142134.8-104.2-71.9000111.3
538S25.9Very low29.7Very low104 Ų104137 Ų13773%0.72774%0.735SS**  trans-166.9163.6-176.9-176.70000107.8
539P38.1Very low29.7Very low92 Ų92137.4 Ų137.460%0.59774%0.738SS**  -109.7-173.3-53.437.4-25.8000109.6
540F29.3Very low29.9Very low180 Ų180136.7 Ų136.779%0.78974%0.738SS**  159.8155.5125-93.9-65.1000115.3
541H30.8Very low30.1Very low144 Ų144137.2 Ų137.267%0.66774%0.74SS**  trans67.4123.1148.4-94.2-89.6000123.5
542F31Very low30.3Very low161 Ų161136.5 Ų136.571%0.70674%0.741SS**  trans76.3102.9136.4-96.8-138.1000122
543M27.3Very low30.6Very low141 Ų141134.7 Ų134.770%0.69573%0.734SS**  50.1122.9110.2-67.8-174.26700120.5
544S28.5Very low30.9Very low85 Ų85135.7 Ų135.759%0.59473%0.732SS**  trans83.9116.1132-73.10000120.7
545N28.8Very low31.3Very low133 Ų133134.8 Ų134.871%0.71173%0.73SS**  trans83.9109131.1-59.63.5000119.7
546T30.2Very low31.7Very low129 Ų129134 Ų13479%0.79173%0.725SS**  78154.4129.356.30000120.9
547L31.9Very low32.1Very low154 Ų154134.9 Ų134.981%0.80673%0.728SS**  trans79.9117.4167.1-71.5163.9000118.3
548N28.5Very low32.3Very low131 Ų131128.7 Ų128.770%0.70171%0.712SS**  trans-32.4156.3144.4-36.2-24.3000111.6
549D31.9Very low32.7Very low137 Ų137128 Ų12873%0.73371%0.707SS**  -173.1161.174.5-114.7-27000115.8
550V33.2Very low32.4Very low122 Ų122130.3 Ų130.374%0.73972%0.715SS**  trans76.9154.6143.3166.70000120.4
551I35Very low32.4Very low136 Ų136127.4 Ų127.470%0.69771%0.712SS**  trans88.786.7175.6-43.7-162000118.1
552N35Very low32.7Very low134 Ų134129.2 Ų129.272%0.71772%0.721SS**  54.3139.2121-50.7-8.5000119.8
553N36.6Very low32.5Very low129 Ų129128.7 Ų128.769%0.6973%0.725SS**  cis-168.6158.439.1-123.7-16.4000112.3
554N34.8Very low32.9Very low144 Ų144128.5 Ų128.577%0.7773%0.726SS**  trans64.7141.4159.7-55.7-21.4000119.1
555S36.6Very low33.3Very low99 Ų99130.4 Ų130.469%0.69273%0.73SS**  cis-165.5148.6-13.647.60000112.6
556S34.7Very low33.6Very low95 Ų95129.6 Ų129.666%0.66473%0.725SS**  trans62.6118147.159.40000122.9
557I35.3Very low33.8Very low162 Ų162128.9 Ų128.983%0.83172%0.717SS**  82.1134.3123.6-68.9172.8000118.3
558S34.1Very low33.9Very low90 Ų90126.7 Ų126.763%0.62971%0.71SS**  cis-165.9128-16.658.20000110.6
559S34.6Very low34.4Very low91 Ų91126.5 Ų126.564%0.63671%0.709SS**  87.6145.3106.271.50000118.7
560N32.7Very low34.6Very low140 Ų140126.7 Ų126.775%0.74971%0.71SS**  trans73.4111.7167.7-51.4-12.7000115.5
561T30.2Very low34.6Very low119 Ų119127 Ų12773%0.7371%0.708SS**  cis78.3101.328.183.60000117
562Q35.3Very low34.7Very low182 Ų182127.6 Ų127.685%0.8571%0.707SS**  171.5118.6129.6-91.4165.818.500106
563N27.9Very low34.5Very low149 Ų149128.4 Ų128.480%0.79771%0.712SS**  cis77.914548.2-163.322.9000112.8
564L35.6Very low34.5Very low138 Ų138134.2 Ų134.272%0.72372%0.724SS**  trans96.6135-179.7-62.5165.8000117.9
565N35.8Very low34.2Very low125 Ų125132.6 Ų132.667%0.66872%0.724SS**  trans68.4145.1153.9-63.430.6000118.9
566D35.7Very low34.4Very low115 Ų115133 Ų13362%0.61572%0.724SS**  cis-159.9158.5-9.5-114.3-25.3000113.7
567N35.3Very low34.3Very low115 Ų115136.3 Ų136.362%0.61573%0.726SS**  trans29.8106.2142.1-60.1-38.9000120.3
568T34.4Very low34.2Very low108 Ų108136.8 Ų136.866%0.66372%0.723SS**  96.4161.187.463.70000115.8
569N37.4Very low34.2Very low126 Ų126137 Ų13767%0.67472%0.72SS**  trans75.8129.5157.3-67.3-40.3000116.8
570N35.7Very low34.2Very low142 Ų142140.7 Ų140.776%0.75973%0.727SS**  69.4131.857.9-64.7-36.4000111.6
571N33.5Very low34.3Very low129 Ų129139.9 Ų139.969%0.6973%0.727SS**  cis-162.9-168.9-9.7-164.813.1000108.2
572E37Very low34.4Very low147 Ų147139.3 Ų139.369%0.68772%0.724SS**  trans64.6104.5149.1-78.3157.7-12500121.2
573N31.4Very low34.3Very low152 Ų152136 Ų13681%0.81372%0.716SS**  29.2108.3116.3-61.1-34.4000119.3
574R36.5Very low34.7Very low251 Ų251134.8 Ų134.895%0.94771%0.71SS**  -163.2124.3128.3-110.3164.2-167.1-168.94.5114
575S29.4Very low34.6Very low109 Ų109135.3 Ų135.376%0.76271%0.713SS**  trans-86.4-177.4152.6-38.80000108.7
576P40.1Very low34.5Very low107 Ų107132.4 Ų132.470%0.69571%0.713SS**  cis-142.5176.70.142-23.8000117.2
577K32.8Very low34.4Very low166 Ų166133.8 Ų133.872%0.72272%0.72SS**  trans68.7149.5137.5-89169.8169-178.40122.3
578F32.2Very low34.2Very low171 Ų171134.8 Ų134.875%0.7573%0.725SS**  trans70.3149.3150-69.7-40.2000117.7
579T34Very low34.1Very low94 Ų94135 Ų13558%0.57773%0.731SS**  cis-158.5143.90.43.70000111
580H35.4Very low33.9Very low170 Ų170133.2 Ų133.279%0.78773%0.729SS**  trans58.2171.8152.7-59.7-44.8000116.9
581T34Very low33.7Very low122 Ų122132.1 Ų132.175%0.74872%0.723SS**  cis-164.4155.3-5.811.30000103.7
582T32.7Very low33.9Very low108 Ų108134.3 Ų134.366%0.66373%0.726SS**  cis170.3166.8-2.6-91.60000106.3
583T33.5Very low33.8Very low111 Ų111132.7 Ų132.768%0.68172%0.723SS**  trans67.8117.8162.3420000122.6
584N35.8Very low34.2Very low125 Ų125131.6 Ų131.667%0.66872%0.717SS**  97.7109.8119-69.9-0.1000123.4
585N34Very low34.3Very low149 Ų149124.1 Ų124.180%0.79770%0.703SS**  57.1114.9117.5-52.1-9.7000120.4
586G33.2Very low34.9Very low64 Ų64125.3 Ų125.366%0.6670%0.699SS**  134.4137.690.700000118.8
587N34.1Very low34.8Very low144 Ų144126.4 Ų126.477%0.7770%0.699SS**  trans72.9106.6142.8-57.7-11.8000120.8
588N31.5Very low35.1Very low135 Ų135126.1 Ų126.172%0.72271%0.705SS**  67.5130.2117.7-55.9-14.3000121.6
589S32.1Very low35.1Very low112 Ų112124.8 Ų124.878%0.78371%0.706SS**  trans73.4156.4138.781.30000117.5
590S32.6Very low35.5Very low89 Ų89125.6 Ų125.662%0.62271%0.713SS**  cis-169.8173.9-25.852.20000110.1
591N33.1Very low35.3Very low119 Ų119123 Ų12364%0.63671%0.71SS**  trans71.6122149.7-76.7-59.3000120.5
592K36.7Very low35.2Very low175 Ų175124 Ų12476%0.76171%0.708SS**  trans75.7152.9130.5-64.2179.1-176.3178.20117.3
593N34.8Very low35.1Very low114 Ų114124.4 Ų124.461%0.6171%0.711SS**  cis-157.81674.9-133.436.5000111.7
594D39.5Very low35Very low129 Ų129124.8 Ų124.869%0.6972%0.718SS**  trans66.2149.4151.8-56.9-34.6000119.7
595S38.7Very low34.7Very low93 Ų93122.4 Ų122.465%0.6572%0.724SS**  cis-162.3156.5-4.9-121.60000114.9
596I42.1Very low34.4Very low135 Ų135122.9 Ų122.969%0.69273%0.731SS**  trans75.6112.5142.4-68.3164.9000122.4
597N37.6Very low34.2Very low129 Ų129123.2 Ų123.269%0.6974%0.735SS**  trans47.6126.4137-52-3.7000121.5
598N39.7Very low34Very low160 Ų160122.1 Ų122.186%0.85674%0.738SS**  -161.9165.958-89.7-62.9000113.3
599N33.1Very low33.9Very low144 Ų144123.6 Ų123.677%0.7775%0.745SS**  trans-126153.9178.9-138.6-13.4000109.1
600P42.3Very low33.7Very low111 Ų111123.6 Ų123.672%0.72174%0.742SS**  -145.3149.982.932.5-13000117.4
601T30.9Very low33.5Very low116 Ų116123.7 Ų123.771%0.71274%0.743SS**  trans23.2134.6131.10.20000118.7
602I31.1Very low33.1Very low141 Ų141125 Ų12572%0.72375%0.75SS**  cis-147.9140.838.4-61.4176.1000112.3
603T30.8Very low32.7Very low117 Ų117125.9 Ų125.972%0.71876%0.756SS**  trans46.3112.4165.1580000122
604S31.6Very low32.3Very low119 Ų119131.8 Ų131.883%0.83277%0.77SS**  20.8142.9127.959.70000121.6
605G29.3Very low31.7Very low76 Ų76131 Ų13178%0.78477%0.774SS**  cis167.8127.91.900000113.7
606V28.3Very low31.3Very low158 Ų158135.8 Ų135.896%0.95878%0.784SS**  trans-57.9151.4177.2-770000114.6
607G27.6Very low30.7Very low71 Ų71138.7 Ų138.773%0.73279%0.792SS**  trans-158.723-170.600000120.3
608S29.8Very low30.3Very low121 Ų121137.2 Ų137.285%0.84679%0.789SS**  trans67.6143.1160.9-59.20000121.5
609I29.7Very low29.9Very low166 Ų166136.8 Ų136.885%0.85179%0.787SS**  trans-80.4137177.1-66.1157.2000110.7
610P29.5Very low29.5Very low113 Ų113138 Ų13873%0.73479%0.788SS**  -139.6141.8124.635.6-22.6000115.8
611S27.3Very low28.7Very low91 Ų91141.7 Ų141.764%0.63679%0.793SS**  trans-7.6140159.159.70000122
612N25.4Very low28.6Very low145 Ų145144.3 Ų144.378%0.77580%0.801SS**  trans48.1106.6135.3-60.8-27.3000119.5
613Q27.6Very low28.4Very low194 Ų194144.7 Ų144.791%0.90780%0.8SS**  -175.3138.592-96.4-176.161.800114.2S615Q613-S615 PolarHBondContact O-N 3.33Å
614R26.5Very low28.3Very low239 Ų239144.4 Ų144.490%0.90280%0.802SS**  trans-40.5124.5169.1168.9-166.1-86.4-164.3-9113.7
615S26.5Very low28.5Very low111 Ų111142.3 Ų142.378%0.77678%0.784SS**  trans-147.9100154.5-168.60000110.9Q613Q613-S615 PolarHBondContact O-N 3.33Å
616F30.4Very low28.7Very low194 Ų194143.4 Ų143.485%0.85178%0.777SS**  trans-107.6122.1161.9-85-92.5000107.1
617K29.2Very low29.1Very low197 Ų197139.6 Ų139.686%0.85776%0.758SS**  trans-95.5135.1152.6-78.1-172.1173.7-173.50107.5
618P29.8Very low29.5Very low97 Ų97139.3 Ų139.363%0.6374%0.743SS**  -124.6-177126.838.8-34.2000111.5
619D30.4Very low29.8Very low152 Ų152137.7 Ų137.781%0.81372%0.722SS**  trans72.8122.9157.4-50.2-34.6000120.3
620Q26.1Very low30.1Very low168 Ų168133.4 Ų133.479%0.78570%0.701SS**  trans-88.7-179.5164.5-64.1167.6-27.800109
621F24.8Very low30.3Very low190 Ų190130.8 Ų130.883%0.83368%0.68SS**  trans66.5117.1176.5-63.4-91.2000116.6
622I28.7Very low30.6Very low171 Ų171129.5 Ų129.588%0.87767%0.666SS**  -173.6135.5124.6-94154.5000106.8
623E27.6Very low31Very low149 Ų149125.4 Ų125.470%0.69664%0.641SS**  trans-67144.8-174.4-69.4146.18900113.7V625E623-V625 PolarHBondContact O-N 2.97Å
624S28.4Very low31.3Very low111 Ų111120.6 Ų120.678%0.77662%0.621SS**  trans-97.881.3178.155.40000112
625V35.1Very low31.6Very low74 Ų74111 Ų11145%0.44859%0.59SS.*  trans-48.6134.7173.31800000111.3K10 E623K10-V625 PolarHBondContact NZ-O 3.47Å; E623-V625 PolarHBondContact O-N 2.97Å
626P33.1Very low31.9Very low99 Ų99110.1 Ų110.164%0.64358%0.584SS**  trans-64174.1-17524.6-34.8000113.9
627S36.8Very low32.1Very low79 Ų79104.7 Ų104.755%0.55257%0.565SS**  trans-104.2145.4178.7-55.90000110.4E629S627-E629 PolarHBondContact O-N 3.33Å
628P36.9Very low32.3Very low64 Ų64102.3 Ų102.342%0.41656%0.561SS.*  trans-67.7125.8-178.727.9-35.5000111.6F48F48-P628 HydrophobicContact CB-CB 4.43Å; F48-P628 WeakPolarHBondContact O-CB 3.49Å; F48-P628 WeakPolarHBondContact O-CG 3.24Å
629E36.8Very low32.5Very low87 Ų87103.3 Ų103.341%0.40756%0.561SS.*  trans-67.9160.8164.6-68.9-115.6130.900110.9N81 S627N81-E629 WeakPolarHBondContact CB-OE1 3.5Å; N81-E629 PolarHBondContact ND2-OE1 2.69Å; S627-E629 PolarHBondContact O-N 3.33Å
630L34.7Very low32.7Very low76 Ų76102.6 Ų102.640%0.39856%0.557SS.*  trans-139.290.2175.4-67.9178.2000110.5L28 L45 I46 V47L28-L630 HydrophobicContact CD2-CD1 3.75Å; L45-L630 HydrophobicContact CD1-CD2 4.23Å; I46-L630 WeakPolarHBondContact O-CD2 3.4Å; V47-L630 HydrophobicContact CB-CD2 4.15Å; V47-L630 HydrophobicContact CG1-CD2 4.18Å; V47-L630 HydrophobicContact CG2-CD2 3.75Å
631L34.2Very low33Very low59 Ų59100 Ų10031%0.30956%0.557SS.*  trans-69140.2163.1-76.9165.6000109.6K79 F633K79-L631 WeakPolarHBondContact O-CD2 3.27Å; L631-F633 HydrophobicContact CB-CE2 4.07Å; L631-F633 HydrophobicContact CD1-CE2 4.2Å; L631-F633 HydrophobicContact CD1-CZ 4.48Å; L631-F633 HydrophobicContact CD2-CE2 4.3Å; L631-F633 HydrophobicContact CD2-CZ 4.1Å; L631-F633 HydrophobicContact CG-CE2 4.43Å
632L33.2Very low33.6Very low64 Ų6498.2 Ų98.234%0.33556%0.557SS.*  trans-138.8100.7176.5-174.6137000108.5I43 L634I43-L632 HydrophobicContact CG2-CD1 4.43Å; I43-L632 HydrophobicContact CG2-CG 4.3Å; L632-L634 HydrophobicContact CD2-CG 4.35Å
633F35.1Very low33.8Very low58 Ų5896.6 Ų96.625%0.25455%0.55SS..  trans-89.7143.6177.7-69.2-71.1000111.2Y69 P75 E77 L631Y69-F633 HydrophobicContact CD2-CD2 4.12Å; Y69-F633 HydrophobicContact CD2-CE2 4.22Å; Y69-F633 AromaticContact CE2-CD2 3.71Å; Y69-F633 HydrophobicContact CE2-CD2 3.71Å; Y69-F633 HydrophobicContact CE2-CE1 4.42Å; Y69-F633 AromaticContact CE2-CE2 3.36Å; Y69-F633 HydrophobicContact CE2-CE2 3.36Å; Y69-F633 HydrophobicContact CE2-CG 4.37Å; Y69-F633 AromaticContact CE2-CZ 3.76Å; Y69-F633 HydrophobicContact CE2-CZ 3.76Å; Y69-F633 AromaticContact CZ-CE2 3.9Å; P75-F633 HydrophobicContact CB-CE1 3.64Å; P75-F633 HydrophobicContact CB-CZ 4.16Å; E77-F633 WeakPolarHBondContact O-CE1 3.5Å; L631-F633 HydrophobicContact CB-CE2 4.07Å; L631-F633 HydrophobicContact CD1-CE2 4.2Å; L631-F633 HydrophobicContact CD1-CZ 4.48Å; L631-F633 HydrophobicContact CD2-CE2 4.3Å; L631-F633 HydrophobicContact CD2-CZ 4.1Å; L631-F633 HydrophobicContact CG-CE2 4.43Å
634L33.1Very low34Very low94 Ų9497.7 Ų97.749%0.49256%0.56SS.*  trans-119.1106.7174.7-77.7160.2000108.1C41 I43 L632C41-L634 HydrophobicContact CB-CD2 3.7Å; I43-L634 HydrophobicContact CD1-CD2 3.53Å; I43-L634 HydrophobicContact CG1-CD2 3.67Å; L632-L634 HydrophobicContact CD2-CG 4.35Å
635S32.9Very low34.1Very low36 Ų36101 Ų10125%0.25256%0.56SS.*EExtended strand (participates in β ladder)trans-92.2107.4172.4-173.70000108.9C41 E42 R68C41-S635 WeakPolarHBondContact CA-O 3.4Å; E42-S635 PolarHBondContact N-O 3.19Å; E42-S635 PolarHBondContact O-N 2.58Å; R68-S635 PolarHBondContact NH1-OG 3.07Å; R68-S635 VanDerWaalsContact NH1-OG 3.13Å
636S32.8Very low34Very low93 Ų93104 Ų10465%0.6558%0.579SS**EExtended strand (participates in β ladder)trans-91.1128.3177-179.90000110.6
637N34.7Very low33.8Very low81 Ų81106.9 Ų106.943%0.43359%0.589SS.*  trans-112.380.6-161.7-162.712.8000112.6N639N637-N639 VanDerWaalsContact CG-ND2 3.31Å; N637-N639 PolarHBondContact ND2-ND2 3.42Å; N637-N639 PolarHBondContact O-N 3.04Å; N637-N639 PolarHBondContact O-ND2 3Å; N637-N639 PolarHBondContact OD1-ND2 3.27Å
638N34Very low33.6Very low146 Ų146110.3 Ų110.378%0.78161%0.607SS**  trans-84.571.9-167.3-155.82000113.4N640N638-N640 PolarHBondContact O-N 3.08Å; N638-N640 VanDerWaalsContact O-N 3.17Å
639N33Very low33.2Very low119 Ų119111.5 Ų111.564%0.63662%0.622SS**  trans-7696.9-176-75.1-67.2000113.4N637N637-N639 VanDerWaalsContact CG-ND2 3.31Å; N637-N639 PolarHBondContact ND2-ND2 3.42Å; N637-N639 PolarHBondContact O-N 3.04Å; N637-N639 PolarHBondContact O-ND2 3Å; N637-N639 PolarHBondContact OD1-ND2 3.27Å
640N33.9Very low33.1Very low137 Ų137113.7 Ų113.773%0.73364%0.641SS**  trans-12964.4174.4-116.1-29.1000111.9N638 N642N638-N640 PolarHBondContact O-N 3.08Å; N638-N640 VanDerWaalsContact O-N 3.17Å; N640-N642 PolarHBondContact O-N 3.43Å
641S33.4Very low33.1Very low112 Ų112114.3 Ų114.378%0.78366%0.657SS**  trans-91.494177.4-63.10000112
642N38.2Very low33Very low153 Ų153117.1 Ų117.182%0.81868%0.679SS**  trans-78.2144.8169.3-86.6-48000111.9N640N640-N642 PolarHBondContact O-N 3.43Å
643N30.8Very low33.1Very low137 Ų137123.3 Ų123.373%0.73371%0.709SS**  trans-70.6136.8-175.5-80.2-93.5000112.7
644L33.8Very low32.8Very low173 Ų173126.5 Ų126.591%0.90673%0.733SS**  trans-148.1129.7137-144.269.5000110.9
645K29Very low32.8Very low181 Ų181128.1 Ų128.179%0.78775%0.747SS**  trans-114.2124.3176.9-73.5178.2177.8174.40110
646T33.7Very low32.7Very low137 Ų137132.2 Ų132.284%0.8477%0.771SS**  trans-145.8124.8155.141.60000109.5
647N27.8Very low32.5Very low158 Ų158134.5 Ų134.585%0.84578%0.78SS**  trans-94.1137.6175.5-60.5-25.3000110.1
648T32.9Very low32.4Very low152 Ų152136.2 Ų136.293%0.93380%0.799SS**  trans-161.3151.5139.316.50000109.3
649A30.1Very low32.1Very low89 Ų89136.8 Ų136.874%0.73680%0.802SS**  trans-111.2162.9-175.400000112.2
650T33.5Very low32.1Very low132 Ų132139.3 Ų139.381%0.8181%0.814SS**  162.3128.3119.3-67.60000112.5
651A34.7Very low32.2Very low89 Ų89137 Ų13774%0.73681%0.814SS**  trans53.5135.6157.500000121.8
652P32.4Very low32.1Very low119 Ų119139.8 Ų139.877%0.77382%0.815SS**  trans-96.4152.416837.6-32.4000113.2
653M34.7Very low32Very low193 Ų193137.3 Ų137.395%0.95181%0.807SS**  trans-141.2143.8157.5-85.1-64.2170.100109.8
654T29.2Very low31.8Very low125 Ų125135.7 Ų135.777%0.76781%0.806SS**  trans-94.2137.3-17650.60000112.6
655T32.5Very low31.7Very low128 Ų128137.3 Ų137.379%0.78580%0.802SS**  -175.3142.4127270000114.3
656T31.1Very low31.7Very low122 Ų122136.2 Ų136.275%0.74880%0.804SS**  trans48101.1147.2590000121.9
657V28.7Very low31.6Very low141 Ų141138.1 Ų138.186%0.85581%0.809SS**  19.1117.1128.3-170.70000118.3
658S32.2Very low31.8Very low117 Ų117137.8 Ų137.882%0.81880%0.802SS**  trans-168.4157.2133.8-75.90000110.3
659D28.9Very low31.5Very low159 Ų159136.3 Ų136.385%0.8580%0.798SS**  trans-62.4146.8-169.4-53.7-76.4000115.3
660L32.9Very low31.5Very low171 Ų171141.5 Ų141.590%0.89580%0.8SS**  trans-164.7115.8150.4-112.3166.7000114.1
661A36.9Very low31.3Very low88 Ų88140.1 Ų140.173%0.72780%0.795SS**  trans42.5129.4150.900000122.6
662H30Very low31.2Very low172 Ų172141.6 Ų141.680%0.79680%0.801SS**  trans-62162.3162.1-62.7-89.1000113.3
663P35.6Very low31.1Very low101 Ų101141 Ų14166%0.65680%0.799SS**  -116.7123.3120.333-31.7000111.8Y665P663-Y665 HydrophobicContact CB-CE2 4.1Å; P663-Y665 HydrophobicContact CG-CE2 4.3Å
664S28.5Very low31Very low103 Ų103141.5 Ų141.572%0.7280%0.796SS**  trans-72.8139.2170.2-51.60000110.4
665Y31.3Very low31Very low207 Ų207143.5 Ų143.581%0.81280%0.799SS**  trans-128.9127.9167.7-81-79.2000110.1P663P663-Y665 HydrophobicContact CB-CE2 4.1Å; P663-Y665 HydrophobicContact CG-CE2 4.3Å
666D28Very low30.9Very low157 Ų157142 Ų14284%0.8479%0.792SS**  trans-67.5130.7-179.3-64.4-66.4000111.9
667L32.9Very low31Very low178 Ų178141.4 Ų141.493%0.93279%0.788SS**  trans-110.4111.5155.6-81.7175.2000109
668Q30.9Very low31.2Very low150 Ų150142.5 Ų142.570%0.70178%0.777SS**  trans-64137.1-175.8-66175.3-10.800111.3Y670Q668-Y670 VanDerWaalsContact C-N 3.29Å; Q668-Y670 HydrophobicContact CB-CD2 4.33Å; Q668-Y670 HydrophobicContact CB-CE2 4.44Å; Q668-Y670 PolarHBondContact O-N 3.4Å
669S25.9Very low31.6Very low122 Ų122142.8 Ų142.885%0.85377%0.774SS**  trans-72.174.9-177.642.50000112.8S671S669-S671 PolarHBondContact O-N 3.18Å
670Y30.7Very low31.8Very low198 Ų198141.7 Ų141.778%0.77677%0.768SS**  trans-68.892.2174.3-97.4-87.4000111.9Q668 S672Q668-Y670 VanDerWaalsContact C-N 3.29Å; Q668-Y670 HydrophobicContact CB-CD2 4.33Å; Q668-Y670 HydrophobicContact CB-CE2 4.44Å; Q668-Y670 PolarHBondContact O-N 3.4Å; Y670-S672 PolarHBondContact O-N 3.22Å
671S28.9Very low32Very low102 Ų102143.7 Ų143.771%0.71377%0.769SS**  trans-55.3105.7172.5-176.20000111S669 S673S669-S671 PolarHBondContact O-N 3.18Å; S671-S673 PolarHBondContact O-N 3.42Å; S671-S673 PolarHBondContact O-OG 2.84Å
672S32.2Very low31.9Very low121 Ų121144.5 Ų144.585%0.84677%0.77SS**  trans-63.997.1177.9-79.50000110.7Y670Y670-S672 PolarHBondContact O-N 3.22Å
673S31.1Very low32Very low105 Ų105145 Ų14573%0.73477%0.77SS**  trans-68.3136.1-173.7-75.10000112S671 M675S671-S673 PolarHBondContact O-N 3.42Å; S671-S673 PolarHBondContact O-OG 2.84Å; S673-M675 PolarHBondContact O-N 2.98Å
674K32.2Very low31.9Very low204 Ų204147.7 Ų147.789%0.88778%0.775SS**  trans-63.396.3-173.4-63.4161.7-175.5162.20111.5C676K674-C676 VanDerWaalsContact C-N 3.31Å; K674-C676 PolarHBondContact O-N 3.31Å
675M29.1Very low32.1Very low168 Ų168150.3 Ų150.383%0.82878%0.776SS**  trans-72.882.3178.3-159.4175.884.800111.9S673 V677S673-M675 PolarHBondContact O-N 2.98Å; M675-V677 HydrophobicContact CE-CG2 3.81Å; M675-V677 HydrophobicContact CG-CG2 4.41Å; M675-V677 PolarHBondContact O-N 3.45Å; M675-V677 VanDerWaalsContact O-N 3.1Å
676C30Very low32.3Very low96 Ų96148.4 Ų148.465%0.64977%0.772SS**  trans-80.686.7-179.7-166.90000111.3K674 R678K674-C676 VanDerWaalsContact C-N 3.31Å; K674-C676 PolarHBondContact O-N 3.31Å; C676-R678 PolarHBondContact O-N 3.34Å
677V34.2Very low32.8Very low109 Ų109146.1 Ų146.166%0.66177%0.766SS**  trans-70.481.2173.5-174.80000110.4M675 T679M675-V677 HydrophobicContact CE-CG2 3.81Å; M675-V677 HydrophobicContact CG-CG2 4.41Å; M675-V677 PolarHBondContact O-N 3.45Å; M675-V677 VanDerWaalsContact O-N 3.1Å; V677-T679 HydrophobicContact CG1-CG2 4.18Å; V677-T679 PolarHBondContact O-N 3.32Å
678R33.8Very low32.7Very low164 Ų164145.7 Ų145.762%0.61976%0.764SS**  trans-96.289.9-178.6-156.4174-164.81460.5109.6C676 N680C676-R678 PolarHBondContact O-N 3.34Å; R678-N680 PolarHBondContact O-N 3.08Å
679T38.8Very low33.1Very low123 Ų123142.8 Ų142.876%0.75576%0.761SS**  trans-71.769.1-176.750.60000113.2V677 K681V677-T679 HydrophobicContact CG1-CG2 4.18Å; V677-T679 PolarHBondContact O-N 3.32Å; T679-K681 PolarHBondContact O-N 3.28Å
680N33.5Very low33.6Very low137 Ų137147.1 Ų147.173%0.73377%0.765SS**  trans-69.294.1171.9-96.8-6.9000110.4R678 S682R678-N680 PolarHBondContact O-N 3.08Å; N680-S682 PolarHBondContact O-N 3.35Å
681K36.6Very low33.8Very low212 Ų212140.3 Ų140.392%0.92276%0.755SS**  trans-71.969.1163.7-78.6-169.1170.5-174.80110.6T679T679-K681 PolarHBondContact O-N 3.28Å
682S35.7Very low34.2Very low105 Ų105143.7 Ų143.773%0.73476%0.76SS**  trans-70.4137.9161.3-171.60000109.1N680N680-S682 PolarHBondContact O-N 3.35Å
683K32.7Very low34.1Very low182 Ų182145.3 Ų145.379%0.79176%0.758SS**  trans-104.578.3-172.2-172.2-175176.5-175.10110
684M33.2Very low34.5Very low158 Ų158145.4 Ų145.478%0.77876%0.756SS**  trans-71.9144.9164.6-68.3-154.975.600110F686M684-F686 HydrophobicContact CE-CE2 4.22Å
685H32Very low34.3Very low158 Ų158145.3 Ų145.373%0.73176%0.756SS**  trans-133.7111-168.8-162.321.2000107.4
686F36Very low34.5Very low168 Ų168143 Ų14374%0.73776%0.757SS**  trans-120.7149.4166.7-83.1-82.4000108.6M684M684-F686 HydrophobicContact CE-CE2 4.22Å
687P38.8Very low34.7Very low108 Ų108147.1 Ų147.170%0.70177%0.766SS**  trans-91.7132.8-170.534.2-32.7000112.7
688D30.8Very low34.9Very low169 Ų169146.5 Ų146.590%0.90477%0.765SS**  trans-73.4130.2162.6-61.9-56.4000109.9
689S39.7Very low34.8Very low90 Ų90145.7 Ų145.763%0.62977%0.772SS**  trans-154.6138.3168.860.90000111.3
690F35.9Very low34.6Very low212 Ų212147.2 Ų147.293%0.9378%0.776SS**  trans65139.7-175.8-54.6-86.9000115.8
691G35.7Very low34.9Very low56 Ų56146 Ų14658%0.57778%0.775SS**  cis142.7120.6-9.200000112.8
692Q36.5Very low34.6Very low172 Ų172141.1 Ų141.180%0.80477%0.767SS**  trans53.5118.7171.9-81.973.9-3.700116.4
693L30.4Very low34.6Very low155 Ų155143.1 Ų143.181%0.81277%0.769SS**  54.9145.673.3-64.8178.6000114.7
694P38.7Very low34.7Very low108 Ų108141.6 Ų141.670%0.70176%0.764SS**  cis-137.7177.67.731-7000117.5
695F29.3Very low34.9Very low201 Ų201139.9 Ų139.988%0.88276%0.758SS**  trans11.1131.1150.1-72.7-102.9000122.4
696S32.5Very low35.1Very low120 Ų120138.9 Ų138.984%0.83976%0.757SS**  -172.1162.8115.546.30000112.8
697Q33.9Very low35.2Very low183 Ų183135.2 Ų135.286%0.85575%0.752SS**  trans-112.6-163.5177.7-67-169.5-31.300110.2
698P38.2Very low35.2Very low96 Ų96138.3 Ų138.362%0.62376%0.755SS**  -125.7-165.8-75.537.4-20.8000112.8
699N32.5Very low35.7Very low146 Ų146137.5 Ų137.578%0.78175%0.751SS**  trans99.2148.3159.4-56.2-32.8000119.6
700N33.7Very low35.7Very low156 Ų156140.6 Ų140.683%0.83475%0.753SS**  trans-75.8-177.2175.5-54.3-41.3000110.7
701P41Very low36.1Very low110 Ų110136 Ų13671%0.71475%0.745SS**  cis-153.6-170.917.846.8-25.6000119.6
702C29.6Very low36.3Very low110 Ų110139 Ų13974%0.74375%0.747SS**  trans81.9152.7144.9-74.80000122.4
703L36.1Very low36.5Very low148 Ų148139.1 Ų139.178%0.77575%0.748SS**  trans71.5147.6170.2-44.1-175.3000116.2
704E35.3Very low37.7Very low149 Ų149137.3 Ų137.370%0.69675%0.745SS**  cis-168.4175.3-15.8-108.2-178.7131.100106.7
705L36.1Very low37.9Very low122 Ų122137.6 Ų137.664%0.63975%0.747SS**  cis-161.7164.92.9-126.5177.2000108.9
706L37.5Very low38.2Very low138 Ų138132.1 Ų132.172%0.72374%0.739SS**  trans66.1146.6158.7-62.3173.8000118.7F708L706-F708 HydrophobicContact CD2-CE2 4.3Å
707S38.2Very low38.5Very low91 Ų91134.6 Ų134.664%0.63674%0.743SS**  cis-149.7149.46.9-99.10000112.6
708F38.6Very low38.5Very low172 Ų172130.9 Ų130.975%0.75474%0.737SS**  trans19.8145.4146.1-57.3-84.1000121.8L706L706-F708 HydrophobicContact CD2-CE2 4.3Å
709D41Very low38.7Very low153 Ų153131.6 Ų131.682%0.81874%0.742SS**  cis-151174.622.9-128.8-35.5000115.4
710K39.9Very low38.8Very low154 Ų154130.2 Ų130.267%0.6774%0.738SS**  trans-108.6-177.5-176.8-121.9-178.1172-158.10112D712K710-D712 WeakPolarHBondContact CD-OD2 3.33Å; K710-D712 WeakPolarHBondContact CE-OD1 3.44Å; K710-D712 IonicContact NZ-OD1 2.58Å; K710-D712 PolarHBondContact NZ-OD1 3.48Å; K710-D712 IonicContact NZ-OD2 3.83Å
711P44.6Very low38.8Very low117 Ų117130.3 Ų130.376%0.7673%0.734SS**  cis-135.4142.535.338.5-17.8000116.4
712D38.2Very low38.4Very low118 Ų118133.1 Ų133.163%0.63174%0.735SS**  78.3128.691.7-63.8-59.1000118.7K710K710-D712 WeakPolarHBondContact CD-OD2 3.33Å; K710-D712 WeakPolarHBondContact CE-OD1 3.44Å; K710-D712 IonicContact NZ-OD1 2.58Å; K710-D712 PolarHBondContact NZ-OD1 3.48Å; K710-D712 IonicContact NZ-OD2 3.83Å
713E40.6Very low38.8Very low175 Ų175134.9 Ų134.982%0.81874%0.736SS**  trans-118.7140.6170.4-173.5-165.9-11500109.5
714P56.5Low38.8Very low117 Ų117133.2 Ų133.276%0.7674%0.737SS**  trans-113130.5170.835.7-25.7000113.3
715P41.9Very low38.9Very low113 Ų113133.1 Ų133.173%0.73474%0.741SS**  trans-91.3156.5-178.635.5-36000114.7
716A37.3Very low39.3Very low86 Ų86133 Ų13371%0.71175%0.748SS**  trans40.4115.5151.700000120.6
717N38.7Very low39.3Very low172 Ų172133.2 Ų133.292%0.9275%0.749SS**  -171.2160.7123.8-95.8-49.1000111.6
718S33.7Very low39.5Very low105 Ų105138.2 Ų138.273%0.73476%0.759SS**  trans-85.2159.7176.662.40000111.7
719P41.8Very low39.5Very low112 Ų112140.7 Ų140.773%0.72776%0.763SS**  -154.5153.584.239.9-20.1000118.8
720V35.6Very low39.4Very low117 Ų117139.4 Ų139.471%0.70976%0.761SS**  48.5125.2129.7-173.60000122.4
721E32.6Very low39.4Very low158 Ų158141.8 Ų141.874%0.73877%0.766SS**  trans62.2145.3158.6-68.1168.9-169.200117.9
722F33.4Very low39.2Very low169 Ų169144.2 Ų144.274%0.74177%0.767SS**  -153.216152.1-114.5-100.9000114.1
723L36.4Very low39.4Very low147 Ų147150 Ų15077%0.7780%0.796SS**  trans3.9135.7160.6-59.3173.7000119.1
724S37.2Very low39.4Very low113 Ų113148.8 Ų148.879%0.7980%0.795SS**  -173.5155.153.736.70000114.2
725N37.4Very low38.5Very low146 Ų146150.4 Ų150.478%0.78180%0.797SS**  trans-102.3154.7166.3-78.8-68.1000110.1
726P44.7Very low38.3Very low120 Ų120152.5 Ų152.578%0.77980%0.801SS**  -143.2132.996.635.2-19.7000113.7
727L36.2Very low38.3Very low143 Ų143156.4 Ų156.475%0.74981%0.806SS**  57.197.474.2-77.8174.4000116.7
728K43Very low38.3Very low196 Ų196155.4 Ų155.485%0.85280%0.799SS**  trans-159.6130.9133.8-99.2153.9-171.3178.40107
729R38.3Very low38.6Very low223 Ų223158.8 Ų158.884%0.84280%0.803SS**  cis66.3130.649.3-73.1-165.5176.1174.50.3112.8
730V39.4Very low38.4Very low127 Ų127162.1 Ų162.177%0.7781%0.809SS**  cis-154.1168.9-3.6970000113.2
731R39.5Very low38.6Very low204 Ų204165.6 Ų165.677%0.7782%0.816SS**  trans-60166.7-178.8-49.4164.2-176.2154.3-2.1115.7
732H40.9Very low39.1Very low167 Ų167166.3 Ų166.377%0.77382%0.823SS**  trans64.9123.8161.6-60.4-63.1000115.6
733L43Very low39.6Very low240 Ų240166 Ų166100%1.25783%0.83SS**  cis-81.6029.3-75.3156000116.5

Retrieved 733 of 733 residues in 530.1 ms (Link to these results)