A0A3Q0KVL5_SCHMA Loading...

Serine/threonine-protein kinase DDB_G0282963

AlphaFold DB , UniProt , Accession A0A3Q0KVL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 668 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.5Very low58.9Low243 Ų243122.8 Ų122.8100%1.19768%0.68SS**  0960-173.8167.717200106.5
2L44.6Very low60.6Low163 Ų163122.8 Ų122.885%0.85368%0.676SS**  trans-75.3145.7176.3-73.7156000108.6
3P55.5Low62.4Low98 Ų98125.7 Ų125.764%0.63667%0.673SS**  trans-63.6139.8165.129.6-33.2000108.8D5P3-D5 PolarHBondContact O-N 3.44Å
4S51.6Low64.2Low71 Ų71119.6 Ų119.650%0.49765%0.654SS.*  trans-81.5112.7172.3-171.70000109.6E6 G7S4-E6 PolarHBondContact O-N 3.15Å; S4-E6 WeakPolarHBondContact OG-CG 3.43Å; S4-E6 PolarHBondContact OG-OE2 3.22Å; S4-G7 PolarHBondContact O-N 2.97Å
5D60.4Low65.8Low109 Ų109122.1 Ų122.158%0.58365%0.652SS**THydrogen-bonded Turntrans-64.4-17178.7-70.5-44.1000113.2P3 G7 Q8 L9P3-D5 PolarHBondContact O-N 3.44Å; D5-G7 PolarHBondContact O-N 3.27Å; D5-Q8 PolarHBondContact O-N 3.05Å; D5-Q8 PolarHBondContact OD1-NE2 3.07Å; D5-L9 PolarHBondContact O-N 3Å; D5-L9 VanDerWaalsContact O-N 3.09Å
6E58.6Low67.3Low139 Ų139120.3 Ų120.365%0.6564%0.641SS**Hα-helixtrans-50.9-40.6173.5-60.9170.4143.900111.7S4 Q8 L9 F10S4-E6 PolarHBondContact O-N 3.15Å; S4-E6 WeakPolarHBondContact OG-CG 3.43Å; S4-E6 PolarHBondContact OG-OE2 3.22Å; E6-Q8 VanDerWaalsContact C-N 3.32Å; E6-Q8 PolarHBondContact O-N 3.24Å; E6-L9 PolarHBondContact O-N 2.96Å; E6-F10 WeakPolarHBondContact O-CD2 3.17Å; E6-F10 PolarHBondContact O-N 3.21Å; E6-F10 VanDerWaalsContact O-N 3.1Å
7G60.8Low68.6Low56 Ų56117.5 Ų117.558%0.57763%0.63SS**Hα-helixtrans-66.3-31.3178.900000113.7S4 D5 G11S4-G7 PolarHBondContact O-N 2.97Å; D5-G7 PolarHBondContact O-N 3.27Å; G7-G11 PolarHBondContact O-N 3.3Å
8Q61.1Low69.9Low135 Ų135116.2 Ų116.263%0.63162%0.622SS**Hα-helixtrans-76.4-39.4175.9-61.9-168.260.900111.2D5 E6 G11 L12D5-Q8 PolarHBondContact O-N 3.05Å; D5-Q8 PolarHBondContact OD1-NE2 3.07Å; E6-Q8 VanDerWaalsContact C-N 3.32Å; E6-Q8 PolarHBondContact O-N 3.24Å; Q8-G11 PolarHBondContact O-N 3.19Å; Q8-L12 PolarHBondContact O-N 3.45Å
9L62.7Low71Confident127 Ų127112.7 Ų112.767%0.66561%0.606SS**Hα-helixtrans-65-43.4-179.9-164.968.9000112D5 E6 L12 Y13D5-L9 PolarHBondContact O-N 3Å; D5-L9 VanDerWaalsContact O-N 3.09Å; E6-L9 PolarHBondContact O-N 2.96Å; L9-L12 PolarHBondContact O-N 2.8Å; L9-Y13 WeakPolarHBondContact O-CB 3.46Å; L9-Y13 PolarHBondContact O-N 2.77Å
10F69.7Low72.1Confident165 Ų165111.7 Ų111.772%0.72460%0.599SS**Hα-helixtrans-63.5-38.7172.6-89.7-78.5000112.7E6 G14E6-F10 WeakPolarHBondContact O-CD2 3.17Å; E6-F10 PolarHBondContact O-N 3.21Å; E6-F10 VanDerWaalsContact O-N 3.1Å; F10-G14 PolarHBondContact O-N 3.05Å
11G77Confident73.1Confident45 Ų45112.4 Ų112.446%0.46460%0.597SS.*Hα-helixtrans-62.5-46.3175.300000112.8G7 Q8 G14 Y15G7-G11 PolarHBondContact O-N 3.3Å; Q8-G11 PolarHBondContact O-N 3.19Å; G11-G14 PolarHBondContact O-N 2.97Å; G11-Y15 WeakPolarHBondContact O-CB 3.23Å; G11-Y15 PolarHBondContact O-N 2.85Å
12L79.5Confident75.3Confident122 Ų122105.2 Ų105.264%0.63956%0.563SS**Hα-helixtrans-63.8-44.9177.8-165.682.4000111.6Q8 L9 Y15 L16Q8-L12 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 2.8Å; L12-Y15 PolarHBondContact O-N 2.93Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 2.8Å
13Y84.1Confident77.5Confident161 Ų16199.8 Ų99.863%0.63154%0.541SS*.Hα-helixtrans-65.6-42.4179.1-167.4-94.8000111.9L9 Y15 L16 V17L9-Y13 WeakPolarHBondContact O-CB 3.46Å; L9-Y13 PolarHBondContact O-N 2.77Å; Y13-Y15 PolarHBondContact O-N 2.9Å; Y13-L16 PolarHBondContact O-N 2.92Å; Y13-V17 HydrophobicContact CD1-CG2 4.04Å; Y13-V17 HydrophobicContact CE1-CG2 3.73Å; Y13-V17 WeakPolarHBondContact O-CG2 3.46Å; Y13-V17 PolarHBondContact O-N 3.05Å
14G87.8Confident79.3Confident40 Ų4099.6 Ų99.641%0.41254%0.535SS..Hα-helixtrans-61-41.2174.400000113F10 G11 L18F10-G14 PolarHBondContact O-N 3.05Å; G11-G14 PolarHBondContact O-N 2.97Å; G14-L18 WeakPolarHBondContact O-CB 3.41Å; G14-L18 PolarHBondContact O-N 3.27Å
15Y87.8Confident81.1Confident157 Ų15799.4 Ų99.462%0.61653%0.527SS*.Hα-helixtrans-66-40174.6-176.5-97.8000112.6G11 L12 Y13 L18 T19G11-Y15 WeakPolarHBondContact O-CB 3.23Å; G11-Y15 PolarHBondContact O-N 2.85Å; L12-Y15 PolarHBondContact O-N 2.93Å; Y13-Y15 PolarHBondContact O-N 2.9Å; Y15-L18 PolarHBondContact O-N 3.38Å; Y15-T19 HydrophobicContact CD1-CG2 4.2Å; Y15-T19 HydrophobicContact CE1-CG2 3.74Å; Y15-T19 HydrophobicContact CE2-CG2 4.16Å; Y15-T19 WeakPolarHBondContact O-CG2 3.19Å; Y15-T19 PolarHBondContact O-N 2.87Å; Y15-T19 PolarHBondContact O-OG1 2.77Å
16L90Very high82.3Confident93 Ų9397.4 Ų97.449%0.48752%0.521SS..Hα-helixtrans-64-45.7176.5-174.964.3000111.6L12 Y13 L18 T19 I20L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 2.8Å; Y13-L16 PolarHBondContact O-N 2.92Å; L16-L18 PolarHBondContact O-N 2.92Å; L16-T19 WeakPolarHBondContact CA-OG1 3.42Å; L16-T19 PolarHBondContact O-N 3.1Å; L16-T19 PolarHBondContact O-OG1 3.12Å; L16-I20 HydrophobicContact CD1-CD1 4.24Å; L16-I20 HydrophobicContact CG-CD1 4.02Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.41Å; L16-I20 PolarHBondContact O-N 3.12Å
17V90.1Very high83.8Confident74 Ų7495 Ų9545%0.44851%0.512SS..Hα-helixtrans-62.3-42.2175.7172.20000111.3Y13 I20 F21Y13-V17 HydrophobicContact CD1-CG2 4.04Å; Y13-V17 HydrophobicContact CE1-CG2 3.73Å; Y13-V17 WeakPolarHBondContact O-CG2 3.46Å; Y13-V17 PolarHBondContact O-N 3.05Å; V17-I20 PolarHBondContact O-N 2.84Å; V17-F21 WeakPolarHBondContact O-CB 3.38Å; V17-F21 PolarHBondContact O-N 3.28Å
18L91.3Very high84.9Confident94 Ų9497.6 Ų97.649%0.49251%0.512SS..Hα-helixtrans-64.8-42.7178-17961.3000112.5G14 Y15 L16 F21 L22G14-L18 WeakPolarHBondContact O-CB 3.41Å; G14-L18 PolarHBondContact O-N 3.27Å; Y15-L18 PolarHBondContact O-N 3.38Å; L16-L18 PolarHBondContact O-N 2.92Å; L18-F21 PolarHBondContact O-N 3.11Å; L18-L22 HydrophobicContact CD1-CD1 4.33Å; L18-L22 HydrophobicContact CD1-CG 4.41Å; L18-L22 HydrophobicContact CG-CD1 4.15Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 2.73Å
19T91.7Very high85.9Confident50 Ų5093.8 Ų93.831%0.30750%0.495SS..Hα-helixtrans-68.1-38.2178.447.30000112.2Y15 L16 L22 A23Y15-T19 HydrophobicContact CD1-CG2 4.2Å; Y15-T19 HydrophobicContact CE1-CG2 3.74Å; Y15-T19 HydrophobicContact CE2-CG2 4.16Å; Y15-T19 WeakPolarHBondContact O-CG2 3.19Å; Y15-T19 PolarHBondContact O-N 2.87Å; Y15-T19 PolarHBondContact O-OG1 2.77Å; L16-T19 WeakPolarHBondContact CA-OG1 3.42Å; L16-T19 PolarHBondContact O-N 3.1Å; L16-T19 PolarHBondContact O-OG1 3.12Å; T19-L22 PolarHBondContact O-N 3.42Å; T19-A23 WeakPolarHBondContact O-CB 3.44Å; T19-A23 PolarHBondContact O-N 3.39Å
20I92.5Very high86.8Confident92 Ų9294.5 Ų94.547%0.47249%0.493SS..Hα-helixtrans-62.3-44.4171.5-68.1166000111L16 V17 A23 L24L16-I20 HydrophobicContact CD1-CD1 4.24Å; L16-I20 HydrophobicContact CG-CD1 4.02Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.41Å; L16-I20 PolarHBondContact O-N 3.12Å; V17-I20 PolarHBondContact O-N 2.84Å; I20-A23 PolarHBondContact O-N 3.31Å; I20-L24 HydrophobicContact CG2-CD1 4.17Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 2.84Å
21F92.4Very high87.3Confident127 Ų12792.9 Ų92.956%0.55749%0.492SS*.Hα-helixtrans-62.9-43.2178.4-177-108.5000112.5V17 L18 L24 I25V17-F21 WeakPolarHBondContact O-CB 3.38Å; V17-F21 PolarHBondContact O-N 3.28Å; L18-F21 PolarHBondContact O-N 3.11Å; F21-L24 PolarHBondContact O-N 3.06Å; F21-I25 HydrophobicContact CD1-CD1 3.89Å; F21-I25 HydrophobicContact CE1-CD1 3.5Å; F21-I25 VanDerWaalsContact CE1-CD1 3.5Å; F21-I25 HydrophobicContact CZ-CD1 3.87Å; F21-I25 WeakPolarHBondContact O-CG1 3.37Å; F21-I25 PolarHBondContact O-N 3.07Å; F21-I25 VanDerWaalsContact O-N 3.07Å
22L92.1Very high87.3Confident92 Ų9293 Ų9348%0.48249%0.486SS..Hα-helixtrans-64.3-40.9174.4-71.8169.3000112.1L18 T19 L24 I25 C26L18-L22 HydrophobicContact CD1-CD1 4.33Å; L18-L22 HydrophobicContact CD1-CG 4.41Å; L18-L22 HydrophobicContact CG-CD1 4.15Å; L18-L22 WeakPolarHBondContact O-CG 3.44Å; L18-L22 PolarHBondContact O-N 2.73Å; T19-L22 PolarHBondContact O-N 3.42Å; L22-L24 PolarHBondContact O-N 2.93Å; L22-I25 PolarHBondContact O-N 2.81Å; L22-C26 PolarHBondContact O-N 3.16Å; L22-C26 PolarHBondContact O-SG 2.96Å; L22-C26 VanDerWaalsContact O-SG 3.4Å
23A91.7Very high86.7Confident48 Ų4891.1 Ų91.140%0.39748%0.48SS..Hα-helixtrans-61.5-42.2175.400000112T19 I20 C26 I27T19-A23 WeakPolarHBondContact O-CB 3.44Å; T19-A23 PolarHBondContact O-N 3.39Å; I20-A23 PolarHBondContact O-N 3.31Å; A23-C26 PolarHBondContact O-N 2.9Å; A23-I27 WeakPolarHBondContact O-CD1 3.26Å; A23-I27 VanDerWaalsContact O-CG1 3.25Å; A23-I27 WeakPolarHBondContact O-CG1 3.45Å; A23-I27 PolarHBondContact O-N 2.98Å
24L91.8Very high85.9Confident95 Ų9589.5 Ų89.550%0.49748%0.482SS..Hα-helixtrans-62.7-40.5175.2-71.9169.9000112.4I20 F21 L22 I27 L28I20-L24 HydrophobicContact CG2-CD1 4.17Å; I20-L24 WeakPolarHBondContact O-CG 3.42Å; I20-L24 PolarHBondContact O-N 2.84Å; F21-L24 PolarHBondContact O-N 3.06Å; L22-L24 PolarHBondContact O-N 2.93Å; L24-I27 PolarHBondContact O-N 3.12Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.36Å; L24-L28 PolarHBondContact O-N 2.9Å
25I89.3Confident84.6Confident66 Ų6690.8 Ų90.834%0.33848%0.482SS..Hα-helixtrans-61.9-46.4173.9-70.3168.1000110.8F21 L22 I27 L28 L29F21-I25 HydrophobicContact CD1-CD1 3.89Å; F21-I25 HydrophobicContact CE1-CD1 3.5Å; F21-I25 VanDerWaalsContact CE1-CD1 3.5Å; F21-I25 HydrophobicContact CZ-CD1 3.87Å; F21-I25 WeakPolarHBondContact O-CG1 3.37Å; F21-I25 PolarHBondContact O-N 3.07Å; F21-I25 VanDerWaalsContact O-N 3.07Å; L22-I25 PolarHBondContact O-N 2.81Å; I25-I27 PolarHBondContact O-N 2.81Å; I25-L28 PolarHBondContact O-N 3.16Å; I25-L29 HydrophobicContact CG2-CD1 3.98Å; I25-L29 HydrophobicContact CG2-CG 4.49Å; I25-L29 WeakPolarHBondContact O-CG 3.46Å; I25-L29 PolarHBondContact O-N 3.37Å
26C87Confident83Confident67 Ų6787.9 Ų87.945%0.45347%0.47SS..Hα-helixtrans-59.1-46.4176.2-70.60000111.6L22 A23 L28 L29 F30L22-C26 PolarHBondContact O-N 3.16Å; L22-C26 PolarHBondContact O-SG 2.96Å; L22-C26 VanDerWaalsContact O-SG 3.4Å; A23-C26 PolarHBondContact O-N 2.9Å; C26-L28 PolarHBondContact O-N 3.05Å; C26-L29 PolarHBondContact O-N 3.28Å; C26-F30 VanDerWaalsContact O-CD2 3.27Å; C26-F30 WeakPolarHBondContact O-CD2 3.44Å; C26-F30 PolarHBondContact O-N 3.34Å
27I88.7Confident81.6Confident90 Ų9086.3 Ų86.346%0.46247%0.471SS..Hα-helixtrans-59.1-45.4177.5-70.1163.9000110.8A23 L24 I25 L29 F30 L31A23-I27 WeakPolarHBondContact O-CD1 3.26Å; A23-I27 VanDerWaalsContact O-CG1 3.25Å; A23-I27 WeakPolarHBondContact O-CG1 3.45Å; A23-I27 PolarHBondContact O-N 2.98Å; L24-I27 PolarHBondContact O-N 3.12Å; I25-I27 PolarHBondContact O-N 2.81Å; I27-L29 PolarHBondContact O-N 3.35Å; I27-F30 PolarHBondContact O-N 3.07Å; I27-L31 HydrophobicContact CG2-CD1 4.01Å; I27-L31 WeakPolarHBondContact O-CD1 3.47Å; I27-L31 PolarHBondContact O-N 3.17Å
28L84.9Confident80.2Confident109 Ų10993.1 Ų93.157%0.57149%0.489SS*.Hα-helixtrans-61.4-40.5176.7-72.5167.5000112.6L24 I25 C26 F30 L31 S32L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.36Å; L24-L28 PolarHBondContact O-N 2.9Å; I25-L28 PolarHBondContact O-N 3.16Å; C26-L28 PolarHBondContact O-N 3.05Å; L28-F30 VanDerWaalsContact C-N 3.32Å; L28-F30 PolarHBondContact O-N 3.36Å; L28-L31 PolarHBondContact O-N 3.34Å; L28-S32 VanDerWaalsContact O-CB 3.28Å; L28-S32 WeakPolarHBondContact O-CB 3.48Å; L28-S32 PolarHBondContact O-N 2.92Å; L28-S32 PolarHBondContact O-OG 3.42Å
29L81.4Confident78.9Confident55 Ų5592.2 Ų92.229%0.28848%0.484SS..Hα-helixtrans-70.4-24.2176.1-69.1173.3000113.6I25 C26 I27 L39I25-L29 HydrophobicContact CG2-CD1 3.98Å; I25-L29 HydrophobicContact CG2-CG 4.49Å; I25-L29 WeakPolarHBondContact O-CG 3.46Å; I25-L29 PolarHBondContact O-N 3.37Å; C26-L29 PolarHBondContact O-N 3.28Å; I27-L29 PolarHBondContact O-N 3.35Å; L29-L39 HydrophobicContact CD1-CD1 4.48Å; L29-L39 HydrophobicContact CD2-CD1 3.91Å
30F81.1Confident77.4Confident143 Ų14394.9 Ų94.963%0.62750%0.502SS*.Hα-helixtrans-81.8-38.1171.2-86.6-73.5000112.6C26 I27 L28 S32C26-F30 VanDerWaalsContact O-CD2 3.27Å; C26-F30 WeakPolarHBondContact O-CD2 3.44Å; C26-F30 PolarHBondContact O-N 3.34Å; I27-F30 PolarHBondContact O-N 3.07Å; L28-F30 VanDerWaalsContact C-N 3.32Å; L28-F30 PolarHBondContact O-N 3.36Å; F30-S32 VanDerWaalsContact C-N 3.32Å
31L81.8Confident76.2Confident131 Ų13199.4 Ų99.469%0.68651%0.513SS*.Hα-helixtrans-73.1-23.4176.9-94.965000113.2I27 L28 P33I27-L31 HydrophobicContact CG2-CD1 4.01Å; I27-L31 WeakPolarHBondContact O-CD1 3.47Å; I27-L31 PolarHBondContact O-N 3.17Å; L28-L31 PolarHBondContact O-N 3.34Å; L31-P33 VanDerWaalsContact C-CD 3.48Å; L31-P33 VanDerWaalsContact O-CD 3.28Å; L31-P33 WeakPolarHBondContact O-CD 3.34Å
32S75.4Confident74.6Confident48 Ų4895 Ų9534%0.33649%0.494SS..  trans-116.473.2-177.9-58.30000111.5L28 F30 D34 T35 R36L28-S32 VanDerWaalsContact O-CB 3.28Å; L28-S32 WeakPolarHBondContact O-CB 3.48Å; L28-S32 PolarHBondContact O-N 2.92Å; L28-S32 PolarHBondContact O-OG 3.42Å; F30-S32 VanDerWaalsContact C-N 3.32Å; S32-D34 PolarHBondContact O-N 2.93Å; S32-D34 VanDerWaalsContact O-N 3.13Å; S32-T35 WeakPolarHBondContact CB-OG1 3.49Å; S32-T35 PolarHBondContact O-N 3.17Å; S32-T35 PolarHBondContact O-OG1 3.12Å; S32-R36 PolarHBondContact O-N 3.05Å
33P67Low73Confident81 Ų8196 Ų9653%0.52650%0.5SS..Hα-helixtrans-56.2-31.8-178.922.5-33.4000113.1L31 T35 R36 A37L31-P33 VanDerWaalsContact C-CD 3.48Å; L31-P33 VanDerWaalsContact O-CD 3.28Å; L31-P33 WeakPolarHBondContact O-CD 3.34Å; P33-T35 VanDerWaalsContact C-N 3.3Å; P33-T35 PolarHBondContact O-N 3.34Å; P33-R36 WeakPolarHBondContact O-CA 3.35Å; P33-R36 WeakPolarHBondContact O-CB 3.28Å; P33-R36 PolarHBondContact O-N 3.31Å; P33-R36 VanDerWaalsContact O-N 3.11Å; P33-A37 PolarHBondContact O-N 3.38Å
34D67.6Low71.3Confident127 Ų12799.2 Ų99.268%0.67951%0.505SS*.Hα-helixtrans-64-29.3175.5-61-36.4000113.9S32 R38S32-D34 PolarHBondContact O-N 2.93Å; S32-D34 VanDerWaalsContact O-N 3.13Å; D34-R38 WeakPolarHBondContact O-CD 3.42Å; D34-R38 VanDerWaalsContact O-CG 3.25Å; D34-R38 WeakPolarHBondContact O-CG 3.33Å
35T60.1Low69.7Low67 Ų6799.1 Ų99.141%0.41150%0.504SS..Hα-helixtrans-79-35.2172.869.40000110.5S32 P33 R38 L39S32-T35 WeakPolarHBondContact CB-OG1 3.49Å; S32-T35 PolarHBondContact O-N 3.17Å; S32-T35 PolarHBondContact O-OG1 3.12Å; P33-T35 VanDerWaalsContact C-N 3.3Å; P33-T35 PolarHBondContact O-N 3.34Å; T35-R38 PolarHBondContact O-N 3.23Å; T35-L39 PolarHBondContact O-N 2.96Å
36R56Low68.1Low96 Ų9699.2 Ų99.236%0.36250%0.503SS..Hα-helixtrans-63.2-44177-157.5-171.1167.5171.5-2112S32 P33 R38 L39 H42S32-R36 PolarHBondContact O-N 3.05Å; P33-R36 WeakPolarHBondContact O-CA 3.35Å; P33-R36 WeakPolarHBondContact O-CB 3.28Å; P33-R36 PolarHBondContact O-N 3.31Å; P33-R36 VanDerWaalsContact O-N 3.11Å; R36-R38 VanDerWaalsContact C-N 3.26Å; R36-R38 PolarHBondContact O-N 2.77Å; R36-L39 PolarHBondContact O-N 2.96Å; R36-H42 PolarHBondContact O-CD2 3.23Å
37A59.3Low66.7Low60 Ų6098.5 Ų98.550%0.49650%0.502SS..THydrogen-bonded Turntrans-69.6-18.4175.100000113.9P33P33-A37 PolarHBondContact O-N 3.38Å
38R61.7Low65.3Low218 Ų21897.6 Ų97.682%0.82350%0.498SS*.THydrogen-bonded Turntrans-87.9-7.7175.2-76.1176.2177-140.8-0.2114.1D34 T35 R36D34-R38 WeakPolarHBondContact O-CD 3.42Å; D34-R38 VanDerWaalsContact O-CG 3.25Å; D34-R38 WeakPolarHBondContact O-CG 3.33Å; T35-R38 PolarHBondContact O-N 3.23Å; R36-R38 VanDerWaalsContact C-N 3.26Å; R36-R38 PolarHBondContact O-N 2.77Å
39L63.9Low63.9Low75 Ų7598.7 Ų98.739%0.39349%0.494SS..SBendtrans-77.6129.3172.5-70.2168.9000109.4L29 T35 R36 W41 H42L29-L39 HydrophobicContact CD1-CD1 4.48Å; L29-L39 HydrophobicContact CD2-CD1 3.91Å; T35-L39 PolarHBondContact O-N 2.96Å; R36-L39 PolarHBondContact O-N 2.96Å; L39-W41 PolarHBondContact O-N 2.97Å; L39-H42 PolarHBondContact O-N 3.13Å
40P59.8Low62.7Low105 Ų105100.9 Ų100.968%0.68251%0.506SS*.THydrogen-bonded Turntrans-63.6-9.4-176.724.3-33.3000114.1
41W67.1Low61.5Low187 Ų18797.6 Ų97.671%0.70850%0.498SS*.THydrogen-bonded Turntrans-82.9-15.4177.1-54.866.6000112.7L39 F44 I45L39-W41 PolarHBondContact O-N 2.97Å; W41-F44 PolarHBondContact O-N 3.23Å; W41-I45 WeakPolarHBondContact O-CG1 3.41Å; W41-I45 PolarHBondContact O-N 3.44Å
42H57.8Low60Low34 Ų3495.7 Ų95.716%0.15749%0.489CS..Hα-helixtrans-64.9-51.7-178.6-151.6-86.9000111.3R36 L39 F44 I45 E46R36-H42 PolarHBondContact O-CD2 3.23Å; L39-H42 PolarHBondContact O-N 3.13Å; H42-F44 PolarHBondContact O-N 2.88Å; H42-I45 PolarHBondContact O-N 2.94Å; H42-E46 IonicContact CE1-OE1 3.07Å; H42-E46 PolarHBondContact CE1-OE1 3.36Å; H42-E46 IonicContact CE1-OE2 3.48Å; H42-E46 PolarHBondContact CE1-OE2 2.82Å; H42-E46 IonicContact CG-OE2 3.13Å; H42-E46 IonicContact ND1-OE1 3.39Å; H42-E46 IonicContact ND1-OE2 3.78Å; H42-E46 PolarHBondContact ND1-OE2 3.34Å; H42-E46 PolarHBondContact O-N 3.39Å
43N58.4Low58.9Low114 Ų11495.2 Ų95.261%0.6149%0.488SS*.Hα-helixtrans-57.3-32.4176.2-59.15.9000112A47N43-A47 VanDerWaalsContact O-CB 3.26Å; N43-A47 WeakPolarHBondContact O-CB 3.37Å; N43-A47 PolarHBondContact O-N 2.87Å
44F56.2Low58Low116 Ų11696 Ų9651%0.50949%0.487SS..Hα-helixtrans-72.5-42.6176.9-170.4-113.2000111.8W41 H42 E46 I48W41-F44 PolarHBondContact O-N 3.23Å; H42-F44 PolarHBondContact O-N 2.88Å; F44-E46 VanDerWaalsContact C-N 3.3Å; F44-E46 PolarHBondContact O-N 3.13Å; F44-I48 HydrophobicContact CD1-CD1 3.73Å; F44-I48 HydrophobicContact CD2-CD1 4.49Å; F44-I48 HydrophobicContact CE1-CD1 3.4Å; F44-I48 HydrophobicContact CE2-CD1 4.2Å; F44-I48 HydrophobicContact CG-CD1 4.28Å; F44-I48 HydrophobicContact CZ-CD1 3.66Å; F44-I48 WeakPolarHBondContact O-CB 3.48Å; F44-I48 VanDerWaalsContact O-CG1 3.28Å; F44-I48 WeakPolarHBondContact O-CG1 3.49Å; F44-I48 PolarHBondContact O-N 2.91Å
45I58.9Low57.1Low93 Ų9393.7 Ų93.748%0.47747%0.474SS..Hα-helixtrans-65.8-33.4175.2-69.5165.6000111.5W41 H42 R49W41-I45 WeakPolarHBondContact O-CG1 3.41Å; W41-I45 PolarHBondContact O-N 3.44Å; H42-I45 PolarHBondContact O-N 2.94Å; I45-R49 PolarHBondContact O-N 3.43Å
46E56.4Low56.4Low67 Ų6793.6 Ų93.631%0.31348%0.476SS..Hα-helixtrans-75.9-45176.1-73177.5138.800112H42 F44 I48 R49 D50H42-E46 IonicContact CE1-OE1 3.07Å; H42-E46 PolarHBondContact CE1-OE1 3.36Å; H42-E46 IonicContact CE1-OE2 3.48Å; H42-E46 PolarHBondContact CE1-OE2 2.82Å; H42-E46 IonicContact CG-OE2 3.13Å; H42-E46 IonicContact ND1-OE1 3.39Å; H42-E46 IonicContact ND1-OE2 3.78Å; H42-E46 PolarHBondContact ND1-OE2 3.34Å; H42-E46 PolarHBondContact O-N 3.39Å; F44-E46 VanDerWaalsContact C-N 3.3Å; F44-E46 PolarHBondContact O-N 3.13Å; E46-I48 VanDerWaalsContact C-N 3.26Å; E46-I48 PolarHBondContact O-N 3.01Å; E46-R49 WeakPolarHBondContact O-CA 3.25Å; E46-R49 WeakPolarHBondContact O-CB 3.42Å; E46-R49 PolarHBondContact O-N 2.81Å; E46-R49 IonicContact OE1-NH1 3.93Å; E46-D50 PolarHBondContact O-N 3.24Å
47A56.3Low56Low53 Ų5395.5 Ų95.544%0.43849%0.487SS..Hα-helixtrans-58.4-36.9171.700000112.9N43 T51N43-A47 VanDerWaalsContact O-CB 3.26Å; N43-A47 WeakPolarHBondContact O-CB 3.37Å; N43-A47 PolarHBondContact O-N 2.87Å; A47-T51 WeakPolarHBondContact O-CB 3.42Å; A47-T51 WeakPolarHBondContact O-CG2 3.28Å; A47-T51 PolarHBondContact O-N 3.44Å; A47-T51 PolarHBondContact O-OG1 3.41Å
48I59.3Low55.2Low70 Ų7095.2 Ų95.236%0.35948%0.482SS..Hα-helixtrans-68.4-35.6172.9-75.2174.5000111.6F44 E46 T51 N52F44-I48 HydrophobicContact CD1-CD1 3.73Å; F44-I48 HydrophobicContact CD2-CD1 4.49Å; F44-I48 HydrophobicContact CE1-CD1 3.4Å; F44-I48 HydrophobicContact CE2-CD1 4.2Å; F44-I48 HydrophobicContact CG-CD1 4.28Å; F44-I48 HydrophobicContact CZ-CD1 3.66Å; F44-I48 WeakPolarHBondContact O-CB 3.48Å; F44-I48 VanDerWaalsContact O-CG1 3.28Å; F44-I48 WeakPolarHBondContact O-CG1 3.49Å; F44-I48 PolarHBondContact O-N 2.91Å; E46-I48 VanDerWaalsContact C-N 3.26Å; E46-I48 PolarHBondContact O-N 3.01Å; I48-T51 WeakPolarHBondContact CA-OG1 3.49Å; I48-T51 PolarHBondContact O-OG1 3.21Å; I48-N52 WeakPolarHBondContact O-CB 3.18Å; I48-N52 PolarHBondContact O-N 2.86Å; I48-N52 VanDerWaalsContact O-N 3.08Å; I48-N52 PolarHBondContact O-ND2 3.04Å
49R56.5Low54.2Low133 Ų13389.7 Ų89.750%0.50247%0.468SS..Hα-helixtrans-65.4-47.2176.1-168.8-172.1-57.1132.99111I45 E46 N52 A53I45-R49 PolarHBondContact O-N 3.43Å; E46-R49 WeakPolarHBondContact O-CA 3.25Å; E46-R49 WeakPolarHBondContact O-CB 3.42Å; E46-R49 PolarHBondContact O-N 2.81Å; E46-R49 IonicContact OE1-NH1 3.93Å; R49-N52 PolarHBondContact O-N 3.48Å; R49-A53 WeakPolarHBondContact O-CB 3.33Å; R49-A53 PolarHBondContact O-N 2.75Å
50D56.7Low53.1Low100 Ų10091.3 Ų91.354%0.53548%0.482SS..Hα-helixtrans-70-41.9-175.8-63.3-18.2000111.6E46 N52 A53 D54E46-D50 PolarHBondContact O-N 3.24Å; D50-N52 PolarHBondContact O-N 3.24Å; D50-A53 WeakPolarHBondContact O-CB 3.5Å; D50-A53 PolarHBondContact O-N 3.45Å; D50-D54 PolarHBondContact O-N 3.23Å
51T56Low52.1Low75 Ų7590.7 Ų90.746%0.4648%0.479SS..Hα-helixtrans-63.4-39.6173.3490000112.4A47 I48 D54 I55A47-T51 WeakPolarHBondContact O-CB 3.42Å; A47-T51 WeakPolarHBondContact O-CG2 3.28Å; A47-T51 PolarHBondContact O-N 3.44Å; A47-T51 PolarHBondContact O-OG1 3.41Å; I48-T51 WeakPolarHBondContact CA-OG1 3.49Å; I48-T51 PolarHBondContact O-OG1 3.21Å; T51-D54 PolarHBondContact O-N 2.74Å; T51-I55 WeakPolarHBondContact O-CB 3.37Å; T51-I55 WeakPolarHBondContact O-CD1 3.28Å; T51-I55 WeakPolarHBondContact O-CG1 3.27Å; T51-I55 PolarHBondContact O-N 3.04Å
52N50.3Low50.6Low91 Ų9187 Ų8749%0.48748%0.477SS..Hα-helixtrans-68.3-33.5173.8-81.7-75.9000112.8I48 R49 D50 I55 S56I48-N52 WeakPolarHBondContact O-CB 3.18Å; I48-N52 PolarHBondContact O-N 2.86Å; I48-N52 VanDerWaalsContact O-N 3.08Å; I48-N52 PolarHBondContact O-ND2 3.04Å; R49-N52 PolarHBondContact O-N 3.48Å; D50-N52 PolarHBondContact O-N 3.24Å; N52-I55 PolarHBondContact O-N 2.93Å; N52-S56 WeakPolarHBondContact O-CB 3.34Å; N52-S56 PolarHBondContact O-N 2.96Å
53A52.4Low49.3Very low38 Ų3895.1 Ų95.131%0.31451%0.508SS..Hα-helixtrans-62-45173.400000111.3R49 D50 S56 K57R49-A53 WeakPolarHBondContact O-CB 3.33Å; R49-A53 PolarHBondContact O-N 2.75Å; D50-A53 WeakPolarHBondContact O-CB 3.5Å; D50-A53 PolarHBondContact O-N 3.45Å; A53-S56 PolarHBondContact O-N 2.96Å; A53-S56 PolarHBondContact O-OG 3.18Å; A53-K57 WeakPolarHBondContact O-CG 3.49Å; A53-K57 PolarHBondContact O-N 3.04Å
54D46.4Very low48.1Very low96 Ų9696.5 Ų96.551%0.51351%0.514SS..Hα-helixtrans-73.3-32.5177-75.7-12.7000113.3D50 T51 S56 K57 S58D50-D54 PolarHBondContact O-N 3.23Å; T51-D54 PolarHBondContact O-N 2.74Å; D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 PolarHBondContact O-N 3.28Å; D54-K57 PolarHBondContact O-N 2.93Å; D54-K57 IonicContact OD1-NZ 2.75Å; D54-K57 PolarHBondContact OD1-NZ 3Å; D54-S58 PolarHBondContact O-N 3.38Å
55I50.5Low46.7Very low80 Ų8096.3 Ų96.341%0.4152%0.522SS..Hα-helixtrans-63.8-36170.6-70.2163.9000111.4T51 N52 S58 N59T51-I55 WeakPolarHBondContact O-CB 3.37Å; T51-I55 WeakPolarHBondContact O-CD1 3.28Å; T51-I55 WeakPolarHBondContact O-CG1 3.27Å; T51-I55 PolarHBondContact O-N 3.04Å; N52-I55 PolarHBondContact O-N 2.93Å; I55-S58 WeakPolarHBondContact CA-OG 3.42Å; I55-S58 PolarHBondContact O-N 3.42Å; I55-S58 PolarHBondContact O-OG 2.88Å; I55-N59 WeakPolarHBondContact CG2-ND2 3.31Å; I55-N59 WeakPolarHBondContact O-CB 3.25Å; I55-N59 PolarHBondContact O-N 3.05Å; I55-N59 PolarHBondContact O-ND2 3.48Å
56S44.8Very low45.4Very low65 Ų6597 Ų9746%0.45553%0.533SS..Hα-helixtrans-65.1-39.3174.578.50000112N52 A53 D54 T60N52-S56 WeakPolarHBondContact O-CB 3.34Å; N52-S56 PolarHBondContact O-N 2.96Å; A53-S56 PolarHBondContact O-N 2.96Å; A53-S56 PolarHBondContact O-OG 3.18Å; D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 PolarHBondContact O-N 3.28Å; S56-T60 WeakPolarHBondContact O-CB 3.47Å; S56-T60 PolarHBondContact O-N 3.48Å; S56-T60 VanDerWaalsContact O-N 3.17Å; S56-T60 PolarHBondContact O-OG1 3.32Å
57K46.3Very low44Very low135 Ų135103.1 Ų103.159%0.58756%0.561SS**Hα-helixtrans-68.3-42.3175.3-64168.7-159.4157.20111.2A53 D54A53-K57 WeakPolarHBondContact O-CG 3.49Å; A53-K57 PolarHBondContact O-N 3.04Å; D54-K57 PolarHBondContact O-N 2.93Å; D54-K57 IonicContact OD1-NZ 2.75Å; D54-K57 PolarHBondContact OD1-NZ 3Å
58S43.1Very low42.8Very low55 Ų55105.3 Ų105.339%0.38557%0.573SS.*Hα-helixtrans-64.2-47178.170.90000111.4D54 I55 T60 S61D54-S58 PolarHBondContact O-N 3.38Å; I55-S58 WeakPolarHBondContact CA-OG 3.42Å; I55-S58 PolarHBondContact O-N 3.42Å; I55-S58 PolarHBondContact O-OG 2.88Å; S58-T60 VanDerWaalsContact C-N 3.34Å; S58-T60 PolarHBondContact O-N 3.13Å; S58-S61 PolarHBondContact O-N 3.48Å; S58-S61 PolarHBondContact O-OG 3.4Å
59N41.1Very low41.6Very low102 Ų102108 Ų10855%0.54559%0.593SS.*Hα-helixtrans-70.3-29.7-175.6-67.3-9.8000113I55 S61 V62I55-N59 WeakPolarHBondContact CG2-ND2 3.31Å; I55-N59 WeakPolarHBondContact O-CB 3.25Å; I55-N59 PolarHBondContact O-N 3.05Å; I55-N59 PolarHBondContact O-ND2 3.48Å; N59-S61 PolarHBondContact O-N 3.25Å; N59-V62 PolarHBondContact O-N 3.38Å
60T41.5Very low40.4Very low109 Ų109109 Ų10967%0.66961%0.609SS**Hα-helixtrans-68.3-22.4176.8-54.70000112.7S56 S58S56-T60 WeakPolarHBondContact O-CB 3.47Å; S56-T60 PolarHBondContact O-N 3.48Å; S56-T60 VanDerWaalsContact O-N 3.17Å; S56-T60 PolarHBondContact O-OG1 3.32Å; S58-T60 VanDerWaalsContact C-N 3.34Å; S58-T60 PolarHBondContact O-N 3.13Å
61S39.1Very low39Very low91 Ų91108 Ų10864%0.63662%0.622SS**THydrogen-bonded Turntrans-87.6-2.9178.562.40000115.2S58 N59S58-S61 PolarHBondContact O-N 3.48Å; S58-S61 PolarHBondContact O-OG 3.4Å; N59-S61 PolarHBondContact O-N 3.25Å
62V35.4Very low37.8Very low110 Ų110111 Ų11167%0.66764%0.64SS**SBendtrans-105.7-7.2-171.4176.60000113.4N59N59-V62 PolarHBondContact O-N 3.38Å
63Y30.5Very low36.9Very low205 Ų205115.3 Ų115.380%0.80466%0.657SS**  trans-124.426.7-173.7-115.1-88.3000116.5V65Y63-V65 PolarHBondContact O-N 3.47Å
64I31.8Very low36Very low143 Ų143121 Ų12173%0.73368%0.681SS**  trans-8795.6164.2-56.8178.9000108.5P66I64-P66 VanDerWaalsContact O-CD 3.23Å; I64-P66 WeakPolarHBondContact O-CD 3.41Å
65V27.8Very low35.3Very low112 Ų112123.5 Ų123.568%0.67969%0.693SS**  trans-77.3111.8171.8177.60000108.9Y63 Q67Y63-V65 PolarHBondContact O-N 3.47Å; V65-Q67 PolarHBondContact O-N 3.17Å
66P32.4Very low34.5Very low107 Ų107127.3 Ų127.370%0.69571%0.709SS**  trans-81.2109.1-178-6.225.3000109.6I64 S68I64-P66 VanDerWaalsContact O-CD 3.23Å; I64-P66 WeakPolarHBondContact O-CD 3.41Å; P66-S68 PolarHBondContact O-N 2.83Å
67Q26.7Very low33.8Very low196 Ų196128.8 Ų128.892%0.91672%0.719SS**  trans-71.579.5163.4-76.3-169.3-15.200109.6V65V65-Q67 PolarHBondContact O-N 3.17Å
68S31Very low33.1Very low99 Ų99131.3 Ų131.369%0.69273%0.73SS**  trans-100.2104.3173-176.20000109.7P66 N70P66-S68 PolarHBondContact O-N 2.83Å; S68-N70 PolarHBondContact O-N 2.86Å
69T34.1Very low32.8Very low126 Ų126137.8 Ų137.877%0.77375%0.752SS**  trans-74.1118.4169.745.40000110.2
70N29.9Very low32.3Very low155 Ų155139.3 Ų139.383%0.82976%0.76SS**SBendtrans67.2117.7168.9-50.4-37.9000116.7S68S68-N70 PolarHBondContact O-N 2.86Å
71G27.3Very low32.2Very low79 Ų79139.8 Ų139.881%0.81476%0.764SS**  trans132.75.1138.700000121
72V31.7Very low32Very low137 Ų137140.8 Ų140.883%0.8377%0.767SS**  trans-128.7122.6174.4-173.10000111.9L74V72-L74 PolarHBondContact O-N 3.23Å
73Q30.4Very low32.2Very low182 Ų182143.4 Ų143.485%0.8578%0.777SS**  trans-74.8116.9169.9-70.1-175.80.400110I75Q73-I75 PolarHBondContact O-N 2.7Å; Q73-I75 VanDerWaalsContact O-N 3.12Å
74L34.6Very low32.3Very low158 Ų158144.7 Ų144.783%0.82778%0.78SS**  trans-75.6101.2173.6-148.686.7000109.7V72 Q76V72-L74 PolarHBondContact O-N 3.23Å; L74-Q76 PolarHBondContact O-N 3.36Å
75I31.7Very low32.7Very low147 Ų147147.2 Ų147.275%0.75479%0.786SS**  trans-66101.7178-60.1176.6000109.2Q73 S77Q73-I75 PolarHBondContact O-N 2.7Å; Q73-I75 VanDerWaalsContact O-N 3.12Å; I75-S77 PolarHBondContact O-N 2.91Å
76Q32.7Very low33Very low160 Ų160153.5 Ų153.575%0.74880%0.797SS**  trans-69.975.8172.9-70.4-168.3100111.1L74 K78L74-Q76 PolarHBondContact O-N 3.36Å; Q76-K78 PolarHBondContact O-N 3.13Å
77S31.8Very low33.1Very low96 Ų96153.8 Ų153.867%0.67180%0.802SS**  trans-7191.9174.876.70000110.6I75 K79I75-S77 PolarHBondContact O-N 2.91Å; S77-K79 PolarHBondContact O-N 3.3Å
78K31.5Very low33.6Very low188 Ų188151.8 Ų151.882%0.81780%0.796SS**  trans-66.975.6174.6-72.1-179.3177.21750111.3Q76 N80Q76-K78 PolarHBondContact O-N 3.13Å; K78-N80 PolarHBondContact O-N 3.39Å; K78-N80 VanDerWaalsContact O-N 3.12Å
79K35Very low33.7Very low192 Ų192158.2 Ų158.284%0.83581%0.805SS**  trans-8089167.1-91.7-176.8175.5173.10110.4S77S77-K79 PolarHBondContact O-N 3.3Å
80N32.5Very low33.8Very low134 Ų134161 Ų16172%0.71781%0.806SS**  trans-48.4129.5163.5-101.9-40.6000110.2K78 T82K78-N80 PolarHBondContact O-N 3.39Å; K78-N80 VanDerWaalsContact O-N 3.12Å; N80-T82 PolarHBondContact O-N 3.29Å
81P38.8Very low34Very low118 Ų118160.5 Ų160.577%0.76681%0.809SS**  trans-73.970.8165.232-33.7000109L83P81-L83 PolarHBondContact O-N 3.41Å
82T35.6Very low34.3Very low112 Ų112162.6 Ų162.669%0.68781%0.806SS**  trans-64.2101.2-180-560000109.3N80 R84N80-T82 PolarHBondContact O-N 3.29Å; T82-R84 PolarHBondContact O-N 3.22Å
83L38Very low34.5Very low166 Ų166162.6 Ų162.687%0.86981%0.806SS**  trans-6477.9174.3-75.6169.7000110.6P81 K85P81-L83 PolarHBondContact O-N 3.41Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 2.78Å
84R34.3Very low34.4Very low231 Ų231160.3 Ų160.387%0.87281%0.805SS**  trans-69.587.9178.7-172.2178.5-175.3178.92.8109.2T82 R86T82-R84 PolarHBondContact O-N 3.22Å; R84-R86 PolarHBondContact O-N 3.08Å
85K39Very low34.3Very low197 Ų197160.7 Ų160.786%0.85781%0.807SS**  trans-42.6110.1171.3-66.7-179.1178.2179.50109.4L83 S87L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 2.78Å; K85-S87 PolarHBondContact O-N 2.9Å
86R35.1Very low34.2Very low243 Ų243158.8 Ų158.892%0.91781%0.807SS**  trans-63.2123.5168.4-90.3-176.2168.4176.1-3.4107.2R84 I88R84-R86 PolarHBondContact O-N 3.08Å; R86-I88 PolarHBondContact O-N 3.37Å
87S34.6Very low34.3Very low113 Ų113156.1 Ų156.179%0.7981%0.806SS**  trans-64.7119.4179.3-174.90000109.5K85 R89K85-S87 PolarHBondContact O-N 2.9Å; S87-R89 VanDerWaalsContact C-N 3.33Å; S87-R89 PolarHBondContact O-N 3.45Å
88I36.9Very low34.4Very low155 Ų155157.5 Ų157.580%0.79581%0.81SS**  trans-72.493.7172.2-58.1176.2000106.8R86 K90R86-I88 PolarHBondContact O-N 3.37Å; I88-K90 PolarHBondContact O-N 2.69Å
89R33.4Very low34.5Very low233 Ų233153.6 Ų153.688%0.87980%0.802SS**  trans-66.3101.7176.2-167.9179-164.6174.45.4108.3S87 T91S87-R89 VanDerWaalsContact C-N 3.33Å; S87-R89 PolarHBondContact O-N 3.45Å; R89-T91 PolarHBondContact O-N 3.04Å
90K34.6Very low34.4Very low186 Ų186153.6 Ų153.681%0.80980%0.803SS**  trans-51124.8177.8-65.2-176.6178.6-177.30109.9I88 T92I88-K90 PolarHBondContact O-N 2.69Å; K90-T92 PolarHBondContact O-N 2.9Å; K90-T92 VanDerWaalsContact O-N 3.15Å
91T34Very low34.7Very low143 Ų143152 Ų15288%0.87780%0.801SS**  trans-72.298.6165.7280000108.3R89 T93R89-T91 PolarHBondContact O-N 3.04Å; T91-T93 PolarHBondContact O-N 3.02Å
92T34.4Very low34.8Very low124 Ų124152 Ų15276%0.76181%0.805SS**PPolyproline II helixtrans-67.8127.3-175.9-40.70000111.2K90K90-T92 PolarHBondContact O-N 2.9Å; K90-T92 VanDerWaalsContact O-N 3.15Å
93T35.4Very low35.1Very low136 Ų136152.4 Ų152.483%0.83481%0.809SS**PPolyproline II helixtrans-67.2132.1167.532.60000110.7T91T91-T93 PolarHBondContact O-N 3.02Å
94T28.6Very low35.2Very low135 Ų135149.9 Ų149.983%0.82881%0.805SS**PPolyproline II helixtrans-100122.3173.534.60000111.1
95L33.1Very low35.4Very low165 Ų165143.8 Ų143.886%0.86480%0.798SS**  trans-130.5101.5160-85.9172.5000109.8
96S28.5Very low35.4Very low107 Ų107139.7 Ų139.775%0.74879%0.794SS**  trans37.8110.7140.5-520000120
97S35.5Very low35.8Very low104 Ų104132.5 Ų132.573%0.72778%0.781SS**  -178.3136.6113.5360000113.5
98T33.5Very low36Very low125 Ų125133.5 Ų133.577%0.76778%0.783SS**  trans53.5138.3148.757.30000120.6
99T34.3Very low36.1Very low106 Ų106135.3 Ų135.365%0.6579%0.785SS**  cis-169.3144.9-2.9140000110.2
100K33.5Very low36.7Very low193 Ų193132.8 Ų132.884%0.83979%0.788SS**  trans62.4146.3150.6-61.8169.2-176.4178.20117.9
101S37.5Very low37Very low99 Ų99128.5 Ų128.569%0.69278%0.781SS**  cis-171.2131.2-1146.10000113.6
102S40.8Very low37.4Very low120 Ų120127.2 Ų127.284%0.83977%0.769SS**  trans64.9154.4139.4-50.30000123.2
103P43.2Very low37.5Very low120 Ų120129.9 Ų129.978%0.77977%0.77SS**  trans-139.2-151.3-152.744.1-22.7000116.4
104S39.1Very low37.9Very low112 Ų112128.5 Ų128.578%0.78377%0.766SS**  trans100.6149.2166.379.80000117.3
105S38.2Very low38.5Very low103 Ų103126.8 Ų126.872%0.7276%0.759SS**  cis-170169.7-14.149.20000114.2
106S39.1Very low38.7Very low112 Ų112123 Ų12378%0.78375%0.747SS**  trans80.6156.3160.985.40000119.1
107S43Very low38.9Very low92 Ų92127.4 Ų127.464%0.64375%0.753SS**  cis-171.5-179.3-26.7600000112.4
108T39.2Very low38.8Very low133 Ų133127.1 Ų127.182%0.81675%0.751SS**  trans73.9159.416966.40000119.5
109K40.1Very low38.7Very low193 Ų193126 Ų12684%0.83975%0.748SS**  cis-176.6146.1-46-132.5-177.2-176-175.80109.2
110L44.4Very low38.7Very low180 Ų180126.5 Ų126.594%0.94276%0.756SS**  trans172.5173.1146.7-96.9165.4000112.1
111S42.7Very low38.7Very low96 Ų96121.7 Ų121.767%0.67175%0.746SS**  trans-154-172-161.9610000115.7
112D40.8Very low38.3Very low117 Ų117125.2 Ų125.263%0.62675%0.752SS**  trans86.5146.4166.8-64.537.3000116.6
113K36.8Very low37.6Very low180 Ų180123.7 Ų123.778%0.78374%0.741SS**  cis-152.4178.1-0.4-126.5178.7-171.4870113
114S42.9Very low37Very low106 Ų106127.8 Ų127.874%0.74175%0.747SS**  trans-62175.4-178.254.20000116.5
115S42.3Very low36.4Very low99 Ų99130 Ų13069%0.69275%0.75SS**  cis-170.6151.338.455.50000118.6
116S36.9Very low36Very low85 Ų85129.7 Ų129.759%0.59475%0.748SS**  trans50.3120138.662.10000122.5
117F33Very low35.3Very low201 Ų201131 Ų13188%0.88275%0.745SS**  71.4149.186.3-59.6-48.5000114.7
118S33.8Very low34.6Very low98 Ų98133.6 Ų133.669%0.68575%0.747SS**  cis-174-178.2-0.3-113.40000109.5
119S31.9Very low34Very low100 Ų100132.9 Ų132.970%0.69974%0.738SS**  cis173.7106.4-42.1600000111
120S33.6Very low33.4Very low118 Ų118130 Ų13083%0.82574%0.74SS**  trans-176.2169.8173.949.30000111.1
121S32.5Very low32.5Very low91 Ų91129 Ų12964%0.63673%0.73SS**  cis-166.1147.2-37.3-86.20000110.1
122H29.1Very low31.9Very low173 Ų173129.5 Ų129.580%0.80173%0.73SS**  trans63.9144.9168.2-50.9-53.8000118.5
123S27.6Very low31.5Very low88 Ų88130.9 Ų130.962%0.61574%0.742SS**  cis111.884.6-2.682.90000118.8
124F29.2Very low31.1Very low206 Ų206128.3 Ų128.390%0.90474%0.737SS**  trans-142.4149.9145.8-69.2-77.7000107.8
125N26.6Very low30.5Very low158 Ų158126.2 Ų126.285%0.84573%0.732SS**  cis91.172.431.5-101.347.4000116.4
126S29.9Very low29.9Very low97 Ų97129.4 Ų129.468%0.67874%0.74SS**  trans-164.9146.2144.9-125.20000105.2
127I25Very low29.7Very low141 Ų141133.5 Ų133.572%0.72375%0.754SS**  cis68.614633.3-38.3-178000111.3
128E27.6Very low29.5Very low145 Ų145132.3 Ų132.368%0.67875%0.749SS**  trans75.1139.3-168.8-76.554.4-111.300117.8
129D26.9Very low29.3Very low118 Ų118134.8 Ų134.863%0.63175%0.754SS**  trans52.4101.1153.6-57.9-27.1000123
130C27.5Very low29.4Very low132 Ų132137.9 Ų137.989%0.89276%0.758SS**  trans-119.431.5133.7-78.40000111.9T132C130-T132 PolarHBondContact O-N 3.07Å
131H26.7Very low29.2Very low159 Ų159141.3 Ų141.374%0.73676%0.761SS**  trans-73.668160.1-103.1-79.6000109.2
132T30.1Very low29.1Very low107 Ų107143.9 Ų143.966%0.65677%0.767SS**  trans-152.744.4-174.3-13.90000114.7C130C130-T132 PolarHBondContact O-N 3.07Å
133V30.7Very low29Very low147 Ų147144 Ų14489%0.89177%0.768SS**SBendtrans-104.91.8150.1-161.90000111G135V133-G135 VanDerWaalsContact C-N 3.32Å; V133-G135 PolarHBondContact O-N 2.98Å
134D29.1Very low29.1Very low125 Ų125144.6 Ų144.667%0.66877%0.771SS**THydrogen-bonded Turntrans-77.276165-87.5-62.1000111
135G30.3Very low29.2Very low63 Ų63139 Ų13965%0.64975%0.754SS**THydrogen-bonded Turntrans-159.3-17.1179.500000117.2V133V133-G135 VanDerWaalsContact C-N 3.32Å; V133-G135 PolarHBondContact O-N 2.98Å
136I30.9Very low29.3Very low165 Ų165141.4 Ų141.485%0.84675%0.753SS**SBendtrans-119-6.9-172.3-56.6-179.3000112.8
137L32.2Very low29.2Very low171 Ų171143.4 Ų143.490%0.89576%0.755SS**  trans-115.853.3174.1-69.3174.5000112.3
138K27.9Very low29.4Very low176 Ų176142.1 Ų142.177%0.76575%0.754SS**  trans-123.659165.9-75.7-173.5179171.70111.4
139N29.4Very low29.3Very low150 Ų150142.4 Ų142.480%0.80276%0.76SS**SBendtrans-154151.5156.9-105.1-15.7000108.7
140E34.7Very low29.4Very low166 Ų166144.7 Ų144.778%0.77677%0.772SS**  trans55.191.8172.6-60.2178.9170.300114.8N142E140-N142 PolarHBondContact O-N 2.95Å
141Q29.3Very low29.3Very low190 Ų190143.9 Ų143.989%0.88877%0.767SS**  4478.591-63.7-170.1-0.200113.5
142N29.5Very low29.6Very low145 Ų145142.1 Ų142.178%0.77577%0.772SS**  trans-142.8103.2155.6-100.4-51.4000110.7E140 C144E140-N142 PolarHBondContact O-N 2.95Å; N142-C144 PolarHBondContact O-N 3.37Å; N142-C144 VanDerWaalsContact O-N 3.09Å
143E28.9Very low29.5Very low174 Ų174143.6 Ų143.681%0.81378%0.781SS**  trans-78.283.6-179.9-178.6171.9-166.700110.2V145E143-V145 HydrophobicContact CG-CG2 3.72Å; E143-V145 PolarHBondContact O-N 3.36Å
144C29Very low29.7Very low101 Ų101146.3 Ų146.368%0.68278%0.78SS**  trans-77.459.8176.2-68.40000112.3N142 Y146N142-C144 PolarHBondContact O-N 3.37Å; N142-C144 VanDerWaalsContact O-N 3.09Å; C144-Y146 PolarHBondContact O-N 3.32Å
145V32Very low29.7Very low88 Ų88148.5 Ų148.553%0.53379%0.786SS.*  trans-69.1120.2167.3169.80000108.7E143 D147E143-V145 HydrophobicContact CG-CG2 3.72Å; E143-V145 PolarHBondContact O-N 3.36Å; V145-D147 PolarHBondContact O-N 3.39Å
146Y27.6Very low29.8Very low210 Ų210154.2 Ų154.282%0.82479%0.794SS**  trans-79.367.6178.8-86.8-97.1000111.6C144 T148C144-Y146 PolarHBondContact O-N 3.32Å; Y146-T148 VanDerWaalsContact C-N 3.25Å; Y146-T148 PolarHBondContact O-N 2.78Å
147D26.9Very low29.7Very low138 Ų138152.1 Ų152.174%0.73879%0.79SS**  trans-73.379.2171.8-90.7-11.8000111.1V145 N149V145-D147 PolarHBondContact O-N 3.39Å; D147-N149 PolarHBondContact O-N 3.34Å
148T29.7Very low29.7Very low114 Ų114151 Ų15170%0.69979%0.791SS**  trans-65.9117.5161.251.10000109.3Y146Y146-T148 VanDerWaalsContact C-N 3.25Å; Y146-T148 PolarHBondContact O-N 2.78Å
149N26.3Very low29.8Very low151 Ų151146.6 Ų146.681%0.80779%0.787SS**SBendtrans84.673.9177.3-44.7-76.5000116.9D147D147-N149 PolarHBondContact O-N 3.34Å
150L28.7Very low29.7Very low167 Ų167144.4 Ų144.487%0.87478%0.784SS**  trans-145.7134.9138.9-143.769.1000112.8
151C26.2Very low29.5Very low115 Ų115144.9 Ų144.978%0.77779%0.786SS**  trans-86.2168.2174-70.90000111.6
152S32.1Very low29.4Very low121 Ų121143.3 Ų143.385%0.84678%0.778SS**  trans76.884.1161.9-55.20000117.3K154S152-K154 PolarHBondContact O-N 3.48Å
153V27.6Very low29.3Very low139 Ų139143.4 Ų143.484%0.84278%0.776SS**  trans-57.4128.4162.1174.50000111.6
154K35Very low29.1Very low204 Ų204142.1 Ų142.189%0.88777%0.772SS**  trans-159.6144.2139.8-111.5161.6-172.7176.40112.7S152S152-K154 PolarHBondContact O-N 3.48Å
155Q29.6Very low29Very low170 Ų170142.7 Ų142.779%0.79477%0.772SS**  trans-67.5167.5-177.9-58.6164.1-6.200110.7
156K32.8Very low28.6Very low184 Ų184144.2 Ų144.280%0.878%0.782SS**  cis-167.914134-157.4172.9-171178.30111
157P27.4Very low28.5Very low120 Ų120142.3 Ų142.378%0.77978%0.783SS**  trans-87.3157.417535-34.5000113
158V33.1Very low28.7Very low148 Ų148142.3 Ų142.390%0.89779%0.787SS**  trans-132.6138.7162.9178.20000107.3
159A29.2Very low28.6Very low83 Ų83143.5 Ų143.569%0.68679%0.79SS**  trans-110.6166.3-167.500000113.7
160S27.4Very low28.9Very low105 Ų105144.7 Ų144.773%0.73479%0.788SS**  trans48116.6148.660.50000120.2
161E31.2Very low29.2Very low175 Ų175143.9 Ų143.982%0.81878%0.784SS**  -167122106.5-98.9168.3-170.500108
162Q27.6Very low29.4Very low158 Ų158145.3 Ų145.374%0.73878%0.782SS**  72.2124.984.6-72.7-156.620.400116.4
163M26.2Very low29.6Very low146 Ų146146.6 Ų146.672%0.71979%0.785SS**  trans73.4140.5142.4-76-166.3171.900123.2
164M26.1Very low29.8Very low148 Ų148144.7 Ų144.773%0.72978%0.778SS**  trans78.395.8137-76.2175.2-175.200122.2
165T25.6Very low29.8Very low113 Ų113143.3 Ų143.369%0.69377%0.772SS**  54.6122.6116.357.40000122
166T24.9Very low30Very low120 Ų120141.2 Ų141.274%0.73677%0.766SS**  trans68.8131.913754.90000121.8
167M24.3Very low30.1Very low170 Ų170136.1 Ų136.184%0.83776%0.758SS**  trans58.3113.2149-64.3178.6-177.200119.9
168T31.9Very low30.4Very low137 Ų137137.9 Ų137.984%0.8476%0.761SS**  -156136120.2-160000112.4
169D27.8Very low30.2Very low139 Ų139135 Ų13574%0.74375%0.748SS**  trans-79.2162.7173.6-52.3-92.1000113.6
170K33.1Very low30.2Very low177 Ų177138.5 Ų138.577%0.7775%0.753SS**  trans-166.7150.3134.1-100.1139.1-164.8168.60112.8
171N34.6Very low30.1Very low150 Ų150138 Ų13880%0.80276%0.755SS**  trans70.886.7-174.6-56.2-9.3000113.3
172I30.4Very low30Very low144 Ų144134.7 Ų134.774%0.73875%0.751SS**  cis61.892.838.1-45167.9000113.3
173V35.2Very low30.2Very low148 Ų148132.4 Ų132.490%0.89775%0.749SS**  -141.7144.6115.2172.20000106.4
174S31.8Very low30.3Very low99 Ų99132.2 Ų132.269%0.69275%0.749SS**  trans-120.2162-174.6-167.90000112.1
175K36.5Very low30.6Very low176 Ų176133.1 Ų133.177%0.76575%0.751SS**  trans154115.1145-82.3-147.4166.5-1610110.1
176D33.7Very low30.9Very low126 Ų126135.5 Ų135.567%0.67475%0.754SS**  77.4127.287.9-58.9-13.8000111.2
177A33.9Very low31.3Very low77 Ų77136.3 Ų136.364%0.63676%0.759SS**  cis-162172.5-6.400000110.6
178D34.2Very low31.6Very low157 Ų157132.1 Ų132.184%0.8475%0.751SS**  trans64160150.7-66-26.8000121.1
179S29Very low31.8Very low88 Ų88134.9 Ų134.962%0.61575%0.751SS**  cis-167.1150-34.6-167.60000110.1
180I28.4Very low32Very low156 Ų156134.4 Ų134.480%0.875%0.753SS**  trans46.8116154.8-67.3164.2000120.1
181A26.2Very low32Very low94 Ų94131.3 Ų131.378%0.77775%0.754SS**  trans22.2143.1143.400000123
182S29.4Very low32Very low105 Ų105128.7 Ų128.773%0.73475%0.748SS**  -177.2137.7114.9-162.40000114.3
183T31.4Very low32.1Very low111 Ų111126.5 Ų126.568%0.68175%0.745SS**  trans48.6103.9140.9-49.20000121.7
184I27.6Very low32.2Very low141 Ų141129.5 Ų129.572%0.72375%0.746SS**  26.5113.1120.5-44.6162.7000117.2
185H32.6Very low32.3Very low168 Ų168128.9 Ų128.978%0.77876%0.755SS**  -164.2146.2109.9-120.8-78.3000116.2
186E31.8Very low32.1Very low162 Ų162125.7 Ų125.776%0.75776%0.755SS**  trans-67.9144.9163.7162-173.4-136.400112.3
187V33.7Very low32.1Very low138 Ų138124 Ų12484%0.83675%0.753SS**  trans-172.4142.2131.4140.80000110.4
188A30.8Very low32Very low81 Ų81126.1 Ų126.167%0.66976%0.758SS**  trans-99163.4-177.600000113.4
189K34.9Very low31.8Very low196 Ų196125.3 Ų125.385%0.85276%0.759SS**  176.4157.4118.1-95.6163.3-173.61770114.4
190T32.8Very low32.1Very low128 Ų128126 Ų12679%0.78577%0.771SS**  trans10.7141.5149.760.40000119.5
191S33.9Very low32.3Very low112 Ų112128.9 Ų128.978%0.78378%0.777SS**  cis-168.5-159.81.848.90000107.5
192S34.2Very low32.7Very low96 Ų96129.5 Ų129.567%0.67178%0.776SS**  cis-161.5174.312.855.50000113.3
193S32.5Very low32.9Very low98 Ų98133.2 Ų133.269%0.68579%0.786SS**  trans40.5110.5151.755.40000122.8
194K37.7Very low33.1Very low211 Ų211136.1 Ų136.192%0.91779%0.79SS**  58.583.6129.3-61.6-177.6177-179.30119.8
195G33.3Very low33.3Very low85 Ų85135.2 Ų135.288%0.87679%0.791SS**  79.5118.497.400000120.8
196S31.7Very low33.5Very low110 Ų110136.5 Ų136.577%0.76979%0.794SS**  trans-152.5146.5144-173.80000111.6
197S33.8Very low33.6Very low90 Ų90138 Ų13863%0.62980%0.798SS**  trans45.5125.1147.259.50000123
198T31.6Very low33.8Very low121 Ų121136.9 Ų136.974%0.74280%0.796SS**  trans68.996.6134.655.60000121.7
199T30.9Very low33.9Very low140 Ų140139.9 Ų139.986%0.85980%0.801SS**  49.3107.3124.3560000120.8
200A34.6Very low34Very low104 Ų104135.9 Ų135.986%0.8680%0.795SS**  trans-136.3141.4142.300000109.6
201K32.8Very low34.2Very low216 Ų216136.8 Ų136.894%0.93980%0.801SS**  trans-89127178.9-66.2176.2-179.7175.40110.4
202S35.7Very low34Very low107 Ų107139 Ų13975%0.74880%0.798SS**  trans-160.2117.5154.6-161.30000110.7
203L33.1Very low33.9Very low182 Ų182141.4 Ų141.495%0.95380%0.799SS**  trans-104.9118.2178.9-155.981.1000108.8
204K35Very low33.9Very low173 Ų173144.2 Ų144.275%0.75280%0.801SS**  trans-141.4116.6-179.2-93.6-168173.8-179.20114.9
205T32.7Very low33.6Very low121 Ų121139.1 Ų139.174%0.74279%0.792SS**  trans73.8158.3138.265.80000121.6
206K36.8Very low33.3Very low195 Ų195140.4 Ų140.485%0.84879%0.786SS**  trans86.2112.3175.7-55.5-177.3-178.8-177.60113.7
207K33.1Very low33.2Very low195 Ų195144.3 Ų144.385%0.84879%0.789SS**  cis77.487.718.5-163.6-169176.1177.70116.7
208S37.6Very low33.2Very low113 Ų113144.5 Ų144.579%0.7980%0.797SS**  trans171.8154.7147.449.50000108.3
209N33Very low33Very low145 Ų145144.3 Ų144.378%0.77580%0.795SS**  cis-150.5162-31.2-13231.5000107.5
210P37.8Very low33.1Very low112 Ų112143.2 Ų143.273%0.72779%0.788SS**  trans-88.3159.5-178.535.7-34.6000113.4
211T36.6Very low33.1Very low147 Ų147146.1 Ų146.190%0.90278%0.784SS**  trans-135.5149.9165-320000109.6
212H29.8Very low32.8Very low157 Ų157140.9 Ų140.973%0.72777%0.774SS**  trans-110.5-179.3-170-164.7-109.7000110.6
213H31.8Very low32.8Very low148 Ų148141.9 Ų141.969%0.68578%0.781SS**  trans73.5150.2174.1-63-90.2000117.6
214E32.9Very low32.7Very low157 Ų157138.5 Ų138.573%0.73477%0.773SS**  cis-170.6132.9-17.8172.9167.8177.500113.4
215S30.3Very low33.1Very low104 Ų104136 Ų13673%0.72777%0.774SS**  trans52.3176147.1-147.40000124.2
216C27.3Very low33.5Very low111 Ų111135.9 Ų135.975%0.7578%0.775SS**  trans74.576.2157.2-69.40000122.4
217K29.9Very low33.4Very low192 Ų192132 Ų13284%0.83577%0.773SS**  41.4112.2106.4-172.9-175.1-179.4-178.60119.9V219K217-V219 HydrophobicContact CG-CG2 4.29Å
218A33.1Very low33.7Very low95 Ų95127.6 Ų127.679%0.78577%0.767SS**  trans-138136.614400000107.4
219V27.5Very low33.7Very low117 Ų117129 Ų12971%0.70977%0.765SS**  cis77.2114.534.6-175.20000113.2K217K217-V219 HydrophobicContact CG-CG2 4.29Å
220V33.8Very low34Very low117 Ų117129.1 Ų129.171%0.70977%0.765SS**  trans16097159.8151.20000105.6
221E33.9Very low33.9Very low165 Ų165128.3 Ų128.377%0.77176%0.761SS**  69.3103.1107.9-66.1174.5145.400113.5
222S27.8Very low33.8Very low106 Ų106126.8 Ų126.874%0.74176%0.757SS**  80111.361.2760000115.1
223S36.2Very low34.2Very low127 Ų127124.1 Ų124.189%0.88876%0.756SS**  trans-149.8145.514846.80000109.9
224S30Very low34.5Very low111 Ų111122.8 Ų122.878%0.77676%0.758SS**  trans-110.3164.2-159.3-56.40000112.4
225P44.4Very low34.7Very low122 Ų122121.5 Ų121.579%0.79276%0.761SS**  trans-74.2175.517634.8-38.7000111.8
226P41.1Very low35.2Very low117 Ų117122.1 Ų122.176%0.7676%0.762SS**  -154.5-169.5107.841.3-23.9000115.8
227S34.6Very low35.6Very low115 Ų115126 Ų12680%0.80477%0.77SS**  trans78.4143.1168.785.20000115.3
228S38.3Very low35.9Very low102 Ų102121.6 Ų121.671%0.71376%0.762SS**  cis-157166.18.952.20000109.8
229L38.2Very low36Very low142 Ų142124.2 Ų124.274%0.74376%0.763SS**  cis-170.3149.5-17.9-105.1171000108.7
230L38.1Very low36.4Very low148 Ų148125.2 Ų125.278%0.77576%0.764SS**  trans65.6152155-55.4159.7000118.5
231S36.8Very low36.4Very low94 Ų94126 Ų12666%0.65776%0.764SS**  cis-167.9157.7-15.7-104.80000113.4
232S34.9Very low36.5Very low115 Ų115122.1 Ų122.180%0.80476%0.755SS**  trans57.4128.6156.2-75.30000121
233S37.3Very low37Very low102 Ų102127.5 Ų127.571%0.71376%0.761SS**  84.1142.861.9-156.20000112.5
234T38.9Very low37.1Very low119 Ų119127.5 Ų127.573%0.7375%0.749SS**  cis-154.4144.820.5-34.90000112.7
235V37.4Very low37.5Very low130 Ų130127.4 Ų127.479%0.78875%0.749SS**  trans33.7139.6150.1177.90000123.2
236P39.8Very low37.1Very low117 Ų117128.1 Ų128.176%0.7675%0.751SS**  trans-109168.5171.141.8-34.1000115.4
237E37Very low37Very low194 Ų194127.8 Ų127.891%0.90775%0.749SS**  trans-153.8-169.8154.6-138172.1-168.900114
238S34.6Very low37.1Very low98 Ų98129.2 Ų129.269%0.68575%0.753SS**  trans-154.8-164-154.469.30000116
239L35Very low36.9Very low151 Ų151130.2 Ų130.279%0.79176%0.757SS**  trans98.4156.2165.8-58.8171.9000120.4
240N37.4Very low36.9Very low138 Ų138126.6 Ų126.674%0.73875%0.754SS**  trans69.6154.7163-74.5-24.1000120.7
241N33Very low36.7Very low134 Ų134125.8 Ų125.872%0.71776%0.755SS**  cis-170.1153.1-46.9-122.3-24000111.8
242S35.4Very low36.5Very low82 Ų82126.3 Ų126.357%0.57376%0.758SS**  trans29.7111.6143174.70000121.7
243Y38.7Very low36.4Very low220 Ų220127.1 Ų127.186%0.86376%0.759SS**  trans-155.9152.7137.3-79.3-80.3000110
244I38.2Very low36.1Very low126 Ų126128.2 Ų128.265%0.64676%0.761SS**  cis-165171.7-44.1-125.8167.8000109.6
245S39.1Very low35.8Very low110 Ų110128 Ų12877%0.76976%0.762SS**  trans75.4120168.1-68.50000120.7
246T36Very low35.5Very low137 Ų137130.6 Ų130.684%0.8477%0.765SS**  trans-105.8-146.3163.943.70000109.4
247P39.7Very low35.2Very low110 Ų110129.3 Ų129.371%0.71477%0.765SS**  -125.5170.9-88.338.2-22.9000114.9
248V34.8Very low35Very low145 Ų145128.2 Ų128.288%0.87976%0.764SS**  trans-142.2128.8157.1-174.50000110.5
249P35.8Very low34.7Very low123 Ų123130.6 Ų130.680%0.79977%0.769SS**  trans-107.4162178.539.1-33.1000114.4
250G36.9Very low34.6Very low66 Ų66130.2 Ų130.268%0.6877%0.773SS**  trans-175.5138.1167.500000114.6
251T34.3Very low34.2Very low130 Ų130130.1 Ų130.180%0.79878%0.777SS**  trans43.7114.5162.856.30000118.8
252S32.5Very low34.2Very low105 Ų105127 Ų12773%0.73478%0.777SS**  60.3137.963.486.20000113.5
253V33.5Very low33.9Very low133 Ų133128.7 Ų128.781%0.80678%0.779SS**  cis-142.6157.515.9-171.90000110.6
254T30.1Very low33.8Very low125 Ų125125.9 Ų125.977%0.76778%0.779SS**  trans-71.9167.2171.9-10.50000113.7
255P33.4Very low33.8Very low114 Ų114125.4 Ų125.474%0.7478%0.778SS**  -143.7165.9106.439.5-26.4000116.8
256Q30.9Very low33.4Very low185 Ų185123.6 Ų123.686%0.86478%0.777SS**  trans-40.6146.9171.2-60151-32.400116.4
257A33.2Very low33.2Very low90 Ų90124 Ų12474%0.74477%0.769SS**  -167.3142.4102.300000112.9
258L32.1Very low32.8Very low171 Ų171130.6 Ų130.690%0.89578%0.78SS**  trans56.593.2161.5-76.9150.2000118.7
259D28.1Very low32.8Very low148 Ų148130 Ų13079%0.79177%0.771SS**  trans-52.5135.6147.7-65.7-83.5000111.8
260T33.9Very low32.5Very low142 Ų142129.5 Ų129.587%0.87177%0.769SS**  -136136.5128.131.70000109.2G262T260-G262 PolarHBondContact O-N 3.19Å
261T28.5Very low32.3Very low136 Ų136131.1 Ų131.183%0.83478%0.776SS**  trans-82.798.2-167.7-37.30000111.2
262G33.3Very low32Very low68 Ų68130.5 Ų130.570%0.70177%0.768SS**  trans-95.2101.2170.800000111.4T260 D264T260-G262 PolarHBondContact O-N 3.19Å; G262-D264 VanDerWaalsContact C-N 3.3Å; G262-D264 PolarHBondContact O-N 2.89Å; G262-D264 VanDerWaalsContact O-N 3.07Å
263N28.5Very low32.2Very low118 Ų118133 Ų13363%0.63177%0.771SS**  trans-83.967.3-178.9-164.4114.5000111.4D265N263-D265 PolarHBondContact ND2-OD2 3.39Å
264D37.3Very low32.1Very low161 Ų161134.3 Ų134.386%0.86177%0.766SS**  trans-98.678.6166.6-74.7-36.4000109G262 G266G262-D264 VanDerWaalsContact C-N 3.3Å; G262-D264 PolarHBondContact O-N 2.89Å; G262-D264 VanDerWaalsContact O-N 3.07Å; D264-G266 PolarHBondContact O-N 3.07Å
265D37.5Very low32.3Very low117 Ų117134.3 Ų134.363%0.62677%0.766SS**  trans-62.8106.9175.6-72.8-50.9000109.6N263 E267N263-D265 PolarHBondContact ND2-OD2 3.39Å; D265-E267 PolarHBondContact O-N 3.23Å
266G30.3Very low32.3Very low71 Ų71134.7 Ų134.773%0.73277%0.766SS**  trans-72.349.2-177.400000114.5D264 W268D264-G266 PolarHBondContact O-N 3.07Å; G266-W268 VanDerWaalsContact C-N 3.3Å; G266-W268 PolarHBondContact O-N 3.49Å
267E33.3Very low32.7Very low147 Ų147136.7 Ų136.769%0.68777%0.766SS**  trans-82.275.3178.1-69.9-154.3-175.900111.8D265 L269D265-E267 PolarHBondContact O-N 3.23Å; E267-L269 HydrophobicContact CB-CD1 4.47Å; E267-L269 HydrophobicContact CB-CG 4.16Å; E267-L269 PolarHBondContact O-N 3.13Å; E267-L269 WeakPolarHBondContact OE2-CD1 3.36Å
268W31.5Very low32.8Very low248 Ų248142.2 Ų142.294%0.93977%0.767SS**  trans-63.865.8156.7-8359.7000110.5G266 C270G266-W268 VanDerWaalsContact C-N 3.3Å; G266-W268 PolarHBondContact O-N 3.49Å; W268-C270 PolarHBondContact O-N 3Å
269L34.7Very low33Very low133 Ų133144.7 Ų144.770%0.69677%0.765SS**  trans-92.398.3175.8-71.4-173.4000110.8E267 A271E267-L269 HydrophobicContact CB-CD1 4.47Å; E267-L269 HydrophobicContact CB-CG 4.16Å; E267-L269 PolarHBondContact O-N 3.13Å; E267-L269 WeakPolarHBondContact OE2-CD1 3.36Å; L269-A271 PolarHBondContact O-N 3.29Å; L269-A271 VanDerWaalsContact O-N 3.1Å
270C29.3Very low33.3Very low112 Ų112149.1 Ų149.176%0.75777%0.77SS**  trans-57.7113.9166-55.10000109.8W268 N272W268-C270 PolarHBondContact O-N 3Å; C270-N272 PolarHBondContact O-N 3.47Å
271A32.2Very low33.4Very low99 Ų99153.8 Ų153.882%0.81877%0.772SS**  trans-6779.3170.200000110.3L269 I273L269-A271 PolarHBondContact O-N 3.29Å; L269-A271 VanDerWaalsContact O-N 3.1Å; A271-I273 VanDerWaalsContact C-N 3.35Å; A271-I273 PolarHBondContact O-N 3.03Å
272N28.8Very low33.8Very low117 Ų117153.7 Ų153.763%0.62677%0.766SS**  trans-7581-174-172.2-14.8000110.6C270 K274C270-N272 PolarHBondContact O-N 3.47Å; N272-K274 WeakPolarHBondContact O-CB 3.46Å; N272-K274 PolarHBondContact O-N 2.91Å; N272-K274 VanDerWaalsContact O-N 3.12Å
273I35.9Very low34Very low157 Ų157157.5 Ų157.581%0.80577%0.77SS**  trans-68.3106.4168.3-62-177.6000107.7A271A271-I273 VanDerWaalsContact C-N 3.35Å; A271-I273 PolarHBondContact O-N 3.03Å
274K31.3Very low34.6Very low162 Ų162158.1 Ų158.170%0.70477%0.774SS**  trans-113.475.6-154.7-169-179.8-179.2179.80112.6N272N272-K274 WeakPolarHBondContact O-CB 3.46Å; N272-K274 PolarHBondContact O-N 2.91Å; N272-K274 VanDerWaalsContact O-N 3.12Å
275T34.8Very low34.7Very low125 Ų125158 Ų15877%0.76777%0.773SS**  trans-114.393.1171.537.50000108.8
276V33.6Very low34.9Very low121 Ų121161.1 Ų161.173%0.73378%0.781SS**  57.111285.5179.50000110
277R38.2Very low35.5Very low227 Ų227164 Ų16486%0.85778%0.78SS**  cis-157135.349.4-166.8172.2174105.2-9.9115.2
278R37Very low35.9Very low207 Ų207165 Ų16578%0.78179%0.788SS**  trans-2.5132.3161.3-69.5174.6169.5174.7-3.5121.7
279R34.6Very low36.3Very low223 Ų223161 Ų16184%0.84278%0.777SS**  48.6142.2118.8-53.1176.2-178.9175.7-2118.8
280R35.8Very low36.4Very low241 Ų241163 Ų16391%0.90978%0.783SS**  cis-151.4157.243.9-73.6174.5160.1157.9-7.2112.9
281R35.9Very low36.8Very low240 Ų240165.6 Ų165.691%0.90679%0.789SS**  trans-81.5147.9151.9-70.2178.3177.2146.8-1.7109.3
282N35.6Very low37.2Very low134 Ų134170 Ų17072%0.71780%0.795SS**  trans-138.997157.6-175.832.6000110
283N38.8Very low37.7Very low147 Ų147168.9 Ų168.979%0.78680%0.796SS**  trans-89.899.2162.6-75.420.1000106.9
284N40.4Very low37.7Very low131 Ų131167.5 Ų167.570%0.70180%0.795SS**  trans-167.8106.2160.7-99.3-19.6000110
285N38.7Very low38Very low159 Ų159167.5 Ų167.585%0.8580%0.803SS**  trans-154.786.1141.6-125.339.7000107.6
286K42.2Very low38.1Very low182 Ų182168.2 Ų168.279%0.79180%0.802SS**  trans-84.3168.9147.1-72.7-176.4177.1-179.20107.1
287D43.9Very low38.5Very low132 Ų132170 Ų17071%0.70681%0.807SS**  trans69142.2-169.4-44.7-42.6000111.2
288I39.9Very low38.4Very low169 Ų169166.1 Ų166.187%0.86780%0.804SS**  cis-115.8155.619.5-71.3164.6000111.9
289K40.8Very low38.8Very low163 Ų163163.8 Ų163.871%0.70981%0.807SS**  trans-86.2159.1178.1-60.4173.3-176.5171.30111.9
290Q36Very low38.9Very low176 Ų176160.1 Ų160.182%0.82280%0.804SS**  trans34.8119142.1-66.5171-28.200119
291L39.2Very low39.3Very low166 Ų166154.6 Ų154.687%0.86980%0.796SS**  -157.3139.7122.4-107.4164.4000109.9
292M40Very low39.6Very low191 Ų191150 Ų15094%0.94179%0.785SS**  trans-122.9106173.8-92.5-174.6162.200108.9
293S38.9Very low40Very low94 Ų94150.6 Ų150.666%0.65779%0.787SS**  trans-175.5108.4160.448.80000105.2
294T36.8Very low40Very low127 Ų127149.1 Ų149.178%0.77978%0.779SS**  56.991.582.3-50.20000111
295D37.7Very low39.8Very low162 Ų162150.8 Ų150.887%0.86679%0.788SS**  trans-137.3133.7139.6-107.1-37.2000107.8
296N36.2Very low39.9Very low141 Ų141148.4 Ų148.475%0.75478%0.779SS**  trans-92.7137.6171.3-66.4-31.9000107.7
297N41.4Very low39.5Very low158 Ų158148.7 Ų148.785%0.84578%0.78SS**  -158.9153.8129.2-106.3-17.6000111.5
298N37.6Very low39.2Very low146 Ų146150.4 Ų150.478%0.78179%0.789SS**  trans-74.8135.5164-56-23.9000107.8
299D43.9Very low38.9Very low157 Ų157151.2 Ų151.284%0.8479%0.789SS**  trans-127109.8150.8-90.5-49.7000107.2V301D299-V301 PolarHBondContact O-N 3.44Å; D299-V301 VanDerWaalsContact O-N 3.13Å
300D37.2Very low38.4Very low146 Ų146146 Ų14678%0.78178%0.781SS**  trans-67.1104.3174.8-86.7-61.5000109.9H302D300-H302 PolarHBondContact O-N 3.25Å
301V44.6Very low38.4Very low125 Ų125146 Ų14676%0.75878%0.781SS**  trans-89.672.5159.9-171.80000108.1D299 I303D299-V301 PolarHBondContact O-N 3.44Å; D299-V301 VanDerWaalsContact O-N 3.13Å; V301-I303 HydrophobicContact CG1-CG1 4.23Å; V301-I303 PolarHBondContact O-N 3.03Å
302H42Very low38.1Very low143 Ų143144.3 Ų144.366%0.66278%0.777SS**  trans-64.294.3173.6-170.4-56.1000109.6D300 D304D300-H302 PolarHBondContact O-N 3.25Å; H302-D304 IonicContact CE1-OD1 3.39Å; H302-D304 PolarHBondContact CE1-OD1 3.28Å; H302-D304 IonicContact ND1-OD1 3.11Å; H302-D304 PolarHBondContact ND1-OD1 2.66Å; H302-D304 PolarHBondContact O-N 3.18Å
303I43.4Very low37.9Very low148 Ų148143 Ų14376%0.75977%0.773SS**  trans-83.7112.1169.5-60.4-179.8000107.1V301 D305V301-I303 HydrophobicContact CG1-CG1 4.23Å; V301-I303 PolarHBondContact O-N 3.03Å; I303-D305 PolarHBondContact O-N 2.78Å
304D39.2Very low37.8Very low116 Ų116145.7 Ų145.762%0.6278%0.775SS**  trans-61.8116-174.4-90.1-44.9000113.4H302 T306H302-D304 IonicContact CE1-OD1 3.39Å; H302-D304 PolarHBondContact CE1-OD1 3.28Å; H302-D304 IonicContact ND1-OD1 3.11Å; H302-D304 PolarHBondContact ND1-OD1 2.66Å; H302-D304 PolarHBondContact O-N 3.18Å; D304-T306 PolarHBondContact O-N 2.74Å
305D37Very low37.8Very low166 Ų166145.4 Ų145.489%0.88878%0.776SS**  trans-7173155.4-94.8-36.8000109.5I303I303-D305 PolarHBondContact O-N 2.78Å
306T39.5Very low37.7Very low108 Ų108146 Ų14666%0.66377%0.773SS**  trans-161.5146.8157.92.10000114D304D304-T306 PolarHBondContact O-N 2.74Å
307K34.4Very low37.5Very low188 Ų188144.5 Ų144.582%0.81777%0.771SS**  trans65.973.4168.3-57.7179.1-175.7176.60117
308L36.8Very low37.2Very low169 Ų169144.7 Ų144.789%0.88577%0.77SS**  trans-141.180.2139.3-113.4158.9000110.1
309E34.3Very low37.1Very low186 Ų186146.3 Ų146.387%0.86977%0.773SS**  trans-65.8138165.5-77.1171.490.300110.4
310G31.4Very low36.4Very low53 Ų53147.1 Ų147.155%0.54678%0.777SS.*  trans70.7119.3173.700000113.7
311H35.5Very low36.2Very low177 Ų177145.1 Ų145.182%0.81977%0.774SS**  -155.7128.954.5-92.3-87.4000112.1L313H311-L313 PolarHBondContact O-N 3.31Å
312V32Very low35.8Very low129 Ų129145.4 Ų145.478%0.78278%0.782SS**  trans-74.3103.1162.7178.50000108.1Q314V312-Q314 HydrophobicContact CG1-CG 4.05Å; V312-Q314 PolarHBondContact O-N 3.48Å
313L36.7Very low35.3Very low163 Ų163143.7 Ų143.785%0.85378%0.781SS**  trans-8487.6165.9-70.4178.1000109.4H311H311-L313 PolarHBondContact O-N 3.31Å
314Q36.8Very low34.9Very low151 Ų151145.6 Ų145.671%0.70679%0.789SS**PPolyproline II helixtrans-60.1150.4165.1-81.5175.3-33.800110.7V312 Q316V312-Q314 HydrophobicContact CG1-CG 4.05Å; V312-Q314 PolarHBondContact O-N 3.48Å; Q314-Q316 PolarHBondContact O-N 3.24Å
315P36.5Very low34.6Very low122 Ų122146.2 Ų146.279%0.79280%0.796SS**PPolyproline II helixtrans-62.6120.6159.5-10.826.2000108.4P317P315-P317 WeakPolarHBondContact O-CD 3.44Å
316Q34.7Very low34.5Very low174 Ų174142.8 Ų142.881%0.81379%0.791SS**PPolyproline II helixtrans-70.2127.1-178.8-71.1-177-7.700111.9Q314Q314-Q316 PolarHBondContact O-N 3.24Å
317P32Very low34.3Very low109 Ų109147 Ų14771%0.70880%0.804SS**PPolyproline II helixtrans-76.2137.3144.133.2-29.3000108.8P315 E319P315-P317 WeakPolarHBondContact O-CD 3.44Å; P317-E319 PolarHBondContact O-N 3.11Å
318I35.5Very low34.4Very low162 Ų162146.4 Ų146.483%0.83180%0.801SS**  trans-88.5104.3174.7-60.6174.5000108.1
319E34.9Very low34.2Very low180 Ų180145.6 Ų145.684%0.84180%0.798SS**  trans-90.5156.8169.8-72.9-155.7148.900112.7P317P317-E319 PolarHBondContact O-N 3.11Å
320L30.8Very low34.2Very low175 Ų175142.4 Ų142.492%0.91680%0.795SS**  trans-88.6124.1-178.3-67.6146.9000111.3
321S33.3Very low34.4Very low103 Ų103147.5 Ų147.572%0.7281%0.805SS**  trans-165.8139.8144.5-144.30000114.2V323S321-V323 WeakPolarHBondContact OG-CG2 3.38Å
322S35.6Very low34.3Very low132 Ų132146.9 Ų146.992%0.92380%0.802SS**  trans-143.7129.6156.8-84.10000107.6
323V31.8Very low34.4Very low106 Ų106149.4 Ų149.464%0.64280%0.803SS**  trans-128.2132.5-157.9167.40000112.5S321 V325S321-V323 WeakPolarHBondContact OG-CG2 3.38Å; V323-V325 HydrophobicContact CG1-CG2 3.63Å
324M34.8Very low34.5Very low189 Ų189147.3 Ų147.393%0.93180%0.802SS**  trans-152.2112.4148.6-67-162.5-66.900106.7
325V31.8Very low34.3Very low128 Ų128147.4 Ų147.478%0.77681%0.807SS**  7898.554.4178.90000114V323V323-V325 HydrophobicContact CG1-CG2 3.63Å
326A35.2Very low34.4Very low95 Ų95147.5 Ų147.579%0.78581%0.811SS**  trans164.4147.9142.300000109.6
327E36.3Very low34.3Very low197 Ų197144.7 Ų144.792%0.92181%0.805SS**  cis-149.7179.6-34.4-172.3157.4-177.100108.2
328K35.3Very low34.6Very low175 Ų175147.5 Ų147.576%0.76181%0.809SS**  trans-85.3156.8-166.7-88.3178.1175.8171.30116.6
329N32.8Very low34.6Very low152 Ų152145.3 Ų145.381%0.81380%0.799SS**  trans67.1142.1153.8-59.2-6.7000116.1
330S35.3Very low34.8Very low118 Ų118144 Ų14483%0.82580%0.796SS**  cis-153-167.848.1-162.10000114.1
331Q34.3Very low34.9Very low161 Ų161140.6 Ų140.675%0.75279%0.787SS**  trans-98.3179.3-166.4-63174.8-46.400115
332H35Very low35Very low163 Ų163140.1 Ų140.176%0.75578%0.784SS**  trans82.1117.1172.7-57.8-94.3000115.7
333K33.1Very low35.1Very low183 Ų183141.6 Ų141.680%0.79678%0.781SS**  cis82.696.933.3-168.6-171.2-179.2-179.80113.9
334S39.5Very low35.1Very low119 Ų119142.9 Ų142.983%0.83279%0.785SS**  trans-170.6154134.1-82.90000113.1
335N32.8Very low35.1Very low152 Ų152142.4 Ų142.481%0.81378%0.777SS**  trans-75.7163.4-170.5-40.3-24000113.8
336S37Very low35Very low124 Ų124145.3 Ų145.387%0.86778%0.782SS**  -155.3163.7121.2-158.20000111.4
337T32.5Very low34.8Very low115 Ų115149.5 Ų149.571%0.70678%0.779SS**  trans-121.9146.9-166.1-50.20000111.5
338H38.3Very low34.4Very low169 Ų169145.9 Ų145.978%0.78278%0.776SS**  trans151.2142.7153.1-92.6-76.3000108.7
339D36.4Very low34.2Very low115 Ų115145.5 Ų145.562%0.61578%0.779SS**  cis-170.3165.7-16.3-149.5-11.6000110.6
340I38.4Very low34.1Very low152 Ų152145.1 Ų145.178%0.77978%0.782SS**  trans46.8145.6164.419.7175.9000119.2
341S33.5Very low33.9Very low105 Ų105142.2 Ų142.273%0.73477%0.771SS**  cis-146.1144.77.8-174.70000111.1
342S35.8Very low33.6Very low93 Ų93142.4 Ų142.465%0.6577%0.772SS**  trans-78157.9167.951.50000112.1
343N37.4Very low33.3Very low162 Ų162140.1 Ų140.187%0.86677%0.765SS**  -158.3131.1129.2-120.6-29.9000110.6
344D32.7Very low33.2Very low134 Ų134138.2 Ų138.272%0.71776%0.762SS**  trans-76.9157.4-178-56.7-84000112.8
345K34.7Very low33Very low179 Ų179139.2 Ų139.278%0.77876%0.757SS**  -173.1115.9110.2-97.6153.9-168.61750113Y347K345-Y347 HydrophobicContact CB-CD2 4.22Å; K345-Y347 HydrophobicContact CD-CD2 4.35Å; K345-Y347 HydrophobicContact CD-CE2 4.3Å; K345-Y347 HydrophobicContact CG-CD2 4.01Å; K345-Y347 HydrophobicContact CG-CE2 4.06Å
346Q28.5Very low33Very low189 Ų189138.4 Ų138.488%0.88375%0.752SS**  trans-65.4130144.5-68.9178.4-35.700108.3
347Y30.9Very low33Very low182 Ų182138 Ų13871%0.71475%0.75SS**  trans-145.9113.6151.2-96.1-75.2000109.4K345 M349K345-Y347 HydrophobicContact CB-CD2 4.22Å; K345-Y347 HydrophobicContact CD-CD2 4.35Å; K345-Y347 HydrophobicContact CD-CE2 4.3Å; K345-Y347 HydrophobicContact CG-CD2 4.01Å; K345-Y347 HydrophobicContact CG-CE2 4.06Å; Y347-M349 HydrophobicContact CD1-CE 4.14Å; Y347-M349 HydrophobicContact CE1-CE 4.46Å
348S28.4Very low33.2Very low122 Ų122141.3 Ų141.385%0.85375%0.754SS**  trans-78.4124.9156.3-64.40000107.5
349M31.8Very low33.2Very low166 Ų166138.7 Ų138.782%0.81875%0.75SS**  trans-148.5149.3160.1-144.5164-70.700111.1Y347Y347-M349 HydrophobicContact CD1-CE 4.14Å; Y347-M349 HydrophobicContact CE1-CE 4.46Å
350T30.7Very low33.2Very low144 Ų144139.5 Ų139.588%0.88376%0.755SS**  trans-96.7138.9-170.8-50.50000110.2
351G29.8Very low33.1Very low58 Ų58139.5 Ų139.560%0.59875%0.752SS**  trans93153.3151.400000118
352Q28.1Very low33.2Very low164 Ų164140 Ų14077%0.76675%0.746SS**  trans62.4129.5153.1-9539.347.200122.1
353D28.8Very low33.3Very low116 Ų116142.6 Ų142.662%0.6275%0.752SS**  trans73107.4142.4-53.5-14.7000119
354I30.7Very low33.1Very low143 Ų143143 Ų14373%0.73375%0.748SS**  76.2152.281.9-58.8155.6000112.6
355I35Very low33Very low140 Ų140142.3 Ų142.372%0.71875%0.751SS**  trans112.884.8162.4-53.7-174.7000116.2
356N33.4Very low32.7Very low134 Ų134141.5 Ų141.572%0.71776%0.755SS**  54.8123.1123.7-52.5-13.7000122
357S37.3Very low32.8Very low117 Ų117137.1 Ų137.182%0.81875%0.746SS**  -173.6141.7110.826.60000111.8
358K37.2Very low32.8Very low183 Ų183133 Ų13380%0.79674%0.743SS**  cis-167.7142.9-13.8-134.4-179.8-176.7-179.10109.8
359T37Very low32.9Very low114 Ų114135.6 Ų135.670%0.69974%0.742SS**  trans46.8131147.645.10000120.1
360N37.2Very low32.8Very low132 Ų132136.4 Ų136.471%0.70674%0.744SS**  cis-136.5143.529.5-89.2-11.9000110.3
361E35.6Very low32.6Very low153 Ų153135.8 Ų135.872%0.71574%0.743SS**  57.9132.981.9-66.2-162173.600114.5
362N36Very low32.5Very low115 Ų115138.9 Ų138.962%0.61575%0.75SS**  cis-162.3153.53-121.5-31.8000112
363L38.6Very low32.4Very low147 Ų147136.7 Ų136.777%0.7775%0.748SS**  trans62.8147.3167.8-51.4163.8000116.7
364E33.5Very low32.4Very low170 Ų170139.7 Ų139.779%0.79476%0.758SS**  cis-148.7156.1-16.2-121.3178.1155.200107.7
365P30.1Very low32.1Very low121 Ų121138.3 Ų138.379%0.78676%0.76SS**  trans-96.8142.4-170.136-31.2000113.6
366D27.8Very low31.8Very low161 Ų161136.7 Ų136.786%0.86176%0.76SS**  trans-152154.3154.5-150.3-13.8000112.5
367S30.5Very low31.4Very low98 Ų98138.4 Ų138.469%0.68577%0.769SS**  trans41.999.8162.9-169.10000118.9
368S30.8Very low31Very low94 Ų94142.4 Ų142.466%0.65777%0.772SS**  169.8160.798.651.80000113.7
369H31.4Very low30.4Very low178 Ų178140.6 Ų140.682%0.82478%0.776SS**  trans12.8135.3163.4-39.5-52.9000119.4
370Q29.4Very low30.1Very low183 Ų183139.6 Ų139.686%0.85577%0.774SS**  cis-165.7147.630.1-165.3162.5-2.800110.2
371C27.3Very low29.6Very low130 Ų130138 Ų13888%0.87877%0.774SS**  trans-78.4151.4-177.8-157.70000113.1
372V26.5Very low29.4Very low123 Ų123137.5 Ų137.575%0.74577%0.774SS**  trans-107.5123.9-173.2171.40000110.8
373V26.9Very low28.9Very low119 Ų119139.3 Ų139.372%0.72178%0.782SS**  trans43.197.4158.3-175.80000116.6
374E27.1Very low28.7Very low178 Ų178140.5 Ų140.583%0.83278%0.784SS**  trans-93.6112.8161.9-173171-166.800111.1C376E374-C376 HydrophobicContact CG-CB 4.46Å
375C24.5Very low28.4Very low114 Ų114139.9 Ų139.977%0.7779%0.786SS**  trans-10598.4171.4-72.60000110.8
376C29.3Very low28.7Very low106 Ų106140.8 Ų140.872%0.71678%0.783SS**  trans-133.974.8178.4-96.90000114.4E374 K378E374-C376 HydrophobicContact CG-CB 4.46Å; C376-K378 PolarHBondContact O-N 2.87Å
377N25.8Very low28.8Very low170 Ų170141 Ų14191%0.90978%0.784SS**  trans-83.596.6155-95.2-30000109.2
378K28.9Very low28.8Very low202 Ų202140.1 Ų140.188%0.87878%0.778SS**  trans-160.4133.2162.7-117.8163.8-171.7175.80114.5C376C376-K378 PolarHBondContact O-N 2.87Å
379T23.7Very low28.8Very low144 Ų144140.5 Ų140.588%0.88378%0.781SS**  trans-93.2119.4174.848.20000111.9
380S31.2Very low28.7Very low93 Ų93139.4 Ų139.465%0.6578%0.78SS**  trans-162.4128.4157.4-160.20000105.3
381S26.7Very low28.7Very low100 Ų100139.1 Ų139.170%0.69978%0.776SS**  cis62.1143.945.183.10000113.7
382I30.9Very low28.7Very low142 Ų142140.8 Ų140.873%0.72877%0.768SS**  trans79.198.1-164.1-51.3163.4000110.2
383I26.8Very low28.8Very low152 Ų152142.4 Ų142.478%0.77977%0.768SS**  73.9109.761.9-59.2160.5000112.2
384E33Very low29Very low172 Ų172142 Ų14280%0.80477%0.77SS**  -155.5136.7120.3-147.4158.9-145.300111.9
385N27.3Very low29.3Very low157 Ų157137.8 Ų137.884%0.8476%0.76SS**  trans-93.8128.7168.2-86.6-5.9000108.2
386I36.4Very low29.7Very low141 Ų141138.4 Ų138.472%0.72376%0.761SS**  trans-132.873.2156.4-49.7-178.9000108.9
387D30Very low30Very low165 Ų165140.6 Ų140.688%0.88276%0.76SS**  trans-99.292.7160.8-17613.2000107.7
388S30.1Very low30.6Very low79 Ų79139.7 Ų139.755%0.55275%0.75SS**  trans-154.6110.1-177.3650000114.7
389S30.9Very low30.8Very low103 Ų103134.3 Ų134.372%0.7274%0.738SS**  76.9127.5126.5-64.30000121.7
390L30.1Very low31.4Very low154 Ų154133.9 Ų133.981%0.80673%0.73SS**  trans66121.5157.7-7777.5000116.9
391K28.3Very low31.6Very low178 Ų178138 Ų13877%0.77474%0.736SS**  cis729844.6-167.1-168.1-173.7173.40112.8
392K28.9Very low31.9Very low165 Ų165140.5 Ų140.572%0.71774%0.742SS**  trans138.9130.3140.7-77.4-154.3-167.8179.20114.5
393Q28.8Very low32.2Very low157 Ų157138.9 Ų138.973%0.73474%0.74SS**  trans74.6135.9137.8-69.3177.4-8700122.3
394S29.9Very low32.7Very low111 Ų111136.4 Ų136.478%0.77674%0.736SS**  trans68.1154.9149.678.60000117.9
395S33.3Very low32.6Very low89 Ų89134.9 Ų134.962%0.62274%0.738SS**  cis-157.8133.66.5-7.50000111.5
396T33.1Very low33Very low127 Ų127132.5 Ų132.578%0.77973%0.732SS**  trans60.3160.2145.3-0.10000116.2
397E35.2Very low32.7Very low151 Ų151130.2 Ų130.271%0.70673%0.728SS**  cis-141.315416.4-75.2-164.6157.500113.4
398H38.2Very low32.7Very low151 Ų151129.7 Ų129.770%0.69973%0.725SS**  trans47.8134141.6-61.1-38.3000120.8
399S33.1Very low32.6Very low89 Ų89131.3 Ų131.362%0.62273%0.732SS**  cis-176.616812.2-97.20000108.9
400L36.5Very low32.6Very low135 Ų135132.2 Ų132.271%0.70773%0.733SS**  cis-166.3164.4-4.6-112.6163.1000110
401K37.2Very low32.4Very low180 Ų180131.8 Ų131.878%0.78373%0.732SS**  trans71.280.7151.5-77.3160.2-179.81750121.3
402D31.5Very low32.7Very low153 Ų153130.4 Ų130.482%0.81873%0.732SS**  -28172.7118.6-89.1-53.9000117.4
403P38.7Very low32.6Very low107 Ų107128.5 Ų128.570%0.69573%0.734SS**  cis-122.5-157.912.829.4-4.8000112.8
404S35.5Very low32.8Very low101 Ų101127.1 Ų127.171%0.70674%0.736SS**  cis-160.8147.722.4-18.50000109.5
405V32Very low32.7Very low139 Ų139126.8 Ų126.884%0.84273%0.729SS**  84.613558.6174.10000113.7
406P35.7Very low32.6Very low108 Ų108129.8 Ų129.870%0.70174%0.737SS**  trans-140.3-169.3-133.842.3-22.3000118.5
407S29.8Very low32.5Very low92 Ų92128.5 Ų128.564%0.64373%0.729SS**  trans52.3121.3148.863.20000121.6
408N30.7Very low32.3Very low155 Ų155126.3 Ų126.383%0.82973%0.726SS**  -175.4159113.4-99.3-18.9000116.4
409T27.4Very low32Very low113 Ų113124.7 Ų124.769%0.69373%0.727SS**  trans-36.3151.8165.6-13.70000117.5
410T31.5Very low31.9Very low122 Ų122126.1 Ų126.175%0.74873%0.732SS**  -176.8142.7121.8-77.50000112I412T410-I412 HydrophobicContact CG2-CD1 4.27Å
411N25.5Very low31.7Very low145 Ų145124.4 Ų124.478%0.77573%0.731SS**  trans-80.8144.4174.1-51.5-49000111.9
412I33.6Very low31.5Very low149 Ų149120.8 Ų120.876%0.76473%0.729SS**  trans-138.5133.5148.5-85106.4000110T410T410-I412 HydrophobicContact CG2-CD1 4.27Å
413T27.5Very low31.4Very low125 Ų125118.8 Ų118.877%0.76773%0.727SS**  trans-95.6133.6172.1-560000109.8
414T33Very low31Very low128 Ų128119.3 Ų119.379%0.78573%0.733SS**  trans-137105.4161.3-54.70000111
415T27.2Very low30.9Very low103 Ų103121.9 Ų121.963%0.63274%0.739SS**  trans-74.2143.3168.9-480000110.8
416I32.6Very low30.9Very low153 Ų153119.1 Ų119.179%0.78573%0.726SS**  trans-162.6106.7137.6-94.6142.6000106.3
417T31.2Very low30.7Very low100 Ų100120.7 Ų120.761%0.61373%0.728SS**  51.3135.688.30.20000113.8
418T30.6Very low30.9Very low105 Ų105124.1 Ų124.164%0.64474%0.739SS**  cis-162.9157.823.9-33.70000110.7
419T31.7Very low30.8Very low116 Ų116124 Ų12471%0.71274%0.739SS**  trans60.8134.5147.441.30000120.2
420T30.9Very low31Very low119 Ų119123.4 Ų123.473%0.7374%0.737SS**  cis-164.4161.9-1.2-5.20000112.9
421S32.1Very low31Very low99 Ų99122.8 Ų122.869%0.69274%0.737SS**  trans75.3109.8144.9-60.80000121.7
422S32.3Very low31.2Very low105 Ų105122.9 Ų122.973%0.73474%0.737SS**  trans62.591.3137.256.60000120.1
423S30.5Very low30.9Very low111 Ų111122 Ų12278%0.77673%0.733SS**  -14.3148.7126.653.30000117
424S30.5Very low30.9Very low117 Ų117122.1 Ų122.182%0.81873%0.733SS**  cis-163.2136.5-1.943.10000108.4
425N32.2Very low30.7Very low156 Ų156122.8 Ų122.883%0.83473%0.731SS**  trans-146.7155.6-167.9-154.412.9000113.2
426S32.7Very low30.7Very low80 Ų80125.2 Ų125.256%0.55974%0.735SS**  trans51.9112.5158.959.20000121.2
427N31.1Very low30.4Very low141 Ų141123 Ų12375%0.75473%0.733SS**  49.9123.7120.7-43.7-12.6000120.3
428N33.6Very low30.2Very low164 Ų164123.5 Ų123.588%0.87774%0.736SS**  -174.1148.399.4-85.6-27.9000112.5
429D28.2Very low30.1Very low153 Ų153123.5 Ų123.582%0.81874%0.74SS**  trans-111.1175174.7-150.712.9000107.1
430P33.2Very low29.9Very low101 Ų101124.9 Ų124.966%0.65674%0.742SS**  cis-130.8174.8-18.340.6-26.3000113.9
431S30.9Very low29.8Very low108 Ų108124.6 Ų124.676%0.75574%0.739SS**  trans172.8159.6134.445.50000115.1
432L29.8Very low29.7Very low147 Ų147125.6 Ų125.677%0.7774%0.742SS**  trans51.371.4160.9-72.7155.7000116.8
433I27.8Very low29.7Very low132 Ų132125.4 Ų125.468%0.67774%0.74SS**  65.994.384.9-55.8165.4000113.4L435I433-L435 HydrophobicContact CG2-CB 4.36Å; I433-L435 HydrophobicContact CG2-CD1 3.83Å; I433-L435 HydrophobicContact CG2-CG 3.78Å
434V27.6Very low29.9Very low126 Ų126129.6 Ų129.676%0.76475%0.745SS**  trans-100.8103.8158.8-1780000108.1H436V434-H436 PolarHBondContact O-N 3.36Å
435L27Very low30.2Very low142 Ų142135 Ų13574%0.74375%0.747SS**  trans-88.292.8-176-103.1165.6000112.3I433 S437I433-L435 HydrophobicContact CG2-CB 4.36Å; I433-L435 HydrophobicContact CG2-CD1 3.83Å; I433-L435 HydrophobicContact CG2-CG 3.78Å; L435-S437 PolarHBondContact O-N 2.95Å
436H28.4Very low30.4Very low154 Ų154137 Ų13771%0.71375%0.748SS**  trans-69.394.1163.7-81-112.9000110.1V434 T438V434-H436 PolarHBondContact O-N 3.36Å; H436-T438 PolarHBondContact O-N 3.13Å
437S26.6Very low30.6Very low107 Ų107144.6 Ų144.675%0.74877%0.765SS**  trans-74.648.6177.9-64.90000114.1L435 S439L435-S437 PolarHBondContact O-N 2.95Å; S437-S439 VanDerWaalsContact C-N 3.28Å; S437-S439 PolarHBondContact O-N 3.21Å
438T27.2Very low31Very low110 Ų110148.5 Ų148.568%0.67577%0.769SS**  trans-75.380.3167.749.80000110.1H436 I440H436-T438 PolarHBondContact O-N 3.13Å; T438-I440 VanDerWaalsContact C-N 3.32Å; T438-I440 PolarHBondContact O-N 3.18Å
439S27.3Very low30.9Very low106 Ų106148.1 Ų148.174%0.74177%0.767SS**  trans-71.880.5-179.6-168.70000112.3S437 V441S437-S439 VanDerWaalsContact C-N 3.28Å; S437-S439 PolarHBondContact O-N 3.21Å; S439-V441 PolarHBondContact O-N 2.95Å
440I27.3Very low31.5Very low144 Ų144147.3 Ų147.374%0.73876%0.761SS**  trans-85.589.1169.6-57.7176.7000108.4T438 T442T438-I440 VanDerWaalsContact C-N 3.32Å; T438-I440 PolarHBondContact O-N 3.18Å; I440-T442 HydrophobicContact CG2-CG2 4.31Å
441V28.5Very low31.7Very low113 Ų113147.9 Ų147.969%0.68577%0.765SS**  trans-113.488.5175.5-175.80000110.6S439 S443S439-V441 PolarHBondContact O-N 2.95Å; V441-S443 VanDerWaalsContact C-N 3.31Å; V441-S443 PolarHBondContact O-N 3.31Å
442T31.2Very low31.7Very low120 Ų120150.8 Ų150.874%0.73677%0.772SS**  trans-76.175.1177.755.70000112.1I440 K444I440-T442 HydrophobicContact CG2-CG2 4.31Å; T442-K444 PolarHBondContact O-N 3.2Å
443S31.9Very low32Very low101 Ų101153.6 Ų153.671%0.70678%0.778SS**  trans-75.391.7-177.9-168.90000112.9V441 R445V441-S443 VanDerWaalsContact C-N 3.31Å; V441-S443 PolarHBondContact O-N 3.31Å; S443-R445 VanDerWaalsContact C-N 3.3Å; S443-R445 PolarHBondContact O-N 3.42Å
444K34.1Very low32.2Very low200 Ų200157.4 Ų157.487%0.8779%0.79SS**  trans-75.671.4175.8-72.5-169.4176.4-178.50112.6T442 K446T442-K444 PolarHBondContact O-N 3.2Å; K444-K446 PolarHBondContact O-N 3.32Å
445R36.9Very low32.6Very low231 Ų231156.3 Ų156.387%0.87279%0.788SS**  trans-73.596.2175.8-167.4172.6-177.3175.80.5111.8S443 R447S443-R445 VanDerWaalsContact C-N 3.3Å; S443-R445 PolarHBondContact O-N 3.42Å; R445-R447 PolarHBondContact O-N 3.04Å
446K36.1Very low32.8Very low196 Ų196155.6 Ų155.685%0.85279%0.789SS**PPolyproline II helixtrans-57.3117.9177.2-174.5172.8-177.7174.30111.7K444 R448K444-K446 PolarHBondContact O-N 3.32Å; K446-R448 PolarHBondContact O-N 3.16Å
447R38.1Very low33.2Very low240 Ų240155.5 Ų155.591%0.90679%0.794SS**PPolyproline II helixtrans-52.6125.5169.4-79.1-178.9169.1176.8-3.5109.4R445R445-R447 PolarHBondContact O-N 3.04Å
448R38.7Very low33.6Very low223 Ų223158.7 Ų158.784%0.84280%0.797SS**PPolyproline II helixtrans-99.3120.3169.8-164.8-175.3-63176.91.4108.1K446K446-R448 PolarHBondContact O-N 3.16Å
449N32.6Very low33.9Very low157 Ų157161 Ų16184%0.8480%0.804SS**PPolyproline II helixtrans-77.2121.4-175.8-167.22.5000110.2
450I40.5Very low34.3Very low136 Ų136161.6 Ų161.670%0.69780%0.797SS**  trans-136.1135.6173-61.1-177.5000107.1
451P37.3Very low34.8Very low112 Ų112161.1 Ų161.173%0.72780%0.795SS**  trans-80.7142.9-161.2-13.830.9000114.2K453P451-K453 PolarHBondContact O-N 3.06Å
452N30.1Very low35.1Very low170 Ų170162.4 Ų162.491%0.90980%0.798SS**  trans-58.1116.7167.6-82.1-20.1000111.3
453K36.9Very low35.2Very low205 Ų205163.7 Ų163.789%0.89180%0.8SS**  trans-111.1131.4155.1-83.4-171.4172.9-176.20108.9P451P451-K453 PolarHBondContact O-N 3.06Å
454K32.5Very low35.1Very low213 Ų213166.5 Ų166.593%0.92681%0.807SS**  trans-78.2135.7175.7-58.5172.5-179.3177.10109.3
455S35.9Very low35.2Very low103 Ų103165.6 Ų165.672%0.7281%0.806SS**  trans-139.3135.5136.2-155.90000108.6
456T31.3Very low34.7Very low127 Ų127160.2 Ų160.278%0.77980%0.804SS**  trans-83.2137.7158.442.10000107.7
457D36.5Very low34.5Very low151 Ų151157.1 Ų157.181%0.80780%0.795SS**  trans-146.2147.4152.9-81.3-58.6000108.3
458E33.7Very low34.1Very low174 Ų174154.2 Ų154.281%0.81379%0.792SS**  trans-93.2124.7-170.6-60.9179.3145.600111I460E458-I460 HydrophobicContact CB-CG1 4.48Å; E458-I460 PolarHBondContact O-N 3.32Å
459I34.2Very low33.8Very low160 Ų160149 Ų14982%0.82179%0.79SS**  trans-91.689.9169.2-57.6-177.2000108.7I461I459-I461 HydrophobicContact CG2-CG1 4.01Å; I459-I461 PolarHBondContact O-N 3.4Å
460I36.3Very low33.6Very low118 Ų118151.6 Ų151.661%0.60579%0.789SS**  trans-76.9105168.7-59.9173.1000108E458 N462E458-I460 HydrophobicContact CB-CG1 4.48Å; E458-I460 PolarHBondContact O-N 3.32Å; I460-N462 PolarHBondContact O-N 3.1Å; I460-N462 VanDerWaalsContact O-N 3.12Å
461I37.1Very low33Very low134 Ų134150.9 Ų150.969%0.68780%0.796SS**  trans-81.789.1172.3-53.2-178.6000108.6I459 N463I459-I461 HydrophobicContact CG2-CG1 4.01Å; I459-I461 PolarHBondContact O-N 3.4Å; I461-N463 WeakPolarHBondContact CG2-OD1 3.38Å; I461-N463 PolarHBondContact O-N 3.46Å
462N35.8Very low32.7Very low139 Ų139152.4 Ų152.474%0.74380%0.797SS**  trans-75.2100.1168.2-84.7-19.3000109.5I460 N464I460-N462 PolarHBondContact O-N 3.1Å; I460-N462 VanDerWaalsContact O-N 3.12Å; N462-N464 VanDerWaalsContact C-N 3.31Å; N462-N464 PolarHBondContact O-N 3.09Å
463N31.9Very low32.7Very low147 Ų147152.6 Ų152.679%0.78680%0.797SS**  trans-67.985171.1-74.50000110.6I461I461-N463 WeakPolarHBondContact CG2-OD1 3.38Å; I461-N463 PolarHBondContact O-N 3.46Å
464N30.1Very low32.5Very low161 Ų161148.4 Ų148.486%0.86179%0.792SS**  trans-16353.2171.6-120.82.6000113.9N462N462-N464 VanDerWaalsContact C-N 3.31Å; N462-N464 PolarHBondContact O-N 3.09Å
465E35.6Very low32.5Very low180 Ų180146.3 Ų146.384%0.84179%0.791SS**  trans-145.2136.3166.3-147.6156.4-138.700111.1
466S27.3Very low32.5Very low118 Ų118150 Ų15083%0.82580%0.797SS**  trans-87.8113.7-176.752.90000110.6
467I32.6Very low32.6Very low132 Ų132150.1 Ų150.168%0.67779%0.793SS**  trans-114.5102.9178.1-57.5-179000109.7S469I467-S469 PolarHBondContact O-N 3.3Å; I467-S469 VanDerWaalsContact O-N 3.13Å; I467-S469 PolarHBondContact O-OG 2.99Å
468E28.5Very low32.2Very low179 Ų179150.3 Ų150.384%0.83679%0.789SS**  trans-57.1112.8165.4-64.1175.7121.200108.4Y470E468-Y470 PolarHBondContact O-N 3.44Å
469S32.3Very low32.3Very low113 Ų113150.1 Ų150.179%0.7979%0.792SS**  trans-87.1116.5-172.7-66.20000110.6I467I467-S469 PolarHBondContact O-N 3.3Å; I467-S469 VanDerWaalsContact O-N 3.13Å; I467-S469 PolarHBondContact O-OG 2.99Å
470Y28.8Very low32.2Very low211 Ų211149.7 Ų149.783%0.82779%0.792SS**  trans-62.8141.2-169.1-72.8-105.6000113.7E468 I472E468-Y470 PolarHBondContact O-N 3.44Å; Y470-I472 PolarHBondContact O-N 2.96Å
471S27.4Very low32.3Very low121 Ų121151.7 Ų151.785%0.84680%0.804SS**  trans-75.5112.816538.40000110.6
472I32.7Very low32.2Very low144 Ų144152.2 Ų152.274%0.73881%0.808SS**  trans-98.9110.4176.2-60178.6000109Y470Y470-I472 PolarHBondContact O-N 2.96Å
473L29.9Very low32.1Very low174 Ų174152 Ų15291%0.91181%0.807SS**  trans-87.6121.5165.3-77.7161.2000108.6
474C31.9Very low32.2Very low117 Ų117151.5 Ų151.579%0.79180%0.804SS**  trans-115.8127.1165.4-69.30000108.3
475N33.6Very low32.2Very low170 Ų170148 Ų14891%0.90979%0.792SS**PPolyproline II helixtrans-103.2157.8-174.3-148.958.6000110.4
476E35Very low31.9Very low181 Ų181147.8 Ų147.885%0.84679%0.793SS**PPolyproline II helixtrans-76.5157.3-171.1-141.6171.4144.100114.1
477N33.2Very low31.8Very low128 Ų128146.6 Ų146.668%0.68479%0.785SS**PPolyproline II helixtrans-60.4163.5171.8-71.8-66.2000112
478Q29.5Very low31.5Very low155 Ų155146 Ų14672%0.72479%0.788SS**  cis-164.1152.9-6.3-120.4164.648.400108.1
479L35.2Very low31.6Very low170 Ų170144.4 Ų144.489%0.8979%0.79SS**  trans159.5110.9136.4-90.2162.4000109.9
480D31.8Very low31.5Very low151 Ų151144.3 Ų144.381%0.80779%0.785SS**  trans-81144.1168-60.3-73.7000110.7
481D37.3Very low31.6Very low161 Ų161140.1 Ų140.186%0.86178%0.781SS**  trans-166.384.7141-109-17.1000109.9
482D35.5Very low31.7Very low144 Ų144139.2 Ų139.277%0.7777%0.771SS**  trans51.8146.4138.5-101.57.5000124.2
483N35.1Very low31.7Very low136 Ų136139.3 Ų139.373%0.72777%0.773SS**  trans82.981.7157.6-70-63000121.9
484N32.7Very low31.7Very low136 Ų136136.2 Ų136.273%0.72776%0.761SS**  90.2117.9104.5-163.824.9000121
485S30.1Very low31.6Very low87 Ų87136.7 Ų136.761%0.60876%0.761SS**  trans83115.5144-85.20000123.3
486M29.3Very low31.4Very low175 Ų175133.1 Ų133.186%0.86275%0.749SS**  71.6108.9124.6-74.7-163.4163.200121.7
487S25.9Very low31.2Very low94 Ų94129.6 Ų129.666%0.65774%0.744SS**  87.9108.4110.8-170.70000120
488T26.9Very low31.2Very low120 Ų120128.9 Ų128.974%0.73675%0.75SS**  45.3118.6120-25.50000119.4
489V30.7Very low31.5Very low145 Ų145126.1 Ų126.188%0.87975%0.747SS**  -164151.3122.3133.70000112.1
490T29.1Very low31.3Very low111 Ų111124 Ų12468%0.68174%0.742SS**  trans-84.5158.2-173-38.40000113.2
491T30.1Very low31.2Very low122 Ų122122.8 Ų122.875%0.74874%0.74SS**  154.3107.1121.2-58.60000115
492T29.6Very low30.7Very low103 Ų103120.7 Ų120.763%0.63273%0.733SS**  trans23.6122.7133.3-28.50000121.6
493N33.3Very low30.3Very low145 Ų145121 Ų12178%0.77573%0.734SS**  -177.9112.5112.6-85.9-20.6000110.5
494T30.9Very low30Very low109 Ų109121.1 Ų121.167%0.66974%0.741SS**  65.2127.178.841.70000118.5
495T29.5Very low29.8Very low128 Ų128122.4 Ų122.479%0.78575%0.747SS**  trans78.7138.2142.7-59.60000119
496S28.1Very low29.6Very low95 Ų95125.5 Ų125.566%0.66476%0.756SS**  cis-173.9175.4-21.5-91.40000110.3
497S32.4Very low29.7Very low106 Ų106121.8 Ų121.874%0.74175%0.747SS**  trans99.9132.5140.9-58.50000120.7
498S32.4Very low29.9Very low114 Ų114122.7 Ų122.780%0.79775%0.749SS**  trans65.4141.5161.7650000118.5
499S35.6Very low30Very low96 Ų96122 Ų12267%0.67175%0.746SS**  cis-171.9142.6-16.944.90000109.6
500T30.1Very low29.9Very low126 Ų126121.7 Ų121.777%0.77374%0.738SS**  trans45.8125.215948.20000118.4
501T29.7Very low30Very low125 Ų125123.3 Ų123.377%0.76774%0.742SS**  cis-161.8175.832.4-20.40000110.9
502T27.4Very low30Very low118 Ų118121.9 Ų121.972%0.72474%0.737SS**  trans-25.8141.2166.645.50000116.2
503N27Very low29.9Very low149 Ų149122.4 Ų122.480%0.79775%0.745SS**  cis-141155.827.2-111.1-9.6000113.7N505N503-N505 PolarHBondContact O-N 3.21Å
504T28.4Very low29.9Very low140 Ų140122.5 Ų122.586%0.85974%0.743SS**  trans-79.399.5-173.9-460000113.2
505N28.3Very low29.9Very low162 Ų162127 Ų12787%0.86675%0.753SS**  trans-160.875.8162.6-114.5-20.1000111.8N503N503-N505 PolarHBondContact O-N 3.21Å
506I26.6Very low30.2Very low153 Ų153130.1 Ų130.179%0.78575%0.75SS**  trans-140.1106.8177.6-62.3-179.5000105
507S30.7Very low30.4Very low96 Ų96132.9 Ų132.967%0.67176%0.758SS**  70.3118.564.9-167.30000112.2
508T30.8Very low30.8Very low114 Ų114135.1 Ų135.170%0.69976%0.761SS**  168172.6103.838.20000108.2
509P29.2Very low30.9Very low104 Ų104138 Ų13868%0.67576%0.761SS**  cis-126.6143-9.114.210.5000115.5
510I28Very low30.8Very low140 Ų140142.4 Ų142.472%0.71877%0.768SS**  45.4117.6119.2-53.3161.3000116.4
511N31.4Very low31.2Very low144 Ų144145.2 Ų145.277%0.7777%0.77SS**  -162.9166.573.5-140.4-18.3000116.8
512S30.5Very low31.3Very low92 Ų92145.8 Ų145.864%0.64376%0.764SS**  trans1115.6165.656.70000118.7
513S27.8Very low32Very low114 Ų114147.8 Ų147.880%0.79777%0.765SS**  64.1106.560.1-169.20000115.7
514M33.8Very low32.5Very low148 Ų148146.6 Ų146.673%0.72976%0.758SS**  trans-15695.5147.7-151.4178.9-59.100112.6R516M514-R516 PolarHBondContact SD-NH2 2.98Å
515K30.4Very low33.3Very low202 Ų202148.3 Ų148.388%0.87876%0.762SS**  trans-76.9136.8159.4-76-174.2176.6-178.80108.9
516R36.1Very low33.9Very low194 Ų194148.6 Ų148.673%0.73276%0.758SS**  trans-136.3109161.7-104.6-175.9-76.8131.1-4.5110.9M514M514-R516 PolarHBondContact SD-NH2 2.98Å
517N32Very low34.7Very low154 Ų154149 Ų14982%0.82476%0.762SS**  trans-74124.1163-69-31.6000108.6
518L41.1Very low35Very low153 Ų153147.5 Ų147.580%0.80176%0.761SS**  trans-143.480.5161.1-95165.9000106.3
519H34.9Very low35.4Very low174 Ų174151.9 Ų151.981%0.80677%0.771SS**  70.896.287-139.6107.6000113.1
520K33.4Very low36Very low189 Ų189155.6 Ų155.682%0.82278%0.779SS**  trans-32.7123.5169.8-179.6177.7-177.4174.50114.5
521K37.7Very low36.5Very low184 Ų184156.9 Ų156.980%0.879%0.787SS**  trans-136158.5149.6-97.1-144.7166.5-1600110.1
522H30.9Very low37Very low138 Ų138157.1 Ų157.164%0.63979%0.786SS**  trans-133106.9-170.5165.4-45.1000107.1D524H522-D524 VanDerWaalsContact CE1-CG 3.47Å; H522-D524 IonicContact CE1-OD1 3.34Å; H522-D524 PolarHBondContact CE1-OD1 3.44Å; H522-D524 VanDerWaalsContact CE1-OD1 3.3Å; H522-D524 IonicContact CE1-OD2 3.61Å; H522-D524 PolarHBondContact CE1-OD2 3.49Å; H522-D524 IonicContact ND1-OD1 2.78Å; H522-D524 IonicContact ND1-OD2 3.98Å; H522-D524 PolarHBondContact ND1-OD2 2.88Å
523E42Very low37.4Very low160 Ų160161.5 Ų161.575%0.74880%0.797SS**  trans-141.6107.1159.7-61.8177.4-168.700100.5
524D37.5Very low38.3Very low124 Ų124163 Ų16366%0.66380%0.795SS**  49.291.275.1-65.7-27.7000110.9H522H522-D524 VanDerWaalsContact CE1-CG 3.47Å; H522-D524 IonicContact CE1-OD1 3.34Å; H522-D524 PolarHBondContact CE1-OD1 3.44Å; H522-D524 VanDerWaalsContact CE1-OD1 3.3Å; H522-D524 IonicContact CE1-OD2 3.61Å; H522-D524 PolarHBondContact CE1-OD2 3.49Å; H522-D524 IonicContact ND1-OD1 2.78Å; H522-D524 IonicContact ND1-OD2 3.98Å; H522-D524 PolarHBondContact ND1-OD2 2.88Å
525D46.5Very low39Very low175 Ų175161.3 Ų161.394%0.93680%0.795SS**  trans-152.8142.2145.1-111.6-31.2000109.7
526E41.5Very low39Very low169 Ų169159.5 Ų159.579%0.7980%0.795SS**  trans-82.2-178.3-172.2-82.8-79.1173.400113.2
527N42.4Very low39Very low162 Ų162156.9 Ų156.987%0.86680%0.801SS**  trans91.7125.3176.3-47.3-46000115.1
528G37.1Very low39.2Very low63 Ų63154.9 Ų154.965%0.64980%0.799SS**  cis136.591-1.200000111.5
529F40.2Very low39Very low207 Ų207152.8 Ų152.891%0.90880%0.797SS**  trans-119.5102.9169.7-74.4-75.6000109
530E40.5Very low39.1Very low182 Ų182149.9 Ų149.985%0.8580%0.796SS**  trans-79.1134-175.2-167170.6-137.900110.8I532E530-I532 PolarHBondContact O-N 3.18Å
531L39.4Very low39.3Very low166 Ų166145.7 Ų145.787%0.86979%0.791SS**  trans-76.2114.5173.1-90.181.9000109.6E533L531-E533 PolarHBondContact O-N 3.44Å
532I41.1Very low39.4Very low149 Ų149142.6 Ų142.676%0.76479%0.792SS**  trans-78.899.8172.7-59.2177.4000109.3E530E530-I532 PolarHBondContact O-N 3.18Å
533E39.8Very low39.8Very low184 Ų184140.1 Ų140.186%0.8680%0.796SS**PPolyproline II helixtrans-80.6117.3172.3-168.5170.7-130.200110L531L531-E533 PolarHBondContact O-N 3.44Å
534L46.3Very low39.7Very low146 Ų146140.1 Ų140.176%0.76480%0.799SS**PPolyproline II helixtrans-86.2130.1-177.6-77.1171.3000111.7
535P47.7Very low39.8Very low112 Ų112143 Ų14373%0.72781%0.809SS**PPolyproline II helixtrans-79.6130.4-167.529.8-35.6000114
536N30.8Very low39.6Very low165 Ų165139.7 Ų139.788%0.88280%0.8SS**  trans-93.4101.2164.6-85.2-45.9000110.6
537T36.5Very low39.6Very low139 Ų139138.8 Ų138.885%0.85380%0.8SS**  trans-137144162.944.60000111.9
538S35.4Very low39.5Very low111 Ų111139.3 Ų139.378%0.77680%0.797SS**  trans-104.4160.9-174.253.20000112.1
539S38.2Very low39.8Very low109 Ų109144.9 Ų144.976%0.76281%0.811SS**  trans178.6137.6141.5-82.70000113.4
540S36.4Very low39.7Very low113 Ų113142.3 Ų142.379%0.7980%0.802SS**  trans50.2146.9143.860.10000122.3
541S37.2Very low39.4Very low102 Ų102139.8 Ų139.871%0.71379%0.792SS**  cis-176.5171.1-8.950.10000111
542S40.1Very low39.2Very low118 Ų118140.7 Ų140.783%0.82579%0.791SS**  trans71.3145.9163.5750000117.9
543A39Very low38.8Very low87 Ų87139.8 Ų139.872%0.71979%0.793SS**  cis-162.5-176.4-11.600000110.5
544I40.5Very low38.6Very low160 Ų160136 Ų13682%0.82179%0.786SS**  trans76.2108.3173.9-46.5165.7000112.8
545E39.3Very low37.8Very low184 Ų184134.6 Ų134.686%0.8679%0.789SS**  cis83.389.918.2-156.9171.5-155.200116.4
546S42.7Very low37.1Very low106 Ų106136.7 Ų136.774%0.74179%0.793SS**  trans168.4143.2161-72.70000106.5
547D41.9Very low37Very low150 Ų150133.8 Ų133.880%0.80278%0.782SS**  cis-154171.9-8.1-120.7-38.2000109.6
548E40.6Very low37Very low173 Ų173133.7 Ų133.781%0.80878%0.775SS**  trans-67.2148.1-174.4-57.4176.8133.500114.9
549L42.5Very low36.7Very low179 Ų179135 Ų13594%0.93777%0.773SS**  trans-155.697.4145.2-111.2177.5000110
550E38.7Very low36.5Very low154 Ų154135.4 Ų135.472%0.7277%0.771SS**  trans-83.6172-174-164.9168.5-16600113.6
551M33.8Very low36.2Very low129 Ų129135.9 Ų135.964%0.63577%0.769SS**  trans-40.2143.2-177.3-59177-79.700117.2
552H35.2Very low36.1Very low185 Ų185137.5 Ų137.586%0.85678%0.775SS**  trans-139.491.9132.9-88.3-68000111.2
553T32Very low35.7Very low130 Ų130138.1 Ų138.180%0.79877%0.774SS**  trans-90.5119.5151.741.40000107.7
554S36.6Very low35.4Very low103 Ų103139 Ų13972%0.7278%0.775SS**  trans-148.6132.6178.4-66.20000110.2
555S29.7Very low35.1Very low118 Ų118137.2 Ų137.283%0.82577%0.771SS**  trans-73.4151.6-17841.80000112
556L31.8Very low34.8Very low156 Ų156134.2 Ų134.282%0.81777%0.766SS**  trans-126.7105.2161.5-175.360.1000110.3
557T28.8Very low34.3Very low104 Ų104134.8 Ų134.864%0.63877%0.765SS**  trans-67.1135.3166.1-53.60000109.6
558I36.1Very low34Very low137 Ų137136.5 Ų136.570%0.70377%0.768SS**  trans-116.399.7163.9-59.8-178.1000108.3
559N30.5Very low33.7Very low137 Ų137138 Ų13873%0.73377%0.772SS**  trans-79.1127.2162.4-71.2-12.6000108.2
560T33.8Very low33.3Very low119 Ų119134.6 Ų134.673%0.7376%0.763SS**  trans-128.798.8164-43.30000109.3
561T30.5Very low33.1Very low122 Ų122131.9 Ų131.975%0.74876%0.761SS**  trans-89.6117.1-178.5-53.70000110.6
562T33.6Very low32.9Very low137 Ų137133.7 Ų133.784%0.8477%0.773SS**  trans-140.2121.4157.8230000110.6
563T31.7Very low32.8Very low130 Ų130131.5 Ų131.580%0.79877%0.772SS**  trans-74131.9-173.945.10000114.3
564S34.4Very low32.7Very low106 Ų106134.4 Ų134.474%0.74178%0.777SS**  -166.5127.2129.756.30000112.5
565T33.3Very low32.5Very low122 Ų122133.4 Ų133.475%0.74878%0.775SS**  trans-2.1138.4146.352.70000117.9
566T32.9Very low33Very low121 Ų121133.3 Ų133.374%0.74277%0.771SS**  cis-164.3169.912.42.10000111.7
567T32.6Very low33.6Very low119 Ų119131.2 Ų131.273%0.7377%0.767SS**  trans0141.1152.29.40000118.9
568E34.4Very low34.1Very low186 Ų186131.8 Ų131.887%0.86977%0.766SS**  cis-143.2-169.834.1-67.7-156.2125.700116.1
569K35.4Very low34.6Very low205 Ų205131.5 Ų131.589%0.89177%0.766SS**  trans-93.3155.1-173.5-50.5156.6-177.3165.70112
570S33.7Very low35.4Very low106 Ų106131 Ų13174%0.74176%0.762SS**  -178.7146.8115.8-167.10000114.8
571S34.9Very low36.1Very low97 Ų97129.5 Ų129.568%0.67876%0.757SS**  trans42.378.7146610000120.8
572L29.6Very low37.1Very low167 Ų167131.4 Ų131.487%0.87476%0.757SS**  11.9110.6120.9-170.875.8000118.1
573T31.6Very low37.4Very low139 Ų139131.1 Ų131.185%0.85374%0.744SS**  trans-134.3132.3146.431.90000109.1A575T573-A575 PolarHBondContact O-N 3.32Å
574Q31.4Very low38.1Very low191 Ų191130.1 Ų130.189%0.89374%0.74SS**  trans-84110.5-174.3-173.7174.2300110.6
575A31.8Very low38.8Very low82 Ų82130.8 Ų130.868%0.67874%0.742SS**PPolyproline II helixtrans-74149.1174.800000111.8T573T573-A575 PolarHBondContact O-N 3.32Å
576P39.9Very low39.3Very low116 Ų116131.1 Ų131.175%0.75374%0.738SS**PPolyproline II helixtrans-59.8157.7168.1-21.834.1000112.2
577P44.1Very low40Very low113 Ų113131.6 Ų131.673%0.73474%0.735SS**PPolyproline II helixtrans-63.3141.2-177.226.4-35.1000112.8L579P577-L579 PolarHBondContact O-N 3.32Å; P577-L579 VanDerWaalsContact O-N 3.13Å
578D39.5Very low40.4Very low115 Ų115133.7 Ų133.762%0.61573%0.734SS**  trans-76.999.7-174.8-172.64.3000112.5L580 S581D578-L580 PolarHBondContact O-N 3.26Å; D578-L580 WeakPolarHBondContact OD1-CB 3.39Å; D578-L580 PolarHBondContact OD1-N 2.88Å; D578-S581 WeakPolarHBondContact O-CB 3.33Å; D578-S581 PolarHBondContact O-N 3.48Å; D578-S581 PolarHBondContact O-OG 3.36Å
579L46.3Very low41.2Very low131 Ų131127.3 Ų127.369%0.68671%0.707SS**G310 helixtrans-70-11.8179.6-63.7177.5000113.7P577 S581 H582P577-L579 PolarHBondContact O-N 3.32Å; P577-L579 VanDerWaalsContact O-N 3.13Å; L579-S581 PolarHBondContact O-N 3.07Å; L579-H582 PolarHBondContact O-N 3.4Å
580L48.1Very low42.1Very low127 Ų127126 Ų12667%0.66571%0.71SS**G310 helixtrans-65.7-20.3174.4-90.465000112.4D578 H582 F583D578-L580 PolarHBondContact O-N 3.26Å; D578-L580 WeakPolarHBondContact OD1-CB 3.39Å; D578-L580 PolarHBondContact OD1-N 2.88Å; L580-H582 PolarHBondContact O-N 2.96Å; L580-F583 PolarHBondContact O-N 2.9Å
581S48.7Very low43.3Very low88 Ų88127.6 Ų127.662%0.61571%0.711SS**G310 helixtrans-61.5-11.4176.563.10000115.2D578 L579D578-S581 WeakPolarHBondContact O-CB 3.33Å; D578-S581 PolarHBondContact O-N 3.48Å; D578-S581 PolarHBondContact O-OG 3.36Å; L579-S581 PolarHBondContact O-N 3.07Å
582H51.8Low44.3Very low162 Ų162125.3 Ų125.375%0.7570%0.702SS**G310 helixtrans-100.7-2-177-77.633.8000114.6L579 L580L579-H582 PolarHBondContact O-N 3.4Å; L580-H582 PolarHBondContact O-N 2.96Å
583F39.2Very low45Very low130 Ų130122.2 Ų122.257%0.5769%0.687SS**SBendtrans-78.2133.9173.7-69-72.3000111.4L580 M599L580-F583 PolarHBondContact O-N 2.9Å; F583-M599 HydrophobicContact CD1-CE 4.46Å; F583-M599 HydrophobicContact CE1-CE 4.04Å
584P47.1Very low45.5Very low109 Ų109120.5 Ų120.571%0.70868%0.677SS**PPolyproline II helixtrans-63.5144.817328-34.1000110.2L586P584-L586 PolarHBondContact O-N 3.3Å
585P47.9Very low45.9Very low120 Ų120115.2 Ų115.278%0.77966%0.655SS**PPolyproline II helixtrans-61.7132.7-176.624.9-34.1000111.2I587P585-I587 PolarHBondContact O-N 2.98Å; P585-I587 VanDerWaalsContact O-N 3.16Å
586L44.2Very low46.1Very low130 Ų130115.3 Ų115.368%0.68166%0.655SS**PPolyproline II helixtrans-51.7119.7178.6-73.7167000110.9P584 K588P584-L586 PolarHBondContact O-N 3.3Å; L586-K588 PolarHBondContact O-N 3.28Å
587I48.5Very low46Very low130 Ų130114.3 Ų114.367%0.66765%0.647SS**  trans-69.3106.4177.5-55.3175.9000107.8P585P585-I587 PolarHBondContact O-N 2.98Å; P585-I587 VanDerWaalsContact O-N 3.16Å
588K41Very low45.5Very low164 Ų164114.9 Ų114.971%0.71365%0.649SS**BIsolated β-bridgetrans-68.9139.6168.4-62.9-174.4179.1-174.50109.2L586L586-K588 PolarHBondContact O-N 3.28Å
589T51.1Low45.2Very low51 Ų51115.4 Ų115.431%0.31365%0.649SS.*  trans-68.5160.9161.258.70000110.1N591 G592 D593 I595T589-N591 PolarHBondContact O-N 3.48Å; T589-N591 VanDerWaalsContact O-N 3.11Å; T589-G592 PolarHBondContact O-N 2.9Å; T589-D593 PolarHBondContact N-O 2.95Å; T589-D593 PolarHBondContact OG1-N 3.29Å; T589-D593 PolarHBondContact OG1-O 3.38Å; T589-D593 VanDerWaalsContact OG1-O 3.07Å; T589-I595 HydrophobicContact CG2-CD1 3.9Å; T589-I595 HydrophobicContact CG2-CG1 3.68Å
590D54Low44.7Very low177 Ų177118.1 Ų118.195%0.94766%0.658SS**THydrogen-bonded Turntrans-59.3-19.2171-74.3-42.3000112.8G592D590-G592 VanDerWaalsContact C-N 3.3Å
591N59.5Low44.1Very low141 Ų141117 Ų11775%0.75466%0.656SS**THydrogen-bonded Turntrans-80.3-7.7174.5-63.8-7.8000113.3T589 D593T589-N591 PolarHBondContact O-N 3.48Å; T589-N591 VanDerWaalsContact O-N 3.11Å; N591-D593 PolarHBondContact O-N 2.97Å
592G55.2Low43.5Very low48 Ų48120 Ų12050%0.49566%0.661SS.*  trans83.3-12.6-176.100000115T589 D590T589-G592 PolarHBondContact O-N 2.9Å; D590-G592 VanDerWaalsContact C-N 3.3Å
593D44.6Very low42.7Very low103 Ų103119.4 Ų119.455%0.55166%0.662SS**PPolyproline II helixtrans-62.6133.2177-70.7-48.7000111.2T589 N591 I595T589-D593 PolarHBondContact N-O 2.95Å; T589-D593 PolarHBondContact OG1-N 3.29Å; T589-D593 PolarHBondContact OG1-O 3.38Å; T589-D593 VanDerWaalsContact OG1-O 3.07Å; N591-D593 PolarHBondContact O-N 2.97Å; D593-I595 PolarHBondContact O-N 2.95Å
594P42.3Very low42.7Very low102 Ų102120.7 Ų120.766%0.66267%0.674SS**BIsolated β-bridgetrans-73121.6174.629.8-32.6000110A596P594-A596 PolarHBondContact O-N 3.2Å; P594-A596 VanDerWaalsContact O-N 3.16Å
595I38.1Very low42.4Very low80 Ų80122.3 Ų122.341%0.4167%0.672SS.*PPolyproline II helixtrans-67.2116168.5-55.2178.4000107.5T589 D593 V597T589-I595 HydrophobicContact CG2-CD1 3.9Å; T589-I595 HydrophobicContact CG2-CG1 3.68Å; D593-I595 PolarHBondContact O-N 2.95Å; I595-V597 VanDerWaalsContact C-N 3.29Å; I595-V597 HydrophobicContact CG2-CG2 4.17Å; I595-V597 PolarHBondContact O-N 3Å
596A37.7Very low41.7Very low84 Ų84119.9 Ų119.969%0.69467%0.669SS**  trans-69.488.4169.600000109P594 T598P594-A596 PolarHBondContact O-N 3.2Å; P594-A596 VanDerWaalsContact O-N 3.16Å; A596-T598 VanDerWaalsContact C-N 3.28Å; A596-T598 PolarHBondContact O-N 3Å
597V36.4Very low41.2Very low95 Ų95117.2 Ų117.258%0.57667%0.672SS**  trans-72.787.7172.2-176.10000108I595 M599I595-V597 VanDerWaalsContact C-N 3.29Å; I595-V597 HydrophobicContact CG2-CG2 4.17Å; I595-V597 PolarHBondContact O-N 3Å; V597-M599 VanDerWaalsContact C-N 3.27Å; V597-M599 HydrophobicContact CG1-CG 4.14Å; V597-M599 PolarHBondContact O-N 2.89Å
598T35.1Very low40.7Very low126 Ų126120.7 Ų120.777%0.77368%0.677SS**  trans-67.388.7166.349.20000108.5A596 E600A596-T598 VanDerWaalsContact C-N 3.28Å; A596-T598 PolarHBondContact O-N 3Å; T598-E600 PolarHBondContact O-N 2.92Å
599M33.3Very low40.6Very low125 Ų125118.5 Ų118.562%0.61667%0.669SS**  trans-66.5109.9161.8-67.5-173.7-63.600107.4F583 V597 V601F583-M599 HydrophobicContact CD1-CE 4.46Å; F583-M599 HydrophobicContact CE1-CE 4.04Å; V597-M599 VanDerWaalsContact C-N 3.27Å; V597-M599 HydrophobicContact CG1-CG 4.14Å; V597-M599 PolarHBondContact O-N 2.89Å; M599-V601 VanDerWaalsContact C-N 3.28Å; M599-V601 HydrophobicContact CB-CG2 4.5Å; M599-V601 PolarHBondContact O-N 3.4Å
600E35.4Very low40.3Very low188 Ų188121 Ų12188%0.87969%0.687SS**  trans-65.298.3157.9-68.2-170.8158.500106.7T598 E602T598-E600 PolarHBondContact O-N 2.92Å; E600-E602 VanDerWaalsContact C-N 3.26Å; E600-E602 PolarHBondContact O-N 3.34Å
601V35.3Very low40Very low103 Ų103119 Ų11962%0.62467%0.671SS**  trans-71.992.9169.8-179.80000106M599 L603M599-V601 VanDerWaalsContact C-N 3.28Å; M599-V601 HydrophobicContact CB-CG2 4.5Å; M599-V601 PolarHBondContact O-N 3.4Å; V601-L603 HydrophobicContact CG1-CD2 4.03Å; V601-L603 HydrophobicContact CG1-CG 4.32Å; V601-L603 PolarHBondContact O-N 3.39Å
602E35Very low39.2Very low153 Ų153115.1 Ų115.172%0.71566%0.659SS**  trans-61.992.8169.1-170.8170.3-137.500107.9E600 L604E600-E602 VanDerWaalsContact C-N 3.26Å; E600-E602 PolarHBondContact O-N 3.34Å; E602-L604 VanDerWaalsContact C-N 3.29Å; E602-L604 PolarHBondContact O-N 2.95Å
603L35.4Very low38.7Very low149 Ų149118.1 Ų118.178%0.7866%0.663SS**  trans-68.292.1176.1-74.2174000107.8V601 E605V601-L603 HydrophobicContact CG1-CD2 4.03Å; V601-L603 HydrophobicContact CG1-CG 4.32Å; V601-L603 PolarHBondContact O-N 3.39Å; L603-E605 PolarHBondContact O-N 3.47Å
604L39.8Very low38.9Very low156 Ų156120.8 Ų120.882%0.81767%0.67SS**  trans-46.399.5167.4-80.5154.4000109.3E602 G606E602-L604 VanDerWaalsContact C-N 3.29Å; E602-L604 PolarHBondContact O-N 2.95Å; L604-G606 PolarHBondContact O-N 2.97Å
605E40.1Very low39.2Very low144 Ų144122 Ų12267%0.67367%0.671SS**  trans-78.235.4-177-174.9135-133.100112L603 R608L603-E605 PolarHBondContact O-N 3.47Å; E605-R608 IonicContact OE1-CZ 2.66Å; E605-R608 IonicContact OE1-NE 3.95Å; E605-R608 PolarHBondContact OE1-NE 3.49Å; E605-R608 IonicContact OE1-NH2 2.74Å; E605-R608 PolarHBondContact OE1-NH2 3.02Å; E605-R608 IonicContact OE2-NH2 3.3Å
606G33.3Very low39.9Very low69 Ų69123.5 Ų123.571%0.71168%0.679SS**SBendtrans-101115.216800000110.2L604L604-G606 PolarHBondContact O-N 2.97Å
607G34.1Very low40.5Very low73 Ų73126.8 Ų126.875%0.75368%0.678SS**  trans93.661.4175.300000115.1H609G607-H609 PolarHBondContact O-N 3.23Å
608R38.9Very low41.2Very low203 Ų203126 Ų12677%0.76668%0.676SS**  trans-64.973170.3-73.9-176.7166.6-164.60.5112.6E605 P610E605-R608 IonicContact OE1-CZ 2.66Å; E605-R608 IonicContact OE1-NE 3.95Å; E605-R608 PolarHBondContact OE1-NE 3.49Å; E605-R608 IonicContact OE1-NH2 2.74Å; E605-R608 PolarHBondContact OE1-NH2 3.02Å; E605-R608 IonicContact OE2-NH2 3.3Å; R608-P610 WeakPolarHBondContact O-CD 3.45Å
609H37.1Very low41.7Very low119 Ų119123.2 Ų123.255%0.55167%0.666SS**  trans-75.6116.5176.8-167.9-114.6000111.3G607 Q611 A612G607-H609 PolarHBondContact O-N 3.23Å; H609-Q611 PolarHBondContact O-N 3.27Å; H609-A612 PolarHBondContact O-N 3.48Å; H609-A612 VanDerWaalsContact O-N 3.16Å
610P45.6Very low42.6Very low104 Ų104123.9 Ų123.968%0.67567%0.671SS**THydrogen-bonded Turntrans-69.2-12.3-164.725.4-34.7000115.3R608R608-P610 WeakPolarHBondContact O-CD 3.45Å
611Q48.2Very low43.3Very low134 Ų134119.9 Ų119.963%0.62666%0.664SS**THydrogen-bonded Turntrans-78.7-33.1173.9-71.4-177.1-20.900113.5H609 N613 K614 L615H609-Q611 PolarHBondContact O-N 3.27Å; Q611-N613 VanDerWaalsContact C-N 3.31Å; Q611-N613 PolarHBondContact O-N 3.3Å; Q611-K614 WeakPolarHBondContact O-CB 3.39Å; Q611-K614 PolarHBondContact O-N 2.9Å; Q611-L615 PolarHBondContact O-N 3.02Å
612A42.7Very low43.7Very low59 Ų59119.9 Ų119.949%0.48867%0.669SS.*Hα-helixtrans-61.6-40.7-173.600000111.9H609 K614 L615 L616H609-A612 PolarHBondContact O-N 3.48Å; H609-A612 VanDerWaalsContact O-N 3.16Å; A612-K614 PolarHBondContact O-N 3.23Å; A612-L615 PolarHBondContact O-N 3.5Å; A612-L616 PolarHBondContact O-N 3.46Å
613N44.7Very low43.9Very low111 Ų111119.6 Ų119.659%0.59467%0.672SS**Hα-helixtrans-68.7-17.7178.1-115.8-50.3000114.1Q611 K617Q611-N613 VanDerWaalsContact C-N 3.31Å; Q611-N613 PolarHBondContact O-N 3.3Å; N613-K617 WeakPolarHBondContact O-CG 3.45Å
614K48.3Very low44.1Very low160 Ų160119.6 Ų119.670%0.69667%0.673SS**Hα-helixtrans-78.2-44.4169.5-75.3-174.4173.9-178.30111.1Q611 A612 K617 S618Q611-K614 WeakPolarHBondContact O-CB 3.39Å; Q611-K614 PolarHBondContact O-N 2.9Å; A612-K614 PolarHBondContact O-N 3.23Å; K614-K617 PolarHBondContact O-N 3.44Å; K614-S618 PolarHBondContact O-N 3.36Å; K614-S618 PolarHBondContact O-OG 3.26Å
615L49.2Very low43.8Very low127 Ų127120.1 Ų120.167%0.66568%0.676SS**Hα-helixtrans-63.5-42.9178.4-69.4172.8000112.1Q611 A612 K617 S618 A619Q611-L615 PolarHBondContact O-N 3.02Å; A612-L615 PolarHBondContact O-N 3.5Å; L615-K617 PolarHBondContact O-N 2.94Å; L615-S618 PolarHBondContact O-N 2.94Å; L615-A619 WeakPolarHBondContact O-CB 3.28Å; L615-A619 PolarHBondContact O-N 2.93Å
616L51.8Low43.6Very low112 Ų112120.3 Ų120.359%0.58668%0.682SS**Hα-helixtrans-63.1-40.9179.1-14379.1000112.3A612 A619 L620A612-L616 PolarHBondContact O-N 3.46Å; L616-A619 PolarHBondContact O-N 3.45Å; L616-L620 WeakPolarHBondContact O-CB 3.44Å; L616-L620 WeakPolarHBondContact O-CG 3.43Å; L616-L620 PolarHBondContact O-N 3.1Å
617K51.4Low43.6Very low153 Ų153124.7 Ų124.767%0.66569%0.689SS**Hα-helixtrans-67.8-37.2175.2-76.5-175.3174.8-177.40112.8N613 K614 L615 S621N613-K617 WeakPolarHBondContact O-CG 3.45Å; K614-K617 PolarHBondContact O-N 3.44Å; L615-K617 PolarHBondContact O-N 2.94Å; K617-S621 WeakPolarHBondContact O-CB 3.35Å; K617-S621 PolarHBondContact O-N 3.34Å
618S49.9Very low43.5Very low78 Ų78128.9 Ų128.955%0.54569%0.689SS.*Hα-helixtrans-65.1-44.8173.5-63.80000112.1K614 L615 S621 S622K614-S618 PolarHBondContact O-N 3.36Å; K614-S618 PolarHBondContact O-OG 3.26Å; L615-S618 PolarHBondContact O-N 2.94Å; S618-S621 PolarHBondContact O-N 3.42Å; S618-S622 WeakPolarHBondContact O-CB 3.41Å; S618-S622 PolarHBondContact O-N 3.09Å; S618-S622 VanDerWaalsContact O-N 3.13Å
619A47Very low43.3Very low67 Ų67127.1 Ų127.155%0.55469%0.693SS**Hα-helixtrans-61.3-46178.400000112L615 L616 S621 S622L615-A619 WeakPolarHBondContact O-CB 3.28Å; L615-A619 PolarHBondContact O-N 2.93Å; L616-A619 PolarHBondContact O-N 3.45Å; A619-S621 VanDerWaalsContact C-N 3.34Å; A619-S621 PolarHBondContact O-N 3.23Å; A619-S622 PolarHBondContact O-N 3.19Å
620L50.7Low43.1Very low139 Ų139126.3 Ų126.373%0.72870%0.701SS**Hα-helixtrans-69.8-27.8177.9-70167.9000113.3L616L616-L620 WeakPolarHBondContact O-CB 3.44Å; L616-L620 WeakPolarHBondContact O-CG 3.43Å; L616-L620 PolarHBondContact O-N 3.1Å
621S50.6Low42.5Very low105 Ų105128.5 Ų128.573%0.73471%0.707SS**Hα-helixtrans-84.9-13.3179-169.50000114.3K617 S618 A619K617-S621 WeakPolarHBondContact O-CB 3.35Å; K617-S621 PolarHBondContact O-N 3.34Å; S618-S621 PolarHBondContact O-N 3.42Å; A619-S621 VanDerWaalsContact C-N 3.34Å; A619-S621 PolarHBondContact O-N 3.23Å
622S43.2Very low42Very low103 Ų103130.8 Ų130.872%0.7272%0.717SS**SBendtrans-93.3-7.6-171.7-167.80000114.9S618 A619S618-S622 WeakPolarHBondContact O-CB 3.41Å; S618-S622 PolarHBondContact O-N 3.09Å; S618-S622 VanDerWaalsContact O-N 3.13Å; A619-S622 PolarHBondContact O-N 3.19Å
623N39.9Very low41.5Very low147 Ų147136 Ų13679%0.78673%0.732SS**SBendtrans-114.737.7-159-158.124.7000114.7
624N39.5Very low41.1Very low149 Ų149138.1 Ų138.180%0.79774%0.738SS**SBendtrans-143.713.2-175.3-15223.7000116.1
625N34.5Very low40.4Very low167 Ų167139.4 Ų139.489%0.89375%0.747SS**  trans-128.261.4179.1-87.5-11.2000111.3
626N34.7Very low39.6Very low148 Ų148138.8 Ų138.879%0.79175%0.753SS**  trans-153.287.8163.9-149.17.1000112.7
627N33.4Very low38.7Very low160 Ų160139.2 Ų139.286%0.85676%0.76SS**  trans-151.1119.3155.2-132.5-5.3000108.9
628Q31.9Very low37.9Very low162 Ų162139.8 Ų139.876%0.75777%0.77SS**  trans-84.3-169.7171.1-64.8178.1-15.300109.5
629I34.5Very low37.1Very low166 Ų166143.1 Ų143.185%0.85178%0.782SS**  trans84.8125.6-171.8-53.2164.1000111.6
630S33.5Very low36.5Very low101 Ų101150 Ų15071%0.70680%0.795SS**  cis-159.5157.4-12.4-177.70000111.4
631N31.9Very low35.8Very low150 Ų150148.8 Ų148.880%0.80279%0.794SS**  trans-38.9130.5179.7-50.4-25.9000117.5
632Q37.7Very low34.9Very low182 Ų182147.1 Ų147.185%0.8579%0.793SS**  -149.5120.9123.1-61.5-161.624.300105.5
633Q33.8Very low34.7Very low168 Ų168152 Ų15279%0.78580%0.802SS**  63.7115.677.1-172.1167-7.800110.3
634E35.6Very low34.3Very low156 Ų156151 Ų15173%0.72980%0.801SS**  cis-131.715129.9-66-176.5139.100113.4
635Q32.9Very low33.7Very low188 Ų188149.8 Ų149.888%0.87980%0.803SS**  38.2139.8104.6-63-177.6-24.300117.6
636S33.9Very low33.6Very low113 Ų113147.5 Ų147.579%0.7980%0.8SS**  cis-142.1164.10.864.80000113
637T32.2Very low33.6Very low122 Ų122147 Ų14775%0.74880%0.802SS**  trans-71.5156.7164.546.90000111.8
638D34.1Very low33.8Very low164 Ų164145 Ų14588%0.87780%0.796SS**  -155.8151.4122.4-116.3-21.2000111.7
639D34.3Very low34.1Very low149 Ų149142.6 Ų142.680%0.79780%0.797SS**  trans-95.3-164.6179.9-102.5-53.7000111.3
640Y34.1Very low34.3Very low210 Ų210141.6 Ų141.682%0.82479%0.794SS**  trans87.5108.1157.5-98-106.3000120.5
641V35.6Very low34.7Very low114 Ų114141.9 Ų141.969%0.69180%0.795SS**  trans59.1110.1130.8178.10000118.1
642G32.4Very low35.1Very low71 Ų71138.6 Ų138.673%0.73280%0.797SS**  trans-73.8164173.900000115
643K37.7Very low35.2Very low206 Ų206134 Ų13490%0.89680%0.798SS**  trans-150.5160.3164.4-109.3161.1-173.31710111.6
644T32.5Very low35.5Very low126 Ų126129.2 Ų129.277%0.77379%0.794SS**  trans-72.9147.2-166.646.90000116.2
645C26.4Very low35.7Very low123 Ų123129.8 Ų129.883%0.83180%0.802SS**  trans28.6113.8143.6-59.80000121.2
646S32.6Very low36.2Very low118 Ų118130.1 Ų130.183%0.82580%0.801SS**  trans-176.1146.7133-79.60000107.6
647T34.9Very low36.5Very low137 Ų137131.5 Ų131.584%0.8481%0.805SS**  cis-146.4177.618.2-9.40000111.4
648T36.9Very low36.8Very low119 Ų119131.8 Ų131.873%0.7381%0.806SS**  trans-81.7149.3-174.342.10000116.7
649S39.6Very low37.1Very low112 Ų112132.6 Ų132.678%0.78381%0.807SS**  trans68.7147.6147.573.50000118.8
650N38.6Very low37.3Very low145 Ų145135.7 Ų135.778%0.77581%0.813SS**  cis-147.7157.82.1-151.35.9000113.4
651S42.1Very low37.4Very low106 Ų106137.3 Ų137.374%0.74182%0.818SS**  trans44.2126.6155.159.70000121.9
652G38.5Very low37.8Very low81 Ų81136.7 Ų136.784%0.83582%0.819SS**  trans124.19.7133.100000120.8
653G40.6Very low38.4Very low86 Ų86143 Ų14389%0.88783%0.826SS**  trans-69.2157171.100000112.9
654G40.3Very low38.8Very low67 Ų67139.1 Ų139.169%0.69182%0.819SS**  cis163.8137.5-1.200000110.9K656G654-K656 PolarHBondContact O-N 2.97Å
655N40.2Very low39Very low169 Ų169144.4 Ų144.490%0.90483%0.825SS**  trans-63.9122.1-171.7-72.4-27000113
656K41.9Very low40.1Very low195 Ų195146.8 Ų146.885%0.84882%0.821SS**  trans-98.292.5168.4-82-171.1173.5-179.20111.7G654 T658G654-K656 PolarHBondContact O-N 2.97Å; K656-T658 PolarHBondContact O-N 3Å
657T40.8Very low40.3Very low142 Ų142145.6 Ų145.687%0.87182%0.819SS**  trans-54.6124.8159.440.40000109.8
658T38.9Very low40.9Very low128 Ų128149.1 Ų149.179%0.78583%0.832SS**  trans-128.5129.1173.5-52.90000108.5K656K656-T658 PolarHBondContact O-N 3Å
659M39.2Very low41.1Very low181 Ų181150.6 Ų150.689%0.89284%0.838SS**  trans-68.4139.3-166-63.6165.369.300113R661M659-R661 PolarHBondContact O-N 3.47Å; M659-R661 VanDerWaalsContact O-N 3.1Å
660K39.9Very low41.2Very low213 Ų213152.6 Ų152.693%0.92684%0.84SS**  trans-64.3108.5165.6-74.7-175.5176.8179.10109.4S662K660-S662 PolarHBondContact O-N 3.2Å
661R35.9Very low41.3Very low244 Ų244153.1 Ų153.192%0.92184%0.844SS**  trans-75.6102.7176.2-163.7176.5-167.6176.44.6110M659 K663M659-R661 PolarHBondContact O-N 3.47Å; M659-R661 VanDerWaalsContact O-N 3.1Å; R661-K663 PolarHBondContact O-N 3.33Å
662S43.4Very low41.3Very low102 Ų102155.8 Ų155.871%0.71385%0.85SS**  trans-62.3122.6176.9-173.90000111K660 V664K660-S662 PolarHBondContact O-N 3.2Å; S662-V664 PolarHBondContact O-N 3.4Å
663K44.6Very low41.5Very low202 Ų202160.5 Ų160.588%0.87885%0.851SS**  trans-83.286.4166.4-82.5-171.4173.5-1770108.9R661 R665R661-K663 PolarHBondContact O-N 3.33Å; K663-R665 PolarHBondContact O-N 2.78Å
664V47.3Very low41.5Very low125 Ų125165.5 Ų165.576%0.75885%0.849SS**PPolyproline II helixtrans-57.4123.9164.2176.20000108S662 K666S662-V664 PolarHBondContact O-N 3.4Å; V664-K666 PolarHBondContact O-N 3.42Å
665R36.9Very low41.6Very low238 Ų238172.5 Ų172.590%0.89886%0.86SS**PPolyproline II helixtrans-73.4118165-60.4179.8-169.7167.32.4106.9K663K663-R665 PolarHBondContact O-N 2.78Å
666K48.2Very low41.7Very low172 Ų172172.8 Ų172.875%0.74886%0.857SS**PPolyproline II helixtrans-71.7138148.8-93.1-168159.7-152.80107.6V664 D668V664-K666 PolarHBondContact O-N 3.42Å; K666-D668 IonicContact NZ-OD1 3.82Å
667A38.1Very low41.7Very low93 Ų93170.9 Ų170.977%0.76986%0.857SS**PPolyproline II helixtrans-81.5136.614200000106.3
668D47.3Very low41.8Very low211 Ų211173.5 Ų173.5100%1.12886%0.856SS**  trans-109.80148.4-64-47.5000105.5K666K666-D668 IonicContact NZ-OD1 3.82Å

Retrieved 668 of 668 residues in 103.8 ms (Link to these results)