A0A096M7Q7_POEFO Loading...

Myocardin

Smooth muscle cells (SM) and cardiac muscle cells-specific transcriptional factor which uses the canonical single or multiple CArG boxes DNA sequence. Acts as a cofactor of serum response factor (SRF) with the potential to modulate SRF-target genes. Plays a crucial role in cardiogenesis, urinary bladder development, and differentiation of the smooth muscle cell lineage (myogenesis). Positively regulates the transcription of genes involved in vascular smooth muscle contraction.

AlphaFold DB , UniProt , Accession A0A096M7Q7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 962 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M42.6Very low60.8Low234 Ų234112.2 Ų112.2100%1.15362%0.618SS**  097.50-85.6168.542.700108.1
2T51.4Low62.6Low135 Ų135110.8 Ų110.883%0.82861%0.607SS**  trans-149.1-3.8-165.90.80000116.4L4T2-L4 PolarHBondContact O-N 3.5Å
3L51.1Low64.2Low168 Ų168112.4 Ų112.488%0.8860%0.599SS**THydrogen-bonded Turntrans-81.845.4178.1-74.7170.1000113.8
4L55.2Low65.6Low111 Ų111109.2 Ų109.258%0.58159%0.59SS**THydrogen-bonded Turntrans-118.9-12.4176.2-68.6-179.2000114.3T2 S9 R13T2-L4 PolarHBondContact O-N 3.5Å; L4-S9 WeakPolarHBondContact O-CB 3.42Å; L4-S9 PolarHBondContact O-OG 3.23Å; L4-R13 PolarHBondContact O-NH1 3.24Å
5G51.1Low67.2Low63 Ų63110.5 Ų110.565%0.64959%0.588SS**  trans-10211.6-174.600000116
6S66Low68.8Low62 Ų62111.9 Ų111.943%0.43459%0.588SS.*SBendtrans-75.6147.6173.562.20000111.5H8 S9 I10S6-H8 PolarHBondContact O-N 3.36Å; S6-H8 VanDerWaalsContact O-N 3.08Å; S6-S9 WeakPolarHBondContact O-CA 3.39Å; S6-S9 VanDerWaalsContact O-CB 3.24Å; S6-S9 WeakPolarHBondContact O-CB 3.5Å; S6-S9 PolarHBondContact O-N 3.05Å; S6-S9 PolarHBondContact OG-N 3.14Å; S6-I10 PolarHBondContact O-N 3.4Å
7E65.4Low70Confident146 Ų146115.9 Ų115.968%0.68259%0.593SS**Hα-helixtrans-51.5-35174.6-68.1-52.6120.300112.7S9 I10 L11E7-S9 PolarHBondContact O-N 3.45Å; E7-I10 PolarHBondContact O-N 3.3Å; E7-L11 WeakPolarHBondContact O-CB 3.46Å; E7-L11 PolarHBondContact O-N 2.84Å
8H63Low71.2Confident128 Ų128113.6 Ų113.659%0.59359%0.589SS**Hα-helixtrans-65.2-37.2176.2-154.9-116.1000112.8S6 I12S6-H8 PolarHBondContact O-N 3.36Å; S6-H8 VanDerWaalsContact O-N 3.08Å; H8-I12 WeakPolarHBondContact O-CB 3.39Å; H8-I12 WeakPolarHBondContact O-CD1 3.43Å; H8-I12 WeakPolarHBondContact O-CG1 3.3Å; H8-I12 PolarHBondContact O-N 2.64Å
9S69.9Low72.4Confident18 Ų18112.2 Ų112.213%0.12659%0.586CS.*Hα-helixtrans-62.9-43.2171.6167.80000111.4L4 S6 E7 I12 R13L4-S9 WeakPolarHBondContact O-CB 3.42Å; L4-S9 PolarHBondContact O-OG 3.23Å; S6-S9 WeakPolarHBondContact O-CA 3.39Å; S6-S9 VanDerWaalsContact O-CB 3.24Å; S6-S9 WeakPolarHBondContact O-CB 3.5Å; S6-S9 PolarHBondContact O-N 3.05Å; S6-S9 PolarHBondContact OG-N 3.14Å; E7-S9 PolarHBondContact O-N 3.45Å; S9-I12 PolarHBondContact O-N 3.1Å; S9-R13 WeakPolarHBondContact O-CB 3.37Å; S9-R13 WeakPolarHBondContact O-CD 3.42Å; S9-R13 VanDerWaalsContact O-CG 3.27Å; S9-R13 WeakPolarHBondContact O-CG 3.38Å; S9-R13 PolarHBondContact O-N 3.41Å
10I76.4Confident73.5Confident86 Ų86110.8 Ų110.844%0.44158%0.578SS.*Hα-helixtrans-64.2-46.2178.2-59174.4000110.4S6 E7 I12 R13 S14S6-I10 PolarHBondContact O-N 3.4Å; E7-I10 PolarHBondContact O-N 3.3Å; I10-I12 PolarHBondContact O-N 3.38Å; I10-R13 PolarHBondContact O-N 3.06Å; I10-S14 WeakPolarHBondContact O-CB 3.3Å; I10-S14 PolarHBondContact O-N 2.88Å
11L76.6Confident74.4Confident83 Ų83111.6 Ų111.644%0.43558%0.579SS.*Hα-helixtrans-63.4-41.4178.4-174.960.7000112.6E7 S14 K15E7-L11 WeakPolarHBondContact O-CB 3.46Å; E7-L11 PolarHBondContact O-N 2.84Å; L11-S14 PolarHBondContact O-N 3.13Å; L11-K15 HydrophobicContact CD1-CD 4.42Å; L11-K15 HydrophobicContact CG-CD 4.26Å; L11-K15 WeakPolarHBondContact O-CB 3.47Å; L11-K15 WeakPolarHBondContact O-CG 3.3Å; L11-K15 PolarHBondContact O-N 3.28Å
12I82.9Confident76.8Confident95 Ų95105.3 Ų105.349%0.48755%0.55SS..Hα-helixtrans-62.9-47.1175.2-72165.5000110.5H8 S9 I10 S14 K15 F16H8-I12 WeakPolarHBondContact O-CB 3.39Å; H8-I12 WeakPolarHBondContact O-CD1 3.43Å; H8-I12 WeakPolarHBondContact O-CG1 3.3Å; H8-I12 PolarHBondContact O-N 2.64Å; S9-I12 PolarHBondContact O-N 3.1Å; I10-I12 PolarHBondContact O-N 3.38Å; I12-S14 PolarHBondContact O-N 3.2Å; I12-K15 PolarHBondContact O-N 3.39Å; I12-F16 WeakPolarHBondContact O-CB 3.31Å; I12-F16 PolarHBondContact O-N 3.12Å
13R82.9Confident78.8Confident132 Ų132107 Ų10750%0.49854%0.541SS..Hα-helixtrans-60.7-42.6177-75166165.2173.8-6.7112.2L4 S9 I10 F16 R17L4-R13 PolarHBondContact O-NH1 3.24Å; S9-R13 WeakPolarHBondContact O-CB 3.37Å; S9-R13 WeakPolarHBondContact O-CD 3.42Å; S9-R13 VanDerWaalsContact O-CG 3.27Å; S9-R13 WeakPolarHBondContact O-CG 3.38Å; S9-R13 PolarHBondContact O-N 3.41Å; I10-R13 PolarHBondContact O-N 3.06Å; R13-F16 PolarHBondContact O-N 3.08Å; R13-R17 WeakPolarHBondContact O-CB 3.5Å; R13-R17 PolarHBondContact O-N 3.04Å
14S84.1Confident80.9Confident68 Ų68103.3 Ų103.348%0.47652%0.522SS..Hα-helixtrans-62.5-48.7177-174.70000111.9I10 L11 I12 F16 R17 S18I10-S14 WeakPolarHBondContact O-CB 3.3Å; I10-S14 PolarHBondContact O-N 2.88Å; L11-S14 PolarHBondContact O-N 3.13Å; I12-S14 PolarHBondContact O-N 3.2Å; S14-F16 PolarHBondContact O-N 3.37Å; S14-R17 PolarHBondContact O-N 3.2Å; S14-S18 PolarHBondContact O-N 3.31Å
15K89Confident82.6Confident128 Ų128102.4 Ų102.456%0.55752%0.515SS*.Hα-helixtrans-60.1-44.6175.4-74174178175.60112L11 I12 S18 V19L11-K15 HydrophobicContact CD1-CD 4.42Å; L11-K15 HydrophobicContact CG-CD 4.26Å; L11-K15 WeakPolarHBondContact O-CB 3.47Å; L11-K15 WeakPolarHBondContact O-CG 3.3Å; L11-K15 PolarHBondContact O-N 3.28Å; I12-K15 PolarHBondContact O-N 3.39Å; K15-S18 PolarHBondContact O-N 3.16Å; K15-V19 WeakPolarHBondContact O-CG2 3.39Å; K15-V19 PolarHBondContact O-N 2.68Å
16F93.1Very high84.4Confident134 Ų134103.9 Ų103.959%0.58851%0.505SS*.Hα-helixtrans-63.3-42.1177.6-173.3-110.1000112.3I12 R13 S14 S18 V19 L20I12-F16 WeakPolarHBondContact O-CB 3.31Å; I12-F16 PolarHBondContact O-N 3.12Å; R13-F16 PolarHBondContact O-N 3.08Å; S14-F16 PolarHBondContact O-N 3.37Å; F16-S18 VanDerWaalsContact C-N 3.35Å; F16-S18 PolarHBondContact O-N 3.37Å; F16-V19 PolarHBondContact O-N 2.92Å; F16-L20 HydrophobicContact CD1-CD1 3.87Å; F16-L20 HydrophobicContact CD1-CG 4.46Å; F16-L20 HydrophobicContact CE1-CD1 3.46Å; F16-L20 VanDerWaalsContact CE1-CD1 3.46Å; F16-L20 HydrophobicContact CE1-CG 4.16Å; F16-L20 HydrophobicContact CZ-CD1 3.92Å; F16-L20 HydrophobicContact CZ-CD2 4.44Å; F16-L20 HydrophobicContact CZ-CG 4.21Å; F16-L20 WeakPolarHBondContact O-CG 3.42Å; F16-L20 PolarHBondContact O-N 3.32Å
17R89.6Confident85.4Confident179 Ų179108.3 Ų108.368%0.67551%0.512SS*.Hα-helixtrans-60.5-43.3174.3-166179.879.1166.73.3111.7R13 S14 L20 Q21R13-R17 WeakPolarHBondContact O-CB 3.5Å; R13-R17 PolarHBondContact O-N 3.04Å; S14-R17 PolarHBondContact O-N 3.2Å; R17-L20 PolarHBondContact O-N 3.15Å; R17-Q21 WeakPolarHBondContact O-CB 3.26Å; R17-Q21 PolarHBondContact O-N 3.18Å
18S91.4Very high86.4Confident75 Ų75107.5 Ų107.552%0.52450%0.503SS..Hα-helixtrans-62.1-46.4176.5-175.90000112.3S14 K15 F16 L20 Q21 L22S14-S18 PolarHBondContact O-N 3.31Å; K15-S18 PolarHBondContact O-N 3.16Å; F16-S18 VanDerWaalsContact C-N 3.35Å; F16-S18 PolarHBondContact O-N 3.37Å; S18-L20 PolarHBondContact O-N 2.83Å; S18-Q21 PolarHBondContact O-N 3Å; S18-L22 WeakPolarHBondContact O-CB 3.45Å; S18-L22 PolarHBondContact O-N 3.4Å
19V94.1Very high87.4Confident86 Ų86104.3 Ų104.352%0.52149%0.492SS..Hα-helixtrans-63.1-41.1177172.20000111.9K15 F16 L22 R23K15-V19 WeakPolarHBondContact O-CG2 3.39Å; K15-V19 PolarHBondContact O-N 2.68Å; F16-V19 PolarHBondContact O-N 2.92Å; V19-L22 PolarHBondContact O-N 3.19Å; V19-R23 WeakPolarHBondContact O-CB 3.46Å; V19-R23 WeakPolarHBondContact O-CG 3.45Å; V19-R23 PolarHBondContact O-N 2.85Å
20L94.6Very high87.9Confident84 Ų84111.3 Ų111.344%0.4452%0.516SS..Hα-helixtrans-63.1-43.2173.5-76.7177.9000112.1F16 R17 S18 L22 R23 L24F16-L20 HydrophobicContact CD1-CD1 3.87Å; F16-L20 HydrophobicContact CD1-CG 4.46Å; F16-L20 HydrophobicContact CE1-CD1 3.46Å; F16-L20 VanDerWaalsContact CE1-CD1 3.46Å; F16-L20 HydrophobicContact CE1-CG 4.16Å; F16-L20 HydrophobicContact CZ-CD1 3.92Å; F16-L20 HydrophobicContact CZ-CD2 4.44Å; F16-L20 HydrophobicContact CZ-CG 4.21Å; F16-L20 WeakPolarHBondContact O-CG 3.42Å; F16-L20 PolarHBondContact O-N 3.32Å; R17-L20 PolarHBondContact O-N 3.15Å; S18-L20 PolarHBondContact O-N 2.83Å; L20-L22 PolarHBondContact O-N 3.36Å; L20-R23 PolarHBondContact O-N 3.24Å; L20-L24 WeakPolarHBondContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.44Å; L20-L24 PolarHBondContact O-N 3.01Å
21Q91.4Very high87.7Confident128 Ų128111 Ų11160%0.59851%0.512SS*.Hα-helixtrans-64.3-40.1178.8-169.1168.12.900111.6R17 S18 L24 Q25R17-Q21 WeakPolarHBondContact O-CB 3.26Å; R17-Q21 PolarHBondContact O-N 3.18Å; S18-Q21 PolarHBondContact O-N 3Å; Q21-L24 PolarHBondContact O-N 3.03Å; Q21-Q25 WeakPolarHBondContact O-CB 3.21Å; Q21-Q25 PolarHBondContact O-N 3.15Å
22L94.3Very high87.6Confident102 Ų102112.2 Ų112.253%0.53452%0.516SS..Hα-helixtrans-64.4-43.8172.5-179.861.6000112.1S18 V19 L20 Q25 Q26S18-L22 WeakPolarHBondContact O-CB 3.45Å; S18-L22 PolarHBondContact O-N 3.4Å; V19-L22 PolarHBondContact O-N 3.19Å; L20-L22 PolarHBondContact O-N 3.36Å; L22-Q25 PolarHBondContact O-N 3.31Å; L22-Q26 WeakPolarHBondContact O-CG 3.45Å; L22-Q26 PolarHBondContact O-N 3.49Å
23R93.1Very high87.1Confident171 Ų171111.1 Ų111.165%0.64551%0.51SS*.Hα-helixtrans-64.1-39176.2-78-59.5-157.6179.58.1112.7V19 L20 Q26 R27V19-R23 WeakPolarHBondContact O-CB 3.46Å; V19-R23 WeakPolarHBondContact O-CG 3.45Å; V19-R23 PolarHBondContact O-N 2.85Å; L20-R23 PolarHBondContact O-N 3.24Å; R23-Q26 VanDerWaalsContact NH1-OE1 3.14Å; R23-R27 WeakPolarHBondContact O-CB 3.31Å; R23-R27 PolarHBondContact O-N 3.45Å
24L93.9Very high86.4Confident91 Ų91107.4 Ų107.448%0.47651%0.508SS..Hα-helixtrans-66-38.9173.8-75.2165.4000111.7L20 Q21 R27 R28L20-L24 WeakPolarHBondContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.44Å; L20-L24 PolarHBondContact O-N 3.01Å; Q21-L24 PolarHBondContact O-N 3.03Å; L24-R27 PolarHBondContact O-N 3.37Å; L24-R28 PolarHBondContact O-N 3.37Å
25Q91.1Very high85.7Confident92 Ų92110.9 Ų110.943%0.4352%0.522SS..Hα-helixtrans-66.8-45.9174.9-169.261.717.200111.8Q21 L22 R27 R28 T29Q21-Q25 WeakPolarHBondContact O-CB 3.21Å; Q21-Q25 PolarHBondContact O-N 3.15Å; L22-Q25 PolarHBondContact O-N 3.31Å; Q25-R27 VanDerWaalsContact C-N 3.26Å; Q25-R27 PolarHBondContact O-N 3.41Å; Q25-R28 PolarHBondContact O-N 3.1Å; Q25-T29 PolarHBondContact O-N 2.76Å; Q25-T29 PolarHBondContact O-OG1 2.73Å
26Q88.8Confident84.9Confident94 Ų94111.2 Ų111.244%0.43953%0.525SS..Hα-helixtrans-56.4-39.6173.2-75.2176.9-600112.1L22 R23 R30L22-Q26 WeakPolarHBondContact O-CG 3.45Å; L22-Q26 PolarHBondContact O-N 3.49Å; R23-Q26 VanDerWaalsContact NH1-OE1 3.14Å; Q26-R30 VanDerWaalsContact O-CB 3.27Å; Q26-R30 WeakPolarHBondContact O-CB 3.45Å; Q26-R30 PolarHBondContact O-N 3.47Å
27R86.9Confident83.2Confident155 Ų155107.7 Ų107.759%0.58553%0.527SS*.Hα-helixtrans-61.3-52.8174.3172.8173.1-79.8-178.5-5.2111.2R23 L24 Q25 T29 R30 E31R23-R27 WeakPolarHBondContact O-CB 3.31Å; R23-R27 PolarHBondContact O-N 3.45Å; L24-R27 PolarHBondContact O-N 3.37Å; Q25-R27 VanDerWaalsContact C-N 3.26Å; Q25-R27 PolarHBondContact O-N 3.41Å; R27-T29 PolarHBondContact O-N 2.95Å; R27-R30 PolarHBondContact O-N 3.21Å; R27-R30 VanDerWaalsContact O-N 3.16Å; R27-E31 VanDerWaalsContact CD-OE1 3.23Å; R27-E31 WeakPolarHBondContact CD-OE1 3.46Å; R27-E31 HydrophobicContact CG-CG 4.38Å; R27-E31 WeakPolarHBondContact CG-OE1 3.45Å; R27-E31 WeakPolarHBondContact CG-OE2 3.26Å; R27-E31 IonicContact NE-OE1 2.61Å; R27-E31 WeakPolarHBondContact O-CG 3.28Å; R27-E31 PolarHBondContact O-N 3.14Å
28R86.9Confident82.1Confident129 Ų129104.6 Ų104.649%0.48752%0.522SS..Hα-helixtrans-59.1-43.5178.3-67.5-169.7-155.7101.70.3112.9L24 Q25 R30 E31 Q32L24-R28 PolarHBondContact O-N 3.37Å; Q25-R28 PolarHBondContact O-N 3.1Å; R28-R30 VanDerWaalsContact C-N 3.33Å; R28-R30 PolarHBondContact O-N 3.01Å; R28-E31 PolarHBondContact O-N 2.77Å; R28-Q32 WeakPolarHBondContact O-CB 3.33Å; R28-Q32 VanDerWaalsContact O-CG 3.31Å; R28-Q32 WeakPolarHBondContact O-CG 3.48Å; R28-Q32 PolarHBondContact O-N 3.27Å
29T84.8Confident79.9Confident60 Ų60106.6 Ų106.637%0.36852%0.524SS..Hα-helixtrans-65.3-37.1178.1-58.60000111.5Q25 R27 L33Q25-T29 PolarHBondContact O-N 2.76Å; Q25-T29 PolarHBondContact O-OG1 2.73Å; R27-T29 PolarHBondContact O-N 2.95Å; T29-L33 HydrophobicContact CG2-CD1 4.28Å; T29-L33 WeakPolarHBondContact O-CB 3.47Å; T29-L33 VanDerWaalsContact O-CG 3.26Å; T29-L33 WeakPolarHBondContact O-CG 3.31Å; T29-L33 PolarHBondContact O-N 3.4Å
30R79.3Confident77.7Confident165 Ų165107.6 Ų107.662%0.62353%0.533SS*.Hα-helixtrans-68.9-36.5173.6176.3178159.7-78.70.6112.7Q26 R27 R28 L33 A34Q26-R30 VanDerWaalsContact O-CB 3.27Å; Q26-R30 WeakPolarHBondContact O-CB 3.45Å; Q26-R30 PolarHBondContact O-N 3.47Å; R27-R30 PolarHBondContact O-N 3.21Å; R27-R30 VanDerWaalsContact O-N 3.16Å; R28-R30 VanDerWaalsContact C-N 3.33Å; R28-R30 PolarHBondContact O-N 3.01Å; R30-L33 PolarHBondContact O-N 2.91Å; R30-A34 PolarHBondContact O-N 3.05Å
31E73.2Confident75.4Confident80 Ų80110.1 Ų110.137%0.37455%0.546SS..Hα-helixtrans-65.8-49173.8-74.2156.8178.100110R27 R28 L33 A34 D35R27-E31 VanDerWaalsContact CD-OE1 3.23Å; R27-E31 WeakPolarHBondContact CD-OE1 3.46Å; R27-E31 HydrophobicContact CG-CG 4.38Å; R27-E31 WeakPolarHBondContact CG-OE1 3.45Å; R27-E31 WeakPolarHBondContact CG-OE2 3.26Å; R27-E31 IonicContact NE-OE1 2.61Å; R27-E31 WeakPolarHBondContact O-CG 3.28Å; R27-E31 PolarHBondContact O-N 3.14Å; R28-E31 PolarHBondContact O-N 2.77Å; E31-L33 VanDerWaalsContact C-N 3.25Å; E31-L33 PolarHBondContact O-N 2.84Å; E31-A34 WeakPolarHBondContact O-CA 3.41Å; E31-A34 WeakPolarHBondContact O-CB 3.36Å; E31-A34 PolarHBondContact O-N 2.85Å; E31-D35 VanDerWaalsContact O-CG 3.3Å; E31-D35 PolarHBondContact O-N 3.06Å
32Q74.1Confident72.8Confident108 Ų108111 Ų11151%0.50556%0.555SS.*Hα-helixtrans-59.3-29.4173.6-72.3173.7-30.200114.1R28 Q36R28-Q32 WeakPolarHBondContact O-CB 3.33Å; R28-Q32 VanDerWaalsContact O-CG 3.31Å; R28-Q32 WeakPolarHBondContact O-CG 3.48Å; R28-Q32 PolarHBondContact O-N 3.27Å; Q32-Q36 WeakPolarHBondContact O-CB 3.47Å; Q32-Q36 VanDerWaalsContact O-CG 3.3Å; Q32-Q36 WeakPolarHBondContact O-CG 3.36Å; Q32-Q36 PolarHBondContact O-N 3.19Å; Q32-Q36 PolarHBondContact O-NE2 3Å
33L72.6Confident70.2Confident72 Ų72113.1 Ų113.138%0.37756%0.562SS.*Hα-helixtrans-79.2-27173.4-74.6168.7000113.1T29 R30 E31 I38T29-L33 HydrophobicContact CG2-CD1 4.28Å; T29-L33 WeakPolarHBondContact O-CB 3.47Å; T29-L33 VanDerWaalsContact O-CG 3.26Å; T29-L33 WeakPolarHBondContact O-CG 3.31Å; T29-L33 PolarHBondContact O-N 3.4Å; R30-L33 PolarHBondContact O-N 2.91Å; E31-L33 VanDerWaalsContact C-N 3.25Å; E31-L33 PolarHBondContact O-N 2.84Å; L33-I38 HydrophobicContact CD2-CB 4.49Å; L33-I38 HydrophobicContact CD2-CD1 3.81Å; L33-I38 HydrophobicContact CD2-CG2 4.5Å; L33-I38 PolarHBondContact O-N 3.31Å; L33-I38 VanDerWaalsContact O-N 3.15Å
34A68.4Low67.3Low54 Ų54108.6 Ų108.645%0.44657%0.568SS.*Hα-helixtrans-75.1-44.1171.800000111.1R30 E31 Q36 G37R30-A34 PolarHBondContact O-N 3.05Å; E31-A34 WeakPolarHBondContact O-CA 3.41Å; E31-A34 WeakPolarHBondContact O-CB 3.36Å; E31-A34 PolarHBondContact O-N 2.85Å; A34-Q36 PolarHBondContact O-N 2.96Å; A34-G37 PolarHBondContact O-N 3.16Å
35D69.4Low64.3Low142 Ų142113.6 Ų113.676%0.75959%0.586SS**Hα-helixtrans-64.3-27.7177.1-62.8-21.9000112.4E31 G37E31-D35 VanDerWaalsContact O-CG 3.3Å; E31-D35 PolarHBondContact O-N 3.06Å; D35-G37 VanDerWaalsContact C-N 3.31Å
36Q72.1Confident61.3Low135 Ų135119.1 Ų119.163%0.63161%0.609SS**THydrogen-bonded Turntrans-84.54.1171.5-74.5174.3101.800113.9Q32 A34 I38Q32-Q36 WeakPolarHBondContact O-CB 3.47Å; Q32-Q36 VanDerWaalsContact O-CG 3.3Å; Q32-Q36 WeakPolarHBondContact O-CG 3.36Å; Q32-Q36 PolarHBondContact O-N 3.19Å; Q32-Q36 PolarHBondContact O-NE2 3Å; A34-Q36 PolarHBondContact O-N 2.96Å; Q36-I38 VanDerWaalsContact C-N 3.25Å; Q36-I38 HydrophobicContact CB-CD1 3.92Å; Q36-I38 HydrophobicContact CB-CG1 4.29Å; Q36-I38 PolarHBondContact O-N 3.45Å
37G57Low58.6Low60 Ų60120.4 Ų120.462%0.61963%0.626SS**THydrogen-bonded Turntrans70.113.3174.800000115.7A34 D35 M39A34-G37 PolarHBondContact O-N 3.16Å; D35-G37 VanDerWaalsContact C-N 3.31Å; G37-M39 PolarHBondContact O-N 2.88Å
38I66.8Low55.9Low114 Ų114121.5 Ų121.559%0.58564%0.635SS**  trans-78.4-12.1-176.4-63.7162.3000111.5L33 Q36L33-I38 HydrophobicContact CD2-CB 4.49Å; L33-I38 HydrophobicContact CD2-CD1 3.81Å; L33-I38 HydrophobicContact CD2-CG2 4.5Å; L33-I38 PolarHBondContact O-N 3.31Å; L33-I38 VanDerWaalsContact O-N 3.15Å; Q36-I38 VanDerWaalsContact C-N 3.25Å; Q36-I38 HydrophobicContact CB-CD1 3.92Å; Q36-I38 HydrophobicContact CB-CG1 4.29Å; Q36-I38 PolarHBondContact O-N 3.45Å
39M45.6Very low53.1Low116 Ų116123.6 Ų123.657%0.57165%0.65SS**SBendtrans-93.7131.1172.3-67.9-63.8-57.400111.1G37 L41G37-M39 PolarHBondContact O-N 2.88Å; M39-L41 PolarHBondContact O-N 3.12Å
40P48.3Very low50.6Low108 Ų108128 Ų12870%0.70167%0.667SS**  trans-71.599.3-175.627.7-34.9000112.9N42P40-N42 PolarHBondContact O-N 2.84Å
41L46.6Very low48.1Very low137 Ų137126.7 Ų126.772%0.71767%0.672SS**  trans-73.5100.1174.3-171.469.3000110.4M39 H43M39-L41 PolarHBondContact O-N 3.12Å; L41-H43 WeakPolarHBondContact CD2-NE2 3.35Å; L41-H43 PolarHBondContact O-N 3.34Å
42N35.1Very low46.1Very low147 Ų147127.3 Ų127.379%0.78669%0.685SS**  trans-74.596.7-179.7-92.8-94.6000111.6P40P40-N42 PolarHBondContact O-N 2.84Å
43H40.7Very low44Very low145 Ų145132.7 Ų132.767%0.67170%0.702SS**  trans-10888.9165.8-72.2-20.3000109.7L41 K45L41-H43 WeakPolarHBondContact CD2-NE2 3.35Å; L41-H43 PolarHBondContact O-N 3.34Å; H43-K45 PolarHBondContact O-N 3.19Å
44G31.7Very low42Very low76 Ų76132.4 Ų132.478%0.78471%0.71SS**PPolyproline II helixtrans-64.5126.6173.900000111
45K31.2Very low40.1Very low197 Ų197138.5 Ų138.586%0.85773%0.727SS**PPolyproline II helixtrans-95.3132.7174.7-60.5175.2-176.9176.90108.7H43 P47H43-K45 PolarHBondContact O-N 3.19Å; K45-P47 WeakPolarHBondContact O-CD 3.38Å
46F28.3Very low39Very low207 Ų207138 Ų13891%0.90872%0.72SS**PPolyproline II helixtrans-71131.2171.7-71.1-85.5000111.4
47P31.7Very low37.5Very low121 Ų121139.7 Ų139.779%0.78673%0.728SS**PPolyproline II helixtrans-90.6148.3148.913.55.8000110.3K45K45-P47 WeakPolarHBondContact O-CD 3.38Å
48K31.1Very low36.7Very low179 Ų179144.1 Ų144.178%0.77874%0.737SS**  trans-105.2131168-80.9-171.6168.2-1610110.4
49Q27.4Very low35.7Very low173 Ų173143 Ų14381%0.80874%0.739SS**  trans-165.6132147-103.4-178.1-8900105.1
50E31.2Very low35.1Very low153 Ų153142.6 Ų142.672%0.71575%0.749SS**  cis72.494.527.2-59.9-179.5168.400114.9
51D27.7Very low34.3Very low136 Ų136142.7 Ų142.773%0.72775%0.751SS**  trans-157.9123.2146.3-102.9-48.4000106.7
52S32.1Very low33.7Very low94 Ų94144.8 Ų144.866%0.65776%0.758SS**  73.5131.786-57.10000113.2
53Y29.7Very low33.6Very low221 Ų221141.7 Ų141.787%0.86775%0.747SS**  cis-161.4162.52.8-141.3-132.1000107.5
54A30.8Very low33.1Very low65 Ų65143 Ų14354%0.53776%0.758SS.*  cis-127.3-114.72.600000110.5
55F28.5Very low33.1Very low183 Ų183144 Ų14480%0.80375%0.753SS**  cis-156.7119.50.8-174-89.6000111
56E46.3Very low33.6Very low131 Ų131140.9 Ų140.961%0.61275%0.753SS**  trans31.8144.8154.7-34.9-47.376.900122.1
57E40.2Very low33.7Very low170 Ų170138.4 Ų138.479%0.79474%0.744SS**  cis-170.5123.8-18.2170175.781.900109
58D39.1Very low33.6Very low153 Ų153140.1 Ų140.182%0.81874%0.742SS**  trans-171.896144.8-159.611.4000106.5
59S46.4Very low33.6Very low90 Ų90136.9 Ų136.963%0.62973%0.733SS**  61.4135.581.7-122.80000114.5
60S33.5Very low33.5Very low109 Ų109136.1 Ų136.176%0.76273%0.729SS**  cis-140.41640.8-49.50000111.8
61S31Very low33.5Very low109 Ų109134 Ų13476%0.76273%0.732SS**  trans-103.6170.1178.1-570000112.7
62E33Very low33.6Very low182 Ų182134.7 Ų134.785%0.8574%0.735SS**  trans73.7160.8149.2-114.4-172.585.600117.2
63S33.8Very low33.6Very low81 Ų81137.8 Ų137.857%0.56674%0.74SS**  cis-149.2171.15.8-48.80000113.2
64L29.6Very low33.8Very low173 Ų173131.1 Ų131.191%0.90673%0.725SS**  trans92.8143.9153.5-55.1-170.6000122.7
65S33.1Very low33.8Very low96 Ų96136.5 Ų136.567%0.67174%0.739SS**  trans-88.1-173.7-179.4-430000113.8
66P41.3Very low33.8Very low133 Ų133131.3 Ų131.386%0.86474%0.737SS**  -136.2174.7100.539.1-29.6000116
67E30.6Very low33.1Very low154 Ų154130.6 Ų130.672%0.7275%0.747SS**  trans-90.7162.9-170.9-111.3102.590.100116.6
68Q30.1Very low32.4Very low158 Ų158126.9 Ų126.974%0.73875%0.745SS**  trans65137.1148.6-76.4-178.120.400118.8
69N29.3Very low32.1Very low110 Ų110125.4 Ų125.459%0.58875%0.745SS**  cis-172.2159.136.8-109.3-19.3000113.1
70H26.4Very low32Very low157 Ų157126.7 Ų126.773%0.72775%0.751SS**  trans49.6138.8147.9-57.9-52.4000124.9
71S30.8Very low31.7Very low110 Ų110127.1 Ų127.177%0.76975%0.754SS**  trans63.7130144.2-68.50000119.6
72D30.6Very low31.9Very low150 Ų150126.2 Ų126.280%0.80275%0.748SS**  94179.566.5-139-35.6000111.8
73E31.3Very low32.4Very low159 Ų159125.4 Ų125.474%0.74375%0.75SS**  trans-57.1160.5-156.959.7167.9120.800121.2
74S33.2Very low32Very low80 Ų80126 Ų12656%0.55976%0.759SS**  trans97.8133.4139.9-1140000121.7
75Q32Very low31.9Very low179 Ų179124.9 Ų124.984%0.83676%0.759SS**  trans60.4131158.7-46.8-48.3-51.500121.3
76G28.4Very low31.8Very low73 Ų73123.9 Ų123.975%0.75376%0.764SS**  trans136.197.9136.400000119.5
77S30.9Very low31.1Very low117 Ų117123 Ų12382%0.81876%0.761SS**  trans48.3113.6134.7-172.30000122.2
78A27Very low31Very low92 Ų92122.3 Ų122.376%0.7677%0.768SS**  trans65.5131.8136.300000122.1
79C32.1Very low30.9Very low121 Ų121119.5 Ų119.582%0.81877%0.771SS**  trans-68.4173.5153.6-40.70000110.5
80P44.9Very low30.9Very low117 Ų117120 Ų12076%0.7678%0.783SS**  cis-146.4-176.211.244.9-26.1000117.5
81S26.3Very low31.4Very low118 Ų118118 Ų11883%0.82579%0.787SS**  trans75.8176.2143.4-146.20000120.5
82S35.8Very low31.9Very low91 Ų91117.9 Ų117.964%0.63679%0.787SS**  trans-109.2179.9-145.5-47.30000115.1
83D42.7Very low32Very low165 Ų165115.5 Ų115.588%0.88278%0.782SS**  trans81.1130147-61-42.3000120.9
84A25.6Very low31.7Very low93 Ų93113.4 Ų113.477%0.76979%0.785SS**  trans-150.8115164.400000111.9
85V27.8Very low32.4Very low150 Ų150115.1 Ų115.191%0.90979%0.793SS**  trans16.4151.1144.1-53.10000121.3
86G30.2Very low32.1Very low75 Ų75110.6 Ų110.677%0.77379%0.787SS**  cis147.7165.4000000112.2
87S27.1Very low32Very low115 Ų115114.4 Ų114.480%0.80479%0.789SS**SBendtrans-117.7131.1177.1-72.60000113
88T29Very low31.9Very low139 Ų139115.1 Ų115.185%0.85379%0.789SS**  trans39.9120.115457.20000119.7
89A27.8Very low31.8Very low98 Ų98116 Ų11681%0.8179%0.789SS**  trans-81.2143.5168.900000113.7
90S30Very low32.8Very low120 Ų120115.4 Ų115.484%0.83978%0.784SS**  trans-168.8117.8135.6-76.80000107.3
91S36.2Very low32Very low115 Ų115119.3 Ų119.380%0.80478%0.784SS**  cis-146179.85.4-71.10000112.2
92S40.6Very low32Very low109 Ų109121.1 Ų121.176%0.76278%0.779SS**  trans-66.9160.7-160.856.50000120
93S33.1Very low31.6Very low100 Ų100119.7 Ų119.770%0.69978%0.778SS**  trans106.8108135.479.90000121
94S25.2Very low30.9Very low115 Ų115117.7 Ų117.780%0.80478%0.777SS**  trans64.4-179134.7-45.10000117.6
95P48.5Very low31.1Very low115 Ų115117.1 Ų117.175%0.74777%0.773SS**  -137.7178.3-99.340.7-20.9000116.9
96A25.4Very low30.9Very low84 Ų84115.7 Ų115.769%0.69476%0.764SS**  trans74.8127.8140.900000122.4
97L27.1Very low30.8Very low154 Ų154123.3 Ų123.381%0.80677%0.77SS**  trans81.6137.2136.5-70167.6000123.1
98T28.6Very low30.8Very low132 Ų132121 Ų12181%0.8176%0.764SS**  trans80.6137.6144.444.20000123.6
99S24.9Very low31.8Very low110 Ų110120.2 Ų120.277%0.76976%0.762SS**  trans-61.9179158.2-135.40000112.5
100P52Low32.9Very low109 Ų109120.3 Ų120.371%0.70875%0.754SS**  cis-136.1-164.7-8.427.2-2.1000114
101R27.5Very low32.7Very low199 Ų199120.4 Ų120.475%0.75175%0.745SS**  108.7132.2123.1-138.5-167.2-169.9-152.915.3121
102Q27.4Very low32.7Very low155 Ų155122.4 Ų122.472%0.72474%0.742SS**  trans77.4160.6141.7-102.6172-15.900122.4
103G26.5Very low32.2Very low61 Ų61122 Ų12263%0.62974%0.739SS**  trans99.7120.6-171.300000111.6
104S28.3Very low32.1Very low123 Ų123124 Ų12486%0.8674%0.737SS**  cis53.6134.722.2810000113.9
105A29.5Very low32.2Very low81 Ų81126 Ų12667%0.66973%0.733SS**  cis-154.9149.516.600000108.9
106T24.8Very low31.5Very low120 Ų120128.4 Ų128.474%0.73674%0.735SS**  76.2134.886.6-57.70000115.8
107R27.5Very low31.6Very low235 Ų235127.5 Ų127.589%0.88773%0.733SS**  trans76.6125.9161.6-83.6167.1-155.1-125.54.7120.1
108G26.6Very low31.8Very low66 Ų66128.3 Ų128.368%0.6874%0.738SS**  trans-85.7-126.6137.100000108.4
109P50.6Low31.6Very low124 Ų124126.7 Ų126.781%0.80573%0.732SS**  cis-118.6-126.3-15.134.9-11.8000106.9
110P50.7Low31.8Very low100 Ų100127.1 Ų127.165%0.64974%0.735SS**  cis-128.9171.9-33.134.9-16.3000115
111D26.3Very low31.5Very low121 Ų121127.7 Ų127.765%0.64774%0.738SS**  -172.4131.8112.8-101.21.9000109.6
112Q35.8Very low31.5Very low157 Ų157125 Ų12573%0.73474%0.739SS**  65.7134.386.5-64.8-170.387.700113.5
113S29Very low31.5Very low100 Ų100122.5 Ų122.570%0.69974%0.735SS**  cis-134.1148.14.950.20000110.3
114Q31.3Very low31.6Very low142 Ų142126.3 Ų126.366%0.66474%0.74SS**  65.8149.977.4-120.7167.6-37.400113.1
115E28.9Very low32Very low157 Ų157129.2 Ų129.273%0.73474%0.741SS**  cis-134.7136.99.452.7-102.892.600114.3
116E32.5Very low32.1Very low167 Ų167132.5 Ų132.578%0.7875%0.752SS**  69137104.8-56.8-161.2109.100118.1
117G28.7Very low32.2Very low64 Ų64130.8 Ų130.866%0.6675%0.75SS**  cis168.1174.3-8.300000115
118L30.9Very low33.1Very low171 Ų171125.3 Ų125.390%0.89575%0.745SS**  trans72.1147.8156.8-52.4-175.5000118.6
119S24.4Very low33.9Very low98 Ų98127.3 Ų127.369%0.68575%0.746SS**  cis-160.4143.4-6.751.10000115.1
120S27.7Very low33Very low119 Ų119128.9 Ų128.983%0.83275%0.746SS**  trans67.7160.2141.3-62.50000123.3
121P47.3Very low32.3Very low121 Ų121129.7 Ų129.779%0.78675%0.751SS**  trans-129.9-164.5-169.542.1-23.2000115.1
122N26.5Very low32.4Very low142 Ų142130.3 Ų130.376%0.75976%0.759SS**  trans121152.4137.3-158.719.9000119.1
123T27.6Very low33.1Very low104 Ų104128.4 Ų128.464%0.63876%0.76SS**  trans105.599.2147.9-41.90000121.1
124N29.7Very low33Very low140 Ų140127.6 Ų127.675%0.74976%0.759SS**  trans38.6141.7130.9-59.2-34.3000125.8
125Q35.2Very low33.1Very low185 Ų185128.4 Ų128.486%0.86477%0.767SS**  trans-5.5136.5155.4-58.4-178.577.300121.8
126V31.2Very low33.3Very low149 Ų149127.1 Ų127.190%0.90377%0.769SS**  -173.1167.21261420000108.8
127A28.3Very low33.2Very low85 Ų85128.2 Ų128.270%0.70277%0.772SS**  trans-131175.6-179.800000111
128P46Very low33.4Very low119 Ų119130.2 Ų130.277%0.77378%0.775SS**  cis-124.9-145.7-7.643.1-25.3000110.7
129P43.4Very low33.4Very low108 Ų108130.9 Ų130.970%0.70177%0.771SS**  cis-117.5177.2-46.736.5-20.4000114.3
130I31.7Very low33.7Very low157 Ų157132 Ų13281%0.80577%0.773SS**  trans25.3132.6145.2-61.4170.3000119.2
131P36.3Very low33.9Very low117 Ų117131.4 Ų131.476%0.7677%0.769SS**  cis-139.6178.534.123.43.3000119.6
132V27.5Very low33.1Very low135 Ų135130.9 Ų130.982%0.81876%0.76SS**  trans-52.8174.5168-88.30000117.4
133P51Low33.6Very low117 Ų117132.4 Ų132.476%0.7676%0.76SS**  cis-136.7-178.9-35.938.1-21.1000113.7
134A27Very low33.9Very low82 Ų82134.7 Ų134.768%0.67877%0.769SS**  149.9123.4129.100000118.5
135I34.2Very low34.6Very low160 Ų160137.8 Ų137.882%0.82177%0.77SS**  trans62.5160.1130.7-50.6170.4000120.3
136V31.3Very low35.1Very low129 Ų129137 Ų13778%0.78277%0.766SS**  trans79.9117.7173.6-164.30000114.6
137K31.2Very low36.4Very low191 Ų191138.8 Ų138.883%0.8376%0.761SS**  cis105.685.520.8-173.3-166.9173.1179.20114.4
138S33.8Very low37.3Very low106 Ų106144.3 Ų144.374%0.74177%0.769SS**  trans-161.813815641.70000108.1
139K30.2Very low37.3Very low185 Ų185145.1 Ų145.180%0.80478%0.775SS**  64.8134.753.9-67.4-165.6173.9-170.30112.3
140T29.5Very low37.6Very low120 Ų120148.7 Ų148.774%0.73678%0.779SS**  cis-167.8170.5-5.713.30000108.6
141S32.2Very low38.4Very low107 Ų107147.3 Ų147.375%0.74877%0.774SS**  trans67163.4163.3-72.20000117.8
142D30.4Very low38.9Very low110 Ų110148.3 Ų148.359%0.58878%0.777SS**  cis169.9137.2-37.7-116-88.4000105.9
143K38.2Very low39.8Very low174 Ų174150.4 Ų150.476%0.75778%0.775SS**  trans47.6110.9151.9-60.3167-178.7108.60119.6
144N34Very low40Very low153 Ų153151.2 Ų151.282%0.81878%0.781SS**  -156.5173.1102.5-126.6-68.6000115.8
145R43.2Very low41.2Very low205 Ų205156.8 Ų156.877%0.77479%0.79SS**  trans-88.2156.6-175.4-61.7163.8167.9173.8-3.9112.1
146H46.6Very low42.2Very low169 Ų169156.3 Ų156.378%0.78279%0.793SS**  -177.4178.9100.4-99.5-81.3000111.6
147K58.8Low43.8Very low186 Ų186159.5 Ų159.581%0.80980%0.797SS**  trans-119.5135.6-153.4-65.1-179.6176.7178.60115.5
148K45.7Very low45.4Very low200 Ų200160.2 Ų160.287%0.8780%0.8SS**  trans68.1152154.9-68.8-174.4177.5-174.80115.2
149P47.7Very low46.6Very low137 Ų137162.7 Ų162.789%0.8980%0.804SS**  -127.8-15652.141-24.3000115.4
150K48.4Very low48.2Very low182 Ų182162.4 Ų162.479%0.79180%0.803SS**  trans-134.8142.6-160.4-179.4173.8178.9177.40114
151D48.9Very low49.7Very low129 Ų129167 Ų16769%0.6981%0.808SS**  trans36.6120.5161.4-72-61.5000122.7
152V46.9Very low51.6Low138 Ų138170.3 Ų170.384%0.83681%0.812SS**  trans-141.8103.3135.6-176.80000112.3
153K46.8Very low53.1Low179 Ų179173.7 Ų173.778%0.77882%0.824SS**  trans35.9112.4146.3-61.1179.1178.8177.70119.9
154P54.4Low54.3Low134 Ų134174 Ų17487%0.8782%0.822SS**PPolyproline II helixtrans-69.3142.2161.930.9-33.9000111.4
155K51.7Low55.6Low199 Ų199172.8 Ų172.887%0.86581%0.813SS**PPolyproline II helixtrans-96.7146.5173.5-78.3173.7178.2171.40111.4K157K155-K157 PolarHBondContact O-N 2.9Å
156V55.6Low56.3Low149 Ų149166.4 Ų166.490%0.90380%0.799SS**PPolyproline II helixtrans-48.5130.7-174.4-72.60000114.1
157K64.8Low56.8Low196 Ų196162.9 Ų162.985%0.85279%0.791SS**PPolyproline II helixtrans-103.5137.3157.7-73.5-177.3176.81780108K155 L159K155-K157 PolarHBondContact O-N 2.9Å; K157-L159 PolarHBondContact O-N 2.84Å
158K65.8Low56.6Low207 Ų207161.3 Ų161.390%0.979%0.791SS**PPolyproline II helixtrans-58.2131.6-176.4-64.3-177.5176.9-176.30110.1K160K158-K160 PolarHBondContact O-N 2.92Å; K158-K160 VanDerWaalsContact O-N 3.1Å
159L58.8Low57Low158 Ų158159.9 Ų159.983%0.82779%0.788SS**  trans-60.6115.6163.7-89.373.5000107.6K157K157-L159 PolarHBondContact O-N 2.84Å
160K63Low56.8Low178 Ų178162 Ų16277%0.77478%0.783SS**  trans-78.1119.4159.4-161.1172.5-173.9-179.40105.1K158 H162K158-K160 PolarHBondContact O-N 2.92Å; K158-K160 VanDerWaalsContact O-N 3.1Å; K160-H162 PolarHBondContact O-N 3.5Å
161Y62.4Low57.1Low218 Ų218160 Ų16086%0.85579%0.786SS**  trans-60.7103.7175.4-77.4-92.4000108.3Q163Y161-Q163 PolarHBondContact O-N 2.87Å; Y161-Q163 VanDerWaalsContact O-N 3.13Å
162H70.9Confident56.7Low176 Ų176161.5 Ų161.582%0.81579%0.789SS**  trans-70.2106.5165.9-77.9-78.4000106.5K160 Y164K160-H162 PolarHBondContact O-N 3.5Å; H162-Y164 PolarHBondContact O-N 2.91Å
163Q62.4Low56.8Low180 Ų180163.7 Ų163.784%0.84179%0.787SS**  trans-51.8123.6173-173.7168.87.200108.3Y161 I165Y161-Q163 PolarHBondContact O-N 2.87Å; Y161-Q163 VanDerWaalsContact O-N 3.13Å; Q163-I165 PolarHBondContact O-N 3.08Å
164Y62.7Low56.7Low182 Ų182159.3 Ų159.371%0.71478%0.779SS**  trans-66.9106.7-174.5179.1-96.9000109.4H162 P166 P167H162-Y164 PolarHBondContact O-N 2.91Å; Y164-P166 HydrophobicContact CD1-CG 4.33Å; Y164-P166 HydrophobicContact CE1-CB 4.25Å; Y164-P166 HydrophobicContact CE1-CG 4.15Å; Y164-P167 WeakPolarHBondContact OH-CD 3.28Å
165I62.7Low56.7Low126 Ų126157.8 Ų157.865%0.64677%0.769SS**  trans-85.5118.9166.5-60169.2000105.5Q163Q163-I165 PolarHBondContact O-N 3.08Å
166P57.8Low56.6Low71 Ų71153.9 Ų153.946%0.46176%0.764SS.*  trans-55.7148.1178.9-27.136000112.6Y164 D168Y164-P166 HydrophobicContact CD1-CG 4.33Å; Y164-P166 HydrophobicContact CE1-CB 4.25Å; Y164-P166 HydrophobicContact CE1-CG 4.15Å; P166-D168 PolarHBondContact O-N 3.11Å; P166-D168 VanDerWaalsContact O-N 3.11Å
167P56.4Low56.7Low95 Ų95152.5 Ų152.562%0.61776%0.758SS**G310 helixtrans-67.4-11.9-169.925.5-34.4000115.3Y164 Q169Y164-P167 WeakPolarHBondContact OH-CD 3.28Å; P167-Q169 PolarHBondContact O-N 3.08Å; P167-Q169 VanDerWaalsContact O-N 3.14Å
168D55.8Low56.7Low154 Ų154148 Ų14882%0.82474%0.741SS**G310 helixtrans-65.7-11.4-178.9-70.2-43.8000115.5P166P166-D168 PolarHBondContact O-N 3.11Å; P166-D168 VanDerWaalsContact O-N 3.11Å
169Q53.8Low57.4Low170 Ų170142.8 Ų142.879%0.79472%0.723SS**G310 helixtrans-102.721.9-177-65.2-167.67.500114.5P167P167-Q169 PolarHBondContact O-N 3.08Å; P167-Q169 VanDerWaalsContact O-N 3.14Å
170K43.9Very low58.4Low182 Ų182139.7 Ų139.779%0.79171%0.714SS**SBendtrans-120.8116.1161.3-67.6179.1-1751730107.9E172K170-E172 PolarHBondContact O-N 3.14Å
171V53Low59.6Low139 Ų139134.6 Ų134.684%0.84271%0.706SS**  trans-62.994163.8176.50000106.9K173V171-K173 PolarHBondContact O-N 3.09Å
172E40.7Very low60.8Low161 Ų161130.2 Ų130.275%0.75269%0.689SS**  trans-55130.5168.5-165.5174.2155.600107.1K170 S174K170-E172 PolarHBondContact O-N 3.14Å; E172-S174 PolarHBondContact O-N 3.46Å; E172-S174 VanDerWaalsContact O-N 3.12Å
173K48.8Very low61.7Low183 Ų183123.4 Ų123.480%0.79666%0.663SS**  trans-58.9123.7168.5-98.560.8177.9174.30105.5V171V171-K173 PolarHBondContact O-N 3.09Å
174S45.4Very low63.1Low88 Ų88122.5 Ų122.562%0.61565%0.651SS**  trans-39.9137.1178.5550000110.5E172E172-S174 PolarHBondContact O-N 3.46Å; E172-S174 VanDerWaalsContact O-N 3.12Å
175P55.6Low64.7Low102 Ų102118.3 Ų118.366%0.66264%0.641SS**SBendtrans-48.2137.517921-33.5000109.5
176P48.3Very low66.3Low116 Ų116115.5 Ų115.575%0.75363%0.627SS**SBendtrans-49.6126.4-164.418.5-32.6000109.7M178P176-M178 WeakPolarHBondContact O-CA 3.39Å; P176-M178 PolarHBondContact O-N 2.98Å
177P57.2Low68.1Low120 Ų120118.8 Ų118.878%0.77964%0.636SS**  trans-46.7101.8-163.5-33.936.4000112.5D179P177-D179 PolarHBondContact O-N 3.49Å; P177-D179 VanDerWaalsContact O-N 3.12Å
178M66.2Low69.9Low101 Ų101120.6 Ų120.650%0.49864%0.637SS.*  trans-59.5118.8-160.9-176.1165.845.800109.3P176 S180 Y182 A183 L186P176-M178 WeakPolarHBondContact O-CA 3.39Å; P176-M178 PolarHBondContact O-N 2.98Å; M178-S180 PolarHBondContact O-N 3.19Å; M178-Y182 HydrophobicContact CG-CD1 3.72Å; M178-Y182 HydrophobicContact CG-CE1 4.44Å; M178-Y182 HydrophobicContact SD-CD1 3.63Å; M178-Y182 HydrophobicContact SD-CE1 3.83Å; M178-A183 HydrophobicContact CB-CB 4.41Å; M178-A183 HydrophobicContact CE-CB 4.1Å; M178-A183 HydrophobicContact CG-CB 4.01Å; M178-L186 HydrophobicContact CE-CD2 4.05Å; M178-L186 HydrophobicContact SD-CD2 4.09Å
179D79.1Confident71.8Confident98 Ų98119.3 Ų119.352%0.52463%0.626SS.*  trans-58.2137.4-165.656.7-82.5000110.4P177 A181 Y182 A183P177-D179 PolarHBondContact O-N 3.49Å; P177-D179 VanDerWaalsContact O-N 3.12Å; D179-A181 CarbonylContact O-C 3.56Å; D179-A181 PolarHBondContact O-N 3.41Å; D179-Y182 PolarHBondContact O-N 3.06Å; D179-Y182 VanDerWaalsContact OD2-CB 3.24Å; D179-Y182 WeakPolarHBondContact OD2-CB 2.97Å; D179-Y182 PolarHBondContact OD2-N 3.28Å; D179-Y182 VanDerWaalsContact OD2-N 3.12Å; D179-A183 PolarHBondContact O-N 3.39Å
180S81.6Confident73.8Confident93 Ų93117 Ų11765%0.6561%0.614SS**THydrogen-bonded Turntrans-66.7-8.7-163660000114.4M178 R184M178-S180 PolarHBondContact O-N 3.19Å; S180-R184 VanDerWaalsContact O-CB 3.29Å; S180-R184 WeakPolarHBondContact O-CB 3.23Å
181A86.1Confident76.3Confident72 Ų72114.1 Ų114.160%0.59561%0.607SS**THydrogen-bonded Turntrans-80.5-54.4166.600000111.5D179 R184 L185D179-A181 CarbonylContact O-C 3.56Å; D179-A181 PolarHBondContact O-N 3.41Å; A181-R184 PolarHBondContact O-N 3.14Å; A181-L185 PolarHBondContact O-N 3.5Å
182Y89.4Confident78.5Confident126 Ų126114.1 Ų114.149%0.49460%0.596SS.*Hα-helixtrans-64.5-41.5178-174.3-96.2000112.7M178 D179 R184 L185 L186M178-Y182 HydrophobicContact CG-CD1 3.72Å; M178-Y182 HydrophobicContact CG-CE1 4.44Å; M178-Y182 HydrophobicContact SD-CD1 3.63Å; M178-Y182 HydrophobicContact SD-CE1 3.83Å; D179-Y182 PolarHBondContact O-N 3.06Å; D179-Y182 VanDerWaalsContact OD2-CB 3.24Å; D179-Y182 WeakPolarHBondContact OD2-CB 2.97Å; D179-Y182 PolarHBondContact OD2-N 3.28Å; D179-Y182 VanDerWaalsContact OD2-N 3.12Å; Y182-R184 PolarHBondContact O-N 3.49Å; Y182-L185 WeakPolarHBondContact O-CB 3.41Å; Y182-L185 PolarHBondContact O-N 3.45Å; Y182-L185 VanDerWaalsContact O-N 3.14Å; Y182-L186 WeakPolarHBondContact O-CB 3.27Å; Y182-L186 PolarHBondContact O-N 3.16Å
183A89.3Confident81.2Confident32 Ų32110.6 Ų110.626%0.26458%0.582SS.*Hα-helixtrans-57.7-37.617400000112.4M178 D179 Q187M178-A183 HydrophobicContact CB-CB 4.41Å; M178-A183 HydrophobicContact CE-CB 4.1Å; M178-A183 HydrophobicContact CG-CB 4.01Å; D179-A183 PolarHBondContact O-N 3.39Å; A183-Q187 WeakPolarHBondContact O-CB 3.31Å; A183-Q187 PolarHBondContact O-N 3.11Å
184R91.8Very high83.4Confident161 Ų161106.6 Ų106.661%0.60857%0.566SS**Hα-helixtrans-75.2-34.6177.2-169.8180-56.2175.15112.6S180 A181 Y182 Q187 Q188S180-R184 VanDerWaalsContact O-CB 3.29Å; S180-R184 WeakPolarHBondContact O-CB 3.23Å; A181-R184 PolarHBondContact O-N 3.14Å; Y182-R184 PolarHBondContact O-N 3.49Å; R184-Q187 PolarHBondContact O-N 3.44Å; R184-Q188 WeakPolarHBondContact O-CB 3.49Å; R184-Q188 PolarHBondContact O-N 2.98Å
185L96.4Very high85.8Confident94 Ų94107.9 Ų107.949%0.49257%0.566SS.*Hα-helixtrans-64.3-43.2172-179.962.4000111A181 Y182 Q188 Q189A181-L185 PolarHBondContact O-N 3.5Å; Y182-L185 WeakPolarHBondContact O-CB 3.41Å; Y182-L185 PolarHBondContact O-N 3.45Å; Y182-L185 VanDerWaalsContact O-N 3.14Å; L185-Q188 PolarHBondContact O-N 3.2Å; L185-Q189 WeakPolarHBondContact O-CB 3.04Å; L185-Q189 PolarHBondContact O-N 3.4Å
186L95.9Very high87.7Confident68 Ų68107.9 Ų107.936%0.35656%0.557SS.*Hα-helixtrans-62.7-45174.9-171.965.2000111.2M178 Y182 Q188 Q189 Q190M178-L186 HydrophobicContact CE-CD2 4.05Å; M178-L186 HydrophobicContact SD-CD2 4.09Å; Y182-L186 WeakPolarHBondContact O-CB 3.27Å; Y182-L186 PolarHBondContact O-N 3.16Å; L186-Q188 VanDerWaalsContact C-N 3.34Å; L186-Q188 PolarHBondContact O-N 2.84Å; L186-Q189 PolarHBondContact O-N 3.32Å; L186-Q190 WeakPolarHBondContact O-CB 3.34Å; L186-Q190 PolarHBondContact O-N 3.45Å
187Q94.6Very high90Very high140 Ų140105.7 Ų105.765%0.65454%0.538SS*.Hα-helixtrans-59.1-41.7173.2-171.9-174.73600112.5A183 R184 Q189 Q190 L191A183-Q187 WeakPolarHBondContact O-CB 3.31Å; A183-Q187 PolarHBondContact O-N 3.11Å; R184-Q187 PolarHBondContact O-N 3.44Å; Q187-Q189 VanDerWaalsContact C-N 3.35Å; Q187-Q190 PolarHBondContact O-N 2.91Å; Q187-L191 WeakPolarHBondContact O-CB 3.32Å; Q187-L191 PolarHBondContact O-N 3.33Å
188Q95.8Very high91.7Very high133 Ų133104.1 Ų104.162%0.62152%0.523SS*.Hα-helixtrans-64.8-38.9176-177.8178.7-1200111.7R184 L185 L186 L191 F192R184-Q188 WeakPolarHBondContact O-CB 3.49Å; R184-Q188 PolarHBondContact O-N 2.98Å; L185-Q188 PolarHBondContact O-N 3.2Å; L186-Q188 VanDerWaalsContact C-N 3.34Å; L186-Q188 PolarHBondContact O-N 2.84Å; Q188-L191 PolarHBondContact O-N 2.89Å; Q188-F192 WeakPolarHBondContact O-CB 3.49Å; Q188-F192 PolarHBondContact O-N 2.81Å
189Q95.9Very high92.9Very high127 Ų127102.4 Ų102.459%0.59352%0.52SS*.Hα-helixtrans-68.6-41.3177.2-163.2174.5107.100111.7L185 L186 Q187 L191 F192 L193L185-Q189 WeakPolarHBondContact O-CB 3.04Å; L185-Q189 PolarHBondContact O-N 3.4Å; L186-Q189 PolarHBondContact O-N 3.32Å; Q187-Q189 VanDerWaalsContact C-N 3.35Å; Q189-L191 PolarHBondContact O-N 3.16Å; Q189-F192 PolarHBondContact O-N 2.96Å; Q189-L193 PolarHBondContact O-N 3.13Å
190Q95.8Very high93.4Very high120 Ų120104.3 Ų104.356%0.56153%0.526SS*.Hα-helixtrans-57.8-46.7172.4-165.379.148.200111.5L186 Q187 L193 Q194L186-Q190 WeakPolarHBondContact O-CB 3.34Å; L186-Q190 PolarHBondContact O-N 3.45Å; Q187-Q190 PolarHBondContact O-N 2.91Å; Q190-L193 PolarHBondContact O-N 3.29Å; Q190-Q194 PolarHBondContact O-N 3.11Å
191L96.4Very high93.6Very high123 Ų123105.2 Ų105.264%0.64452%0.52SS*.Hα-helixtrans-66.2-38.8179-179.262.2000112.4Q187 Q188 Q189 Q194 L195Q187-L191 WeakPolarHBondContact O-CB 3.32Å; Q187-L191 PolarHBondContact O-N 3.33Å; Q188-L191 PolarHBondContact O-N 2.89Å; Q189-L191 PolarHBondContact O-N 3.16Å; L191-Q194 PolarHBondContact O-N 2.81Å; L191-L195 PolarHBondContact O-N 2.86Å; L191-L195 VanDerWaalsContact O-N 3.08Å
192F97.4Very high93.1Very high138 Ų138108.9 Ų108.961%0.60552%0.523SS*.Hα-helixtrans-62-45.9174.3178.3-94.1000111.4Q188 Q189 L195 Q196Q188-F192 WeakPolarHBondContact O-CB 3.49Å; Q188-F192 PolarHBondContact O-N 2.81Å; Q189-F192 PolarHBondContact O-N 2.96Å; F192-L195 PolarHBondContact O-N 3.28Å; F192-Q196 PolarHBondContact O-N 3.49Å
193L97.6Very high92Very high88 Ų88109 Ų10946%0.46153%0.527SS..Hα-helixtrans-63.5-42.2178.1-172.365.3000111.7Q189 Q190 L195 Q196 I197Q189-L193 PolarHBondContact O-N 3.13Å; Q190-L193 PolarHBondContact O-N 3.29Å; L193-L195 VanDerWaalsContact C-N 3.32Å; L193-L195 PolarHBondContact O-N 3.13Å; L193-Q196 PolarHBondContact O-N 2.95Å; L193-I197 HydrophobicContact CG-CD1 4.19Å; L193-I197 WeakPolarHBondContact O-CG1 3.3Å; L193-I197 PolarHBondContact O-N 3.42Å
194Q95.3Very high90.8Very high99 Ų99111.7 Ų111.746%0.46354%0.541SS..Hα-helixtrans-57.6-44.4174.8-166.870.639.400111.7Q190 L191 I197 L198Q190-Q194 PolarHBondContact O-N 3.11Å; L191-Q194 PolarHBondContact O-N 2.81Å; Q194-I197 PolarHBondContact O-N 2.74Å; Q194-L198 HydrophobicContact CG-CD1 4.31Å; Q194-L198 WeakPolarHBondContact O-CG 3.38Å; Q194-L198 PolarHBondContact O-N 3.19Å
195L96.5Very high89.3Confident115 Ų115110.5 Ų110.560%0.60254%0.542SS*.Hα-helixtrans-67.8-37.3177.9-176.261.9000112.3L191 F192 L193 L198 S199L191-L195 PolarHBondContact O-N 2.86Å; L191-L195 VanDerWaalsContact O-N 3.08Å; F192-L195 PolarHBondContact O-N 3.28Å; L193-L195 VanDerWaalsContact C-N 3.32Å; L193-L195 PolarHBondContact O-N 3.13Å; L195-L198 PolarHBondContact O-N 3.16Å; L195-S199 WeakPolarHBondContact O-CB 3.45Å; L195-S199 PolarHBondContact O-N 3.23Å
196Q94.9Very high87.5Confident101 Ų101110.2 Ų110.247%0.47254%0.544SS..Hα-helixtrans-62.9-43.5175.6-175.4174.7-1100111.6F192 L193 S199 Q200F192-Q196 PolarHBondContact O-N 3.49Å; L193-Q196 PolarHBondContact O-N 2.95Å; Q196-S199 PolarHBondContact O-N 3.43Å; Q196-Q200 PolarHBondContact O-N 3.25Å; Q196-Q200 VanDerWaalsContact O-N 3.09Å
197I95.6Very high85.7Confident71 Ų71113.4 Ų113.436%0.36456%0.557SS.*Hα-helixtrans-62.1-50175.4-66.5162.7000110.6L193 Q194 S199 Q200 Q201L193-I197 HydrophobicContact CG-CD1 4.19Å; L193-I197 WeakPolarHBondContact O-CG1 3.3Å; L193-I197 PolarHBondContact O-N 3.42Å; Q194-I197 PolarHBondContact O-N 2.74Å; I197-S199 VanDerWaalsContact C-N 3.32Å; I197-S199 PolarHBondContact O-N 2.86Å; I197-Q200 PolarHBondContact O-N 3.27Å; I197-Q200 VanDerWaalsContact O-N 3.14Å; I197-Q201 WeakPolarHBondContact O-CG 3.23Å; I197-Q201 PolarHBondContact O-N 2.98Å
198L93.9Very high83.9Confident87 Ų87111.2 Ų111.246%0.45556%0.557SS.*Hα-helixtrans-61-39.2179.1-72.7167.8000112.5Q194 L195 Q200 Q201 K202Q194-L198 HydrophobicContact CG-CD1 4.31Å; Q194-L198 WeakPolarHBondContact O-CG 3.38Å; Q194-L198 PolarHBondContact O-N 3.19Å; L195-L198 PolarHBondContact O-N 3.16Å; L198-Q200 VanDerWaalsContact C-N 3.34Å; L198-Q200 PolarHBondContact O-N 3.06Å; L198-Q201 PolarHBondContact O-N 3.21Å; L198-K202 PolarHBondContact O-N 2.92Å; L198-K202 VanDerWaalsContact O-N 3.11Å
199S91.9Very high82Confident64 Ų64113 Ų11345%0.44857%0.566SS.*Hα-helixtrans-63.4-40.4175.2-165.80000111.7L195 Q196 I197 K202 H203L195-S199 WeakPolarHBondContact O-CB 3.45Å; L195-S199 PolarHBondContact O-N 3.23Å; Q196-S199 PolarHBondContact O-N 3.43Å; I197-S199 VanDerWaalsContact C-N 3.32Å; I197-S199 PolarHBondContact O-N 2.86Å; S199-K202 PolarHBondContact O-N 3.4Å; S199-H203 PolarHBondContact O-CD2 2.84Å; S199-H203 PolarHBondContact O-N 3.47Å
200Q89.4Confident80Confident138 Ų138114.8 Ų114.865%0.64558%0.576SS**Hα-helixtrans-68.9-42179.4-166.4168.489.100111.8Q196 I197 L198 K202 H203 T204Q196-Q200 PolarHBondContact O-N 3.25Å; Q196-Q200 VanDerWaalsContact O-N 3.09Å; I197-Q200 PolarHBondContact O-N 3.27Å; I197-Q200 VanDerWaalsContact O-N 3.14Å; L198-Q200 VanDerWaalsContact C-N 3.34Å; L198-Q200 PolarHBondContact O-N 3.06Å; Q200-K202 VanDerWaalsContact C-N 3.33Å; Q200-K202 PolarHBondContact O-N 3.18Å; Q200-H203 PolarHBondContact O-N 2.95Å; Q200-T204 PolarHBondContact O-N 2.88Å
201Q85.7Confident77.9Confident113 Ų113116.3 Ų116.353%0.52858%0.583SS.*Hα-helixtrans-60.3-37.1174-71.7177.7-7.300113.1I197 L198 H203 T204 H205I197-Q201 WeakPolarHBondContact O-CG 3.23Å; I197-Q201 PolarHBondContact O-N 2.98Å; L198-Q201 PolarHBondContact O-N 3.21Å; Q201-H203 VanDerWaalsContact C-N 3.31Å; Q201-H203 PolarHBondContact O-N 2.8Å; Q201-T204 PolarHBondContact O-OG1 3.46Å; Q201-H205 PolarHBondContact O-N 2.99Å
202K75.9Confident75.3Confident148 Ų148119.5 Ų119.564%0.64359%0.594SS**Hα-helixtrans-61.2-38.7175.6-103.7-160.478.868.70112.6L198 S199 Q200 T206L198-K202 PolarHBondContact O-N 2.92Å; L198-K202 VanDerWaalsContact O-N 3.11Å; S199-K202 PolarHBondContact O-N 3.4Å; Q200-K202 VanDerWaalsContact C-N 3.33Å; Q200-K202 PolarHBondContact O-N 3.18Å; K202-T206 PolarHBondContact O-N 3.32Å; K202-T206 PolarHBondContact O-OG1 3.21Å
203H66.8Low73.1Confident128 Ų128118.8 Ų118.859%0.59360%0.604SS**Hα-helixtrans-72-41.8-178-71.3-60000112.6S199 Q200 Q201 T206 H207S199-H203 PolarHBondContact O-CD2 2.84Å; S199-H203 PolarHBondContact O-N 3.47Å; Q200-H203 PolarHBondContact O-N 2.95Å; Q201-H203 VanDerWaalsContact C-N 3.31Å; Q201-H203 PolarHBondContact O-N 2.8Å; H203-T206 PolarHBondContact O-N 3.4Å; H203-T206 PolarHBondContact O-OG1 3.36Å; H203-H207 PolarHBondContact O-N 3.06Å
204T62.2Low70.1Confident89 Ų89123.8 Ų123.855%0.54662%0.624SS.*Hα-helixtrans-62.9-44.7176.749.50000111.5Q200 Q201 T206 H207 S208Q200-T204 PolarHBondContact O-N 2.88Å; Q201-T204 PolarHBondContact O-OG1 3.46Å; T204-T206 PolarHBondContact O-N 3.49Å; T204-H207 PolarHBondContact O-N 3.34Å; T204-H207 VanDerWaalsContact O-N 3.15Å; T204-S208 PolarHBondContact O-N 3Å; T204-S208 PolarHBondContact O-OG 2.96Å
205H60.8Low67.7Low137 Ų137127.3 Ų127.363%0.63464%0.641SS**Hα-helixtrans-62.3-39.6179.8-164.8-11000112.8Q201 H207 S208Q201-H205 PolarHBondContact O-N 2.99Å; H205-H207 VanDerWaalsContact C-N 3.26Å; H205-H207 PolarHBondContact O-N 3.21Å; H205-S208 PolarHBondContact O-N 3.46Å
206T58.1Low64.9Low88 Ų88130.3 Ų130.354%0.5465%0.652SS.*Hα-helixtrans-65.3-25.8177.244.40000114.1K202 H203 T204K202-T206 PolarHBondContact O-N 3.32Å; K202-T206 PolarHBondContact O-OG1 3.21Å; H203-T206 PolarHBondContact O-N 3.4Å; H203-T206 PolarHBondContact O-OG1 3.36Å; T204-T206 PolarHBondContact O-N 3.49Å
207H58.2Low62Low135 Ų135133.3 Ų133.363%0.62567%0.666SS**Hα-helixtrans-84.8-25.9-176.9-149.5-49000113H203 T204 H205H203-H207 PolarHBondContact O-N 3.06Å; T204-H207 PolarHBondContact O-N 3.34Å; T204-H207 VanDerWaalsContact O-N 3.15Å; H205-H207 VanDerWaalsContact C-N 3.26Å; H205-H207 PolarHBondContact O-N 3.21Å
208S56.6Low59.4Low93 Ų93136 Ų13665%0.6568%0.68SS**Hα-helixtrans-76.9-24.2-177.4-55.20000114.5T204 H205 M210T204-S208 PolarHBondContact O-N 3Å; T204-S208 PolarHBondContact O-OG 2.96Å; H205-S208 PolarHBondContact O-N 3.46Å; S208-M210 VanDerWaalsContact C-N 3.32Å; S208-M210 PolarHBondContact O-N 2.94Å
209Q56.5Low56.6Low172 Ų172140.1 Ų140.180%0.80470%0.696SS**THydrogen-bonded Turntrans-78.9-14.3-176.2-162.6172.743.500113.6
210M53.8Low53.8Low164 Ų164141.9 Ų141.981%0.80871%0.708SS**THydrogen-bonded Turntrans-91.99.5-174.9-89.4-72.8-67.300114.7S208S208-M210 VanDerWaalsContact C-N 3.32Å; S208-M210 PolarHBondContact O-N 2.94Å
211Q52.9Low51Low152 Ų152143.1 Ų143.171%0.7172%0.716SS**  trans-138.486.1-179.4-68.3-171.42.200113.7
212Q40.8Very low48.6Very low190 Ų190146.2 Ų146.289%0.88873%0.73SS**  trans-136143.7138.3-78.3-155.66.300110.1
213P50.7Low46.7Very low123 Ų123142.9 Ų142.980%0.79973%0.731SS**  trans-94142.4-171.635.7-33.8000113
214Q36.2Very low45.2Very low192 Ų192145.9 Ų145.990%0.89775%0.745SS**  trans-94112.7170.1-169.1176.911.700110.6
215Q44.6Very low43.9Very low173 Ų173145.9 Ų145.981%0.80875%0.754SS**  trans-138.4157.5163.7-77.9-165.4-0.400109.7
216Q36.3Very low42.6Very low179 Ų179147.5 Ų147.584%0.83676%0.762SS**  trans69.5130.9-171.4-43.8177.725.900111
217H35.8Very low41.4Very low164 Ų164151.3 Ų151.376%0.75977%0.773SS**  cis-140.316228.5-153.5-93.1000112.4
218I40.3Very low40.1Very low128 Ų128156.4 Ų156.466%0.65679%0.787SS**  trans-126.6163.2173.9-55.9180000108.8
219H34.5Very low38.7Very low173 Ų173160.4 Ų160.480%0.80180%0.795SS**  trans77.7141.3-179.2-34.4103.8000112.9
220S32.6Very low38Very low101 Ų101157.3 Ų157.371%0.70679%0.79SS**  cis-160.8154.226.457.70000114.4
221M32.2Very low36.5Very low164 Ų164156.3 Ų156.381%0.80879%0.793SS**  trans46.6130.2159.8-48.8-48.8170.300119.9
222Q35.1Very low35.2Very low177 Ų177157.7 Ų157.783%0.82780%0.798SS**  cis97.312428.4-167.2172.49.100115.8
223A34.8Very low34.4Very low79 Ų79152.2 Ų152.265%0.65378%0.78SS**  trans67.1112172.300000117.1
224H36.4Very low33.2Very low190 Ų190156.3 Ų156.388%0.8878%0.781SS**  -154.2-179.555.3-94.1-88.3000113.6
225A34.5Very low32.6Very low89 Ų89155.4 Ų155.474%0.73678%0.777SS**  trans-83.5173-179.500000112.8
226Q33.3Very low32.3Very low172 Ų172152.2 Ų152.280%0.80477%0.771SS**  cis-163.3161.322.5-154.8176.361.100113
227Q34.1Very low31.7Very low167 Ų167152.3 Ų152.378%0.7877%0.772SS**  trans77.9149.7164.2-62.9-157.74.500122.3
228R30Very low31.3Very low243 Ų243152.3 Ų152.392%0.91778%0.776SS**  trans81133.5168.6-68-89.2-103.6171.2-4.5118.6
229Q27.9Very low31.3Very low176 Ų176151.7 Ų151.782%0.82278%0.781SS**  trans-102.9178.9-170.7-66.3-83.313.600110.8
230P40.6Very low30.9Very low108 Ų108147.5 Ų147.570%0.70178%0.776SS**  cis-134.3165.3-40.635.9-20.5000113.7
231T22.2Very low30.5Very low142 Ų142148 Ų14887%0.87178%0.779SS**  trans-178.8135.9166.9-81.60000106.9
232F25.9Very low30.3Very low182 Ų182145.6 Ų145.680%0.79877%0.774SS**  cis-146.3-151.6-5.8-153.7-171.5000106.7
233S24Very low29.8Very low75 Ų75145 Ų14552%0.52477%0.771SS.*  cis-165.1133.5-4.947.90000109.9
234Y24.9Very low29.4Very low209 Ų209150.4 Ų150.482%0.8278%0.78SS**  trans60.6155.2172.1-62.2-73.8000116.1
235Q25Very low29Very low172 Ų172144.3 Ų144.380%0.80477%0.769SS**  cis-163168.421.2-170.9165.8-21.600108.5
236P38.2Very low28.6Very low107 Ų107148 Ų14870%0.69578%0.776SS**  cis-117.4-159.6-38.333.9-14.6000112.4
237Q24.1Very low28.3Very low181 Ų181143.9 Ų143.985%0.84677%0.766SS**  trans111.8148.9156.8-59.4-162.4-53.300119
238L25.9Very low28Very low163 Ų163142.8 Ų142.885%0.85376%0.761SS**  trans-92178.8166.8-56.399.6000108.9
239P40.2Very low28Very low115 Ų115139.1 Ų139.175%0.74776%0.755SS**  cis-137.9168.72.740.3-21.6000117.9
240A26.3Very low28.2Very low85 Ų85136.4 Ų136.470%0.70275%0.75SS**  trans58.9124.7139.900000124
241S25.4Very low27.8Very low111 Ų111137.6 Ų137.678%0.77676%0.757SS**  trans77.9154.5136.185.20000118.5
242T26.9Very low28.2Very low115 Ų115136 Ų13671%0.70675%0.752SS**  cis-147.91433.939.90000112.3
243Q26Very low28.1Very low164 Ų164132.9 Ų132.977%0.76675%0.752SS**  trans55.8166.6151.8-63.6-166.735.400118.1
244K25.7Very low28.2Very low192 Ų192134 Ų13484%0.83577%0.765SS**  cis-155.6160.9-15.6-121.2-178.2-178.9-1760104.3
245G27.8Very low28.5Very low63 Ų63129.8 Ų129.865%0.64977%0.766SS**  cis165.1160.6100000109.1
246N25.6Very low28.7Very low166 Ų166127.3 Ų127.389%0.88877%0.768SS**  trans60.3149.9-172.8-73.423.8000115.1
247S28.2Very low28.3Very low85 Ų85125.8 Ų125.859%0.59477%0.772SS**  cis-149.2171.99.7-131.20000108.1
248E27.4Very low29.1Very low144 Ų144123.9 Ų123.967%0.67378%0.775SS**  cis-165.9-168.16.3-145.516289.600111.8
249Q29.6Very low29.2Very low167 Ų167120.5 Ų120.578%0.7877%0.771SS**  trans59.8102152.5-73.6173.240.800120
250V32.4Very low28.6Very low118 Ų118120.2 Ų120.272%0.71577%0.771SS**  trans-100.2171.6157.8-146.60000108.8
251P32.9Very low28.6Very low133 Ų133123 Ų12386%0.86477%0.774SS**  -140.3166.1110.236.2-23.5000115
252S29.5Very low28.6Very low108 Ų108122.8 Ų122.876%0.75577%0.773SS**  trans-142161.8-169.2-53.60000113.3
253C24.4Very low28.5Very low118 Ų118124.1 Ų124.180%0.79778%0.776SS**  trans-154.5145.5153.851.90000108.6
254A26.9Very low28.5Very low97 Ų97120.3 Ų120.380%0.80277%0.768SS**  cis75.8140.830.900000113.5
255S30.7Very low28.6Very low121 Ų121118.9 Ų118.985%0.84677%0.769SS**  cis-146.6-158.514.3-165.40000112.9
256S28.3Very low28.5Very low120 Ų120120.8 Ų120.884%0.83977%0.772SS**  trans-135.6151.9-166.1-54.60000116.8
257G30.5Very low28.6Very low75 Ų75117.5 Ų117.577%0.77376%0.762SS**  trans83.7173.1158.300000117.5
258P40.1Very low29.1Very low141 Ų141118.8 Ų118.892%0.91677%0.771SS**  cis-119.2-158.62.441.8-27.6000114.5
259A28.2Very low29.4Very low93 Ų93117.4 Ų117.477%0.76978%0.775SS**  trans-108.4173-166.800000115.1
260S28.5Very low29.5Very low108 Ų108115.7 Ų115.776%0.75578%0.776SS**  176.8172.384.947.70000115.1
261N25.3Very low29.4Very low143 Ų143119.1 Ų119.177%0.76578%0.781SS**  trans77.2107.8164.5-75.86.6000122.4
262S25.4Very low29.1Very low107 Ų107117.9 Ų117.975%0.74877%0.767SS**  55.7142.4117.5-48.70000121
263N25.7Very low28.9Very low144 Ų144116.8 Ų116.877%0.7776%0.756SS**  cis-153.1163.717.7-156.511.5000113.7
264S26.6Very low29.2Very low84 Ų84119.2 Ų119.259%0.58775%0.753SS**  trans23.3118.8159-62.10000121.1
265N26.8Very low29.4Very low162 Ų162120.2 Ų120.287%0.86675%0.751SS**  -173.4164.697.5-100.5-36000115.3
266S26.2Very low29.2Very low102 Ų102121.2 Ų121.271%0.71375%0.747SS**  trans69.597.9159.4-138.40000120.4
267S27Very low29.7Very low97 Ų97120.4 Ų120.468%0.67873%0.73SS**  57.8116.4123.867.70000121.3
268S38.5Very low29.7Very low112 Ų112123 Ų12378%0.78373%0.727SS**  trans-37151137.5-42.60000112.6
269P34Very low29.3Very low115 Ų115124.7 Ų124.775%0.74773%0.728SS**  -147.814297.835.4-18.8000117.5
270V32.4Very low29.6Very low132 Ų132125.8 Ų125.880%0.873%0.725SS**  35.8131.1125.8-169.30000120.2
271K29Very low29.8Very low190 Ų190124.9 Ų124.983%0.82672%0.718SS**SBendtrans-133.4128.7148.4-159168.1-174.2172.10106.9
272N27.1Very low30.5Very low106 Ų106124.4 Ų124.457%0.56772%0.723SS**  cis-151.7138.612.8-14123.2000111.1
273T26.3Very low31.2Very low86 Ų86124.3 Ų124.353%0.52872%0.718SS.*  trans-158.3132144.8-57.70000108.9S312T273-S312 WeakPolarHBondContact CG2-OG 3.39Å; T273-S312 PolarHBondContact OG1-OG 3.28Å
274F29.7Very low31.9Very low168 Ų168127.1 Ų127.174%0.73772%0.723SS**PPolyproline II helixtrans-78.3139.8165.7-58.3-96.8000111.2
275P30.3Very low33.2Very low118 Ų118125.6 Ų125.677%0.76671%0.71SS**PPolyproline II helixtrans-95.5116.3137.831.3-25.6000108.7
276N28.1Very low34.6Very low142 Ų142120 Ų12076%0.75969%0.69SS**PPolyproline II helixtrans-90.9131.5152.2-1734.9000106.3
277Q37Very low36.4Very low104 Ų104119.4 Ų119.449%0.48668%0.684SS.*  trans-131.1112.2178.4-81.2-72.832.400110
278N32.3Very low38.8Very low129 Ų129115.4 Ų115.469%0.6966%0.655SS**  trans-67.2139.5154.6-72.84.3000107.6V280N278-V280 PolarHBondContact O-N 3.27Å
279N29.9Very low40.5Very low176 Ų176112.7 Ų112.794%0.94164%0.635SS**  trans-68.7104.5169.2-93.7-66.5000109.5
280V35Very low42.2Very low116 Ų116112 Ų11270%0.70364%0.639SS**  trans-106.8128.8164.3-165.30000107N278N278-V280 PolarHBondContact O-N 3.27Å
281S33.2Very low44.6Very low89 Ų89108.6 Ų108.662%0.62262%0.616SS**  trans-56.4151177.851.50000111.7V283S281-V283 VanDerWaalsContact C-N 3.3Å; S281-V283 PolarHBondContact O-N 3.45Å
282P38.9Very low47.4Very low134 Ų13499.5 Ų99.587%0.8758%0.577SS**  trans-67.786.2178.929.2-35.7000111.3K284P282-K284 PolarHBondContact O-N 2.91Å
283V40.7Very low50.4Low105 Ų10597.9 Ų97.964%0.63657%0.568SS**  trans-59.8129.7162.61790000106.9S281 V285S281-V283 VanDerWaalsContact C-N 3.3Å; S281-V283 PolarHBondContact O-N 3.45Å; V283-V285 VanDerWaalsContact C-N 3.26Å; V283-V285 WeakPolarHBondContact O-CG2 3.47Å; V283-V285 PolarHBondContact O-N 3.08Å
284K41.8Very low53.5Low203 Ų20399.4 Ų99.488%0.88357%0.573SS**  trans-66.588.5174.6-176178.4178.3-179.90108.6P282 G286P282-K284 PolarHBondContact O-N 2.91Å; K284-G286 PolarHBondContact O-N 3.29Å
285V52Low56.5Low52 Ų5292.3 Ų92.332%0.31554%0.542SS..PPolyproline II helixtrans-60.5130.5-176.4-162.40000108.8V283 I306 R307V283-V285 VanDerWaalsContact C-N 3.26Å; V283-V285 WeakPolarHBondContact O-CG2 3.47Å; V283-V285 PolarHBondContact O-N 3.08Å; V285-I306 HydrophobicContact CG1-CD1 3.58Å; V285-I306 HydrophobicContact CG1-CG1 4.01Å; V285-I306 HydrophobicContact CG2-CG1 4.28Å; V285-R307 HydrophobicContact CG2-CG 4.38Å
286G56.6Low59.6Low43 Ų4393.9 Ų93.944%0.44354%0.537SS..PPolyproline II helixtrans-60.5164.8179.900000113K284 R307K284-G286 PolarHBondContact O-N 3.29Å; G286-R307 PolarHBondContact O-NH2 3.31Å; G286-R307 VanDerWaalsContact O-NH2 3.1Å
287P64.3Low62.7Low91 Ų9189.7 Ų89.759%0.59152%0.517SS*.PPolyproline II helixtrans-49.6141.9172.3-24.634.1000111
288L78.3Confident65.5Low13 Ų1388.7 Ų88.77%0.06852%0.521CS..PPolyproline II helixtrans-67.4150.5171.3-73173.5000110.5L292 H303 L322 F325 R326L288-L292 HydrophobicContact CD1-CD1 4.31Å; L288-L292 HydrophobicContact CD1-CD2 4.19Å; L288-L292 HydrophobicContact CD2-CD2 4.37Å; L288-H303 HydrophobicContact CD2-CB 4.17Å; L288-H303 WeakPolarHBondContact CD2-CD2 3.42Å; L288-L322 HydrophobicContact CD1-CB 3.77Å; L288-L322 HydrophobicContact CD1-CD2 4.21Å; L288-L322 HydrophobicContact CD1-CG 4.47Å; L288-L322 WeakPolarHBondContact CD1-O 3.44Å; L288-L322 HydrophobicContact CD2-CD2 4.46Å; L288-F325 HydrophobicContact CD1-CB 3.69Å; L288-F325 HydrophobicContact CG-CB 4.24Å; L288-R326 HydrophobicContact CD1-CG 4.38Å
289P72.7Confident68.4Low55 Ų5585.9 Ų85.936%0.35750%0.504SS..PPolyproline II helixtrans-59.1150.7169.326.2-34.2000111N291 L295 R326P289-N291 PolarHBondContact O-N 3.33Å; P289-L295 HydrophobicContact CG-CD1 3.84Å; P289-L295 HydrophobicContact CG-CD2 3.93Å; P289-L295 HydrophobicContact CG-CG 4.3Å; P289-R326 PolarHBondContact O-NH1 3.46Å
290A69.8Low71.6Confident101 Ų10177.5 Ų77.584%0.83546%0.459SS*.SBendtrans-67.8-10.7-17800000113.9R326A290-R326 PolarHBondContact O-NH1 2.88Å; A290-R326 PolarHBondContact O-NH2 3.16Å
291N82.6Confident74.5Confident59 Ų5976.6 Ų76.632%0.31644%0.443SS..  trans-119.2125162.6-156.5-21000112.5P289 D293 D294 R326P289-N291 PolarHBondContact O-N 3.33Å; N291-D293 WeakPolarHBondContact OD1-CA 3.49Å; N291-D293 WeakPolarHBondContact OD1-CB 3.47Å; N291-D293 PolarHBondContact OD1-N 2.87Å; N291-D294 HydrophobicContact CB-CB 4.23Å; N291-D294 VanDerWaalsContact CB-OD2 3.32Å; N291-D294 WeakPolarHBondContact CB-OD2 3.36Å; N291-D294 PolarHBondContact ND2-OD1 2.9Å; N291-D294 PolarHBondContact ND2-OD2 2.95Å; N291-D294 PolarHBondContact OD1-N 3.02Å; N291-D294 VanDerWaalsContact OD1-N 3.16Å; N291-R326 VanDerWaalsContact N-NH1 3.17Å
292L89.4Confident77.4Confident0 Ų077.5 Ų77.50%044%0.437CS..SBendtrans-102.2-28.1173.8-84178.3000110.9L288 D294 L295 L300 I319 L322 R326L288-L292 HydrophobicContact CD1-CD1 4.31Å; L288-L292 HydrophobicContact CD1-CD2 4.19Å; L288-L292 HydrophobicContact CD2-CD2 4.37Å; L292-D294 PolarHBondContact O-N 3.04Å; L292-L295 HydrophobicContact CD2-CD1 3.7Å; L292-L295 PolarHBondContact O-N 3.26Å; L292-L300 HydrophobicContact CB-CD2 4.42Å; L292-L300 HydrophobicContact CD2-CD2 3.79Å; L292-I319 HydrophobicContact CB-CB 4.47Å; L292-I319 HydrophobicContact CB-CG1 4.17Å; L292-I319 HydrophobicContact CB-CG2 3.85Å; L292-I319 HydrophobicContact CD1-CG2 4.06Å; L292-L322 HydrophobicContact CD1-CB 3.58Å; L292-L322 HydrophobicContact CD2-CB 4Å; L292-L322 HydrophobicContact CD2-CD1 3.87Å; L292-L322 HydrophobicContact CG-CB 4.48Å; L292-R326 VanDerWaalsContact CD1-CD 3.47Å; L292-R326 HydrophobicContact CD1-CG 3.95Å
293D90.1Very high80.1Confident71 Ų7172.7 Ų72.738%0.3840%0.404SS..SBendtrans-72.5-19.7-179.6-54-97.2000111.2N291 K315 I319 R326N291-D293 WeakPolarHBondContact OD1-CA 3.49Å; N291-D293 WeakPolarHBondContact OD1-CB 3.47Å; N291-D293 PolarHBondContact OD1-N 2.87Å; D293-K315 WeakPolarHBondContact O-CE 3.49Å; D293-K315 PolarHBondContact O-NZ 3.4Å; D293-I319 HydrophobicContact CB-CD1 4.35Å; D293-R326 IonicContact OD2-NH2 3.78Å
294D91.6Very high82.7Confident118 Ų11867.7 Ų67.763%0.63137%0.373SS*.SBendtrans-76.8-40.2166.7-66.9-14.6000112.5N291 L292 K315N291-D294 HydrophobicContact CB-CB 4.23Å; N291-D294 VanDerWaalsContact CB-OD2 3.32Å; N291-D294 WeakPolarHBondContact CB-OD2 3.36Å; N291-D294 PolarHBondContact ND2-OD1 2.9Å; N291-D294 PolarHBondContact ND2-OD2 2.95Å; N291-D294 PolarHBondContact OD1-N 3.02Å; N291-D294 VanDerWaalsContact OD1-N 3.16Å; L292-D294 PolarHBondContact O-N 3.04Å; D294-K315 PolarHBondContact O-NZ 2.97Å
295L92.3Very high85.2Confident19 Ų1965.3 Ų65.310%0.09936%0.359CS..SBendtrans-57.1145.6-170.3-56.4-170.6000113.1P289 L292 E299 L300 K315P289-L295 HydrophobicContact CG-CD1 3.84Å; P289-L295 HydrophobicContact CG-CD2 3.93Å; P289-L295 HydrophobicContact CG-CG 4.3Å; L292-L295 HydrophobicContact CD2-CD1 3.7Å; L292-L295 PolarHBondContact O-N 3.26Å; L295-E299 HydrophobicContact CB-CG 4.3Å; L295-E299 HydrophobicContact CD1-CG 4.25Å; L295-L300 HydrophobicContact CB-CD2 3.99Å; L295-L300 HydrophobicContact CB-CG 3.9Å; L295-L300 HydrophobicContact CD1-CD2 4.14Å; L295-K315 WeakPolarHBondContact O-CE 3.36Å; L295-K315 PolarHBondContact O-NZ 3.12Å
296K95.1Very high87.2Confident152 Ų15267 Ų6766%0.66137%0.365SS*.  trans-73.6154.1-179.7-71.3175.1-178.4169.20110.8S298 E299 L300K296-S298 PolarHBondContact O-N 3.38Å; K296-S298 VanDerWaalsContact O-N 3.17Å; K296-E299 HydrophobicContact CB-CB 4.49Å; K296-E299 PolarHBondContact N-OE2 3.37Å; K296-E299 WeakPolarHBondContact O-CA 3.37Å; K296-E299 WeakPolarHBondContact O-CB 3.36Å; K296-E299 PolarHBondContact O-N 2.86Å; K296-L300 PolarHBondContact O-N 3.12Å
297V93.9Very high88.9Confident53 Ų5367 Ų6732%0.32135%0.351SS..Hα-helixtrans-58.6-31.9179.7172.90000112.2R301 K315 L318V297-R301 WeakPolarHBondContact O-CB 3.46Å; V297-R301 WeakPolarHBondContact O-CG 3.48Å; V297-R301 PolarHBondContact O-N 2.81Å; V297-R301 VanDerWaalsContact O-N 3.08Å; V297-K315 HydrophobicContact CG2-CB 3.83Å; V297-K315 HydrophobicContact CG2-CD 4.17Å; V297-K315 HydrophobicContact CG2-CG 4.19Å; V297-L318 HydrophobicContact CG1-CD1 3.87Å
298S94.8Very high90.3Very high84 Ų8465 Ų6559%0.58735%0.348SS*.Hα-helixtrans-59.1-46.6170.742.40000112.6K296 R301 Q302K296-S298 PolarHBondContact O-N 3.38Å; K296-S298 VanDerWaalsContact O-N 3.17Å; S298-R301 WeakPolarHBondContact O-CB 3.44Å; S298-R301 PolarHBondContact O-N 3.47Å; S298-Q302 PolarHBondContact O-N 2.88Å
299E94.4Very high91Very high69 Ų6966.8 Ų66.832%0.32236%0.357SS..Hα-helixtrans-76.5-38.7-175-178.5176-155.200112.1L295 K296 R301 Q302 H303L295-E299 HydrophobicContact CB-CG 4.3Å; L295-E299 HydrophobicContact CD1-CG 4.25Å; K296-E299 HydrophobicContact CB-CB 4.49Å; K296-E299 PolarHBondContact N-OE2 3.37Å; K296-E299 WeakPolarHBondContact O-CA 3.37Å; K296-E299 WeakPolarHBondContact O-CB 3.36Å; K296-E299 PolarHBondContact O-N 2.86Å; E299-R301 VanDerWaalsContact C-N 3.31Å; E299-R301 PolarHBondContact O-N 3.11Å; E299-Q302 WeakPolarHBondContact O-CB 3.46Å; E299-Q302 PolarHBondContact O-N 2.88Å; E299-Q302 VanDerWaalsContact O-N 3.17Å; E299-H303 WeakPolarHBondContact O-CB 3.43Å; E299-H303 PolarHBondContact O-N 3.14Å; E299-H303 PolarHBondContact O-ND1 3.45Å
300L95.6Very high92Very high0 Ų068.3 Ų68.30%037%0.366CS..Hα-helixtrans-60.1-42.1168.2-68.5165.2000110.9L292 L295 K296 Q302 H303 L304 K315 L318 I319 L322L292-L300 HydrophobicContact CB-CD2 4.42Å; L292-L300 HydrophobicContact CD2-CD2 3.79Å; L295-L300 HydrophobicContact CB-CD2 3.99Å; L295-L300 HydrophobicContact CB-CG 3.9Å; L295-L300 HydrophobicContact CD1-CD2 4.14Å; K296-L300 PolarHBondContact O-N 3.12Å; L300-Q302 VanDerWaalsContact C-N 3.34Å; L300-Q302 PolarHBondContact O-N 2.87Å; L300-H303 PolarHBondContact O-N 3.27Å; L300-L304 WeakPolarHBondContact O-CB 3.29Å; L300-L304 WeakPolarHBondContact O-CD1 3.49Å; L300-L304 VanDerWaalsContact O-CG 3.31Å; L300-L304 WeakPolarHBondContact O-CG 3.24Å; L300-L304 PolarHBondContact O-N 2.87Å; L300-K315 HydrophobicContact CD1-CD 4.19Å; L300-K315 HydrophobicContact CD1-CG 3.69Å; L300-L318 HydrophobicContact CB-CB 3.93Å; L300-L318 HydrophobicContact CB-CD1 4.2Å; L300-L318 HydrophobicContact CD1-CB 4.5Å; L300-I319 HydrophobicContact CD1-CD1 4.26Å; L300-I319 HydrophobicContact CD1-CG1 3.78Å; L300-I319 HydrophobicContact CD2-CG1 3.8Å; L300-I319 HydrophobicContact CG-CG1 4.47Å; L300-L322 HydrophobicContact CB-CD1 4.38Å; L300-L322 HydrophobicContact CD2-CD1 3.65Å
301R95.8Very high93.2Very high97 Ų9765.7 Ų65.737%0.36634%0.34SS..Hα-helixtrans-65.9-34173.3-75179.6174.2162.78.3112.9V297 S298 E299 R305 V311 L318V297-R301 WeakPolarHBondContact O-CB 3.46Å; V297-R301 WeakPolarHBondContact O-CG 3.48Å; V297-R301 PolarHBondContact O-N 2.81Å; V297-R301 VanDerWaalsContact O-N 3.08Å; S298-R301 WeakPolarHBondContact O-CB 3.44Å; S298-R301 PolarHBondContact O-N 3.47Å; E299-R301 VanDerWaalsContact C-N 3.31Å; E299-R301 PolarHBondContact O-N 3.11Å; R301-R305 VanDerWaalsContact O-CB 3.26Å; R301-R305 WeakPolarHBondContact O-CB 3.46Å; R301-R305 PolarHBondContact O-N 3.42Å; R301-V311 HydrophobicContact CB-CB 4.28Å; R301-V311 WeakPolarHBondContact CD-O 3.41Å; R301-V311 HydrophobicContact CG-CB 4.09Å; R301-V311 WeakPolarHBondContact CG-O 3.46Å; R301-V311 PolarHBondContact NE-O 2.93Å; R301-V311 WeakPolarHBondContact O-CG1 3.42Å; R301-L318 HydrophobicContact CG-CD1 3.85Å; R301-L318 HydrophobicContact CG-CD2 4.11Å
302Q95.6Very high93.7Very high108 Ų10864.7 Ų64.751%0.50534%0.338SS..Hα-helixtrans-66.1-50173.4179174.8-10.700110.9S298 E299 L300 L304 R305 I306S298-Q302 PolarHBondContact O-N 2.88Å; E299-Q302 WeakPolarHBondContact O-CB 3.46Å; E299-Q302 PolarHBondContact O-N 2.88Å; E299-Q302 VanDerWaalsContact O-N 3.17Å; L300-Q302 VanDerWaalsContact C-N 3.34Å; L300-Q302 PolarHBondContact O-N 2.87Å; Q302-L304 PolarHBondContact O-N 2.92Å; Q302-R305 PolarHBondContact O-N 3.27Å; Q302-R305 VanDerWaalsContact O-N 3.12Å; Q302-I306 WeakPolarHBondContact O-CG1 3.43Å; Q302-I306 PolarHBondContact O-N 3Å
303H93.9Very high93.8Very high34 Ų3466.9 Ų66.916%0.15736%0.36CS..Hα-helixtrans-60.5-30.8177.4-77.295.9000113.5L288 E299 L300 I306 R307 L322L288-H303 HydrophobicContact CD2-CB 4.17Å; L288-H303 WeakPolarHBondContact CD2-CD2 3.42Å; E299-H303 WeakPolarHBondContact O-CB 3.43Å; E299-H303 PolarHBondContact O-N 3.14Å; E299-H303 PolarHBondContact O-ND1 3.45Å; L300-H303 PolarHBondContact O-N 3.27Å; H303-I306 WeakPolarHBondContact O-CG1 3.48Å; H303-R307 WeakPolarHBondContact O-CD 3.34Å; H303-R307 WeakPolarHBondContact O-CG 3.48Å; H303-R307 PolarHBondContact O-NH1 3.46Å; H303-L322 HydrophobicContact CB-CD1 3.66Å; H303-L322 HydrophobicContact CB-CD2 3.9Å; H303-L322 HydrophobicContact CB-CG 4.46Å
304L95.2Very high94.1Very high0 Ų068.1 Ų68.10%037%0.37CS..Hα-helixtrans-76.6-44.2171.2-73.1164.6000112.4L300 Q302 I306 R307 G308 M309 V311 L318 R321 L322L300-L304 WeakPolarHBondContact O-CB 3.29Å; L300-L304 WeakPolarHBondContact O-CD1 3.49Å; L300-L304 VanDerWaalsContact O-CG 3.31Å; L300-L304 WeakPolarHBondContact O-CG 3.24Å; L300-L304 PolarHBondContact O-N 2.87Å; Q302-L304 PolarHBondContact O-N 2.92Å; L304-I306 PolarHBondContact O-N 3.46Å; L304-R307 CarbonylContact O-C 3.39Å; L304-R307 WeakPolarHBondContact O-CA 3.4Å; L304-R307 PolarHBondContact O-N 2.99Å; L304-G308 PolarHBondContact O-N 2.99Å; L304-G308 VanDerWaalsContact O-N 3.09Å; L304-M309 HydrophobicContact CB-CB 4.15Å; L304-M309 HydrophobicContact CD2-CB 3.51Å; L304-M309 HydrophobicContact CD2-CG 4.17Å; L304-M309 HydrophobicContact CD2-SD 3.68Å; L304-M309 HydrophobicContact CG-CB 4.45Å; L304-M309 PolarHBondContact O-N 3.47Å; L304-V311 HydrophobicContact CB-CG1 4Å; L304-L318 HydrophobicContact CD1-CB 3.67Å; L304-L318 HydrophobicContact CD1-CD2 3.36Å; L304-L318 HydrophobicContact CD1-CG 4.1Å; L304-R321 HydrophobicContact CD2-CB 3.55Å; L304-L322 HydrophobicContact CD2-CD2 3.69Å; L304-L322 HydrophobicContact CD2-CG 3.73Å; L304-L322 HydrophobicContact CG-CD1 4.11Å; L304-L322 HydrophobicContact CG-CD2 3.84Å; L304-L322 HydrophobicContact CG-CG 3.78Å
305R95.9Very high94.3Very high152 Ų15266 Ų6657%0.57436%0.356SS*.Hα-helixtrans-57.1-46.6178.3-172.4-171.6-62.1142.6-0.7111.6R301 Q302 R307 G308 V311R301-R305 VanDerWaalsContact O-CB 3.26Å; R301-R305 WeakPolarHBondContact O-CB 3.46Å; R301-R305 PolarHBondContact O-N 3.42Å; Q302-R305 PolarHBondContact O-N 3.27Å; Q302-R305 VanDerWaalsContact O-N 3.12Å; R305-R307 PolarHBondContact O-N 2.91Å; R305-G308 PolarHBondContact O-N 3.5Å; R305-V311 HydrophobicContact CB-CG1 4.1Å
306I93.6Very high94.4Very high87 Ų8768.6 Ų68.645%0.44637%0.367SS..THydrogen-bonded Turntrans-71.2-15.2178.268.3-171.3000113.6V285 Q302 H303 L304V285-I306 HydrophobicContact CG1-CD1 3.58Å; V285-I306 HydrophobicContact CG1-CG1 4.01Å; V285-I306 HydrophobicContact CG2-CG1 4.28Å; Q302-I306 WeakPolarHBondContact O-CG1 3.43Å; Q302-I306 PolarHBondContact O-N 3Å; H303-I306 WeakPolarHBondContact O-CG1 3.48Å; L304-I306 PolarHBondContact O-N 3.46Å
307R92.4Very high94.4Very high43 Ų4362.3 Ų62.316%0.16234%0.344CS..THydrogen-bonded Turntrans-96.96.8170.3-70.8174.9177.769.95.4112.8V285 G286 H303 L304 R305 M309V285-R307 HydrophobicContact CG2-CG 4.38Å; G286-R307 PolarHBondContact O-NH2 3.31Å; G286-R307 VanDerWaalsContact O-NH2 3.1Å; H303-R307 WeakPolarHBondContact O-CD 3.34Å; H303-R307 WeakPolarHBondContact O-CG 3.48Å; H303-R307 PolarHBondContact O-NH1 3.46Å; L304-R307 CarbonylContact O-C 3.39Å; L304-R307 WeakPolarHBondContact O-CA 3.4Å; L304-R307 PolarHBondContact O-N 2.99Å; R305-R307 PolarHBondContact O-N 2.91Å; R307-M309 HydrophobicContact CB-CG 3.91Å; R307-M309 HydrophobicContact CB-SD 4.23Å; R307-M309 WeakPolarHBondContact O-CG 3.49Å; R307-M309 PolarHBondContact O-N 3.18Å
308G92.6Very high94.5Very high51 Ų5159.8 Ų59.853%0.52633%0.328SS..THydrogen-bonded Turntrans69.29.5-177.900000115.2L304 R305L304-G308 PolarHBondContact O-N 2.99Å; L304-G308 VanDerWaalsContact O-N 3.09Å; R305-G308 PolarHBondContact O-N 3.5Å
309M94.2Very high94.5Very high49 Ų4956 Ų5624%0.24130%0.301CS..  trans-89.2157.3-169.9-60.1-170.985.300113.3L304 R307 V311 R321 F325L304-M309 HydrophobicContact CB-CB 4.15Å; L304-M309 HydrophobicContact CD2-CB 3.51Å; L304-M309 HydrophobicContact CD2-CG 4.17Å; L304-M309 HydrophobicContact CD2-SD 3.68Å; L304-M309 HydrophobicContact CG-CB 4.45Å; L304-M309 PolarHBondContact O-N 3.47Å; R307-M309 HydrophobicContact CB-CG 3.91Å; R307-M309 HydrophobicContact CB-SD 4.23Å; R307-M309 WeakPolarHBondContact O-CG 3.49Å; R307-M309 PolarHBondContact O-N 3.18Å; M309-V311 PolarHBondContact O-N 3.22Å; M309-R321 HydrophobicContact CE-CB 3.93Å; M309-R321 VanDerWaalsContact CE-O 3.29Å; M309-R321 WeakPolarHBondContact CE-O 3.29Å; M309-R321 VanDerWaalsContact SD-O 3.38Å; M309-F325 HydrophobicContact CE-CE2 4.01Å; M309-F325 HydrophobicContact SD-CD2 4.31Å; M309-F325 HydrophobicContact SD-CE2 3.44Å; M309-F325 WeakPolarHBondContact SD-CE2 3.42Å; M309-F325 HydrophobicContact SD-CZ 3.97Å
310P93.3Very high94.5Very high87 Ų8757 Ų5757%0.56531%0.306SS*.  trans-57.8123.5176.8-25.535.1000113R321P310-R321 PolarHBondContact O-NH1 2.9Å
311V94.9Very high94.4Very high46 Ų4660.2 Ų60.228%0.27932%0.318SS..  trans-91.76.4-177.8-60.90000114.4R301 L304 R305 M309 L318R301-V311 HydrophobicContact CB-CB 4.28Å; R301-V311 WeakPolarHBondContact CD-O 3.41Å; R301-V311 HydrophobicContact CG-CB 4.09Å; R301-V311 WeakPolarHBondContact CG-O 3.46Å; R301-V311 PolarHBondContact NE-O 2.93Å; R301-V311 WeakPolarHBondContact O-CG1 3.42Å; L304-V311 HydrophobicContact CB-CG1 4Å; R305-V311 HydrophobicContact CB-CG1 4.1Å; M309-V311 PolarHBondContact O-N 3.22Å; V311-L318 WeakPolarHBondContact O-CD2 3.47Å
312S92.4Very high94.2Very high39 Ų3955.6 Ų55.627%0.27330%0.301SS..  trans-91.1154.4-177.5-83.90000114T273 R321T273-S312 WeakPolarHBondContact CG2-OG 3.39Å; T273-S312 PolarHBondContact OG1-OG 3.28Å; S312-R321 VanDerWaalsContact O-CZ 3.31Å; S312-R321 PolarHBondContact O-NH1 2.99Å; S312-R321 PolarHBondContact O-NH2 3.12Å
313G93.2Very high93.9Very high45 Ų4556 Ų5646%0.46430%0.298SS..SBendtrans113-173.1175.600000114.4
314T95.4Very high93.4Very high97 Ų9758.8 Ų58.860%0.59532%0.319SS*.  trans-71.9164.717655.50000111.6Q316 A317 L318T314-Q316 VanDerWaalsContact C-N 3.28Å; T314-Q316 PolarHBondContact O-N 2.87Å; T314-A317 PolarHBondContact O-N 2.94Å; T314-A317 VanDerWaalsContact O-N 3.15Å; T314-A317 PolarHBondContact OG1-N 3.31Å; T314-L318 WeakPolarHBondContact O-CG 3.26Å; T314-L318 PolarHBondContact O-N 2.93Å
315K95.4Very high92.6Very high74 Ų7462.9 Ų62.932%0.32234%0.336SS..Hα-helixtrans-50.4-48.7176178160.6169.8167.50111.5D293 D294 L295 V297 L300 A317 L318 I319D293-K315 WeakPolarHBondContact O-CE 3.49Å; D293-K315 PolarHBondContact O-NZ 3.4Å; D294-K315 PolarHBondContact O-NZ 2.97Å; L295-K315 WeakPolarHBondContact O-CE 3.36Å; L295-K315 PolarHBondContact O-NZ 3.12Å; V297-K315 HydrophobicContact CG2-CB 3.83Å; V297-K315 HydrophobicContact CG2-CD 4.17Å; V297-K315 HydrophobicContact CG2-CG 4.19Å; L300-K315 HydrophobicContact CD1-CD 4.19Å; L300-K315 HydrophobicContact CD1-CG 3.69Å; K315-A317 PolarHBondContact O-N 3.12Å; K315-L318 WeakPolarHBondContact O-CB 3.45Å; K315-L318 PolarHBondContact O-N 3.24Å; K315-L318 VanDerWaalsContact O-N 3.11Å; K315-I319 HydrophobicContact CD-CD1 4.46Å; K315-I319 HydrophobicContact CG-CD1 3.71Å; K315-I319 HydrophobicContact CG-CG1 4.43Å; K315-I319 WeakPolarHBondContact O-CG1 3.25Å; K315-I319 PolarHBondContact O-N 2.95Å
316Q94.9Very high91.3Very high74 Ų7458.5 Ų58.535%0.34632%0.32SS..Hα-helixtrans-55.4-48.9177.2-176.258.621.500113.3T314 L318 I319 E320T314-Q316 VanDerWaalsContact C-N 3.28Å; T314-Q316 PolarHBondContact O-N 2.87Å; Q316-L318 PolarHBondContact O-N 2.9Å; Q316-I319 WeakPolarHBondContact O-CB 3.36Å; Q316-I319 PolarHBondContact O-N 3.36Å; Q316-I319 VanDerWaalsContact O-N 3.08Å; Q316-E320 HydrophobicContact CG-CG 4.47Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.37Å; Q316-E320 PolarHBondContact NE2-OE1 3.47Å; Q316-E320 WeakPolarHBondContact O-CG 3.4Å; Q316-E320 PolarHBondContact O-N 2.97Å
317A94.8Very high89.3Confident20 Ų2060.9 Ų60.917%0.16533%0.334CS..Hα-helixtrans-68.3-16.4-179.200000113.6T314 K315 R321T314-A317 PolarHBondContact O-N 2.94Å; T314-A317 VanDerWaalsContact O-N 3.15Å; T314-A317 PolarHBondContact OG1-N 3.31Å; K315-A317 PolarHBondContact O-N 3.12Å; A317-R321 PolarHBondContact O-NE 2.92Å; A317-R321 PolarHBondContact O-NH1 3.31Å; A317-R321 PolarHBondContact O-NH2 3.4Å
318L96Very high87.2Confident0 Ų063.2 Ų63.20%036%0.357CS..Hα-helixtrans-83.3-41.6170.3-57166.9000110.9V297 L300 R301 L304 V311 T314 K315 Q316 R321 L322V297-L318 HydrophobicContact CG1-CD1 3.87Å; L300-L318 HydrophobicContact CB-CB 3.93Å; L300-L318 HydrophobicContact CB-CD1 4.2Å; L300-L318 HydrophobicContact CD1-CB 4.5Å; R301-L318 HydrophobicContact CG-CD1 3.85Å; R301-L318 HydrophobicContact CG-CD2 4.11Å; L304-L318 HydrophobicContact CD1-CB 3.67Å; L304-L318 HydrophobicContact CD1-CD2 3.36Å; L304-L318 HydrophobicContact CD1-CG 4.1Å; V311-L318 WeakPolarHBondContact O-CD2 3.47Å; T314-L318 WeakPolarHBondContact O-CG 3.26Å; T314-L318 PolarHBondContact O-N 2.93Å; K315-L318 WeakPolarHBondContact O-CB 3.45Å; K315-L318 PolarHBondContact O-N 3.24Å; K315-L318 VanDerWaalsContact O-N 3.11Å; Q316-L318 PolarHBondContact O-N 2.9Å; L318-R321 PolarHBondContact O-N 3.46Å; L318-L322 PolarHBondContact O-N 3.43Å
319I94.5Very high84.7Confident3 Ų367.1 Ų67.12%0.01537%0.365CS..Hα-helixtrans-59.6-47.3174.8-67.4164.9000110.5L292 D293 L300 K315 Q316 R321 L322 R323L292-I319 HydrophobicContact CB-CB 4.47Å; L292-I319 HydrophobicContact CB-CG1 4.17Å; L292-I319 HydrophobicContact CB-CG2 3.85Å; L292-I319 HydrophobicContact CD1-CG2 4.06Å; D293-I319 HydrophobicContact CB-CD1 4.35Å; L300-I319 HydrophobicContact CD1-CD1 4.26Å; L300-I319 HydrophobicContact CD1-CG1 3.78Å; L300-I319 HydrophobicContact CD2-CG1 3.8Å; L300-I319 HydrophobicContact CG-CG1 4.47Å; K315-I319 HydrophobicContact CD-CD1 4.46Å; K315-I319 HydrophobicContact CG-CD1 3.71Å; K315-I319 HydrophobicContact CG-CG1 4.43Å; K315-I319 WeakPolarHBondContact O-CG1 3.25Å; K315-I319 PolarHBondContact O-N 2.95Å; Q316-I319 WeakPolarHBondContact O-CB 3.36Å; Q316-I319 PolarHBondContact O-N 3.36Å; Q316-I319 VanDerWaalsContact O-N 3.08Å; I319-R321 VanDerWaalsContact C-N 3.3Å; I319-R321 PolarHBondContact O-N 3.29Å; I319-L322 CarbonylContact O-C 3.46Å; I319-L322 WeakPolarHBondContact O-CA 3.44Å; I319-L322 PolarHBondContact O-N 3.13Å; I319-R323 PolarHBondContact O-N 3.49Å
320E93.8Very high81.9Confident90 Ų9069.2 Ų69.242%0.42139%0.391SS..Hα-helixtrans-60.3-35.7-179.4-75165.217200113.4Q316 L322 R323 P324Q316-E320 HydrophobicContact CG-CG 4.47Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.37Å; Q316-E320 PolarHBondContact NE2-OE1 3.47Å; Q316-E320 WeakPolarHBondContact O-CG 3.4Å; Q316-E320 PolarHBondContact O-N 2.97Å; E320-L322 VanDerWaalsContact C-N 3.3Å; E320-R323 PolarHBondContact O-N 3.02Å; E320-P324 WeakPolarHBondContact O-CD 3.41Å
321R93.7Very high79.3Confident69 Ų6972.6 Ų72.626%0.2640%0.404SS..Hα-helixtrans-74.6-21.9174.2-69.9-179.7-140.9122.812.9113.1L304 M309 P310 S312 A317 L318 I319L304-R321 HydrophobicContact CD2-CB 3.55Å; M309-R321 HydrophobicContact CE-CB 3.93Å; M309-R321 VanDerWaalsContact CE-O 3.29Å; M309-R321 WeakPolarHBondContact CE-O 3.29Å; M309-R321 VanDerWaalsContact SD-O 3.38Å; P310-R321 PolarHBondContact O-NH1 2.9Å; S312-R321 VanDerWaalsContact O-CZ 3.31Å; S312-R321 PolarHBondContact O-NH1 2.99Å; S312-R321 PolarHBondContact O-NH2 3.12Å; A317-R321 PolarHBondContact O-NE 2.92Å; A317-R321 PolarHBondContact O-NH1 3.31Å; A317-R321 PolarHBondContact O-NH2 3.4Å; L318-R321 PolarHBondContact O-N 3.46Å; I319-R321 VanDerWaalsContact C-N 3.3Å; I319-R321 PolarHBondContact O-N 3.29Å
322L92.6Very high76.4Confident0 Ų076.3 Ų76.30%043%0.432CS..Hα-helixtrans-88.8-17.9173.8-71.1175.5000113L288 L292 L300 H303 L304 L318 I319 E320 F325L288-L322 HydrophobicContact CD1-CB 3.77Å; L288-L322 HydrophobicContact CD1-CD2 4.21Å; L288-L322 HydrophobicContact CD1-CG 4.47Å; L288-L322 WeakPolarHBondContact CD1-O 3.44Å; L288-L322 HydrophobicContact CD2-CD2 4.46Å; L292-L322 HydrophobicContact CD1-CB 3.58Å; L292-L322 HydrophobicContact CD2-CB 4Å; L292-L322 HydrophobicContact CD2-CD1 3.87Å; L292-L322 HydrophobicContact CG-CB 4.48Å; L300-L322 HydrophobicContact CB-CD1 4.38Å; L300-L322 HydrophobicContact CD2-CD1 3.65Å; H303-L322 HydrophobicContact CB-CD1 3.66Å; H303-L322 HydrophobicContact CB-CD2 3.9Å; H303-L322 HydrophobicContact CB-CG 4.46Å; L304-L322 HydrophobicContact CD2-CD2 3.69Å; L304-L322 HydrophobicContact CD2-CG 3.73Å; L304-L322 HydrophobicContact CG-CD1 4.11Å; L304-L322 HydrophobicContact CG-CD2 3.84Å; L304-L322 HydrophobicContact CG-CG 3.78Å; L318-L322 PolarHBondContact O-N 3.43Å; I319-L322 CarbonylContact O-C 3.46Å; I319-L322 WeakPolarHBondContact O-CA 3.44Å; I319-L322 PolarHBondContact O-N 3.13Å; E320-L322 VanDerWaalsContact C-N 3.3Å; L322-F325 PolarHBondContact O-N 2.9Å
323R89.6Confident73.6Confident116 Ų11679.6 Ų79.644%0.43846%0.455SS..G310 helixtrans-49.7-47.4177.7-78.4-177.5-177.2164.6-0.3113.6I319 E320 F325 R326I319-R323 PolarHBondContact O-N 3.49Å; E320-R323 PolarHBondContact O-N 3.02Å; R323-F325 PolarHBondContact O-N 3.38Å; R323-R326 WeakPolarHBondContact O-CB 3.39Å; R323-R326 WeakPolarHBondContact O-CG 3.47Å; R323-R326 PolarHBondContact O-N 3.45Å
324P82.5Confident71.1Confident92 Ų9283.7 Ų83.760%0.59747%0.474SS*.G310 helixtrans-63.1-1.8179-23.635.3000116.4E320E320-P324 WeakPolarHBondContact O-CD 3.41Å
325F77.9Confident68.1Low86 Ų8685.3 Ų85.338%0.37749%0.489SS..G310 helixtrans-116.315.1177.4-52.7-91.9000112.2L288 M309 L322 R323L288-F325 HydrophobicContact CD1-CB 3.69Å; L288-F325 HydrophobicContact CG-CB 4.24Å; M309-F325 HydrophobicContact CE-CE2 4.01Å; M309-F325 HydrophobicContact SD-CD2 4.31Å; M309-F325 HydrophobicContact SD-CE2 3.44Å; M309-F325 WeakPolarHBondContact SD-CE2 3.42Å; M309-F325 HydrophobicContact SD-CZ 3.97Å; L322-F325 PolarHBondContact O-N 2.9Å; R323-F325 PolarHBondContact O-N 3.38Å
326R69.3Low64.9Low61 Ų6185.5 Ų85.523%0.2351%0.511CS..THydrogen-bonded Turntrans-88.5-40.4174.8-63.3-89.3-108.3171.15.2112.1L288 P289 A290 N291 L292 D293 R323 S328L288-R326 HydrophobicContact CD1-CG 4.38Å; P289-R326 PolarHBondContact O-NH1 3.46Å; A290-R326 PolarHBondContact O-NH1 2.88Å; A290-R326 PolarHBondContact O-NH2 3.16Å; N291-R326 VanDerWaalsContact N-NH1 3.17Å; L292-R326 VanDerWaalsContact CD1-CD 3.47Å; L292-R326 HydrophobicContact CD1-CG 3.95Å; D293-R326 IonicContact OD2-NH2 3.78Å; R323-R326 WeakPolarHBondContact O-CB 3.39Å; R323-R326 WeakPolarHBondContact O-CG 3.47Å; R323-R326 PolarHBondContact O-N 3.45Å; R326-S328 PolarHBondContact O-N 3.44Å
327D51.7Low61.7Low136 Ų13687 Ų8773%0.72753%0.53SS*.  trans-84.661.4-153.3-48.1-49.6000111.3
328S48.1Very low58.7Low93 Ų9390.3 Ų90.365%0.6555%0.552SS**SBendtrans-147.410.5-173.8-58.80000115.1R326R326-S328 PolarHBondContact O-N 3.44Å
329N41.5Very low55.7Low132 Ų13297.2 Ų97.271%0.70659%0.589SS**SBendtrans-155.990.4170.7-83.1-51000111.4
330A34.8Very low52.6Low94 Ų94104.2 Ų104.278%0.77763%0.625SS**  trans-175.692.1155.500000109.2
331D38.8Very low49.6Very low158 Ų158105.7 Ų105.785%0.84564%0.64SS**  trans17.1132.8158.2-55-53.9000120.1
332S32.9Very low46.8Very low123 Ų123107.8 Ų107.886%0.8666%0.661SS**  -143.6155.17757.10000116.3
333S35.2Very low43.8Very low108 Ų108115 Ų11576%0.75570%0.699SS**  trans-133.5149171.1-64.70000110
334P40.3Very low40.9Very low132 Ų132115.6 Ų115.686%0.85772%0.715SS**  trans-95.9157.8158.634.8-29.5000111.9
335S31.2Very low38.3Very low131 Ų131120.6 Ų120.692%0.91673%0.728SS**  trans-96.1156.1-169-170.70000114.3
336G29Very low36.4Very low77 Ų77121.8 Ų121.879%0.79474%0.744SS**  trans-159.2117.5176.900000112.5
337S28.7Very low34.5Very low107 Ų107125.1 Ų125.175%0.74877%0.771SS**  trans-87.4160.3-161.8-179.60000116.6
338S31.3Very low33.7Very low88 Ų88124.8 Ų124.862%0.61577%0.774SS**  trans78.9119145.130.80000122.8
339D32.1Very low33.1Very low146 Ų146126.2 Ų126.278%0.78178%0.781SS**  86.5103123.9-57-16.3000124.5
340I30.2Very low32.5Very low149 Ų149126.7 Ų126.776%0.76479%0.789SS**  73.6102.7122-84.3171.5000121.6
341T31.3Very low32.3Very low121 Ų121126 Ų12674%0.74279%0.791SS**  trans62.7133.3130.7-360000121.8
342T32.9Very low31.8Very low113 Ų113123.5 Ų123.569%0.69379%0.786SS**  trans125.6103.2139.6-46.60000116.4
343L30.7Very low31.8Very low153 Ų153124.7 Ų124.780%0.80178%0.782SS**  trans52.4127.5145.9-60.3173.9000122.9
344T28.9Very low31.4Very low127 Ų127125 Ų12578%0.77978%0.784SS**  trans76.2128.1135.5-57.30000120.3
345F28.4Very low30.7Very low197 Ų197123.6 Ų123.686%0.86478%0.777SS**  trans-52.8143.8166.5-63.3-84000112.2
346P37.7Very low30.6Very low112 Ų112127.9 Ų127.973%0.72778%0.775SS**  -155165.677.641.5-22.3000118.7
347V29.9Very low30.6Very low130 Ų130132.8 Ų132.879%0.78878%0.777SS**  trans36.1129.6137.7-178.70000120.9
348T34.3Very low30.5Very low129 Ų129132.2 Ų132.279%0.79177%0.773SS**  trans-60.1142168.5-3.70000115
349P36Very low30.8Very low123 Ų123134.4 Ų134.480%0.79979%0.785SS**  trans-130.2175.3138.636.2-24.7000113.7
350T28Very low30.6Very low142 Ų142132.6 Ų132.687%0.87178%0.784SS**  trans-115.8155.4-158.850.20000116.1
351G29.5Very low30.6Very low79 Ų79131.5 Ų131.581%0.81479%0.79SS**  trans109.6156.2158.300000114.6
352S30Very low30.6Very low107 Ų107131.1 Ų131.175%0.74879%0.792SS**  cis-166.5158.3-5.9-157.60000106.8
353L32.6Very low30.6Very low148 Ų148130 Ų13078%0.77579%0.788SS**  cis-166.7159.647.7-84.3163.5000110.8
354S26.1Very low30.6Very low115 Ų115130 Ų13080%0.80479%0.789SS**  trans61.7146.2153.9-68.60000119.7
355S25.1Very low30.8Very low101 Ų101131.5 Ų131.571%0.70679%0.792SS**  cis-145.2168.52.9-159.60000112.1
356Y28.9Very low30.9Very low221 Ų221127.1 Ų127.187%0.86779%0.786SS**  trans-32.9151.1171.5-68.4-100.9000115.4
357Q29.5Very low30.6Very low181 Ų181131.2 Ų131.285%0.84680%0.795SS**  cis-155.6145.342.3-170.2171.835.700113.7
358S26.3Very low30.5Very low95 Ų95128.6 Ų128.666%0.66480%0.795SS**  trans-113.8168.8165.5-50.40000110.2
359P38.1Very low30.3Very low133 Ų133126 Ų12686%0.86479%0.793SS**  -131.1145.7113.536.4-30.2000113.5
360S27.8Very low30.2Very low109 Ų109131.4 Ų131.476%0.76280%0.799SS**  trans-111.6152.7167.4-49.60000109.4
361S30.6Very low30.7Very low126 Ų126133 Ų13388%0.88179%0.794SS**  trans-137.9117.5162.1-750000111.1
362S32.2Very low31.1Very low112 Ų112134.9 Ų134.978%0.78379%0.792SS**  trans-74.5178.6160.553.60000109.9
363S31.4Very low31Very low89 Ų89138 Ų13862%0.62279%0.793SS**  cis-177.4152.736.253.60000114.1
364N30.1Very low31.4Very low153 Ų153135.9 Ų135.982%0.81879%0.788SS**  trans62.8142.8133.1-60.7-0.3000124.7
365L34.9Very low31.6Very low159 Ų159135 Ų13583%0.83278%0.782SS**  trans85.6140.6143.2-161.562.2000119.7
366S30.4Very low32Very low106 Ų106136.4 Ų136.474%0.74179%0.786SS**  trans-131.6115.9175-50.90000110.7
367Q29.8Very low32.1Very low198 Ų198131.9 Ų131.993%0.92579%0.787SS**  trans172.6136.8164.3-100.2163.534.700106.9
368G28.8Very low32.3Very low75 Ų75127.9 Ų127.977%0.77378%0.779SS**  cis178.8156.3-7.800000111.1
369G29.9Very low32.7Very low73 Ų73129.9 Ų129.975%0.75379%0.787SS**  trans86.7145.6-174.900000113.3
370Y33.6Very low33.3Very low237 Ų237128.8 Ų128.893%0.92978%0.78SS**  cis-126.6162.310.6-82.1-109.6000112.9
371F38.6Very low34.3Very low176 Ų176129.6 Ų129.677%0.77278%0.783SS**  trans-79.7166.7171-84.1-94.1000111.5F373F371-F373 HydrophobicContact CD1-CD2 4.47Å; F371-F373 HydrophobicContact CD1-CE2 4.25Å; F371-F373 HydrophobicContact CE1-CE2 4.25Å
372P37.8Very low34.5Very low118 Ų118131.3 Ų131.377%0.76678%0.78SS**  cis-146.5-176.833.642.9-21.4000119.8
373F28.3Very low34.4Very low173 Ų173131.2 Ų131.276%0.75978%0.78SS**  trans-46.6174.9163.4-68.7-78000117.4F371F371-F373 HydrophobicContact CD1-CD2 4.47Å; F371-F373 HydrophobicContact CD1-CE2 4.25Å; F371-F373 HydrophobicContact CE1-CE2 4.25Å
374P40.6Very low34.7Very low104 Ų104133.1 Ų133.168%0.67579%0.79SS**  cis-145-170.7-31.139.4-19.7000116
375S30.8Very low34.6Very low97 Ų97130.1 Ų130.168%0.67879%0.786SS**  trans79.4117.4138.8-70.40000124.9
376T32.9Very low34.3Very low130 Ų130127.9 Ų127.980%0.79878%0.784SS**  53.5112.113064.50000123.4
377S31Very low34.6Very low126 Ų126127.9 Ų127.988%0.88178%0.784SS**  trans171.1171.7135.648.90000109
378S33.4Very low34.8Very low96 Ų96125.2 Ų125.267%0.67178%0.776SS**  cis176.1112.1-44.1-178.10000106.1
379T35.7Very low35.4Very low137 Ų137128.4 Ų128.484%0.8478%0.775SS**  trans64.1161.5161.837.80000119.2
380P51Low35.7Very low110 Ų110128.8 Ų128.871%0.71477%0.766SS**  trans-110.5169-153.641.8-36.4000116.5
381P49.4Very low35.6Very low127 Ų127125 Ų12583%0.82576%0.76SS**  trans-87.6167.7166.536.6-34.8000113.6
382I32.9Very low35.4Very low162 Ų162122.6 Ų122.683%0.83177%0.766SS**  trans-120.1161.6177.4-54.9168.6000108.9
383S30.4Very low35.1Very low110 Ų110120.4 Ų120.477%0.76977%0.765SS**  trans-56.7156.4179.8-36.90000115.6
384P38.4Very low35.3Very low129 Ų129118.3 Ų118.384%0.83877%0.771SS**  trans-107171.1147.937.9-30.3000112
385A29Very low35.1Very low90 Ų90121.2 Ų121.274%0.74478%0.781SS**  trans-149.7167.8175.700000112.3
386S28.4Very low36Very low111 Ų111122.1 Ų122.178%0.77678%0.784SS**  trans95.5139.5153.5-53.60000121.8
387S35.2Very low35.7Very low107 Ų107122.8 Ų122.875%0.74878%0.783SS**  trans89.6115.1143.8-60.70000122.4
388D35.4Very low35.9Very low142 Ų142120.5 Ų120.576%0.75977%0.766SS**  177.3158.1116.1-91.71.3000108.4
389L40.1Very low35.7Very low142 Ų142125.1 Ų125.174%0.74378%0.775SS**  cis-161.4-173.2-13.6-106.4171000106.1
390S37.3Very low35.7Very low80 Ų80123.4 Ų123.456%0.55977%0.768SS**  cis-164153.311.2-139.80000113.2
391L31.3Very low34.7Very low157 Ų157125.5 Ų125.582%0.82277%0.774SS**  trans66.8141145.3-71.2163.3000124.5
392S34.2Very low34.1Very low126 Ų126125.4 Ų125.488%0.88177%0.77SS**  trans68.1131.6174.4-55.40000115.9
393G30.3Very low35.4Very low72 Ų72122.6 Ų122.674%0.74276%0.763SS**  cis124.1119.512.900000108.4
394S32.5Very low35.4Very low129 Ų129125.3 Ų125.390%0.90277%0.765SS**  cis-151.8178.434.1-58.60000113.6
395L37.4Very low35Very low166 Ų166123.9 Ų123.987%0.86976%0.758SS**  trans-79.1174.8170.4-72.9171.4000113
396P49.9Very low35.5Very low115 Ų115124.9 Ų124.975%0.74776%0.76SS**  cis-134.8-176.1-10.232-9.9000115.9
397D26.8Very low36.2Very low145 Ų145125.5 Ų125.578%0.77576%0.761SS**  trans108147.2130.4-150.138.4000123.5
398S34.6Very low36.2Very low77 Ų77127.1 Ų127.154%0.53876%0.761SS.*  trans56.6110.3151.8-77.70000124.9
399F30.4Very low36.1Very low194 Ų194127.6 Ų127.685%0.85176%0.759SS**  69.8152.5120.9-89.5-87.3000124.7
400S34Very low35.8Very low100 Ų100128.8 Ų128.870%0.69976%0.759SS**  trans74.799.2150.4-61.10000122.4
401D31.1Very low35.2Very low155 Ų155131 Ų13183%0.82976%0.764SS**  54157.1106-126.2-31.8000124.2
402V37.2Very low35.2Very low124 Ų124129.9 Ų129.975%0.75276%0.758SS**  trans72.1137.6161.4172.10000118.5
403P60Low34.9Very low103 Ų103132 Ų13267%0.66975%0.754SS**  trans-104.2166.7-17440.4-36.3000114.3
404M30.1Very low35.5Very low168 Ų168133.4 Ų133.483%0.82875%0.75SS**  trans-154.8156.7149.1-108.7-50.3108.600115.5
405S29.4Very low35.5Very low98 Ų98132.3 Ų132.369%0.68574%0.743SS**  trans-16.8147.4169.1-56.20000121.3
406S39.8Very low35.5Very low112 Ų112130.5 Ų130.578%0.78374%0.741SS**  trans-53.4156.8155.9-40.90000112.4
407P42.8Very low34.6Very low123 Ų123130.6 Ų130.680%0.79974%0.739SS**  -143.1165.3108.638.2-26.1000115.6
408N35.6Very low34.9Very low141 Ų141131.9 Ų131.975%0.75474%0.741SS**  trans-66.6149.7171.4-55.9-16.7000112.2
409Q34.1Very low34.6Very low152 Ų152134.6 Ų134.671%0.7175%0.754SS**  169.9171109-92.3167.7103.400113.1
410F33.2Very low34.9Very low168 Ų168130 Ų13074%0.73775%0.752SS**  trans73.3144.9161.8-53.3-59.8000117.6
411N25.3Very low35Very low126 Ų126132.8 Ų132.867%0.67476%0.757SS**  cis-159.9165.2-32.4-1334.3000109.8
412L29.6Very low35.3Very low134 Ų134133 Ų13370%0.70275%0.754SS**  trans27.1111.8149.8-58.2171.3000118.8
413Q29.7Very low35.3Very low170 Ų170135.8 Ų135.879%0.79476%0.764SS**  82.116290.6-153.5-129.4-9.100113.3
414P41.9Very low34.1Very low101 Ų101133.7 Ų133.766%0.65676%0.762SS**  cis-108.9179.3-35.128.9-10.8000113.5
415S32.3Very low34.3Very low107 Ų107134.4 Ų134.475%0.74877%0.768SS**  trans-73.2157.8163.3-36.10000112.9
416P37.4Very low34.5Very low128 Ų128133.6 Ų133.683%0.83178%0.775SS**  trans-106.5162.8140.735.6-30.2000111.3
417T31Very low34.4Very low116 Ų116133.3 Ų133.371%0.71278%0.779SS**  trans-113.9147.1-17244.30000113.9
418Q32.9Very low34Very low173 Ų173131.3 Ų131.381%0.80878%0.781SS**  trans72.8169.8150.4-74.6179.292.900120.4
419T29Very low34.1Very low134 Ų134128.5 Ų128.582%0.82279%0.786SS**  trans75.1121.7176.160.40000116.8
420A37.2Very low34.2Very low98 Ų98125.5 Ų125.581%0.8180%0.795SS**  trans-78162.7163.400000110
421I34.5Very low34.3Very low157 Ų157121.4 Ų121.481%0.80580%0.8SS**  trans-138.5131166.5-51.4178.4000107
422E37.8Very low34.8Very low161 Ų161119.7 Ų119.775%0.75280%0.804SS**  trans-80.9147.9173.954-93.677.200113.4G424E422-G424 PolarHBondContact O-N 2.92Å
423D37.4Very low35.3Very low181 Ų181124.6 Ų124.697%0.96881%0.813SS**  trans-71.3106.5165.2-94.5-53.5000109.6
424G34.5Very low35.7Very low60 Ų60123.5 Ų123.562%0.61982%0.817SS**  trans-163.658.4-166.400000117.8E422E422-G424 PolarHBondContact O-N 2.92Å
425L34.6Very low35.7Very low183 Ų183124.7 Ų124.796%0.95883%0.827SS**  trans25.9116.8149.7-57.8172.4000119.3
426G34Very low35.9Very low80 Ų80123.7 Ų123.783%0.82583%0.834SS**  trans163.7118.6153.600000119.5
427A36.7Very low35.7Very low107 Ų107121.2 Ų121.288%0.88483%0.831SS**  trans-32.9124.6167.900000118.8
428G36.2Very low36.4Very low80 Ų80123.1 Ų123.183%0.82584%0.837SS**  74.1137.6103.800000121.2
429G36.8Very low36.8Very low83 Ų83124.1 Ų124.186%0.85684%0.841SS**  trans103.2106.7158.500000115.2
430G37.2Very low37.7Very low88 Ų88128.5 Ų128.591%0.90784%0.843SS**  trans-79.3166.2176.600000114.1
431G35.1Very low37.9Very low82 Ų82131.1 Ų131.185%0.84585%0.848SS**  trans-178.6132.9175.500000112.1
432A35.5Very low38.1Very low91 Ų91127 Ų12775%0.75285%0.845SS**  trans-78.8147.8-174.600000113.7
433R40.3Very low38.6Very low236 Ų236128 Ų12889%0.89185%0.85SS**  trans37.6125.9141.8-57174.4-176.3-171.11.2119
434V37.2Very low39.1Very low147 Ų147127.1 Ų127.189%0.89185%0.845SS**  -173161112.5141.40000110.2
435C41.2Very low39.9Very low127 Ų127133.4 Ų133.486%0.85886%0.859SS**  trans-90.8156.6-172.4-480000113.4
436G37.3Very low40.9Very low86 Ų86135.9 Ų135.989%0.88786%0.855SS**  trans128.7128.2148.200000116.1
437G33.8Very low41.8Very low75 Ų75138.2 Ų138.277%0.77385%0.849SS**  trans149.8101.4169.500000113.7
438N45.6Very low42.7Very low156 Ų156138.8 Ų138.883%0.83484%0.837SS**  trans-75.3141.8169.9-69.78.6000110.6
439Q40.8Very low43.7Very low194 Ų194137.2 Ų137.291%0.90782%0.821SS**  trans-157146.8142.9-107.8137.9111.800110
440R47.6Very low44.9Very low226 Ų226136.9 Ų136.985%0.85381%0.805SS**  trans-108.5131.4-178.9-26.9168.2-172.6-113.24.4109.1
441V41.7Very low46.4Very low153 Ų153136.8 Ų136.893%0.92778%0.784SS**  trans-153.4142.8156.6-174.70000107.5
442G39.7Very low48.2Very low72 Ų72138.8 Ų138.874%0.74277%0.771SS**  trans95.456.915900000117.8
443E47.3Very low50.4Low180 Ų180136.9 Ų136.984%0.84176%0.755SS**  trans-9866.2170.2-68176.7-156.200111.5
444D48.9Very low52.5Low163 Ų163131.7 Ų131.787%0.87274%0.741SS**  trans-153.616.5178-137.1-12.3000117.3
445E51.1Low54.9Low193 Ų193130.2 Ų130.290%0.90272%0.722SS**SBendtrans-136.252.6-174.9-151-178.1146.700113.9
446R55.3Low57.4Low234 Ų234128.7 Ų128.788%0.88371%0.706SS**  trans-151.423.7178.7-135.3-176.6-173.3-75.9-4.7119.6
447N53.7Low60.1Low130 Ų130131.8 Ų131.870%0.69570%0.695SS**SBendtrans-90.9-29178.9-157.628000114.7G449 S450N447-G449 PolarHBondContact O-N 3.27Å; N447-S450 WeakPolarHBondContact O-CB 3.32Å; N447-S450 PolarHBondContact O-N 2.94Å; N447-S450 VanDerWaalsContact O-N 3.16Å
448D54.7Low63Low118 Ų118132.7 Ų132.763%0.63168%0.68SS**Hα-helixtrans-63.1-40.6-171.2-167.751.2000113.6S450 L451 E452D448-S450 PolarHBondContact O-N 3.17Å; D448-L451 WeakPolarHBondContact O-CB 3.38Å; D448-L451 PolarHBondContact O-N 3.47Å; D448-E452 PolarHBondContact O-N 2.97Å
449G57.3Low65.4Low47 Ų47130.6 Ų130.649%0.48567%0.668SS.*Hα-helixtrans-62.2-14.917800000115.1N447 A453N447-G449 PolarHBondContact O-N 3.27Å; G449-A453 WeakPolarHBondContact O-CB 3.26Å; G449-A453 PolarHBondContact O-N 2.84Å; G449-A453 VanDerWaalsContact O-N 3.09Å
450S62.2Low68.1Low76 Ų76125.5 Ų125.553%0.53165%0.65SS.*Hα-helixtrans-72.9-36.8171.7-167.30000111.8N447 D448 E454N447-S450 WeakPolarHBondContact O-CB 3.32Å; N447-S450 PolarHBondContact O-N 2.94Å; N447-S450 VanDerWaalsContact O-N 3.16Å; D448-S450 PolarHBondContact O-N 3.17Å; S450-E454 WeakPolarHBondContact O-CB 3.02Å; S450-E454 PolarHBondContact O-N 2.89Å
451L67.3Low70.4Confident87 Ų87119.5 Ų119.546%0.45563%0.632SS.*Hα-helixtrans-74.5-30.9177.4-61.6173.2000111.4D448 K455D448-L451 WeakPolarHBondContact O-CB 3.38Å; D448-L451 PolarHBondContact O-N 3.47Å; L451-K455 VanDerWaalsContact O-CG 3.26Å; L451-K455 WeakPolarHBondContact O-CG 3.48Å; L451-K455 PolarHBondContact O-N 3.39Å
452E73.9Confident73Confident124 Ų124117.6 Ų117.658%0.57961%0.611SS**Hα-helixtrans-67.8-45.7170.3-169.4119.9-90.100111.8D448 E454 K455 D456D448-E452 PolarHBondContact O-N 2.97Å; E452-E454 PolarHBondContact O-N 2.86Å; E452-K455 WeakPolarHBondContact O-CB 3.35Å; E452-K455 PolarHBondContact O-N 3.45Å; E452-K455 VanDerWaalsContact O-N 3.15Å; E452-D456 PolarHBondContact O-N 3.12Å
453A81.1Confident75.8Confident50 Ų50118.6 Ų118.641%0.41360%0.596SS.*Hα-helixtrans-63-29.1174.700000113.1G449 K457G449-A453 WeakPolarHBondContact O-CB 3.26Å; G449-A453 PolarHBondContact O-N 2.84Å; G449-A453 VanDerWaalsContact O-N 3.09Å; A453-K457 VanDerWaalsContact O-CG 3.3Å; A453-K457 WeakPolarHBondContact O-CG 3.47Å; A453-K457 PolarHBondContact O-N 3.03Å; A453-K457 VanDerWaalsContact O-N 3.1Å
454E85.6Confident78.2Confident127 Ų127117.2 Ų117.259%0.59358%0.583SS**Hα-helixtrans-74.6-39.6172.2-174.2167.5-140.200112.5S450 E452 D456 K457 M458S450-E454 WeakPolarHBondContact O-CB 3.02Å; S450-E454 PolarHBondContact O-N 2.89Å; E452-E454 PolarHBondContact O-N 2.86Å; E454-D456 VanDerWaalsContact C-N 3.34Å; E454-D456 PolarHBondContact O-N 3.35Å; E454-K457 PolarHBondContact O-N 3.34Å; E454-M458 WeakPolarHBondContact O-CB 3.39Å; E454-M458 PolarHBondContact O-N 2.95Å
455K87.5Confident80.5Confident116 Ų116112.6 Ų112.650%0.50456%0.561SS.*Hα-helixtrans-60.3-42.3170.9-73.4164.8-170.6162.50111.7L451 E452 M458 L459L451-K455 VanDerWaalsContact O-CG 3.26Å; L451-K455 WeakPolarHBondContact O-CG 3.48Å; L451-K455 PolarHBondContact O-N 3.39Å; E452-K455 WeakPolarHBondContact O-CB 3.35Å; E452-K455 PolarHBondContact O-N 3.45Å; E452-K455 VanDerWaalsContact O-N 3.15Å; K455-M458 CarbonylContact O-C 3.6Å; K455-M458 PolarHBondContact O-N 3.43Å; K455-L459 WeakPolarHBondContact O-CB 3.47Å; K455-L459 PolarHBondContact O-N 3.48Å
456D93.2Very high82.7Confident95 Ų95107.7 Ų107.751%0.50854%0.54SS..Hα-helixtrans-65.5-45.4177.3-174.159.3000111.5E452 E454 M458 L459 V460E452-D456 PolarHBondContact O-N 3.12Å; E454-D456 VanDerWaalsContact C-N 3.34Å; E454-D456 PolarHBondContact O-N 3.35Å; D456-M458 VanDerWaalsContact C-N 3.32Å; D456-M458 PolarHBondContact O-N 3.27Å; D456-L459 WeakPolarHBondContact O-CA 3.35Å; D456-L459 WeakPolarHBondContact O-CB 3.31Å; D456-L459 PolarHBondContact O-N 3.41Å; D456-V460 WeakPolarHBondContact O-CG2 3.2Å; D456-V460 PolarHBondContact O-N 2.79Å
457K94.7Very high84.8Confident152 Ų152102 Ų10266%0.66152%0.524SS*.Hα-helixtrans-56.9-43.1170.8-76.6173.3179.8179.70112.7A453 E454 L459 V460 E461A453-K457 VanDerWaalsContact O-CG 3.3Å; A453-K457 WeakPolarHBondContact O-CG 3.47Å; A453-K457 PolarHBondContact O-N 3.03Å; A453-K457 VanDerWaalsContact O-N 3.1Å; E454-K457 PolarHBondContact O-N 3.34Å; K457-L459 VanDerWaalsContact C-N 3.3Å; K457-L459 PolarHBondContact O-N 2.76Å; K457-V460 PolarHBondContact O-N 3.05Å; K457-E461 WeakPolarHBondContact O-CB 3.5Å; K457-E461 PolarHBondContact O-N 3.09Å
458M94.8Very high86.9Confident93 Ų93100.2 Ų100.246%0.45851%0.511SS..Hα-helixtrans-65.9-32.2174.8174.6178.246.200112.2E454 K455 D456 K462E454-M458 WeakPolarHBondContact O-CB 3.39Å; E454-M458 PolarHBondContact O-N 2.95Å; K455-M458 CarbonylContact O-C 3.6Å; K455-M458 PolarHBondContact O-N 3.43Å; D456-M458 VanDerWaalsContact C-N 3.32Å; D456-M458 PolarHBondContact O-N 3.27Å; M458-K462 HydrophobicContact CG-CD 4Å; M458-K462 VanDerWaalsContact O-CB 3.3Å; M458-K462 WeakPolarHBondContact O-CB 3.39Å; M458-K462 WeakPolarHBondContact O-CD 3.35Å; M458-K462 WeakPolarHBondContact O-CG 3.42Å; M458-K462 PolarHBondContact O-N 3.03Å; M458-K462 PolarHBondContact SD-NZ 3.41Å
459L96.2Very high88.9Confident112 Ų11299.5 Ų99.559%0.58651%0.507SS*.Hα-helixtrans-70-45.1175.5-177.762.4000111K455 D456 K457 K462 Q463K455-L459 WeakPolarHBondContact O-CB 3.47Å; K455-L459 PolarHBondContact O-N 3.48Å; D456-L459 WeakPolarHBondContact O-CA 3.35Å; D456-L459 WeakPolarHBondContact O-CB 3.31Å; D456-L459 PolarHBondContact O-N 3.41Å; K457-L459 VanDerWaalsContact C-N 3.3Å; K457-L459 PolarHBondContact O-N 2.76Å; L459-K462 PolarHBondContact O-N 3.36Å; L459-Q463 WeakPolarHBondContact O-CB 3.44Å; L459-Q463 PolarHBondContact O-N 2.98Å
460V96.2Very high90.8Very high88 Ų88101.3 Ų101.353%0.53351%0.509SS..Hα-helixtrans-61.1-43.9174172.10000111.3D456 K457 Q463 R464D456-V460 WeakPolarHBondContact O-CG2 3.2Å; D456-V460 PolarHBondContact O-N 2.79Å; K457-V460 PolarHBondContact O-N 3.05Å; V460-Q463 WeakPolarHBondContact O-CB 3.21Å; V460-Q463 PolarHBondContact O-N 3.27Å; V460-R464 WeakPolarHBondContact O-CB 3.4Å; V460-R464 PolarHBondContact O-N 2.9Å
461E95.9Very high92.6Very high100 Ų100105.4 Ų105.447%0.46751%0.512SS..Hα-helixtrans-69.4-35.9177.7-169.757.6-153.600112K457 Q463 R464 V465K457-E461 WeakPolarHBondContact O-CB 3.5Å; K457-E461 PolarHBondContact O-N 3.09Å; E461-Q463 VanDerWaalsContact C-N 3.35Å; E461-R464 WeakPolarHBondContact O-CB 3.36Å; E461-R464 PolarHBondContact O-N 3.34Å; E461-R464 WeakPolarHBondContact OE1-CD 3.46Å; E461-R464 VanDerWaalsContact OE2-CD 3.26Å; E461-R464 WeakPolarHBondContact OE2-CD 3.27Å; E461-V465 WeakPolarHBondContact O-CG2 3.08Å; E461-V465 PolarHBondContact O-N 3.25Å
462K96.8Very high94Very high113 Ų113106.2 Ų106.249%0.49151%0.512SS..Hα-helixtrans-63.7-39.7170.5-79.1169.1179.8169.50112M458 L459 V465 I466M458-K462 HydrophobicContact CG-CD 4Å; M458-K462 VanDerWaalsContact O-CB 3.3Å; M458-K462 WeakPolarHBondContact O-CB 3.39Å; M458-K462 WeakPolarHBondContact O-CD 3.35Å; M458-K462 WeakPolarHBondContact O-CG 3.42Å; M458-K462 PolarHBondContact O-N 3.03Å; M458-K462 PolarHBondContact SD-NZ 3.41Å; L459-K462 PolarHBondContact O-N 3.36Å; K462-V465 PolarHBondContact O-N 2.97Å; K462-I466 WeakPolarHBondContact O-CD1 3.21Å; K462-I466 VanDerWaalsContact O-CG1 3.23Å; K462-I466 WeakPolarHBondContact O-CG1 3.42Å; K462-I466 PolarHBondContact O-N 3.04Å
463Q97.9Very high95.2Very high93 Ų93105.7 Ų105.744%0.43551%0.513SS..Hα-helixtrans-64.1-43.8174.918057.230.200111.3L459 V460 E461 V465 I466 E467L459-Q463 WeakPolarHBondContact O-CB 3.44Å; L459-Q463 PolarHBondContact O-N 2.98Å; V460-Q463 WeakPolarHBondContact O-CB 3.21Å; V460-Q463 PolarHBondContact O-N 3.27Å; E461-Q463 VanDerWaalsContact C-N 3.35Å; Q463-V465 PolarHBondContact O-N 2.92Å; Q463-I466 WeakPolarHBondContact O-CB 3.44Å; Q463-I466 PolarHBondContact O-N 3.29Å; Q463-E467 WeakPolarHBondContact CG-OE1 3.08Å; Q463-E467 PolarHBondContact NE2-OE1 3.12Å; Q463-E467 WeakPolarHBondContact O-CG 3.34Å; Q463-E467 PolarHBondContact O-N 2.85Å
464R98.1Very high96Very high150 Ų150108.7 Ų108.757%0.56652%0.518SS*.Hα-helixtrans-56.5-46.3172.5-175-162.1178.786.45.8112.1V460 E461 E467 E468V460-R464 WeakPolarHBondContact O-CB 3.4Å; V460-R464 PolarHBondContact O-N 2.9Å; E461-R464 WeakPolarHBondContact O-CB 3.36Å; E461-R464 PolarHBondContact O-N 3.34Å; E461-R464 WeakPolarHBondContact OE1-CD 3.46Å; E461-R464 VanDerWaalsContact OE2-CD 3.26Å; E461-R464 WeakPolarHBondContact OE2-CD 3.27Å; R464-E467 PolarHBondContact O-N 3.44Å; R464-E468 PolarHBondContact O-N 3.17Å
465V97.4Very high96.5Very high67 Ų67104.7 Ų104.741%0.40650%0.499SS..Hα-helixtrans-65-38.8176.8169.30000111.5E461 K462 Q463 E468 L469E461-V465 WeakPolarHBondContact O-CG2 3.08Å; E461-V465 PolarHBondContact O-N 3.25Å; K462-V465 PolarHBondContact O-N 2.97Å; Q463-V465 PolarHBondContact O-N 2.92Å; V465-E468 PolarHBondContact O-N 3.47Å; V465-L469 HydrophobicContact CG1-CD1 3.78Å; V465-L469 HydrophobicContact CG1-CG 4.29Å; V465-L469 VanDerWaalsContact O-CB 3.31Å; V465-L469 WeakPolarHBondContact O-CB 3.47Å; V465-L469 VanDerWaalsContact O-CG 3.24Å; V465-L469 WeakPolarHBondContact O-CG 3.31Å; V465-L469 PolarHBondContact O-N 2.94Å
466I97.9Very high96.9Very high90 Ų90105 Ų10546%0.46250%0.503SS..Hα-helixtrans-62.2-43.4174-72.3162.4000110.8K462 Q463 T470K462-I466 WeakPolarHBondContact O-CD1 3.21Å; K462-I466 VanDerWaalsContact O-CG1 3.23Å; K462-I466 WeakPolarHBondContact O-CG1 3.42Å; K462-I466 PolarHBondContact O-N 3.04Å; Q463-I466 WeakPolarHBondContact O-CB 3.44Å; Q463-I466 PolarHBondContact O-N 3.29Å; I466-T470 WeakPolarHBondContact O-CB 3.2Å; I466-T470 PolarHBondContact O-N 3.01Å; I466-T470 PolarHBondContact O-OG1 2.85Å
467E98Very high97.1Very high114 Ų114106.1 Ų106.153%0.53351%0.505SS..Hα-helixtrans-65-45.4177.8-74.6169.1-160.600112.1Q463 R464 T470 W471Q463-E467 WeakPolarHBondContact CG-OE1 3.08Å; Q463-E467 PolarHBondContact NE2-OE1 3.12Å; Q463-E467 WeakPolarHBondContact O-CG 3.34Å; Q463-E467 PolarHBondContact O-N 2.85Å; R464-E467 PolarHBondContact O-N 3.44Å; E467-T470 PolarHBondContact O-N 2.99Å; E467-W471 WeakPolarHBondContact O-CB 3.27Å; E467-W471 PolarHBondContact O-N 3.32Å
468E97.9Very high97.3Very high93 Ų93105.6 Ų105.644%0.43550%0.499SS..Hα-helixtrans-64.2-43.5177.7-164.8-169.6111.300112R464 V465 W471 K472R464-E468 PolarHBondContact O-N 3.17Å; V465-E468 PolarHBondContact O-N 3.47Å; E468-W471 PolarHBondContact O-N 3.5Å; E468-K472 HydrophobicContact CG-CD 4.39Å; E468-K472 WeakPolarHBondContact O-CB 3.41Å; E468-K472 WeakPolarHBondContact O-CG 3.43Å; E468-K472 PolarHBondContact O-N 3.08Å; E468-K472 WeakPolarHBondContact OE1-CE 3.44Å; E468-K472 IonicContact OE1-NZ 2.73Å; E468-K472 PolarHBondContact OE1-NZ 2.99Å
469L97.7Very high97.3Very high102 Ų102107.2 Ų107.253%0.53451%0.505SS..Hα-helixtrans-66.7-37.9175.8-71.1174.4000112V465 K472 L473V465-L469 HydrophobicContact CG1-CD1 3.78Å; V465-L469 HydrophobicContact CG1-CG 4.29Å; V465-L469 VanDerWaalsContact O-CB 3.31Å; V465-L469 WeakPolarHBondContact O-CB 3.47Å; V465-L469 VanDerWaalsContact O-CG 3.24Å; V465-L469 WeakPolarHBondContact O-CG 3.31Å; V465-L469 PolarHBondContact O-N 2.94Å; L469-K472 PolarHBondContact O-N 3.23Å; L469-L473 VanDerWaalsContact O-CB 3.26Å; L469-L473 WeakPolarHBondContact O-CB 3.43Å; L469-L473 PolarHBondContact O-N 2.87Å
470T97.5Very high97.4Very high86 Ų86105.4 Ų105.453%0.52850%0.498SS..Hα-helixtrans-64.8-42.1175.3-60.90000110.9I466 E467 H474I466-T470 WeakPolarHBondContact O-CB 3.2Å; I466-T470 PolarHBondContact O-N 3.01Å; I466-T470 PolarHBondContact O-OG1 2.85Å; E467-T470 PolarHBondContact O-N 2.99Å; T470-H474 WeakPolarHBondContact O-CB 3.42Å; T470-H474 PolarHBondContact O-N 3.38Å
471W98.4Very high97.4Very high161 Ų161106.7 Ų106.761%0.6150%0.499SS*.Hα-helixtrans-64.5-45.7174.9-176.492000111.9E467 E468 H474 Q475E467-W471 WeakPolarHBondContact O-CB 3.27Å; E467-W471 PolarHBondContact O-N 3.32Å; E468-W471 PolarHBondContact O-N 3.5Å; W471-H474 PolarHBondContact O-N 2.75Å; W471-Q475 HydrophobicContact CD2-CG 3.99Å; W471-Q475 VanDerWaalsContact CE2-NE2 3.29Å; W471-Q475 HydrophobicContact CE3-CG 3.83Å; W471-Q475 HydrophobicContact CH2-CG 3.64Å; W471-Q475 HydrophobicContact CZ2-CG 3.81Å; W471-Q475 HydrophobicContact CZ3-CG 3.65Å; W471-Q475 WeakPolarHBondContact O-CG 3.28Å; W471-Q475 PolarHBondContact O-N 3.19Å
472K98.1Very high97.4Very high105 Ų105105.8 Ų105.846%0.45750%0.495SS..Hα-helixtrans-60.2-46.7176.2-78.7172.9171.5171.10111.9E468 L469 H474 Q475 E476E468-K472 HydrophobicContact CG-CD 4.39Å; E468-K472 WeakPolarHBondContact O-CB 3.41Å; E468-K472 WeakPolarHBondContact O-CG 3.43Å; E468-K472 PolarHBondContact O-N 3.08Å; E468-K472 WeakPolarHBondContact OE1-CE 3.44Å; E468-K472 IonicContact OE1-NZ 2.73Å; E468-K472 PolarHBondContact OE1-NZ 2.99Å; L469-K472 PolarHBondContact O-N 3.23Å; K472-H474 VanDerWaalsContact C-N 3.28Å; K472-H474 PolarHBondContact O-N 3.47Å; K472-Q475 WeakPolarHBondContact O-CB 3.46Å; K472-Q475 PolarHBondContact O-N 3.49Å; K472-Q475 VanDerWaalsContact O-N 3.09Å; K472-E476 PolarHBondContact O-N 2.88Å
473L98.1Very high97.3Very high113 Ų113105.4 Ų105.459%0.59250%0.497SS*.Hα-helixtrans-59.1-39.3174.8-179.863.4000111.6L469 E476 Q477L469-L473 VanDerWaalsContact O-CB 3.26Å; L469-L473 WeakPolarHBondContact O-CB 3.43Å; L469-L473 PolarHBondContact O-N 2.87Å; L473-E476 PolarHBondContact O-N 3.22Å; L473-Q477 VanDerWaalsContact O-CB 3.29Å; L473-Q477 WeakPolarHBondContact O-CB 3.07Å; L473-Q477 PolarHBondContact O-N 2.93Å
474H97.4Very high97.2Very high113 Ų113107.5 Ų107.552%0.52351%0.505SS..Hα-helixtrans-69-34.4175.3-16392.2000112.5T470 W471 K472 R478T470-H474 WeakPolarHBondContact O-CB 3.42Å; T470-H474 PolarHBondContact O-N 3.38Å; W471-H474 PolarHBondContact O-N 2.75Å; K472-H474 VanDerWaalsContact C-N 3.28Å; K472-H474 PolarHBondContact O-N 3.47Å; H474-R478 WeakPolarHBondContact O-CG 3.37Å; H474-R478 PolarHBondContact O-N 2.66Å; H474-R478 VanDerWaalsContact O-N 3.13Å
475Q97.6Very high97.1Very high43 Ų43105.6 Ų105.620%0.20150%0.504CS..Hα-helixtrans-64.7-47.9171.3-61-42-48.600111.8W471 K472 Q477 R478 Q479W471-Q475 HydrophobicContact CD2-CG 3.99Å; W471-Q475 VanDerWaalsContact CE2-NE2 3.29Å; W471-Q475 HydrophobicContact CE3-CG 3.83Å; W471-Q475 HydrophobicContact CH2-CG 3.64Å; W471-Q475 HydrophobicContact CZ2-CG 3.81Å; W471-Q475 HydrophobicContact CZ3-CG 3.65Å; W471-Q475 WeakPolarHBondContact O-CG 3.28Å; W471-Q475 PolarHBondContact O-N 3.19Å; K472-Q475 WeakPolarHBondContact O-CB 3.46Å; K472-Q475 PolarHBondContact O-N 3.49Å; K472-Q475 VanDerWaalsContact O-N 3.09Å; Q475-Q477 VanDerWaalsContact C-N 3.32Å; Q475-Q477 PolarHBondContact O-N 3.24Å; Q475-R478 PolarHBondContact O-N 3.47Å; Q475-Q479 PolarHBondContact O-N 2.75Å
476E96.3Very high96.9Very high122 Ų122106.7 Ų106.757%0.5751%0.505SS*.Hα-helixtrans-60-43.3177.1-169.5-176.4116.700110.9K472 L473 R478 Q479 V480K472-E476 PolarHBondContact O-N 2.88Å; L473-E476 PolarHBondContact O-N 3.22Å; E476-R478 VanDerWaalsContact C-N 3.29Å; E476-R478 PolarHBondContact O-N 2.93Å; E476-Q479 PolarHBondContact O-N 3.3Å; E476-Q479 VanDerWaalsContact O-N 3.08Å; E476-V480 WeakPolarHBondContact O-CG2 3.43Å; E476-V480 PolarHBondContact O-N 3.36Å
477Q97.2Very high96.5Very high118 Ų118108.2 Ų108.255%0.55151%0.513SS*.Hα-helixtrans-61.2-36.8177.9-173.858.194.900112.4L473 Q475 E481L473-Q477 VanDerWaalsContact O-CB 3.29Å; L473-Q477 WeakPolarHBondContact O-CB 3.07Å; L473-Q477 PolarHBondContact O-N 2.93Å; Q475-Q477 VanDerWaalsContact C-N 3.32Å; Q475-Q477 PolarHBondContact O-N 3.24Å; Q477-E481 PolarHBondContact O-N 3.01Å
478R97.1Very high96.2Very high141 Ų141107 Ų10753%0.53251%0.507SS..Hα-helixtrans-70.1-38.6171.9-68.7-163.6-55169.93.2112.7H474 Q475 E476 V480 E481 E482H474-R478 WeakPolarHBondContact O-CG 3.37Å; H474-R478 PolarHBondContact O-N 2.66Å; H474-R478 VanDerWaalsContact O-N 3.13Å; Q475-R478 PolarHBondContact O-N 3.47Å; E476-R478 VanDerWaalsContact C-N 3.29Å; E476-R478 PolarHBondContact O-N 2.93Å; R478-V480 VanDerWaalsContact C-N 3.35Å; R478-E481 PolarHBondContact O-N 3.21Å; R478-E482 WeakPolarHBondContact O-CB 3.24Å; R478-E482 PolarHBondContact O-N 3.01Å
479Q96.7Very high95.6Very high128 Ų128110 Ų11060%0.59852%0.519SS*.Hα-helixtrans-62.9-41.4173.8-70.9-174.63.500111.8Q475 E476 E481 E482 L483Q475-Q479 PolarHBondContact O-N 2.75Å; E476-Q479 PolarHBondContact O-N 3.3Å; E476-Q479 VanDerWaalsContact O-N 3.08Å; Q479-E481 VanDerWaalsContact C-N 3.32Å; Q479-E481 PolarHBondContact O-N 3.06Å; Q479-E482 PolarHBondContact O-N 3.16Å; Q479-L483 WeakPolarHBondContact O-CB 3.32Å; Q479-L483 VanDerWaalsContact O-CG 3.27Å; Q479-L483 WeakPolarHBondContact O-CG 3.38Å; Q479-L483 PolarHBondContact O-N 2.87Å
480V96.8Very high94.9Very high73 Ų73112.5 Ų112.544%0.44252%0.521SS..Hα-helixtrans-64-36.8174.6171.50000111.3E476 R478 K484E476-V480 WeakPolarHBondContact O-CG2 3.43Å; E476-V480 PolarHBondContact O-N 3.36Å; R478-V480 VanDerWaalsContact C-N 3.35Å; V480-K484 WeakPolarHBondContact O-CB 3.43Å; V480-K484 PolarHBondContact O-N 2.77Å
481E95.9Very high94.3Very high115 Ų115115.9 Ų115.954%0.53753%0.528SS..Hα-helixtrans-69-43.9174.6-178.8149.5-119.100112.9Q477 R478 Q479 K484 M485Q477-E481 PolarHBondContact O-N 3.01Å; R478-E481 PolarHBondContact O-N 3.21Å; Q479-E481 VanDerWaalsContact C-N 3.32Å; Q479-E481 PolarHBondContact O-N 3.06Å; E481-K484 WeakPolarHBondContact O-CB 3.48Å; E481-K484 PolarHBondContact O-N 3.24Å; E481-M485 PolarHBondContact O-N 2.84Å
482E95.8Very high93Very high82 Ų82116.4 Ų116.438%0.38353%0.53SS..Hα-helixtrans-61.1-48.7174.2176.354.5-13900111R478 Q479 K484 M485 Q486R478-E482 WeakPolarHBondContact O-CB 3.24Å; R478-E482 PolarHBondContact O-N 3.01Å; Q479-E482 PolarHBondContact O-N 3.16Å; E482-K484 VanDerWaalsContact C-N 3.31Å; E482-K484 PolarHBondContact O-N 2.88Å; E482-M485 CarbonylContact O-C 3.6Å; E482-M485 WeakPolarHBondContact O-CA 3.37Å; E482-M485 WeakPolarHBondContact O-CB 3.44Å; E482-M485 PolarHBondContact O-N 2.74Å; E482-M485 WeakPolarHBondContact OE2-CE 3.04Å; E482-Q486 WeakPolarHBondContact O-CG 3.42Å; E482-Q486 PolarHBondContact O-N 3.42Å; E482-Q486 VanDerWaalsContact OE1-CG 3.28Å; E482-Q486 WeakPolarHBondContact OE1-CG 3.29Å; E482-Q486 PolarHBondContact OE1-NE2 2.79Å
483L96.2Very high91.4Very high104 Ų104114.9 Ų114.955%0.54553%0.533SS..Hα-helixtrans-62.1-36.8176.1-72.2170.5000112.4Q479 Q486 L487Q479-L483 WeakPolarHBondContact O-CB 3.32Å; Q479-L483 VanDerWaalsContact O-CG 3.27Å; Q479-L483 WeakPolarHBondContact O-CG 3.38Å; Q479-L483 PolarHBondContact O-N 2.87Å; L483-Q486 PolarHBondContact O-N 2.8Å; L483-L487 VanDerWaalsContact O-CB 3.26Å; L483-L487 WeakPolarHBondContact O-CB 3.09Å; L483-L487 PolarHBondContact O-N 2.77Å
484K95.8Very high89.4Confident137 Ų137117.2 Ų117.260%0.59654%0.538SS*.Hα-helixtrans-65.4-38.8172.1171.1-171.1167.9-156.90111.5V480 E481 E482 H488V480-K484 WeakPolarHBondContact O-CB 3.43Å; V480-K484 PolarHBondContact O-N 2.77Å; E481-K484 WeakPolarHBondContact O-CB 3.48Å; E481-K484 PolarHBondContact O-N 3.24Å; E482-K484 VanDerWaalsContact C-N 3.31Å; E482-K484 PolarHBondContact O-N 2.88Å; K484-H488 WeakPolarHBondContact O-CB 3.19Å; K484-H488 PolarHBondContact O-N 3.41Å
485M94.9Very high87.4Confident111 Ų111115 Ų11555%0.54755%0.547SS..Hα-helixtrans-66.3-44.9172.7-179173.758.600111.3E481 E482 H488 K489E481-M485 PolarHBondContact O-N 2.84Å; E482-M485 CarbonylContact O-C 3.6Å; E482-M485 WeakPolarHBondContact O-CA 3.37Å; E482-M485 WeakPolarHBondContact O-CB 3.44Å; E482-M485 PolarHBondContact O-N 2.74Å; E482-M485 WeakPolarHBondContact OE2-CE 3.04Å; M485-H488 PolarHBondContact O-N 3.24Å; M485-K489 VanDerWaalsContact O-CB 3.31Å; M485-K489 WeakPolarHBondContact O-CB 3.49Å; M485-K489 PolarHBondContact O-N 3.31Å
486Q92.9Very high85Confident90 Ų90116.8 Ų116.842%0.42157%0.568SS.*Hα-helixtrans-62.6-44.4176.6-69.2-179.222.500112E482 L483 H488 K489 R490E482-Q486 WeakPolarHBondContact O-CG 3.42Å; E482-Q486 PolarHBondContact O-N 3.42Å; E482-Q486 VanDerWaalsContact OE1-CG 3.28Å; E482-Q486 WeakPolarHBondContact OE1-CG 3.29Å; E482-Q486 PolarHBondContact OE1-NE2 2.79Å; L483-Q486 PolarHBondContact O-N 2.8Å; Q486-H488 VanDerWaalsContact C-N 3.33Å; Q486-H488 PolarHBondContact O-N 2.95Å; Q486-K489 PolarHBondContact O-N 2.98Å; Q486-R490 VanDerWaalsContact O-CB 3.25Å; Q486-R490 WeakPolarHBondContact O-CB 3.24Å; Q486-R490 PolarHBondContact O-N 3.49Å
487L91.4Very high82.6Confident122 Ų122116.7 Ų116.764%0.63958%0.576SS**Hα-helixtrans-60.9-42.1173.8-179.963.2000111.3L483 K491L483-L487 VanDerWaalsContact O-CB 3.26Å; L483-L487 WeakPolarHBondContact O-CB 3.09Å; L483-L487 PolarHBondContact O-N 2.77Å; L487-K491 WeakPolarHBondContact O-CB 3.31Å; L487-K491 PolarHBondContact O-N 3.1Å
488H89.9Confident80.2Confident88 Ų88120 Ų12041%0.40759%0.592SS.*Hα-helixtrans-68.6-40.6177.5-171.5116.3000112.1K484 M485 Q486 K491 R492K484-H488 WeakPolarHBondContact O-CB 3.19Å; K484-H488 PolarHBondContact O-N 3.41Å; M485-H488 PolarHBondContact O-N 3.24Å; Q486-H488 VanDerWaalsContact C-N 3.33Å; Q486-H488 PolarHBondContact O-N 2.95Å; H488-K491 PolarHBondContact O-N 2.87Å; H488-R492 PolarHBondContact CD2-NE 3.17Å; H488-R492 PolarHBondContact CD2-NH2 3.08Å; H488-R492 PolarHBondContact NE2-NE 3.03Å; H488-R492 PolarHBondContact NE2-NH2 3.11Å; H488-R492 PolarHBondContact O-N 3.08Å
489K86.2Confident77.6Confident157 Ų157121.2 Ų121.268%0.68361%0.609SS**Hα-helixtrans-60.5-48.6173.7-176.1177.6-179.71790110.4M485 Q486 K491 R492 S493M485-K489 VanDerWaalsContact O-CB 3.31Å; M485-K489 WeakPolarHBondContact O-CB 3.49Å; M485-K489 PolarHBondContact O-N 3.31Å; Q486-K489 PolarHBondContact O-N 2.98Å; K489-K491 VanDerWaalsContact C-N 3.33Å; K489-K491 PolarHBondContact O-N 3.48Å; K489-R492 PolarHBondContact O-N 2.78Å; K489-R492 VanDerWaalsContact O-N 3.12Å; K489-S493 PolarHBondContact O-N 3.17Å; K489-S493 PolarHBondContact O-OG 2.74Å
490R83.4Confident74.9Confident153 Ų153119.8 Ų119.858%0.57762%0.619SS**Hα-helixtrans-59.4-40173.8179171-86.2142.2-5.3112.2Q486 R492 S493 F494Q486-R490 VanDerWaalsContact O-CB 3.25Å; Q486-R490 WeakPolarHBondContact O-CB 3.24Å; Q486-R490 PolarHBondContact O-N 3.49Å; R490-R492 VanDerWaalsContact C-N 3.32Å; R490-R492 PolarHBondContact O-N 2.76Å; R490-S493 WeakPolarHBondContact CA-OG 3.42Å; R490-S493 PolarHBondContact O-N 3.21Å; R490-S493 PolarHBondContact O-OG 3.45Å; R490-F494 HydrophobicContact CG-CD2 3.67Å; R490-F494 HydrophobicContact CG-CE2 3.49Å; R490-F494 VanDerWaalsContact CG-CE2 3.49Å; R490-F494 VanDerWaalsContact O-CD2 3.29Å; R490-F494 WeakPolarHBondContact O-CD2 3.36Å; R490-F494 PolarHBondContact O-N 3.43Å; R490-F494 VanDerWaalsContact O-N 3.12Å
491K83.6Confident72.1Confident158 Ų158124.1 Ų124.169%0.68764%0.638SS**Hα-helixtrans-67-29.4175.9-158.9-174.272.3164.40113L487 H488 K489L487-K491 WeakPolarHBondContact O-CB 3.31Å; L487-K491 PolarHBondContact O-N 3.1Å; H488-K491 PolarHBondContact O-N 2.87Å; K489-K491 VanDerWaalsContact C-N 3.33Å; K489-K491 PolarHBondContact O-N 3.48Å
492R71.9Confident69.5Low172 Ų172124.1 Ų124.165%0.64965%0.648SS**Hα-helixtrans-76.7-40.7171.1-65.6-167.4-140.3138.61.4112.2H488 K489 R490 F494 G495H488-R492 PolarHBondContact CD2-NE 3.17Å; H488-R492 PolarHBondContact CD2-NH2 3.08Å; H488-R492 PolarHBondContact NE2-NE 3.03Å; H488-R492 PolarHBondContact NE2-NH2 3.11Å; H488-R492 PolarHBondContact O-N 3.08Å; K489-R492 PolarHBondContact O-N 2.78Å; K489-R492 VanDerWaalsContact O-N 3.12Å; R490-R492 VanDerWaalsContact C-N 3.32Å; R490-R492 PolarHBondContact O-N 2.76Å; R492-F494 VanDerWaalsContact C-N 3.32Å; R492-F494 PolarHBondContact O-N 3.29Å; R492-G495 PolarHBondContact O-N 3.45Å; R492-G495 VanDerWaalsContact O-N 3.13Å
493S64.9Low66.9Low73 Ų73126.1 Ų126.151%0.5167%0.668SS.*Hα-helixtrans-68.3-28-178.261.60000113.8K489 R490 G495K489-S493 PolarHBondContact O-N 3.17Å; K489-S493 PolarHBondContact O-OG 2.74Å; R490-S493 WeakPolarHBondContact CA-OG 3.42Å; R490-S493 PolarHBondContact O-N 3.21Å; R490-S493 PolarHBondContact O-OG 3.45Å; S493-G495 VanDerWaalsContact C-N 3.28Å; S493-G495 PolarHBondContact O-N 3.15Å
494F55.1Low63.7Low161 Ų161129.2 Ų129.271%0.70668%0.684SS**THydrogen-bonded Turntrans-79.1-3.5172.9-78.8-58.2000114.5R490 R492R490-F494 HydrophobicContact CG-CD2 3.67Å; R490-F494 HydrophobicContact CG-CE2 3.49Å; R490-F494 VanDerWaalsContact CG-CE2 3.49Å; R490-F494 VanDerWaalsContact O-CD2 3.29Å; R490-F494 WeakPolarHBondContact O-CD2 3.36Å; R490-F494 PolarHBondContact O-N 3.43Å; R490-F494 VanDerWaalsContact O-N 3.12Å; R492-F494 VanDerWaalsContact C-N 3.32Å; R492-F494 PolarHBondContact O-N 3.29Å
495G54.8Low61.1Low68 Ų68128.1 Ų128.170%0.70169%0.691SS**THydrogen-bonded Turntrans-103.318.4179.400000114.5R492 S493R492-G495 PolarHBondContact O-N 3.45Å; R492-G495 VanDerWaalsContact O-N 3.13Å; S493-G495 VanDerWaalsContact C-N 3.28Å; S493-G495 PolarHBondContact O-N 3.15Å
496A47.5Very low58.2Low79 Ų79131.6 Ų131.665%0.65371%0.706SS**SBendtrans-133.321.3-167.600000114.1
497T47.5Very low55.1Low120 Ų120133.4 Ų133.474%0.73673%0.728SS**SBendtrans-126.917.4-178.356.80000114.1
498E45.2Very low52.2Low188 Ų188133.1 Ų133.188%0.87974%0.737SS**SBendtrans-138.372.7167.2-74.8-162.7137.800110.4
499D43.7Very low49.5Very low167 Ų167137.4 Ų137.489%0.89376%0.759SS**  trans178.7104141.2-113.7-32.8000110.9
500A39.8Very low46.8Very low98 Ų98137.1 Ų137.181%0.8176%0.764SS**  trans-166.145.9177.300000116.2
501I37.7Very low44.5Very low164 Ų164137 Ų13784%0.84177%0.77SS**  trans-134.3125.1165.4-57.3-177.6000110.1
502P41.5Very low42.1Very low115 Ų115136.4 Ų136.475%0.74777%0.77SS**  trans-88.3156-17535.1-36000113.9
503P40.1Very low40.3Very low123 Ų123134.9 Ų134.980%0.79977%0.77SS**  trans-88.6149.5178.534.8-34.8000113.9
504L29.6Very low38.8Very low169 Ų169139.2 Ų139.289%0.88578%0.782SS**  trans-131.6157.5163.4-84.2170.7000109.8
505P42Very low37.5Very low115 Ų115136.1 Ų136.175%0.74779%0.786SS**  trans-89.1168.9-147.333.8-38.2000117.3
506H32.8Very low36.4Very low183 Ų183139.1 Ų139.185%0.84779%0.791SS**  trans-48.3155.2-178.6-59.6-99.1000117
507S28.3Very low36.4Very low128 Ų128140.5 Ų140.590%0.89579%0.793SS**  trans-146.2148.1147.3-780000110.3
508S30Very low35.6Very low117 Ų117142.6 Ų142.682%0.81880%0.797SS**  trans-92.4160.3-173.5-53.20000112.8
509M33.3Very low35Very low177 Ų177142.2 Ų142.287%0.87280%0.797SS**  -167.6162.1128.2-103.3-52.1172.100114.1
510L30.1Very low34.4Very low152 Ų152138 Ų13880%0.79679%0.794SS**  trans-66.5155.2179.5-76.4118.2000115.4
511H35.8Very low34Very low149 Ų149141.4 Ų141.469%0.6979%0.793SS**  169.2121.9116-132.139.2000109.2
512Q32.7Very low33.6Very low147 Ų147141.1 Ų141.169%0.68779%0.788SS**  67.9136.188.3-165.1179.9106.900114.8
513Q34.4Very low33Very low139 Ų139145.1 Ų145.165%0.6579%0.793SS**  cis-173.3151.3-23.2169.6171.9-30.500110.2
514Q32.5Very low32.8Very low164 Ų164146.9 Ų146.977%0.76680%0.795SS**  trans68.5138.6157.8-87.1164.5-23.400123.8
515A29.3Very low32.9Very low96 Ų96142.6 Ų142.679%0.79379%0.792SS**  trans88.4113.1133.300000122.8
516T30.3Very low32.4Very low132 Ų132143.5 Ų143.581%0.8180%0.795SS**  trans-63.4178.5151.940.10000114.2
517P48.8Very low32.6Very low108 Ų108141.5 Ų141.570%0.70180%0.796SS**  cis-139.6-175.4-15.429.4-6000116.6
518M29.9Very low32.8Very low164 Ų164142.7 Ų142.781%0.80879%0.79SS**  trans87.2142.5144.3-72.4-12771.300123.6
519M32.2Very low32.9Very low179 Ų179145.6 Ų145.688%0.88279%0.788SS**  trans68.2142.4161.1-67.4-143.3-63.600121.1
520G31.6Very low32.7Very low80 Ų80144.7 Ų144.783%0.82578%0.782SS**  trans152.3122.1166.800000113.3
521Q31.1Very low32.6Very low168 Ų168145.7 Ų145.779%0.78578%0.783SS**  trans-101.8163.1176.5-85.4-75.737.300112.6
522H30.3Very low32.7Very low159 Ų159144.2 Ų144.274%0.73679%0.786SS**  trans-15.7135.4172.1-52.3-94.1000119.3
523F28.4Very low32.7Very low198 Ų198145.6 Ų145.687%0.86880%0.795SS**  -167.7173.5108.5-131.7-105000113.8
524L35.4Very low32.7Very low161 Ų161144.2 Ų144.284%0.84380%0.8SS**  trans-91.3150.4177.3-74.372.8000112.4
525G31.3Very low32.7Very low78 Ų78144.7 Ų144.780%0.80481%0.807SS**  trans-174.5133.5166.600000112.6
526V32.9Very low32.7Very low134 Ų134145.4 Ų145.481%0.81281%0.806SS**  trans-121.7128.8-173.2172.70000111.8
527T37.1Very low32.8Very low142 Ų142143.7 Ų143.787%0.87180%0.8SS**  trans-143.182.1162.554.60000113.2
528I32.3Very low31.8Very low152 Ų152143.7 Ų143.778%0.77980%0.802SS**  trans18.3123.4138.7-55.1166.3000118.3
529K31.4Very low31.9Very low178 Ų178142 Ų14277%0.77481%0.806SS**  trans-155.2107.4131.1-168.5172.2179.3-173.60114.7
530Q28.5Very low32.1Very low159 Ų159139.5 Ų139.574%0.74380%0.802SS**  trans36.7111.3143.1-57.4167.1-27.400120.7
531E28.7Very low32.1Very low173 Ų173143.5 Ų143.581%0.80880%0.804SS**  -148.8142.1102.5-167.7172.5164.100109.4
532P38.5Very low32Very low118 Ų118140.8 Ų140.877%0.76680%0.804SS**  trans-113.6111.4-174.336.8-25000114.6
533M31.8Very low32Very low176 Ų176138.4 Ų138.487%0.86781%0.805SS**  trans-135.2114156.1-68.9-162.8-175.100111.1
534S34.2Very low32Very low109 Ų109134.8 Ų134.876%0.76280%0.804SS**  trans-75.1158.2164.1-51.80000108.8
535L32.4Very low31.8Very low174 Ų174135.7 Ų135.791%0.91180%0.801SS**  -154.617159.7-83.2166.6000113.4
536S29.2Very low31.7Very low111 Ų111140 Ų14078%0.77680%0.8SS**  trans-76.6-178.6178.5-160.50000113.3
537S32Very low31.6Very low96 Ų96140.2 Ų140.267%0.67180%0.796SS**  trans-57.818017265.70000115.1
538S28.8Very low31.2Very low108 Ų108141.7 Ų141.776%0.75579%0.791SS**  trans101.6134.4157.5-51.30000116.4
539C32.2Very low31.1Very low130 Ų130139.2 Ų139.288%0.87879%0.787SS**  trans-77.5141.3168.2-51.40000110.3
540P36.9Very low31.8Very low125 Ų125136 Ų13681%0.81278%0.784SS**  trans-107.2150.216135.7-28.5000112
541L30.3Very low32.6Very low165 Ų165134.4 Ų134.486%0.86479%0.787SS**  trans-102.1145.7175.2-77.7167.4000112.1
542S29.6Very low32.6Very low111 Ų111129.9 Ų129.978%0.77679%0.787SS**  trans60.5118.5146.5-64.90000122.1
543S29.9Very low32Very low109 Ų109129.6 Ų129.676%0.76279%0.788SS**  trans84.2116.4136.3-147.50000120.3
544S28.3Very low31.9Very low121 Ų121127 Ų12785%0.84679%0.786SS**  trans-137151.9139.7-173.20000108.8
545K32.1Very low31.8Very low180 Ų180129.7 Ų129.778%0.78379%0.788SS**  trans-106139.1-177.3-59.8172.9-177.5173.90109.5
546Q29.4Very low31.8Very low169 Ų169128.1 Ų128.179%0.7978%0.781SS**  trans168142.8130.1-83-97.31000112.5
547L29.9Very low31.8Very low138 Ų138129.4 Ų129.472%0.72378%0.779SS**  trans67.5123.4148.4-74.8162.3000124.2
548K28.1Very low31.7Very low174 Ų174132.7 Ų132.776%0.75779%0.786SS**  trans83.5108.1130.3-162.178.7741630119.3
549S30.8Very low31.8Very low99 Ų99131 Ų13169%0.69279%0.786SS**  trans-99.6-174.8157.2620000110.1
550P46.1Very low31.9Very low110 Ų110130.7 Ų130.771%0.71478%0.783SS**  cis-133-134.9-0.742.2-21000110.5
551P45.8Very low31.4Very low126 Ų126129.9 Ų129.982%0.81878%0.78SS**  -111.7-177.6-57.235.5-20.1000112
552G28Very low31.2Very low78 Ų78129.2 Ų129.280%0.80478%0.777SS**  trans174.3109.9167.300000117.5
553S27.3Very low31.3Very low112 Ų112131.8 Ų131.878%0.78378%0.782SS**  trans-57.8136.3179.149.90000119.3
554C28.9Very low31.8Very low121 Ų121131.7 Ų131.782%0.81878%0.779SS**  -147.2128.6121.750.30000107.2
555M32.5Very low32Very low167 Ų167133.7 Ų133.782%0.82378%0.778SS**  79.3144.753.5-70.4-152.373.900114.4
556D32.8Very low32.5Very low141 Ų141131 Ų13175%0.75478%0.779SS**  trans-90.9168.1-144-50.2-109.6000115.9
557D29.2Very low32.8Very low138 Ų138130 Ų13074%0.73878%0.779SS**  trans105.7145.1130.2-154-147.9000120.9
558M28.8Very low33.2Very low165 Ų165131.6 Ų131.681%0.81379%0.788SS**  trans53.5142.2158.1-140.362.168.900120.7
559G31.3Very low33.4Very low73 Ų73126.8 Ų126.875%0.75379%0.787SS**  trans158.516.8166.300000120.2
560C33.6Very low33.4Very low122 Ų122126.1 Ų126.182%0.82480%0.796SS**  trans-81.6148.9170.5-76.50000112
561C26.7Very low32.9Very low109 Ų109124.6 Ų124.674%0.73680%0.8SS**  trans80.8130163.2-53.80000119.4
562N27Very low33.1Very low151 Ų151125.4 Ų125.481%0.80781%0.806SS**  trans70.9117.7143.9-55.2-16.1000121.3
563N29.8Very low33.2Very low164 Ų164125.7 Ų125.788%0.87781%0.808SS**  -152.7165.2127-110.8-12.3000110.4
564P42.4Very low33.6Very low108 Ų108123.8 Ų123.870%0.70181%0.806SS**  trans-111179.5-142.141.5-38.7000115.8
565I31.3Very low34.7Very low162 Ų162123.8 Ų123.883%0.83181%0.805SS**  trans-115.2129.5160.1-69.4179.8000108.6
566P43.3Very low34.9Very low123 Ų123123.3 Ų123.380%0.79980%0.8SS**  trans-80.8165.9174.534-35.2000112.7
567N36.1Very low35Very low148 Ų148121 Ų12179%0.79179%0.794SS**  trans-119.3135.7-174.8176.720.1000111.2
568L37.3Very low35.1Very low173 Ų173121.6 Ų121.691%0.90680%0.795SS**  trans179.8149.9154.3-122.362.6000108.2
569G31.5Very low35.3Very low73 Ų73120 Ų12075%0.75379%0.789SS**  cis151.1148.6-7.200000111.7
570G31.2Very low35.4Very low85 Ų85123.2 Ų123.288%0.87679%0.794SS**  trans125.8117.5164.700000118.1
571G36.2Very low35.2Very low78 Ų78124.4 Ų124.480%0.80479%0.793SS**  trans-88.9-152.2153.700000110.9
572P49.6Very low36.6Very low143 Ų143124 Ų12493%0.92979%0.788SS**  cis-144.6-168.927.342.4-22.1000116.2
573G31.2Very low37Very low83 Ų83122.1 Ų122.186%0.85679%0.787SS**  trans130.4122.7151.400000118.8
574G34Very low37.1Very low72 Ų72119.3 Ų119.374%0.74278%0.781SS**  trans-143.2-152.1167.500000109.9
575P53.6Low36.4Very low121 Ų121118.3 Ų118.379%0.78678%0.782SS**  cis-117.1-124.4-3.521.95000111.5
576Q35.3Very low36.5Very low157 Ų157116.2 Ų116.273%0.73478%0.781SS**  cis-168.7145.4-1.2-152.4178.8-36.100113.4
577C34.8Very low36.6Very low93 Ų93116.7 Ų116.763%0.62878%0.784SS**  trans51.1176.1152.563.10000121.3
578M32.1Very low36.2Very low151 Ų151113.9 Ų113.974%0.74478%0.782SS**  cis-1391742.7-71-78.110.300113.2
579D33.6Very low36Very low131 Ų131111.9 Ų111.970%0.70178%0.777SS**  trans-73-175.2177-57.9-99.3000116.5
580T33.2Very low35.9Very low140 Ų140115.9 Ų115.986%0.85978%0.778SS**  cis-160.1165.431-32.30000116
581D28.5Very low35.7Very low147 Ų147117.2 Ų117.279%0.78677%0.774SS**  trans-84.4-161.1174.1-132.1-14.7000112.4
582P56Low35.3Very low100 Ų100117.3 Ų117.365%0.64977%0.767SS**  cis-141175.1-4.442.6-23.3000119.2
583S35.5Very low34.3Very low112 Ų112119.5 Ų119.578%0.78376%0.762SS**  trans61.6161.2142.5-77.80000122.8
584S32.7Very low34.2Very low106 Ų106123.3 Ų123.374%0.74176%0.762SS**  cis-170.6175.3-24.764.10000111.8
585A28.3Very low33.9Very low87 Ų87125.2 Ų125.272%0.71976%0.764SS**  trans79.6106.1159.900000122
586S31.7Very low33.6Very low117 Ų117124.9 Ų124.982%0.81876%0.762SS**  37.1143.9110.1-60.70000121.2
587P46.1Very low33.2Very low133 Ų133125.6 Ų125.686%0.86477%0.765SS**  cis-140.6-178.745.541-22.6000117.4
588A28.4Very low32.8Very low89 Ų89126 Ų12674%0.73677%0.768SS**  trans-100167.6-178.700000113.7
589T32.3Very low32.6Very low131 Ų131124.4 Ų124.480%0.80477%0.771SS**  trans-168.8154.3142.29.50000112.5
590M30.3Very low33.7Very low158 Ų158123 Ų12378%0.77877%0.769SS**  trans21.1122.9162.6-51-61.39200119.7
591S26.1Very low33.6Very low113 Ų113123.9 Ų123.979%0.7976%0.764SS**  cis75.7149.844.7-160.30000115.7
592A27.6Very low33.7Very low80 Ų80123.1 Ų123.166%0.66176%0.76SS**  trans83.393168.800000121.3
593F29.1Very low32.6Very low188 Ų188122.7 Ų122.783%0.82576%0.759SS**  75.7131.9118.7-75.9-63.5000125.1
594L30Very low33.3Very low164 Ų164122.4 Ų122.486%0.85976%0.755SS**  trans75.1121.8144.3-64.5170.6000121.6
595S27.3Very low33.1Very low111 Ų111124.3 Ų124.378%0.77676%0.761SS**  trans-70.1165.6159.2-290000111
596P45.8Very low33.3Very low114 Ų114123.9 Ų123.974%0.7477%0.765SS**  -153.3163.263.840.8-20.3000119.5
597Q27.8Very low33.2Very low173 Ų173127.8 Ų127.881%0.80877%0.768SS**  trans64.3132.5144-79.6-167.455.600124.4
598C26.7Very low33.2Very low102 Ų102126.5 Ų126.569%0.68976%0.76SS**  trans69.399.7138.1-630000122.1
599S27.6Very low33.1Very low116 Ų116128.7 Ų128.781%0.81176%0.764SS**  46.4158.2117.4-62.90000123
600P57.6Low32.8Very low102 Ų102127.8 Ų127.866%0.66276%0.763SS**  cis-137.6173.7-28.538.9-23.2000113.9
601Q31Very low32.6Very low158 Ų158125.3 Ų125.374%0.73876%0.761SS**  trans-165.2134.6137-76.3-42.4-77.600105.6
602D29.8Very low32.5Very low131 Ų131124.6 Ų124.670%0.70176%0.756SS**  52.5134.677-88.3-78.8000114.1
603S32.2Very low32.6Very low92 Ų92129.8 Ų129.864%0.64377%0.767SS**  cis176-179.9-8.8-108.90000107.6
604P51.1Low34Very low105 Ų105126.3 Ų126.368%0.68276%0.763SS**  -140.5-166.8-56.743-24.8000112.8
605V29.1Very low34.2Very low146 Ų146124.5 Ų124.589%0.88576%0.761SS**  trans65.2123.7153.1170.20000119.7
606G32.6Very low34.4Very low78 Ų78124.5 Ų124.580%0.80476%0.761SS**  trans-177.684167.300000114.1
607K28.5Very low35.1Very low200 Ų200124.2 Ų124.287%0.8776%0.759SS**  trans-85.6168.2169.5-72.7-177.2-177.6179.80110.2
608P45.6Very low35Very low106 Ų106123.4 Ų123.469%0.68876%0.761SS**  cis-135-148.5-34.636.5-16.2000110.8
609T27.4Very low35Very low135 Ų135123.9 Ų123.983%0.82877%0.765SS**  trans105.6146.7158.470.40000119.1
610S26.1Very low36.3Very low112 Ų112122.8 Ų122.878%0.78376%0.755SS**  trans-82.5155.2179.950.50000113.1
611S25.5Very low35Very low106 Ų106127.7 Ų127.774%0.74176%0.762SS**  169143.2115.9-163.10000113.5
612S24.3Very low35.1Very low98 Ų98127 Ų12769%0.68576%0.763SS**  trans30.1117.6147.4-55.80000123.8
613Q28.7Very low35.2Very low188 Ų188128.3 Ų128.388%0.87977%0.769SS**  trans58.3151.4134.1-74.9-174.2-80.100122.6
614P59.1Low34.9Very low115 Ų115129 Ų12975%0.74777%0.774SS**  trans-89.6170.7-176.438.5-38000113.6
615P34.2Very low34.9Very low126 Ų126129.4 Ų129.482%0.81878%0.776SS**  -145.8159.6119.340.1-27.1000116.2
616S32.3Very low35.2Very low112 Ų112129.5 Ų129.578%0.78377%0.771SS**  trans-74.6-177.1158.1-39.10000110.3
617P58.9Low35.3Very low108 Ų108133.4 Ų133.470%0.70177%0.773SS**  cis-141.4-161.815.344.4-23.9000114.6
618N26.8Very low35.6Very low156 Ų156127 Ų12783%0.83476%0.763SS**  trans-179176.5130-100.3-63.7000114
619S26.7Very low35Very low111 Ų111132.2 Ų132.278%0.77677%0.769SS**  trans-130.4-137.8-162.8480000116.3
620P53.9Low35.3Very low94 Ų94131 Ų13161%0.6176%0.757SS**  -121.7-175.6-123.738-18.2000116.5
621Y31.6Very low35.4Very low205 Ų205129.9 Ų129.980%0.80475%0.75SS**  trans149.8143132-87.6-64.7000119.2
622L33.3Very low35.7Very low144 Ų144131.5 Ų131.575%0.75476%0.759SS**  trans87.4130137.5-78.2167.6000126.5
623L31.3Very low35.7Very low157 Ų157130.2 Ų130.282%0.82276%0.761SS**  trans102159.6140.3-71.5163.8000124.1
624S25.5Very low35.7Very low107 Ų107130.4 Ų130.475%0.74876%0.762SS**  trans-129.2-158.6-161.7-400000111.2
625P51.5Low35.1Very low114 Ų114129.9 Ų129.974%0.7476%0.758SS**  cis-134.1-143.6-5.933.8-6.5000112.3
626L35Very low34.8Very low147 Ų147135.5 Ų135.577%0.7776%0.763SS**  cis-166.1175.1-0.4-154.960.3000111.7
627L35.1Very low34.5Very low161 Ų161133.7 Ų133.784%0.84376%0.762SS**  trans69.7142.7169.9-84.490.5000120
628G34.3Very low33.1Very low64 Ų64137.9 Ų137.966%0.6677%0.773SS**  cis160149.3-16.200000117.4
629R34.4Very low33.2Very low216 Ų216133.7 Ų133.782%0.81577%0.766SS**  trans75.8144.8168.7-55.3-159.569.7-172.3-6.4117.1
630D33.3Very low33.3Very low109 Ų109140 Ų14058%0.58377%0.773SS**  cis-167.2169.8-2.9-113.347.9000106.6
631S28.5Very low32.1Very low90 Ų90138.7 Ų138.763%0.62978%0.777SS**  cis-171.9168.7-14.2-102.40000110.5
632C30.3Very low32.1Very low139 Ų139137 Ų13794%0.93978%0.776SS**  trans71.6121.2163-63.20000122
633G24.9Very low31.8Very low71 Ų71137.2 Ų137.273%0.73278%0.778SS**  trans159.5108.6160.200000118
634H29.3Very low31.5Very low192 Ų192137.6 Ų137.689%0.88978%0.778SS**  trans-155.1169.6170.9-102.140.2000107.2
635P45.5Very low31.7Very low104 Ų104141.3 Ų141.368%0.67578%0.783SS**  cis-149.1-18021.944.1-23.8000119.1
636R28.1Very low30.8Very low244 Ų244140.8 Ų140.892%0.92178%0.777SS**  trans62.2138.8136.9-88.8175.8154.9-121.4-1125.1
637G27.3Very low30.4Very low74 Ų74140.3 Ų140.376%0.76377%0.771SS**  trans121.4120.6140.800000114.3
638Q28.9Very low30.2Very low196 Ų196140.4 Ų140.492%0.91677%0.767SS**  cis101.6106.423.1-169.9-176.6100.700115.4
639G28.9Very low29.9Very low68 Ų68146.7 Ų146.770%0.70177%0.771SS**  trans158.5131163.100000110.1
640R28.6Very low29.4Very low243 Ų243142.1 Ų142.192%0.91777%0.767SS**  cis91.7130.736.3-86-163.2174.4-89.54115.1
641G28.9Very low29.2Very low67 Ų67140 Ų14069%0.69177%0.771SS**  trans106.5116.6169.700000111.9
642H30.1Very low29.2Very low171 Ų171141.1 Ų141.179%0.79278%0.779SS**  cis6691.725-57.5-59.2000117.2
643N27.2Very low29.1Very low148 Ų148143.1 Ų143.179%0.79178%0.775SS**  -168.6129.4118.5-109.6-111.9000107.4
644M26.3Very low30Very low165 Ų165144.2 Ų144.281%0.81377%0.769SS**  62.2113.960.2-68.8-81.1-17200113.7
645Q30.1Very low29.9Very low185 Ų185142.3 Ų142.386%0.86476%0.764SS**  trans175.3129.5153.5-169.310899.800107.3
646V31.1Very low28.8Very low102 Ų102143.9 Ų143.962%0.61877%0.767SS**  cis-151.1126.7-12.2131.60000104.7
647Q26.9Very low28.6Very low138 Ų138137.4 Ų137.465%0.64576%0.758SS**  6996.970.2167.669.2110.900113.6
648Q30.2Very low28.5Very low163 Ų163139.4 Ų139.476%0.76276%0.76SS**  trans138152.5151.2-80.9169111.700114.5
649R28.4Very low28.3Very low196 Ų196139.9 Ų139.974%0.7476%0.755SS**  cis-168.5168.1-31.9-125.7-169.6-169.6-150.65.3109.5
650T24.1Very low28.8Very low120 Ų120142.2 Ų142.274%0.73676%0.758SS**  trans-0.1136.2153550000119.3
651G29.8Very low28.9Very low64 Ų64134.3 Ų134.366%0.6674%0.74SS**  cis158.1-1431.500000113.9
652S28.6Very low28.9Very low114 Ų114136.7 Ų136.780%0.79774%0.737SS**  trans57.3103.2163.852.70000120.1
653Q28.6Very low28.8Very low181 Ų181134.4 Ų134.485%0.84673%0.726SS**  26.4156.9112.1-68.4-157.830.200121
654P43.6Very low28.9Very low94 Ų94137.5 Ų137.561%0.6173%0.727SS**  cis-142.3-167.5-28.536.4-15.2000114
655L26.3Very low29Very low151 Ų151134.2 Ų134.279%0.79172%0.72SS**  trans83.9137156.8-62.4164.2000122.6
656N23.6Very low29Very low137 Ų137132.6 Ų132.673%0.73372%0.717SS**  trans68.7127.9144.6-82.81.9000125
657C22.7Very low28.8Very low109 Ų109136.5 Ų136.574%0.73673%0.728SS**  trans58.5142.6138.2-51.20000119.5
658S24.6Very low28.6Very low116 Ų116134.6 Ų134.681%0.81174%0.736SS**  cis-161.9174.538.2-72.50000113.9
659Y25.5Very low28.3Very low206 Ų206131.1 Ų131.181%0.80874%0.735SS**  trans-60.6161.1157.3-98.9-101.6000112.4
660P39.4Very low28.5Very low116 Ų116131.3 Ų131.375%0.75374%0.742SS**  -134176.858.341.2-22.5000114.3
661S29.7Very low29.4Very low78 Ų78131.1 Ų131.155%0.54574%0.742SS.*  cis65.2148.438-84.20000113.3
662D29Very low29.1Very low116 Ų116133.1 Ų133.162%0.6275%0.746SS**  cis-162.8177.9-13.7-128.9-63.2000111.3
663Q29.5Very low29.2Very low123 Ų123132.9 Ų132.958%0.57575%0.745SS**  trans5.4162.7152.2-71.5157.56500124.1
664R29.2Very low30.2Very low214 Ų214129.5 Ų129.581%0.80874%0.738SS**  trans80.6160.9142.4-97.2-179.3-107.6-143.4-3.2117.5
665S27.7Very low29.6Very low95 Ų95131.5 Ų131.566%0.66474%0.744SS**  cis-149.1170.3-0-148.10000114.7
666L30.3Very low29.7Very low152 Ų152130.3 Ų130.380%0.79675%0.747SS**  trans-47.7175.3172.3-57.9161.9000118.7
667Q26.1Very low29.8Very low183 Ų183127.6 Ų127.686%0.85575%0.751SS**  trans94.6124.3165.6-55.1-172.38.700114.5
668A24Very low30.4Very low99 Ų99130 Ų13082%0.81876%0.756SS**  cis82.8144.149.500000112.4
669A24.4Very low30.5Very low89 Ų89131.4 Ų131.474%0.73675%0.754SS**  cis-151.5-175.611.100000114
670F30.9Very low30.7Very low201 Ų201129 Ų12988%0.88275%0.75SS**  trans-31.2166.1163.5-61.2-70.1000118.4
671P43.7Very low30.2Very low115 Ų115129.2 Ų129.275%0.74776%0.755SS**  cis-134.3-166.427.536.4-12.2000114.5
672S24.7Very low30.2Very low106 Ų106128.8 Ų128.874%0.74176%0.763SS**  cis-156.4167.917.1-28.60000115.6
673S29.6Very low30.9Very low110 Ų110128.9 Ų128.977%0.76977%0.769SS**  trans-14.2170.7148.1-71.80000123.5
674P49.5Very low31.1Very low109 Ų109130.2 Ų130.271%0.70878%0.779SS**  cis-131.1170.7-1.526-3000117.3
675D30.2Very low31.1Very low137 Ų137129.5 Ų129.573%0.73378%0.782SS**  trans17.1123.2146.6-65.8-78.5000121.8
676C28.8Very low31.2Very low125 Ų125129.1 Ų129.185%0.84578%0.784SS**  83.1120.668.5-68.20000114.6
677G27.1Very low30.9Very low80 Ų80130.2 Ų130.283%0.82579%0.785SS**  trans174.1119170.300000114.1
678L34Very low30.9Very low160 Ų160126.4 Ų126.484%0.83878%0.779SS**  trans-78.6156.2171.2-60.493.3000110.9
679N28.3Very low31.3Very low145 Ų145129.7 Ų129.778%0.77578%0.777SS**  trans-166.4178.5130.3-114-63.4000116.6
680H28.8Very low31.3Very low156 Ų156131.2 Ų131.272%0.72277%0.773SS**  trans-99.6178.2-176.6-68-113.4000113.3
681S27.9Very low31.3Very low121 Ų121129.1 Ų129.185%0.84677%0.768SS**  trans62.8151.6170.549.50000117.2
682G31Very low30.6Very low69 Ų69131.6 Ų131.671%0.71177%0.769SS**  cis108.497-6.900000116
683P44.4Very low31.4Very low117 Ų117131.7 Ų131.776%0.7677%0.767SS**  trans-132.6170.516034-16.9000112.6
684I33.6Very low31.4Very low152 Ų152134 Ų13478%0.77976%0.764SS**  cis-165.2126.8-19.8-103.7163.3000103.6
685K28.5Very low30.3Very low199 Ų199135.9 Ų135.987%0.86577%0.765SS**  65.1151.479.5-156.3-165.1174.9-1680114.5
686A29.7Very low30.2Very low87 Ų87134.9 Ų134.972%0.71977%0.769SS**  trans93.3140.7176.700000114.7
687E24.2Very low30.1Very low175 Ų175132.8 Ų132.882%0.81876%0.76SS**  cis-151.2172-8.3-162.2143.597.400112.8
688S26.4Very low30.2Very low103 Ų103137 Ų13772%0.7276%0.763SS**  trans-60.8174173.3-51.10000114.6
689Q30.8Very low30.8Very low167 Ų167135.1 Ų135.178%0.7876%0.76SS**  trans178.642.2-172.3-40.4176.182.800118.8
690N25.7Very low30.6Very low121 Ų121133.6 Ų133.665%0.64776%0.761SS**  trans73.9164.1143-135.9-18.3000123.1
691M30.8Very low30.6Very low158 Ų158132.1 Ų132.178%0.77877%0.768SS**  trans69.686.1163-59.6-55.8175.700122.4
692Q28.7Very low30.6Very low166 Ų166137.3 Ų137.378%0.77677%0.769SS**  trans-49.5169.1132.3-88.5-98.3-26.500112.3
693P41.8Very low30.7Very low108 Ų108142.2 Ų142.270%0.70177%0.773SS**  cis-147176.730.237.6-15.1000119.1
694K28.3Very low30.1Very low158 Ų158142.7 Ų142.769%0.68777%0.774SS**  141.4124.7107.2-163.4166-176.1178.80117.2
695M27.4Very low29.9Very low150 Ų150139 Ų13974%0.73977%0.774SS**  trans68.1133.5162.6-71173.9-31.900116.7
696S28.4Very low30.2Very low116 Ų116138.5 Ų138.581%0.81177%0.774SS**  cis94.314138-65.80000113.1
697A26.7Very low30.2Very low80 Ų80143.7 Ų143.766%0.66178%0.781SS**  cis-173.5145.7-16.300000111.5
698L29.6Very low30.1Very low168 Ų168141.5 Ų141.588%0.8878%0.783SS**  trans61.9176153-66.8169.6000117.6
699P45.4Very low30.1Very low122 Ų122144.8 Ų144.879%0.79279%0.787SS**  cis-124178.4-8.526.4-3.8000115.5
700S24.9Very low29.9Very low113 Ų113142.7 Ų142.779%0.7979%0.785SS**  trans-77.6156.5175.591.50000114.3
701S27.8Very low29.9Very low124 Ų124142.5 Ų142.587%0.86779%0.794SS**  trans-156.6158.2133.4-156.60000115
702R29.4Very low30.1Very low230 Ų230140.3 Ų140.387%0.86879%0.791SS**  trans-85.4137.7-159.9-82.7-178.5175.1-162.9-1.2116.9
703H32.1Very low30.8Very low172 Ų172137.5 Ų137.580%0.79679%0.787SS**  90.5127.5120.9-154.2-109000122.6
704V31.8Very low30.1Very low128 Ų128137.2 Ų137.278%0.77679%0.794SS**  trans66.1118.2160.1167.90000119.5
705G29.6Very low30Very low75 Ų75139 Ų13977%0.77380%0.802SS**  trans167.7131.7168.300000111
706Q33.8Very low30Very low187 Ų187137.1 Ų137.187%0.87480%0.804SS**  trans-77.8163.6-174.3-66.8179-12.300114.1
707K30.3Very low29.9Very low197 Ų197136.9 Ų136.986%0.85780%0.802SS**  trans64.4117.4168.4-64.7-176.3173.7-175.20117.3
708C23Very low30.2Very low128 Ų128138.4 Ų138.487%0.86581%0.808SS**  -170.5-175.3112-115.80000113.4
709Q24.8Very low30.2Very low172 Ų172138.5 Ų138.580%0.80481%0.81SS**  trans-70.3151-170.5-68.1164.4-66.900115.9
710V27.5Very low29.6Very low124 Ų124138.6 Ų138.675%0.75281%0.813SS**  trans49.1121.3134.5179.40000119.8
711S25.6Very low30.2Very low117 Ų117140.6 Ų140.682%0.81882%0.815SS**  -154.7146.8126.2-80.70000111.5
712P36.3Very low30.7Very low112 Ų112139.2 Ų139.273%0.72781%0.811SS**  trans-100.5-165.9-177.644.7-39.6000111
713P42.5Very low31.1Very low106 Ų106133.5 Ų133.569%0.68881%0.806SS**  cis-126.1162.2-11.337.6-22.7000114.9
714A26.7Very low31.4Very low103 Ų103132.5 Ų132.585%0.85181%0.807SS**  trans-146.8136.8154.800000109.3
715F27.1Very low32.1Very low194 Ų194134 Ų13485%0.85181%0.81SS**  trans-99.5137.9-175.2-72-99.6000112.1
716S26.3Very low33.2Very low111 Ų111141.3 Ų141.378%0.77681%0.814SS**  trans-169.9128.5145-81.80000111.1
717S27.7Very low33.8Very low112 Ų112140.7 Ų140.778%0.78381%0.811SS**  trans55.2151.9158.953.70000120.6
718S32.2Very low35.2Very low112 Ų112136.3 Ų136.378%0.78380%0.802SS**  cis176.798.7-34.9-102.50000106.2
719D28.5Very low37.5Very low170 Ų170134.3 Ų134.391%0.90979%0.788SS**  trans-105.5147166.3-83.7-66.2000110.1
720S34Very low40Very low123 Ų123129.3 Ų129.386%0.8677%0.771SS**  trans-113.5110.3-176.2-56.40000109.4
721D36.8Very low42.3Very low155 Ų155132.1 Ų132.183%0.82977%0.77SS**  trans-128.4110.1167.4-161.9-8.9000110.5
722A38.7Very low45.3Very low96 Ų96131.8 Ų131.879%0.79376%0.755SS**  trans-169.153.9177.600000109.6
723S36.9Very low47.6Very low109 Ų109130 Ų13076%0.76274%0.739SS**  trans-150.237.7-179.9-76.40000115.6L725S723-L725 PolarHBondContact O-N 3.46Å
724D38.6Very low49.7Very low151 Ų151127 Ų12781%0.80772%0.723SS**  trans-72.984161.2-172.71000111R726D724-R726 PolarHBondContact OD1-N 3.3Å; D724-R726 VanDerWaalsContact OD1-N 3.11Å
725L46.8Very low52.4Low160 Ų160124.5 Ų124.584%0.83870%0.698SS**  trans-11074.7160.2-84.9174000110.3S723 Q727S723-L725 PolarHBondContact O-N 3.46Å; L725-Q727 PolarHBondContact O-N 3.16Å
726R53.9Low55.3Low229 Ų229120.8 Ų120.886%0.86468%0.681SS**  trans62.137.3148.9-90.9-74.6-179.4-171.2-3.7115.5D724D724-R726 PolarHBondContact OD1-N 3.3Å; D724-R726 VanDerWaalsContact OD1-N 3.11Å
727Q46.2Very low58.1Low174 Ų174121.5 Ų121.581%0.81367%0.672SS**PPolyproline II helixtrans-71.1135.7166.2-159.2163.2-2.300109.6L725L725-Q727 PolarHBondContact O-N 3.16Å
728P58.3Low60.7Low104 Ų104123.1 Ų123.168%0.67567%0.668SS**PPolyproline II helixtrans-65.5154.7170.428.5-34.8000110.3
729P72.4Confident62.9Low86 Ų86124.2 Ų124.256%0.55866%0.662SS**PPolyproline II helixtrans-51.3145.7174.4-25.834.3000111.6
730C76.9Confident65.6Low67 Ų67120.9 Ų120.945%0.45365%0.648SS.*PPolyproline II helixtrans-63156.3176.991.80000110.2E732 D733 A734C730-E732 PolarHBondContact O-N 2.87Å; C730-D733 PolarHBondContact O-N 3.43Å; C730-D733 VanDerWaalsContact O-N 3.08Å; C730-D733 VanDerWaalsContact SG-CG 3.55Å; C730-D733 PolarHBondContact SG-OD2 3.31Å; C730-A734 PolarHBondContact O-N 3.08Å
731Y76.6Confident67.9Low184 Ų184123.3 Ų123.372%0.72264%0.638SS**Hα-helixtrans-54.2-40.5-177.2176.6-99.1000112.1D733 A734 V735Y731-D733 PolarHBondContact O-N 2.89Å; Y731-A734 PolarHBondContact O-N 2.97Å; Y731-V735 HydrophobicContact CD1-CG2 4.22Å; Y731-V735 HydrophobicContact CD2-CG2 4.29Å; Y731-V735 HydrophobicContact CE1-CG2 3.81Å; Y731-V735 HydrophobicContact CE2-CG2 3.89Å; Y731-V735 HydrophobicContact CG-CG2 4.45Å; Y731-V735 WeakPolarHBondContact O-CB 3.26Å; Y731-V735 VanDerWaalsContact O-CG2 3.3Å; Y731-V735 WeakPolarHBondContact O-CG2 3.47Å; Y731-V735 PolarHBondContact O-N 2.84Å
732E87.1Confident70.3Confident110 Ų110118.9 Ų118.951%0.51462%0.619SS.*Hα-helixtrans-60.6-43.5178.8-142.565.9-168.500112.4C730 V735 K736C730-E732 PolarHBondContact O-N 2.87Å; E732-V735 PolarHBondContact O-N 3.06Å; E732-K736 WeakPolarHBondContact O-CB 3.41Å; E732-K736 WeakPolarHBondContact O-CD 3.29Å; E732-K736 WeakPolarHBondContact O-CG 3.42Å; E732-K736 PolarHBondContact O-N 3.47Å
733D85.1Confident72.7Confident73 Ų73120.2 Ų120.239%0.3961%0.609SS.*Hα-helixtrans-77.9-32.4-179.3-58.4-38.1000111.9C730 Y731 K736 Q737C730-D733 PolarHBondContact O-N 3.43Å; C730-D733 VanDerWaalsContact O-N 3.08Å; C730-D733 VanDerWaalsContact SG-CG 3.55Å; C730-D733 PolarHBondContact SG-OD2 3.31Å; Y731-D733 PolarHBondContact O-N 2.89Å; D733-K736 IonicContact OD1-NZ 3.61Å; D733-Q737 VanDerWaalsContact O-CB 3.32Å; D733-Q737 WeakPolarHBondContact O-CB 3.35Å; D733-Q737 VanDerWaalsContact O-CG 3.31Å; D733-Q737 WeakPolarHBondContact O-CG 3.42Å; D733-Q737 PolarHBondContact O-N 3.25Å
734A86.6Confident75.2Confident43 Ų43121.3 Ų121.336%0.35560%0.602SS.*Hα-helixtrans-64.7-41170.900000111.5C730 Y731 Q738C730-A734 PolarHBondContact O-N 3.08Å; Y731-A734 PolarHBondContact O-N 2.97Å; A734-Q738 VanDerWaalsContact O-CB 3.31Å; A734-Q738 WeakPolarHBondContact O-CB 3.42Å; A734-Q738 PolarHBondContact O-N 2.82Å
735V84.7Confident77.7Confident52 Ų52118.5 Ų118.532%0.31559%0.585SS.*Hα-helixtrans-68.6-43175169.60000111.2Y731 E732 Q738 M739Y731-V735 HydrophobicContact CD1-CG2 4.22Å; Y731-V735 HydrophobicContact CD2-CG2 4.29Å; Y731-V735 HydrophobicContact CE1-CG2 3.81Å; Y731-V735 HydrophobicContact CE2-CG2 3.89Å; Y731-V735 HydrophobicContact CG-CG2 4.45Å; Y731-V735 WeakPolarHBondContact O-CB 3.26Å; Y731-V735 VanDerWaalsContact O-CG2 3.3Å; Y731-V735 WeakPolarHBondContact O-CG2 3.47Å; Y731-V735 PolarHBondContact O-N 2.84Å; E732-V735 PolarHBondContact O-N 3.06Å; V735-Q738 CarbonylContact O-C 3.46Å; V735-Q738 PolarHBondContact O-N 2.94Å; V735-M739 PolarHBondContact O-N 2.83Å
736K86.9Confident79.8Confident115 Ų115113.1 Ų113.150%0.556%0.557SS.*Hα-helixtrans-61-48.7174-72.9163.8-169.7162.40111.7E732 D733 Q738 M739 T740E732-K736 WeakPolarHBondContact O-CB 3.41Å; E732-K736 WeakPolarHBondContact O-CD 3.29Å; E732-K736 WeakPolarHBondContact O-CG 3.42Å; E732-K736 PolarHBondContact O-N 3.47Å; D733-K736 IonicContact OD1-NZ 3.61Å; K736-Q738 VanDerWaalsContact C-N 3.27Å; K736-Q738 PolarHBondContact O-N 3.4Å; K736-M739 PolarHBondContact O-N 2.98Å; K736-M739 VanDerWaalsContact O-N 3.12Å; K736-T740 PolarHBondContact O-N 2.87Å; K736-T740 PolarHBondContact O-OG1 3.44Å
737Q85.4Confident81.7Confident127 Ų127107.7 Ų107.759%0.59354%0.541SS*.Hα-helixtrans-59.4-37.6173.7-75.8-176.933.300111.9D733 R741D733-Q737 VanDerWaalsContact O-CB 3.32Å; D733-Q737 WeakPolarHBondContact O-CB 3.35Å; D733-Q737 VanDerWaalsContact O-CG 3.31Å; D733-Q737 WeakPolarHBondContact O-CG 3.42Å; D733-Q737 PolarHBondContact O-N 3.25Å; Q737-R741 WeakPolarHBondContact O-CB 3.47Å; Q737-R741 PolarHBondContact O-N 2.95Å
738Q82.3Confident83.9Confident146 Ų146103.6 Ų103.668%0.68253%0.525SS*.Hα-helixtrans-67-38.3175.1-172.4174.2-68.200112.2A734 V735 K736 S742A734-Q738 VanDerWaalsContact O-CB 3.31Å; A734-Q738 WeakPolarHBondContact O-CB 3.42Å; A734-Q738 PolarHBondContact O-N 2.82Å; V735-Q738 CarbonylContact O-C 3.46Å; V735-Q738 PolarHBondContact O-N 2.94Å; K736-Q738 VanDerWaalsContact C-N 3.27Å; K736-Q738 PolarHBondContact O-N 3.4Å; Q738-S742 WeakPolarHBondContact O-CB 3.21Å; Q738-S742 PolarHBondContact O-N 2.89Å
739M78.9Confident85.3Confident135 Ų135101.1 Ų101.167%0.66551%0.506SS*.Hα-helixtrans-65.8-52.4174-83.6-171149.500111.7V735 K736 R741 S742 Q743V735-M739 PolarHBondContact O-N 2.83Å; K736-M739 PolarHBondContact O-N 2.98Å; K736-M739 VanDerWaalsContact O-N 3.12Å; M739-R741 VanDerWaalsContact C-N 3.27Å; M739-R741 PolarHBondContact O-N 2.88Å; M739-S742 WeakPolarHBondContact O-CB 3.38Å; M739-S742 PolarHBondContact O-N 3.02Å; M739-Q743 WeakPolarHBondContact O-CB 3.46Å; M739-Q743 PolarHBondContact O-N 3.25Å
740T84.3Confident86.2Confident99 Ų99100.4 Ų100.461%0.60750%0.497SS*.Hα-helixtrans-59.7-38177.2-51.40000111.7K736 Q743 Q744K736-T740 PolarHBondContact O-N 2.87Å; K736-T740 PolarHBondContact O-OG1 3.44Å; T740-Q743 PolarHBondContact O-N 2.89Å; T740-Q744 WeakPolarHBondContact O-CB 3.23Å; T740-Q744 PolarHBondContact O-N 2.95Å
741R83.4Confident87Confident175 Ų175101.4 Ų101.466%0.6650%0.501SS*.Hα-helixtrans-72.6-28.9175.1-175.2171.8176.2-94.8-7.7113.3Q737 M739 M745Q737-R741 WeakPolarHBondContact O-CB 3.47Å; Q737-R741 PolarHBondContact O-N 2.95Å; M739-R741 VanDerWaalsContact C-N 3.27Å; M739-R741 PolarHBondContact O-N 2.88Å; R741-M745 VanDerWaalsContact O-CG 3.28Å; R741-M745 WeakPolarHBondContact O-CG 3.4Å; R741-M745 PolarHBondContact O-N 3.39Å
742S85.4Confident87.7Confident61 Ų6194.8 Ų94.843%0.42748%0.478SS..Hα-helixtrans-67.3-50.9168.1-1630000109.3Q738 M739 Q744 M745 D746Q738-S742 WeakPolarHBondContact O-CB 3.21Å; Q738-S742 PolarHBondContact O-N 2.89Å; M739-S742 WeakPolarHBondContact O-CB 3.38Å; M739-S742 PolarHBondContact O-N 3.02Å; S742-Q744 VanDerWaalsContact C-N 3.3Å; S742-Q744 PolarHBondContact O-N 3.3Å; S742-M745 CarbonylContact O-C 3.56Å; S742-M745 WeakPolarHBondContact O-CA 3.21Å; S742-M745 WeakPolarHBondContact O-CB 3.47Å; S742-M745 PolarHBondContact O-N 2.9Å; S742-D746 VanDerWaalsContact C-OD2 3.29Å; S742-D746 WeakPolarHBondContact O-CB 3.35Å; S742-D746 PolarHBondContact O-N 3.09Å; S742-D746 PolarHBondContact OG-OD2 3.37Å
743Q89.7Confident87.9Confident125 Ų12591.3 Ų91.358%0.58446%0.462SS*.Hα-helixtrans-53-45.7179.4-160.6118.951.900111.9M739 T740 M745 D746 E747M739-Q743 WeakPolarHBondContact O-CB 3.46Å; M739-Q743 PolarHBondContact O-N 3.25Å; T740-Q743 PolarHBondContact O-N 2.89Å; Q743-M745 PolarHBondContact O-N 2.86Å; Q743-D746 WeakPolarHBondContact O-CB 3.44Å; Q743-D746 PolarHBondContact O-N 2.93Å; Q743-E747 WeakPolarHBondContact O-CB 3.44Å; Q743-E747 VanDerWaalsContact O-CG 3.31Å; Q743-E747 WeakPolarHBondContact O-CG 3.48Å; Q743-E747 PolarHBondContact O-N 3.41Å
744Q89.4Confident88.1Confident132 Ų13296 Ų9662%0.61748%0.482SS*.Hα-helixtrans-63.9-35.1174.2-169.9-175.621.100113.6T740 S742 L748T740-Q744 WeakPolarHBondContact O-CB 3.23Å; T740-Q744 PolarHBondContact O-N 2.95Å; S742-Q744 VanDerWaalsContact C-N 3.3Å; S742-Q744 PolarHBondContact O-N 3.3Å; Q744-L748 WeakPolarHBondContact O-CB 3.3Å; Q744-L748 PolarHBondContact O-N 3.13Å; Q744-L748 VanDerWaalsContact O-N 3.11Å
745M91.8Very high88Confident91 Ų9197.5 Ų97.545%0.44849%0.49SS..Hα-helixtrans-73.8-32.4174-76-63.9-40.600112.2R741 S742 Q743 L748 L749R741-M745 VanDerWaalsContact O-CG 3.28Å; R741-M745 WeakPolarHBondContact O-CG 3.4Å; R741-M745 PolarHBondContact O-N 3.39Å; S742-M745 CarbonylContact O-C 3.56Å; S742-M745 WeakPolarHBondContact O-CA 3.21Å; S742-M745 WeakPolarHBondContact O-CB 3.47Å; S742-M745 PolarHBondContact O-N 2.9Å; Q743-M745 PolarHBondContact O-N 2.86Å; M745-L748 HydrophobicContact CE-CD2 4.33Å; M745-L748 HydrophobicContact SD-CD2 4.48Å; M745-L749 WeakPolarHBondContact O-CB 3.43Å; M745-L749 WeakPolarHBondContact O-CD1 3.42Å; M745-L749 VanDerWaalsContact O-CG 3.26Å; M745-L749 WeakPolarHBondContact O-CG 3.47Å; M745-L749 PolarHBondContact O-N 3.19Å
746D90.8Very high87.7Confident48 Ų4898 Ų9826%0.25751%0.505SS..Hα-helixtrans-70.2-46.1176-78-62.3000110.3S742 Q743 L748 L749 D750 R763S742-D746 VanDerWaalsContact C-OD2 3.29Å; S742-D746 WeakPolarHBondContact O-CB 3.35Å; S742-D746 PolarHBondContact O-N 3.09Å; S742-D746 PolarHBondContact OG-OD2 3.37Å; Q743-D746 WeakPolarHBondContact O-CB 3.44Å; Q743-D746 PolarHBondContact O-N 2.93Å; D746-L748 VanDerWaalsContact C-N 3.32Å; D746-L748 PolarHBondContact O-N 2.98Å; D746-L749 WeakPolarHBondContact O-CB 3.38Å; D746-L749 PolarHBondContact O-N 3.46Å; D746-L749 VanDerWaalsContact O-N 3.13Å; D746-D750 PolarHBondContact O-N 2.92Å; D746-R763 PolarHBondContact O-NH2 2.85Å; D746-R763 IonicContact OD1-CZ 3.34Å; D746-R763 IonicContact OD1-NH1 2.76Å; D746-R763 PolarHBondContact OD1-NH1 3.44Å; D746-R763 IonicContact OD1-NH2 3.1Å; D746-R763 PolarHBondContact OD1-NH2 3.01Å
747E93.1Very high87.6Confident114 Ų11499.7 Ų99.753%0.53352%0.515SS..Hα-helixtrans-57.1-43.3169.9-72.9162.2-159.600111.8Q743 L749 D750 V751Q743-E747 WeakPolarHBondContact O-CB 3.44Å; Q743-E747 VanDerWaalsContact O-CG 3.31Å; Q743-E747 WeakPolarHBondContact O-CG 3.48Å; Q743-E747 PolarHBondContact O-N 3.41Å; E747-L749 VanDerWaalsContact C-N 3.35Å; E747-L749 PolarHBondContact O-N 3.19Å; E747-D750 PolarHBondContact O-N 2.76Å; E747-V751 WeakPolarHBondContact O-CG2 3.26Å; E747-V751 PolarHBondContact O-N 3.36Å
748L92.8Very high87.2Confident89 Ų8997 Ų9747%0.46650%0.503SS..Hα-helixtrans-65.1-37.1175.7-178.662.5000112.4Q744 M745 D746 L752Q744-L748 WeakPolarHBondContact O-CB 3.3Å; Q744-L748 PolarHBondContact O-N 3.13Å; Q744-L748 VanDerWaalsContact O-N 3.11Å; M745-L748 HydrophobicContact CE-CD2 4.33Å; M745-L748 HydrophobicContact SD-CD2 4.48Å; D746-L748 VanDerWaalsContact C-N 3.32Å; D746-L748 PolarHBondContact O-N 2.98Å; L748-L752 HydrophobicContact CG-CD1 4.28Å; L748-L752 WeakPolarHBondContact O-CB 3.49Å; L748-L752 WeakPolarHBondContact O-CD1 3.42Å; L748-L752 VanDerWaalsContact O-CG 3.23Å; L748-L752 WeakPolarHBondContact O-CG 3.48Å; L748-L752 PolarHBondContact O-N 2.9Å
749L88.1Confident87Confident52 Ų5293.9 Ų93.927%0.27250%0.496SS..Hα-helixtrans-65.5-41.1173.7-78.7162.1000111.4M745 D746 E747 L752 I753M745-L749 WeakPolarHBondContact O-CB 3.43Å; M745-L749 WeakPolarHBondContact O-CD1 3.42Å; M745-L749 VanDerWaalsContact O-CG 3.26Å; M745-L749 WeakPolarHBondContact O-CG 3.47Å; M745-L749 PolarHBondContact O-N 3.19Å; D746-L749 WeakPolarHBondContact O-CB 3.38Å; D746-L749 PolarHBondContact O-N 3.46Å; D746-L749 VanDerWaalsContact O-N 3.13Å; E747-L749 VanDerWaalsContact C-N 3.35Å; E747-L749 PolarHBondContact O-N 3.19Å; L749-L752 PolarHBondContact O-N 2.61Å; L749-I753 VanDerWaalsContact O-CG1 3.28Å; L749-I753 WeakPolarHBondContact O-CG1 3.26Å; L749-I753 PolarHBondContact O-N 2.85Å
750D91.4Very high86.6Confident71 Ų7191.1 Ų91.138%0.3849%0.494SS..Hα-helixtrans-70.4-37.9179.1-65.5-35.1000111.8D746 E747 L752 I753 E754 R763D746-D750 PolarHBondContact O-N 2.92Å; E747-D750 PolarHBondContact O-N 2.76Å; D750-L752 VanDerWaalsContact C-N 3.32Å; D750-L752 PolarHBondContact O-N 3.17Å; D750-I753 PolarHBondContact O-N 2.67Å; D750-I753 VanDerWaalsContact O-N 3.13Å; D750-E754 WeakPolarHBondContact O-CB 3.42Å; D750-E754 PolarHBondContact O-N 2.93Å; D750-R763 IonicContact OD1-CZ 3.57Å; D750-R763 IonicContact OD1-NE 2.77Å; D750-R763 PolarHBondContact OD1-NE 2.85Å; D750-R763 IonicContact OD1-NH2 3.66Å; D750-R763 PolarHBondContact OD1-NH2 3.48Å; D750-R763 VanDerWaalsContact OD1-NH2 3.1Å; D750-R763 IonicContact OD2-CZ 3.87Å; D750-R763 IonicContact OD2-NE 3.27Å; D750-R763 IonicContact OD2-NH2 3.46Å; D750-R763 PolarHBondContact OD2-NH2 2.95Å
751V94.1Very high86.3Confident88 Ų8891.1 Ų91.153%0.53349%0.49SS..Hα-helixtrans-62.1-37.7170.21690000111.9E747 I753 S755E747-V751 WeakPolarHBondContact O-CG2 3.26Å; E747-V751 PolarHBondContact O-N 3.36Å; V751-I753 VanDerWaalsContact C-N 3.32Å; V751-S755 VanDerWaalsContact O-CB 3.3Å; V751-S755 WeakPolarHBondContact O-CB 3.48Å; V751-S755 PolarHBondContact O-N 3.44Å; V751-S755 PolarHBondContact O-OG 3.36Å
752L90.4Very high85.5Confident44 Ų4484.5 Ų84.523%0.2347%0.473CS..Hα-helixtrans-71.3-25.4174.5-72.5165.7000112.9L748 L749 D750 S755 E757 M758L748-L752 HydrophobicContact CG-CD1 4.28Å; L748-L752 WeakPolarHBondContact O-CB 3.49Å; L748-L752 WeakPolarHBondContact O-CD1 3.42Å; L748-L752 VanDerWaalsContact O-CG 3.23Å; L748-L752 WeakPolarHBondContact O-CG 3.48Å; L748-L752 PolarHBondContact O-N 2.9Å; L749-L752 PolarHBondContact O-N 2.61Å; D750-L752 VanDerWaalsContact C-N 3.32Å; D750-L752 PolarHBondContact O-N 3.17Å; L752-S755 PolarHBondContact O-OG 3.49Å; L752-E757 HydrophobicContact CD2-CB 4.06Å; L752-E757 HydrophobicContact CD2-CG 4.19Å; L752-E757 WeakPolarHBondContact CD2-OE2 3.45Å; L752-E757 PolarHBondContact O-N 2.9Å; L752-M758 HydrophobicContact CB-CB 4.27Å; L752-M758 HydrophobicContact CB-CG 3.97Å; L752-M758 PolarHBondContact O-N 2.88Å
753I91.7Very high84.4Confident38 Ų3885.5 Ų85.520%0.19547%0.467CS..Hα-helixtrans-78.6-41.8173.2-70.6163.4000110.6L749 D750 V751 G756 M758 A760 R763L749-I753 VanDerWaalsContact O-CG1 3.28Å; L749-I753 WeakPolarHBondContact O-CG1 3.26Å; L749-I753 PolarHBondContact O-N 2.85Å; D750-I753 PolarHBondContact O-N 2.67Å; D750-I753 VanDerWaalsContact O-N 3.13Å; V751-I753 VanDerWaalsContact C-N 3.32Å; I753-G756 PolarHBondContact O-N 3.18Å; I753-G756 VanDerWaalsContact O-N 3.16Å; I753-M758 WeakPolarHBondContact CA-O 3.5Å; I753-M758 HydrophobicContact CG1-CB 4.03Å; I753-A760 HydrophobicContact CG2-CB 3.75Å; I753-R763 HydrophobicContact CD1-CG 4.35Å
754E87.9Confident83.1Confident172 Ų17284.2 Ų84.280%0.80446%0.461SS*.Hα-helixtrans-67.6-37176.8-173.2173.3-167.500112.2D750 G756D750-E754 WeakPolarHBondContact O-CB 3.42Å; D750-E754 PolarHBondContact O-N 2.93Å; E754-G756 PolarHBondContact O-N 3.31Å
755S84.8Confident81.4Confident74 Ų7484.6 Ų84.652%0.51746%0.463SS..THydrogen-bonded Turntrans-68.9-14.8172.5760000113.7V751 L752 E757V751-S755 VanDerWaalsContact O-CB 3.3Å; V751-S755 WeakPolarHBondContact O-CB 3.48Å; V751-S755 PolarHBondContact O-N 3.44Å; V751-S755 PolarHBondContact O-OG 3.36Å; L752-S755 PolarHBondContact O-OG 3.49Å; S755-E757 VanDerWaalsContact C-N 3.3Å; S755-E757 WeakPolarHBondContact OG-CB 3.46Å; S755-E757 PolarHBondContact OG-N 2.95Å
756G79.9Confident79.8Confident62 Ų6289.6 Ų89.664%0.63948%0.477SS*.THydrogen-bonded Turntrans7611.4-174.800000114.7I753 E754I753-G756 PolarHBondContact O-N 3.18Å; I753-G756 VanDerWaalsContact O-N 3.16Å; E754-G756 PolarHBondContact O-N 3.31Å
757E84.4Confident77.8Confident151 Ų15194 Ų9471%0.70650%0.496SS*.SBendtrans-75-28.1175.1-169.4168.7174.600112.1L752 S755L752-E757 HydrophobicContact CD2-CB 4.06Å; L752-E757 HydrophobicContact CD2-CG 4.19Å; L752-E757 WeakPolarHBondContact CD2-OE2 3.45Å; L752-E757 PolarHBondContact O-N 2.9Å; S755-E757 VanDerWaalsContact C-N 3.3Å; S755-E757 WeakPolarHBondContact OG-CB 3.46Å; S755-E757 PolarHBondContact OG-N 2.95Å
758M76.4Confident75.7Confident71 Ų7196.7 Ų96.735%0.3550%0.501SS..SBendtrans-119.7134.5171.9-71.7-109.654.500110.9L752 I753 A762L752-M758 HydrophobicContact CB-CB 4.27Å; L752-M758 HydrophobicContact CB-CG 3.97Å; L752-M758 PolarHBondContact O-N 2.88Å; I753-M758 WeakPolarHBondContact CA-O 3.5Å; I753-M758 HydrophobicContact CG1-CB 4.03Å; M758-A762 HydrophobicContact CE-CB 4.21Å
759P77.9Confident73.4Confident80 Ų8096.6 Ų96.652%0.51951%0.508SS..  trans-71.1140.617431-36.7000111.3N761 A762P759-N761 WeakPolarHBondContact CB-OD1 3.3Å; P759-N761 PolarHBondContact O-N 3.15Å; P759-A762 VanDerWaalsContact O-CB 3.31Å; P759-A762 WeakPolarHBondContact O-CB 3.47Å; P759-A762 PolarHBondContact O-N 3.33Å
760A71.1Confident71.1Confident76 Ų7698.3 Ų98.363%0.62852%0.524SS*.THydrogen-bonded Turntrans-60.4-13.5-171.800000115.9I753 A762I753-A760 HydrophobicContact CG2-CB 3.75Å; A760-A762 VanDerWaalsContact C-N 3.3Å
761N77Confident68.6Low100 Ų100100.8 Ų100.854%0.53554%0.542SS..THydrogen-bonded Turntrans-80.3-6.2174.367.6-39.4000113.9P759 R763 E764P759-N761 WeakPolarHBondContact CB-OD1 3.3Å; P759-N761 PolarHBondContact O-N 3.15Å; N761-R763 PolarHBondContact O-N 3.41Å; N761-E764 PolarHBondContact O-N 3.49Å; N761-E764 VanDerWaalsContact O-N 3.14Å
762A67.6Low65.8Low35 Ų35102 Ų10229%0.28955%0.549SS..Hα-helixtrans-61.7-24.1-179.100000114M758 P759 A760M758-A762 HydrophobicContact CE-CB 4.21Å; P759-A762 VanDerWaalsContact O-CB 3.31Å; P759-A762 WeakPolarHBondContact O-CB 3.47Å; P759-A762 PolarHBondContact O-N 3.33Å; A760-A762 VanDerWaalsContact C-N 3.3Å
763R61.1Low63.1Low82 Ų82108.7 Ų108.731%0.30958%0.58SS.*Hα-helixtrans-70.9-44.3171.7-76.4-172.1169.8-76.86.9112.7D746 D750 I753 N761 E765 R766D746-R763 PolarHBondContact O-NH2 2.85Å; D746-R763 IonicContact OD1-CZ 3.34Å; D746-R763 IonicContact OD1-NH1 2.76Å; D746-R763 PolarHBondContact OD1-NH1 3.44Å; D746-R763 IonicContact OD1-NH2 3.1Å; D746-R763 PolarHBondContact OD1-NH2 3.01Å; D750-R763 IonicContact OD1-CZ 3.57Å; D750-R763 IonicContact OD1-NE 2.77Å; D750-R763 PolarHBondContact OD1-NE 2.85Å; D750-R763 IonicContact OD1-NH2 3.66Å; D750-R763 PolarHBondContact OD1-NH2 3.48Å; D750-R763 VanDerWaalsContact OD1-NH2 3.1Å; D750-R763 IonicContact OD2-CZ 3.87Å; D750-R763 IonicContact OD2-NE 3.27Å; D750-R763 IonicContact OD2-NH2 3.46Å; D750-R763 PolarHBondContact OD2-NH2 2.95Å; I753-R763 HydrophobicContact CD1-CG 4.35Å; N761-R763 PolarHBondContact O-N 3.41Å; R763-E765 VanDerWaalsContact C-N 3.3Å; R763-E765 PolarHBondContact O-N 3.26Å; R763-R766 PolarHBondContact O-N 2.89Å
764E62.4Low60.2Low99 Ų99113 Ų11346%0.46361%0.607SS.*Hα-helixtrans-62-33.3-176-80.4-155.1111.100113.6N761 R766 E767 R768N761-E764 PolarHBondContact O-N 3.49Å; N761-E764 VanDerWaalsContact O-N 3.14Å; E764-R766 VanDerWaalsContact C-N 3.27Å; E764-R766 PolarHBondContact O-N 3.32Å; E764-E767 PolarHBondContact O-N 3.35Å; E764-R768 WeakPolarHBondContact O-CG 3.43Å; E764-R768 PolarHBondContact O-N 2.86Å; E764-R768 VanDerWaalsContact O-N 3.12Å; E764-R768 IonicContact OE1-CZ 3.88Å; E764-R768 IonicContact OE1-NE 3.93Å; E764-R768 IonicContact OE1-NH2 2.64Å; E764-R768 PolarHBondContact OE1-NH2 3.37Å; E764-R768 IonicContact OE2-CZ 3.92Å; E764-R768 IonicContact OE2-NH2 2.84Å; E764-R768 PolarHBondContact OE2-NH2 3.16Å
765E55.7Low57.5Low140 Ų140109.5 Ų109.565%0.65460%0.598SS**Hα-helixtrans-65.3-32.9-179.4-170.5171.8-17000111.8R763 S769R763-E765 VanDerWaalsContact C-N 3.3Å; R763-E765 PolarHBondContact O-N 3.26Å; E765-S769 VanDerWaalsContact O-CB 3.3Å; E765-S769 WeakPolarHBondContact O-CB 3.42Å; E765-S769 PolarHBondContact O-N 3.29Å; E765-S769 VanDerWaalsContact O-N 3.16Å; E765-S769 PolarHBondContact O-OG 3.32Å
766R57.3Low55.2Low196 Ų196111.8 Ų111.874%0.7461%0.61SS**Hα-helixtrans-67.6-42.2176.9174.4170.1-75.2-134.7-3.9112.2R763 E764 S769 S770R763-R766 PolarHBondContact O-N 2.89Å; E764-R766 VanDerWaalsContact C-N 3.27Å; E764-R766 PolarHBondContact O-N 3.32Å; R766-S769 PolarHBondContact O-N 2.96Å; R766-S770 PolarHBondContact O-N 2.77Å
767E48.9Very low52.8Low139 Ų139116.8 Ų116.865%0.6562%0.617SS**Hα-helixtrans-71.1-35.9-179.8-64.9-177172.600112.1E764 S769 S770E764-E767 PolarHBondContact O-N 3.35Å; E767-S769 VanDerWaalsContact C-N 3.25Å; E767-S769 PolarHBondContact O-N 2.9Å; E767-S770 PolarHBondContact O-OG 2.87Å; E767-S770 VanDerWaalsContact O-OG 3.06Å
768R48.8Very low50.7Low172 Ų172117.5 Ų117.565%0.64962%0.624SS**Hα-helixtrans-71.8-19.6174.1-65.2175.6-170.8168.96.4113.2E764E764-R768 WeakPolarHBondContact O-CG 3.43Å; E764-R768 PolarHBondContact O-N 2.86Å; E764-R768 VanDerWaalsContact O-N 3.12Å; E764-R768 IonicContact OE1-CZ 3.88Å; E764-R768 IonicContact OE1-NE 3.93Å; E764-R768 IonicContact OE1-NH2 2.64Å; E764-R768 PolarHBondContact OE1-NH2 3.37Å; E764-R768 IonicContact OE2-CZ 3.92Å; E764-R768 IonicContact OE2-NH2 2.84Å; E764-R768 PolarHBondContact OE2-NH2 3.16Å
769S44Very low48.3Very low87 Ų87120.8 Ų120.861%0.60865%0.648SS**Hα-helixtrans-92.1-10.6-179.7-600000114.7E765 R766 E767E765-S769 VanDerWaalsContact O-CB 3.3Å; E765-S769 WeakPolarHBondContact O-CB 3.42Å; E765-S769 PolarHBondContact O-N 3.29Å; E765-S769 VanDerWaalsContact O-N 3.16Å; E765-S769 PolarHBondContact O-OG 3.32Å; R766-S769 PolarHBondContact O-N 2.96Å; E767-S769 VanDerWaalsContact C-N 3.25Å; E767-S769 PolarHBondContact O-N 2.9Å
770S40.6Very low46.2Very low88 Ų88122.9 Ų122.962%0.61566%0.659SS**Hα-helixtrans-91.5-22.1-177.458.80000113.8R766 E767 T772R766-S770 PolarHBondContact O-N 2.77Å; E767-S770 PolarHBondContact O-OG 2.87Å; E767-S770 VanDerWaalsContact O-OG 3.06Å; S770-T772 VanDerWaalsContact C-N 3.31Å; S770-T772 PolarHBondContact O-N 3.04Å; S770-T772 VanDerWaalsContact O-N 3.08Å
771V38.9Very low44.2Very low123 Ų123124.5 Ų124.575%0.74567%0.666SS**  trans-87.860.6-178-168.10000111.5
772T35.5Very low42.6Very low112 Ų112125.9 Ų125.969%0.68768%0.68SS**  trans-153.956.1168.5-26.80000114.6S770S770-T772 VanDerWaalsContact C-N 3.31Å; S770-T772 PolarHBondContact O-N 3.04Å; S770-T772 VanDerWaalsContact O-N 3.08Å
773Q32.6Very low40.6Very low186 Ų186128 Ų12887%0.86971%0.705SS**  trans-89.5107156.2-77.5-162.3-2.100110.3
774V32.4Very low39.1Very low128 Ų128130.2 Ų130.278%0.77673%0.732SS**  trans-115.5116166.2176.40000107.9
775V30.8Very low38.1Very low99 Ų99131.8 Ų131.860%0.675%0.751SS**  trans-88.1123.6179.2179.10000109.6H777V775-H777 PolarHBondContact O-N 2.97Å; V775-H777 VanDerWaalsContact O-N 3.14Å
776P36.7Very low36.9Very low121 Ų121128.8 Ų128.879%0.78676%0.757SS**  trans-79.595176.531.3-33.1000110.9
777H28Very low35.8Very low168 Ų168127.3 Ų127.378%0.77876%0.763SS**  trans-81.2140.3166.6-80.7-87.5000111.5V775V775-H777 PolarHBondContact O-N 2.97Å; V775-H777 VanDerWaalsContact O-N 3.14Å
778I41Very low35Very low165 Ų165128 Ų12885%0.84677%0.771SS**  trans-104.5132.6-178.844.5168.3000111.7
779T26.9Very low34.2Very low141 Ų141127.2 Ų127.287%0.86578%0.778SS**  trans-149.2160.6170.9-460000109.5
780V32.7Very low33.6Very low124 Ų124128.5 Ų128.575%0.75278%0.784SS**  trans-137.8145-162.9-147.60000113.4
781S29.7Very low32.9Very low109 Ų109134.8 Ų134.876%0.76279%0.794SS**  trans67.9168162.7-58.90000117.6
782P42.2Very low32.3Very low130 Ų130138 Ų13884%0.84480%0.799SS**  cis-128.1177.9-8.340.8-26.1000114.9
783G26.8Very low31.8Very low79 Ų79138.6 Ų138.681%0.81479%0.793SS**  trans125.8124.5150.600000118.6
784C29Very low31.5Very low129 Ų129141.6 Ų141.687%0.87280%0.797SS**  trans-104.7-179.8174.4-66.90000110.5
785P42.4Very low31.3Very low131 Ų131142.4 Ų142.485%0.85179%0.792SS**  cis-135.8175.18.342.6-25.2000116.7
786G29.1Very low30.9Very low77 Ų77147.2 Ų147.279%0.79480%0.801SS**  trans179.840.8178.500000121.2
787L33.9Very low30.2Very low165 Ų165147.9 Ų147.986%0.86479%0.793SS**  trans41.7133.2156.2-73.2176.6000123.9
788L33.7Very low30.1Very low154 Ų154148.2 Ų148.281%0.80680%0.795SS**  trans80.1109.8149.8-65.8170.8000121.6
789I32.3Very low29.5Very low156 Ų156147.2 Ų147.280%0.879%0.79SS**  trans-99.6136.9154.8-64.5162.3000108
790P31.3Very low29.6Very low113 Ų113145.4 Ų145.473%0.73478%0.783SS**  -128167.6129.91.620.4000113.7
791R26Very low30.2Very low221 Ų221144.6 Ų144.683%0.83478%0.78SS**  trans-128.6120.2-168.6177.4-172.7-176.4178.71.7112.1
792F25.5Very low30.1Very low191 Ų191145.7 Ų145.784%0.83878%0.778SS**  trans-140.1127.6162.3-56.3-81000105.8
793H25.6Very low29.3Very low123 Ų123147 Ų14757%0.56977%0.773SS**  cis76.9118.533.2-151.5-79.7000114.8H795H793-H795 AromaticContact CE1-CD2 3.77Å; H793-H795 AromaticContact CE1-CE1 3.3Å; H793-H795 PolarHBondContact CE1-CE1 3.3Å; H793-H795 AromaticContact CE1-CG 3.67Å; H793-H795 AromaticContact CE1-ND1 3.38Å; H793-H795 PolarHBondContact CE1-ND1 2.89Å; H793-H795 AromaticContact CE1-NE2 3.53Å; H793-H795 AromaticContact ND1-CD2 3.23Å; H793-H795 PolarHBondContact ND1-CD2 3.09Å; H793-H795 AromaticContact ND1-CE1 3.36Å; H793-H795 PolarHBondContact ND1-CE1 3.03Å; H793-H795 AromaticContact ND1-CG 3.59Å; H793-H795 AromaticContact ND1-ND1 3.66Å; H793-H795 AromaticContact ND1-NE2 3.05Å; H793-H795 PolarHBondContact ND1-NE2 3.1Å
794W24.9Very low29.3Very low249 Ų249150.4 Ų150.494%0.94377%0.771SS**  trans-113.9132.7170-93.192000108.6
795H28.3Very low30.3Very low145 Ų145149.5 Ų149.567%0.67176%0.763SS**  trans-115.8145.8175.3-65.8-91.1000110.3H793H793-H795 AromaticContact CE1-CD2 3.77Å; H793-H795 AromaticContact CE1-CE1 3.3Å; H793-H795 PolarHBondContact CE1-CE1 3.3Å; H793-H795 AromaticContact CE1-CG 3.67Å; H793-H795 AromaticContact CE1-ND1 3.38Å; H793-H795 PolarHBondContact CE1-ND1 2.89Å; H793-H795 AromaticContact CE1-NE2 3.53Å; H793-H795 AromaticContact ND1-CD2 3.23Å; H793-H795 PolarHBondContact ND1-CD2 3.09Å; H793-H795 AromaticContact ND1-CE1 3.36Å; H793-H795 PolarHBondContact ND1-CE1 3.03Å; H793-H795 AromaticContact ND1-CG 3.59Å; H793-H795 AromaticContact ND1-ND1 3.66Å; H793-H795 AromaticContact ND1-NE2 3.05Å; H793-H795 PolarHBondContact ND1-NE2 3.1Å
796Y23.3Very low29.4Very low201 Ų201154.7 Ų154.779%0.78877%0.768SS**  -175.6147.4120.4-114.1-122.9000106.8
797E22.2Very low29.2Very low134 Ų134156.9 Ų156.963%0.62676%0.761SS**  cis-145.2143.10.8-167.9168.3-167.800109.4
798H25.7Very low29Very low176 Ų176157 Ų15782%0.81576%0.757SS**  trans-147.8118.5163.4-154.8-61000107.9
799L27.4Very low28.6Very low144 Ų144154 Ų15475%0.75475%0.754SS**  trans-75.8132.7175.4-69.3167000109.3
800S29.4Very low28.4Very low102 Ų102150.7 Ų150.771%0.71375%0.75SS**  trans-112.6170.1161.4-62.30000107.8
801P45.1Very low28.3Very low107 Ų107151.7 Ų151.770%0.69575%0.749SS**  -151.7148.1107.236.2-19.5000116.3
802N27.6Very low28.7Very low133 Ų133149.4 Ų149.471%0.71175%0.748SS**  trans67.7157139.3-65.6-11.9000119.3
803Q26.3Very low28.8Very low158 Ų158143.8 Ų143.874%0.73874%0.737SS**  cis-153.1-166.7-16.4-120.9-18074.600111.8
804I27.3Very low29.3Very low150 Ų150143.8 Ų143.877%0.76975%0.746SS**  trans-76.8177.9-173.912.4177000113.3
805P48.7Very low29.7Very low110 Ų110140.4 Ų140.471%0.71474%0.74SS**  trans-96.7176.7-149.941.4-39.7000114.6
806Y24.9Very low29.7Very low240 Ų240137.9 Ų137.994%0.94174%0.739SS**  trans-156.2176.2141.8-128.5-89.7000112.7
807D23.8Very low30Very low123 Ų123134.9 Ų134.966%0.65873%0.732SS**  trans-101.6166.2-163.4-132.1-41.1000115.4
808H30.2Very low30.7Very low166 Ų166135.1 Ų135.177%0.76974%0.737SS**  trans70129.4150-85.641.4000123.5
809A25.3Very low30.9Very low91 Ų91133.9 Ų133.975%0.75273%0.732SS**  104.3129.912800000121.8
810A27.8Very low31Very low88 Ų88132.4 Ų132.473%0.72773%0.729SS**  trans68.3148.4143.800000119.7
811N29.5Very low31Very low133 Ų133134.4 Ų134.471%0.71173%0.731SS**  cis-171.1172.2-26.7-111.8-33.5000108.4
812H34.5Very low30.2Very low174 Ų174137.2 Ų137.281%0.80674%0.739SS**  trans71.4147.7159.5-59.9-47.8000118.2
813A27.3Very low30.1Very low73 Ų73134.3 Ų134.360%0.60374%0.74SS**  cis-165.6176.4-16.300000111.5
814T36.8Very low30.4Very low123 Ų123134.9 Ų134.976%0.75575%0.748SS**  trans70.4129.8170.961.60000115.6
815E32.1Very low31.1Very low177 Ų177132.7 Ų132.783%0.82774%0.744SS**  cis71.9142.539.8-58.6-166.8110.400113.5
816S28.3Very low30.3Very low93 Ų93136.2 Ų136.265%0.6575%0.753SS**  cis-154.1179.76.8-152.20000113
817H30.9Very low30.3Very low137 Ų137127.8 Ų127.863%0.63474%0.74SS**  trans67.8125.2161.9-111.1-92.4000118.5
818L35.7Very low31Very low140 Ų140134.2 Ų134.273%0.73375%0.754SS**  cis85.9137.726.9-64.9175.4000117.5
819Q29.8Very low31Very low150 Ų150129.6 Ų129.670%0.70175%0.752SS**  trans81.2152.4159.5-72.2169.947.800118.8
820T29.7Very low31.3Very low113 Ų113128.2 Ų128.269%0.69375%0.747SS**  cis-178.8168.6-30.9-101.20000109.2
821L29.8Very low31.5Very low144 Ų144132.2 Ų132.275%0.75475%0.75SS**  trans91.3122.6168.3-63.5125.3000120.6
822L27.8Very low31.6Very low166 Ų166135.2 Ų135.287%0.86976%0.762SS**  trans55.2137.4132.9-57.9174.5000121.8
823G26Very low31.5Very low72 Ų72130 Ų13074%0.74276%0.755SS**  trans-176.3-1.817100000121.5
824N33.1Very low31.4Very low169 Ų169134 Ų13490%0.90477%0.766SS**  trans-69.9138.4172-76.4-6.4000110.3
825P42Very low31.2Very low104 Ų104134.9 Ų134.968%0.67577%0.765SS**  -152.1174.5102.840.2-23.8000116.7
826M30.7Very low30.9Very low184 Ų184134.4 Ų134.491%0.90676%0.761SS**  trans72.2139.7160.5-67.2143.354.500119
827G26.3Very low30.9Very low64 Ų64137.5 Ų137.566%0.6677%0.767SS**  cis136.9139.5-16.900000115.9
828R38.6Very low30.6Very low257 Ų257134.7 Ų134.797%0.9777%0.767SS**  trans69.4155.3-170.8-44.4-178.4-145.6-86.70.6113.3
829G28.8Very low30.3Very low69 Ų69133.2 Ų133.271%0.71176%0.764SS**  cis-155.4165-7.700000107.6
830G31.2Very low30.3Very low63 Ų63133.8 Ų133.865%0.64977%0.767SS**  88.4128.352.700000109.2
831E33.5Very low30.4Very low172 Ų172136 Ų13680%0.80477%0.774SS**  cis-152.7157.610.2-50.2-60.715400110.6
832M31.7Very low30.4Very low195 Ų195132.8 Ų132.896%0.96178%0.776SS**  trans52.3157.7155.276.6175.8-171.500121.6
833G32.1Very low30.5Very low64 Ų64133.1 Ų133.166%0.6677%0.773SS**  cis166.2160-11.800000114.1
834L25.6Very low30.7Very low159 Ų159137.4 Ų137.483%0.83277%0.773SS**  trans32.4120134.8-72.2166.6000117.7
835L31.4Very low30.6Very low140 Ų140136.6 Ų136.673%0.73376%0.764SS**  cis-164.3148.646.6-85.9126.2000109.3
836K26.5Very low30.1Very low168 Ų168140.1 Ų140.173%0.7377%0.772SS**  66.3142.473.9-156.8-160.6175.8-168.20114.4
837M28.5Very low30.4Very low158 Ų158139.5 Ų139.578%0.77877%0.766SS**  trans76.6152.7173.7-35.4-75-90.700114.3
838A24.6Very low30.7Very low77 Ų77139.5 Ų139.564%0.63677%0.766SS**  cis-170.6166.9-32.600000110.1
839T28.3Very low30.5Very low110 Ų110133.4 Ų133.468%0.67575%0.753SS**  trans67.7111.1139.4-63.20000122.8
840E30Very low30.7Very low162 Ų162139.3 Ų139.376%0.75775%0.754SS**  trans56.3140.1135.495.5-148.415900126.3
841D32.6Very low30.8Very low159 Ų159141.8 Ų141.885%0.8575%0.753SS**  trans56147.5148-57.6-18.9000124.9
842G29.4Very low31Very low77 Ų77137 Ų13779%0.79474%0.742SS**  trans171.1122.8172.900000113.8
843H29.5Very low31.3Very low173 Ų173135.5 Ų135.580%0.80173%0.733SS**  trans-90.9170.5-169.4-91.3-121.8000116.4
844Q30.2Very low31.5Very low161 Ų161138.2 Ų138.275%0.75273%0.728SS**  trans-30.9174.6138.9-92.2165.3-83.400115.5
845E31.8Very low31.7Very low152 Ų152141 Ų14171%0.7173%0.729SS**  cis-147.5-179.617.25.7-125.5115.800109.9
846E31.3Very low31.5Very low178 Ų178138.3 Ų138.383%0.83272%0.722SS**  159.1131.4102.8-161.1172.5149.700104.6
847E35.9Very low31.5Very low171 Ų171134.7 Ų134.780%0.79972%0.718SS**  54.5142.172.1-158.9176173.900114.1
848G33.4Very low31.6Very low64 Ų64134 Ų13466%0.6672%0.717SS**  cis168.1173-16.400000114
849N33.2Very low31.8Very low129 Ų129138.2 Ų138.269%0.6972%0.723SS**  trans82.6171.4136.7-155.210.8000120.3
850R34.3Very low31.7Very low193 Ų193136.9 Ų136.973%0.72872%0.718SS**  trans89.8152.4163.1-55.3-172.3-178.5-74.7-6.8118.9
851D32.8Very low31.7Very low116 Ų116136.4 Ų136.462%0.6272%0.715SS**  cis-169.7150.2-21.7-90-25.2000104.8
852A38.7Very low31.5Very low70 Ų70136.4 Ų136.458%0.57971%0.71SS**  cis-173.6172.5-19.200000108.8
853E36.7Very low31.4Very low164 Ų164138.5 Ų138.577%0.76671%0.711SS**  trans67.5160.5150.9-67.9-16.6108.300122.6
854E36.1Very low31.2Very low122 Ų122141.4 Ų141.457%0.5772%0.715SS**  cis-170.4165.2-23.4-166.5-147.9132.700108S856E854-S856 PolarHBondContact OE1-N 3.24Å
855Y29.5Very low31.6Very low216 Ų216139.7 Ų139.785%0.84772%0.718SS**  -167.4101125.4-116.3-73.5000114.7
856S28.3Very low31.3Very low84 Ų84141.1 Ų141.159%0.58773%0.725SS**  trans60.9140.6144.6-70.50000123E854E854-S856 PolarHBondContact OE1-N 3.24Å
857S27.2Very low31Very low92 Ų92140.7 Ų140.764%0.64372%0.722SS**  cis-156.9-118.4-17.5-165.30000109.7
858L29.2Very low30.5Very low145 Ų145137.1 Ų137.176%0.75972%0.716SS**  cis-157.780-2-151.2168.7000112.8
859H30.1Very low30.1Very low164 Ų164141.7 Ų141.776%0.75972%0.721SS**  trans66.8163156.2-67.759.9000121.3
860S26.3Very low29.9Very low82 Ų82143.6 Ų143.657%0.57373%0.725SS**  cis-171.1166.9-41.7-1550000113
861H29.3Very low29.5Very low152 Ų152140.7 Ų140.770%0.70472%0.724SS**  trans67.6116.7152.3-65.8-52.9000125
862H29.3Very low29.3Very low159 Ų159142.9 Ų142.974%0.73673%0.728SS**  87122.1123.5-78.8-54.1000125.6
863C25.6Very low28.9Very low122 Ų122146.3 Ų146.382%0.82474%0.736SS**  trans84154.6131.3-70.70000122.1
864R26.4Very low28.4Very low234 Ų234146.5 Ų146.588%0.88374%0.737SS**  trans-128.4146.1-169.8-176.7-167.3-172.3-168.36.2109.4
865P38.3Very low28.1Very low124 Ų124146.3 Ų146.381%0.80574%0.744SS**  trans-145-160.4131.538.1-21000115.3
866Q25.7Very low27.9Very low183 Ų183143 Ų14386%0.85574%0.742SS**  trans-74.7148.4-157.2-64.1167.3-55.700119.3
867H25.8Very low27.8Very low168 Ų168149 Ų14978%0.77875%0.751SS**  42.2147.7115.7-148.5-77.5000123.7
868S24.3Very low27.7Very low97 Ų97150.2 Ų150.268%0.67875%0.75SS**  trans76.7132.4165.6-6.50000116
869Q25.1Very low27.5Very low160 Ų160153 Ų15375%0.74875%0.751SS**  cis97.3121.821-150.9-139.292.100115.3
870Q28.5Very low27.5Very low168 Ų168151.4 Ų151.479%0.78575%0.747SS**  trans59.8121167.6-75.5-173.11200121.2
871D25.7Very low27.4Very low133 Ų133153.7 Ų153.771%0.71175%0.753SS**  -145.5-172.3118.9-145.3-61.1000110.1
872K28.3Very low27.1Very low161 Ų161152 Ų15270%0.775%0.754SS**  trans-108.9166.3-146.5-58157.7-155.783.70115.6
873L31.4Very low28.1Very low143 Ų143149.3 Ų149.375%0.74975%0.75SS**  trans144.3116.5143.9-75.3169.7000109
874Q26.9Very low28Very low167 Ų167151.2 Ų151.278%0.7875%0.752SS**  63.4133.578.8-65-177.78.800112.9
875T28.9Very low28.4Very low118 Ų118145.6 Ų145.672%0.72475%0.748SS**  cis-138.9147.719.652.10000111.9
876N26Very low28.4Very low148 Ų148145.5 Ų145.579%0.79175%0.747SS**  43.7130.182.5-79.6-60.6000114.2
877R25.2Very low28.6Very low209 Ų209140.2 Ų140.279%0.78974%0.742SS**  -178.7142.155.6-167.3176.969.8104.6-12.3114.5
878D26.1Very low28.7Very low117 Ų117137.4 Ų137.463%0.62674%0.742SS**  trans66.2134.5150.2-85.6-50.9000126.4
879R25.4Very low28.9Very low203 Ų203137 Ų13777%0.76674%0.739SS**  trans89.1111.7133.9-76.1178.492.8156.47.4124.8
880L28.9Very low29.1Very low131 Ų131137.8 Ų137.869%0.68674%0.739SS**  94.1127.3127.9-69.8173.7000122.1
881D23.8Very low29.1Very low131 Ų131135.8 Ų135.870%0.70174%0.739SS**  trans75.9123.2141.7-96.7-60.9000125.5
882T23.7Very low29.2Very low117 Ų117137.8 Ų137.872%0.71874%0.741SS**  trans-38.9175139.1170000116.4
883P49.8Very low29.2Very low101 Ų101134.8 Ų134.866%0.65675%0.747SS**  cis-135.9-162.2-5.625.11000114.2
884L23.8Very low29Very low163 Ų163133.9 Ų133.985%0.85375%0.746SS**  trans94.5143.3155.3-53.2179000119.1
885S35.7Very low30Very low115 Ų115130.8 Ų130.880%0.80474%0.741SS**  trans-96.2161.7174.3-41.80000111.9
886P37.7Very low29.9Very low122 Ų122133.9 Ų133.979%0.79275%0.747SS**  trans-114.7156.4133.536.6-30.4000109.9
887G29.1Very low30.1Very low73 Ų73132.1 Ų132.175%0.75374%0.742SS**  cis92.8103.817.800000109.7
888S27.6Very low30.5Very low109 Ų109130.7 Ų130.776%0.76274%0.744SS**  -160.9140.359.1-130.60000109.8
889S29.6Very low30.7Very low88 Ų88128.8 Ų128.862%0.61575%0.752SS**  68.3146.883.3-48.60000115.9
890K29.5Very low31.1Very low176 Ų176127.8 Ų127.877%0.76576%0.758SS**  cis-164.9-174-15.7-99165.5-167176.60104.8
891V29Very low31.3Very low127 Ų127127.9 Ų127.977%0.7776%0.764SS**  cis-146.1141.215.1-171.30000105.2
892F26.9Very low31.7Very low175 Ų175127 Ų12777%0.76877%0.768SS**  cis92.5114.739-109.1-71.6000117.7V894F892-V894 HydrophobicContact CD1-CG2 4.5Å; F892-V894 HydrophobicContact CE1-CG2 4.34Å
893A27.6Very low32.1Very low98 Ų98130.6 Ų130.681%0.8178%0.779SS**  trans-164134.3146.600000109.3
894V28.5Very low31.5Very low123 Ų123129.9 Ų129.975%0.74578%0.781SS**  trans-154.7129.5-173.9173.40000111.4F892F892-V894 HydrophobicContact CD1-CG2 4.5Å; F892-V894 HydrophobicContact CE1-CG2 4.34Å
895P46.5Very low31.7Very low103 Ų103131.7 Ų131.767%0.66978%0.783SS**  trans-145.8174.1133.740.2-25.8000115.1
896E26.5Very low31.5Very low183 Ų183131.2 Ų131.286%0.85578%0.78SS**  trans60.9134.3155.6-76.517691.100121.2
897V32.2Very low31.3Very low111 Ų111133.8 Ų133.867%0.67378%0.781SS**  cis-148.7-172.3-586.70000111.7
898Q31.8Very low31.8Very low179 Ų179136.2 Ų136.284%0.83678%0.781SS**  trans-43.5161.4-177-61.2134.4-24.700116.3
899G30.8Very low33Very low77 Ų77135.8 Ų135.879%0.79478%0.776SS**  cis173.71682.800000111.4
900M33.7Very low33.5Very low182 Ų182143.8 Ų143.890%0.89779%0.793SS**  trans-111.3142.9-167.760.6-178.9178.100114.4
901V32.4Very low33.9Very low132 Ų132144.6 Ų144.680%0.880%0.799SS**  172.5136.5125.1151.10000109.6
902S33.5Very low34.4Very low114 Ų114144.1 Ų144.180%0.79780%0.797SS**  trans-86.4142.9176.7-43.20000112.4
903M31.5Very low35Very low191 Ų191144.9 Ų144.994%0.94181%0.805SS**  trans-143.3154.5144.5-77.2-146.5-64.300109.5
904A36.6Very low36Very low86 Ų86146.7 Ų146.771%0.71180%0.797SS**  trans-102.4156.9176.500000110.7
905F29Very low36.5Very low201 Ų201151.2 Ų151.288%0.88280%0.801SS**  175.5150.5126.2-96.2-66.2000111.9
906S32.4Very low36.1Very low106 Ų106154.9 Ų154.974%0.74181%0.814SS**  trans56126.8153.458.70000122.8
907E32.6Very low36.5Very low175 Ų175153 Ų15382%0.81881%0.81SS**  trans-38.5160.7140.2-66.7161.6108.400113.2
908T39Very low36.5Very low124 Ų124155.3 Ų155.376%0.76182%0.818SS**  cis-168.6-160.45.716.50000106.9
909P52.8Low36.7Very low100 Ų100152.8 Ų152.865%0.64982%0.815SS**  cis-130.2179.3-47.935.3-17.5000114.7
910W41.1Very low37.1Very low256 Ų256154.8 Ų154.897%0.9781%0.813SS**  trans26.397.9156.2-55.4113.2000122.2
911E38.1Very low37.2Very low193 Ų193152.3 Ų152.390%0.90281%0.811SS**  trans-152.1143.3137-104.5173.7173.700105.3
912T38.3Very low36.8Very low117 Ų117151.5 Ų151.572%0.71881%0.811SS**  cis-145.8155.243.9-49.40000110.3E914T912-E914 HydrophobicContact CG2-CG 4.2Å
913M40.6Very low36.5Very low191 Ų191152.3 Ų152.394%0.94182%0.817SS**  trans-122.191.3175.2-167.6178.5-59.500112.7
914E47.8Very low36.3Very low136 Ų136147.8 Ų147.864%0.63681%0.81SS**  trans-139.6142.816754.5173.3-128.600106.2T912T912-E914 HydrophobicContact CG2-CG 4.2Å
915W38.4Very low36Very low218 Ų218150.2 Ų150.283%0.82682%0.816SS**  cis-133.5145.418.3-69.365000111.5
916L39.5Very low35.9Very low180 Ų180144.3 Ų144.394%0.94280%0.804SS**  trans-128.5113.7160.1-85176.6000109
917D33.4Very low35.8Very low145 Ų145149.4 Ų149.478%0.77581%0.813SS**  trans-160.6178.3151.5-153.5-7000110.6
918L33.1Very low35.5Very low159 Ų159144.7 Ų144.783%0.83281%0.812SS**  trans94.985.6-178.7-56.3-177.5000115.8
919T36.5Very low34.9Very low126 Ų126142.5 Ų142.577%0.77381%0.814SS**PPolyproline II helixtrans-58.5148.9163.258.30000114.1
920P38.8Very low33.7Very low118 Ų118142.9 Ų142.977%0.76683%0.826SS**PPolyproline II helixtrans-94.1146.7168.735.8-32.5000112.7
921P35.8Very low32.9Very low130 Ų130135.5 Ų135.584%0.84482%0.819SS**PPolyproline II helixtrans-81.2154.9171.233.1-34.6000113.1
922S24.1Very low32.7Very low116 Ų116134.9 Ų134.981%0.81182%0.816SS**PPolyproline II helixtrans-75.4156.2-178.9-48.40000114.9
923S27.7Very low32.5Very low130 Ų130135 Ų13591%0.90982%0.819SS**  trans-171.5160131.8-84.90000112.3
924A27.2Very low31.8Very low97 Ų97130.9 Ų130.980%0.80281%0.809SS**  trans-142.7146.3-169.700000114.7
925T29.3Very low30.9Very low137 Ų137128.8 Ų128.884%0.8482%0.815SS**  trans-167.7135.3154.829.60000107.4
926A27.8Very low31Very low77 Ų77124.1 Ų124.164%0.63681%0.813SS**  cis94.9136.625.100000115.2
927F30.2Very low30.9Very low212 Ų212121.1 Ų121.193%0.9381%0.807SS**  trans68141.6-173.1-55.5-86.9000116.2
928G27Very low30.9Very low77 Ų77121.4 Ų121.479%0.79481%0.807SS**  cis122.2113.3-14.500000115.4
929G24.7Very low30.9Very low77 Ų77123.2 Ų123.279%0.79481%0.808SS**  trans164.686.3169.200000120.6
930A27.7Very low30.6Very low109 Ų109123.9 Ų123.990%0.90181%0.807SS**  trans63.2159.713200000125
931A25.9Very low30.3Very low100 Ų100123.1 Ų123.183%0.82680%0.8SS**  trans95.9114.7154.500000120.8
932Q33Very low30.3Very low181 Ų181124.1 Ų124.185%0.84679%0.794SS**  trans-108.9154.6161-82.8-87-53.200109.3
933P34.8Very low30.9Very low120 Ų120127 Ų12778%0.77979%0.792SS**  -147.1171.4116.236.4-21.2000112.9
934S25.9Very low31.7Very low104 Ų104129.2 Ų129.273%0.72779%0.793SS**  cis162.4109.7-23.6170.50000108.6
935A29.1Very low32.2Very low92 Ų92129.9 Ų129.976%0.7678%0.783SS**  trans62.2177155.100000119.1
936P40.6Very low32.7Very low120 Ų120130 Ų13078%0.77978%0.783SS**  cis-110.6170.4-14.937.9-23.5000112.6
937S36.5Very low33.5Very low117 Ų117131.3 Ų131.382%0.81878%0.783SS**  cis89.5105.331.9-162.10000116.7
938I32.4Very low34Very low150 Ų150128.4 Ų128.477%0.76978%0.777SS**  trans-167.2146.4163.236.9171.1000105.9
939F35Very low34.6Very low198 Ų198132.6 Ų132.687%0.86878%0.78SS**  cis-120.2-177.76.5-87.5-95.2000112
940N29.3Very low35.1Very low139 Ų139135.8 Ų135.874%0.74378%0.779SS**  trans-143.8158.6-177.8-156.43.2000111.4
941T32.8Very low35.6Very low102 Ų102137.9 Ų137.963%0.62677%0.774SS**  trans56.2166.8168.344.50000117.7
942E35.1Very low35.8Very low152 Ų152139.8 Ų139.871%0.7177%0.77SS**  cis-150.41546.110.9-123.1113.500114.3
943F37.1Very low36.2Very low177 Ų177137.3 Ų137.378%0.77677%0.773SS**  trans42.5124.8151.5-78-92000124.5
944L44.3Very low36.2Very low175 Ų175135.3 Ų135.392%0.91677%0.766SS**  -148.6164.2114.8-110.8174.2000110.2
945D37.8Very low36.5Very low112 Ų112138.2 Ų138.260%0.59977%0.77SS**  trans-107.7173.2-148.1-138.8-34.9000116.8
946V38.7Very low36.8Very low138 Ų138141.4 Ų141.484%0.83678%0.775SS**  trans-119.836.9-165.2-165.80000112.1
947T44.7Very low36.6Very low106 Ų106142.6 Ų142.665%0.6577%0.774SS**  trans-104.9-16.8-169.851.10000116.4
948D41.7Very low36.6Very low150 Ų150144.4 Ų144.480%0.80277%0.769SS**SBendtrans-116.5124.3169.3-63.6-68.9000107.3
949I38.8Very low37Very low166 Ų166145.8 Ų145.885%0.85178%0.777SS**  cis-135.3136.128.5-64.7148.1000110.3
950N36.4Very low37.1Very low143 Ų143143.7 Ų143.777%0.76577%0.77SS**  trans-135.5108.9166176.710.4000110.9
951L37.8Very low37.5Very low154 Ų154145 Ų14581%0.80677%0.771SS**  trans-144.2114.7158.3-81.7-175.4000111.7
952N30.9Very low37.7Very low139 Ų139154.6 Ų154.674%0.74380%0.797SS**  trans44.6121.7153.4-71.3-9.4000121.2
953S40.9Very low37.8Very low130 Ų130154.8 Ų154.891%0.90980%0.801SS**  trans-65.2125.3146-179.90000110.2
954A34.1Very low37.8Very low77 Ų77153.6 Ų153.664%0.63680%0.802SS**  trans-158.6117.1167.100000110.6
955M32.4Very low37.5Very low165 Ų165152.4 Ų152.481%0.81380%0.796SS**  trans63.6134.8177.6-45.1-170.2-5600114.5
956D35.4Very low37.4Very low159 Ų159154.8 Ų154.885%0.8581%0.807SS**  cis46.178.42-160.430.2000116.5
957L36.3Very low37.4Very low145 Ų145155.8 Ų155.876%0.75981%0.806SS**  trans-168.3161.6138.7-106.9166.7000110.5
958Q37Very low36.9Very low155 Ų155159.1 Ų159.172%0.72482%0.816SS**  trans63.267.2174.4-54.8-158.9-85.600117.2E960Q958-E960 VanDerWaalsContact C-N 3.29Å; Q958-E960 PolarHBondContact O-N 2.83Å
959L39.5Very low36.5Very low179 Ų179159.8 Ų159.894%0.93782%0.817SS**  trans-73.591134.2178.675.5000107.9
960E37.8Very low36.4Very low155 Ų155159.3 Ų159.372%0.72481%0.814SS**  trans-148.8134.2170.8-157.5162.7-14900109.6Q958Q958-E960 VanDerWaalsContact C-N 3.29Å; Q958-E960 PolarHBondContact O-N 2.83Å
961H38Very low36.3Very low165 Ų165160.7 Ų160.776%0.76482%0.819SS**  trans65.871.7-173.7-12498000116.1
962W36.2Very low36.2Very low305 Ų305161.3 Ų161.3100%1.15582%0.82SS**  -170.90114.3-97.1105.6000111.4

Retrieved 962 of 962 residues in 931.5 ms (Link to these results)