A0A087WNK8_MOUSE Loading...

LIM homeobox protein 1

Potential transcription factor. May play a role in early mesoderm formation and later in lateral mesoderm differentiation and neurogenesis.

AlphaFold DB , UniProt , Accession A0A087WNK8, Species MOUSE (Mus musculus, Mouse), Gene Lhx1, Length 315 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.2Low69.5Low155 Ų155116.2 Ų116.276%0.76464%0.642SS**  094.90-55.1-138.2-72.800108.9K20M1-K20 WeakPolarHBondContact O-CE 3.33Å
2M62Low70.1Confident132 Ų132116.2 Ų116.265%0.6563%0.634SS**  trans-93.4162.1145.6-74.1163.8151.500105.8N4M2-N4 PolarHBondContact O-N 3.38Å
3C71.8Confident70.8Confident29 Ų29113.1 Ų113.120%0.19662%0.616CS.*  trans-59.8131.6-174.3-173.50000112.4K5 C23 D26C3-K5 PolarHBondContact O-N 3.23Å; C3-C23 HydrophobicContact CB-CB 3.74Å; C3-C23 WeakPolarHBondContact CB-SG 3.45Å; C3-C23 WeakPolarHBondContact SG-CB 3.46Å; C3-C23 CovalentContact SG-SG 2.02Å; C3-C23 PolarHBondContact SG-SG 3.46Å; C3-D26 WeakPolarHBondContact CA-OD2 3.3Å
4N67.4Low71.4Confident152 Ų152110.3 Ų110.381%0.81359%0.592SS**SBendtrans-78.59.7179.5-68-37.9000113.4M2M2-N4 PolarHBondContact O-N 3.38Å
5K71.2Confident72Confident146 Ų146111 Ų11164%0.63559%0.594SS**SBendtrans-124.7141.1-174.2-153.1-173.5-179.9-159.10109.4C3 L7C3-K5 PolarHBondContact O-N 3.23Å; K5-L7 PolarHBondContact O-N 2.68Å
6Q70.8Confident72.4Confident183 Ų183108.8 Ų108.886%0.85558%0.581SS**PPolyproline II helixtrans-71.7118.8178.3-172.4146.3800110.3
7L68.3Low72.8Confident84 Ų84107.9 Ų107.944%0.4458%0.577SS.*PPolyproline II helixtrans-72.8132.8-174.2-68.5166.8000111.8K5 E11 L13 C23K5-L7 PolarHBondContact O-N 2.68Å; L7-E11 VanDerWaalsContact CA-OE2 3.3Å; L7-E11 WeakPolarHBondContact CA-OE2 3.38Å; L7-L13 HydrophobicContact CD1-CD1 4.09Å; L7-L13 HydrophobicContact CD1-CD2 3.8Å; L7-L13 HydrophobicContact CD1-CG 4.49Å; L7-L13 HydrophobicContact CD2-CD2 3.67Å; L7-L13 HydrophobicContact CG-CD2 4.4Å; L7-C23 VanDerWaalsContact CD2-SG 3.52Å
8S75.1Confident72.9Confident76 Ų76112.6 Ų112.653%0.53160%0.595SS.*PPolyproline II helixtrans-97.4150.5174.8-60.70000111.5G10 E11S8-G10 PolarHBondContact O-N 3.21Å; S8-E11 PolarHBondContact N-OE2 3Å; S8-E11 PolarHBondContact O-N 3.31Å; S8-E11 VanDerWaalsContact O-N 3.13Å
9T68.4Low72.9Confident157 Ų157113.9 Ų113.996%0.96360%0.602SS**THydrogen-bonded Turntrans-61.4110.4175.835.20000111
10G74.1Confident73.2Confident80 Ų80111.5 Ų111.583%0.82559%0.586SS**THydrogen-bonded Turntrans119.3-7.7-177.800000114.5S8S8-G10 PolarHBondContact O-N 3.21Å
11E76.6Confident73.5Confident84 Ų84110.9 Ų110.939%0.39358%0.579SS.*  trans-76.8137.7177.8-69.4-176.6137.900113L7 S8L7-E11 VanDerWaalsContact CA-OE2 3.3Å; L7-E11 WeakPolarHBondContact CA-OE2 3.38Å; S8-E11 PolarHBondContact N-OE2 3Å; S8-E11 PolarHBondContact O-N 3.31Å; S8-E11 VanDerWaalsContact O-N 3.13Å
12E76.5Confident74.7Confident116 Ų116103.7 Ų103.754%0.54254%0.544SS..  trans-79.4127.5-178.3-63.2179138.900112K24E12-K24 IonicContact OE2-NZ 2.66Å; E12-K24 PolarHBondContact OE2-NZ 3.45Å
13L79.4Confident75.8Confident76 Ų7698.1 Ų98.140%0.39852%0.517SS..EExtended strand (participates in β ladder)trans-109.6140.2178.3-66.7178.5000112.3L7 F21L7-L13 HydrophobicContact CD1-CD1 4.09Å; L7-L13 HydrophobicContact CD1-CD2 3.8Å; L7-L13 HydrophobicContact CD1-CG 4.49Å; L7-L13 HydrophobicContact CD2-CD2 3.67Å; L7-L13 HydrophobicContact CG-CD2 4.4Å; L13-F21 HydrophobicContact CD1-CB 4.47Å
14Y79.2Confident76.2Confident74 Ų74101 Ų10129%0.2953%0.526SS..EExtended strand (participates in β ladder)trans-103129.7174.9-68.2-97.4000110.1F21 V22 K24 Y27Y14-F21 WeakPolarHBondContact O-CA 3.48Å; Y14-V22 PolarHBondContact N-O 3.48Å; Y14-V22 PolarHBondContact O-N 2.98Å; Y14-K24 HydrophobicContact CD2-CB 4.32Å; Y14-K24 HydrophobicContact CE2-CB 3.78Å; Y14-K24 HydrophobicContact CE2-CD 4.36Å; Y14-K24 HydrophobicContact CE2-CG 3.79Å; Y14-Y27 AromaticContact CD1-CD1 3.72Å; Y14-Y27 HydrophobicContact CD1-CD1 3.72Å; Y14-Y27 HydrophobicContact CD1-CD2 4.4Å; Y14-Y27 AromaticContact CD1-CE1 3.82Å; Y14-Y27 HydrophobicContact CD1-CE1 3.82Å; Y14-Y27 HydrophobicContact CD1-CE2 4.48Å; Y14-Y27 HydrophobicContact CD1-CG 4.03Å; Y14-Y27 HydrophobicContact CD2-CD1 4.34Å; Y14-Y27 HydrophobicContact CD2-CG 4.29Å; Y14-Y27 AromaticContact CE1-CD1 3.94Å; Y14-Y27 HydrophobicContact CE1-CD1 3.94Å; Y14-Y27 AromaticContact CE1-CE1 3.98Å; Y14-Y27 HydrophobicContact CE1-CE1 3.98Å; Y14-Y27 AromaticContact CG-CD1 3.94Å; Y14-Y27 HydrophobicContact CG-CD1 3.94Å; Y14-Y27 HydrophobicContact CG-CD2 4.26Å; Y14-Y27 HydrophobicContact CG-CE1 4.45Å; Y14-Y27 AromaticContact CG-CG 3.83Å; Y14-Y27 HydrophobicContact CG-CG 3.83Å
15I79.5Confident76.7Confident121 Ų121100.5 Ų100.562%0.62152%0.52SS*.EExtended strand (participates in β ladder)trans-91.9119.9177.6-55.8177000108.1D17 F21I15-D17 VanDerWaalsContact CG2-O 3.25Å; I15-D17 WeakPolarHBondContact CG2-O 3.37Å; I15-F21 HydrophobicContact CD1-CE1 4.19Å; I15-F21 HydrophobicContact CG1-CD1 3.94Å; I15-F21 HydrophobicContact CG1-CE1 3.94Å
16I79.1Confident76.9Confident75 Ų7595.4 Ų95.439%0.38550%0.499SS..EExtended strand (participates in β ladder)trans-95.4-43176.4-58.5-168.1000110.8K20 V22I16-K20 PolarHBondContact N-O 3.24Å; I16-V22 HydrophobicContact CD1-CB 3.96Å; I16-V22 HydrophobicContact CD1-CG1 4.4Å; I16-V22 HydrophobicContact CD1-CG2 3.45Å; I16-V22 VanDerWaalsContact CD1-CG2 3.45Å; I16-V22 HydrophobicContact CG1-CB 4.32Å; I16-V22 HydrophobicContact CG1-CG2 3.96Å
17D79.4Confident77.4Confident95 Ų9591.4 Ų91.451%0.50848%0.477SS..EExtended strand (participates in β ladder)trans-136169.3179.5-58-73.2000110.4I15 N19 K20I15-D17 VanDerWaalsContact CG2-O 3.25Å; I15-D17 WeakPolarHBondContact CG2-O 3.37Å; D17-N19 PolarHBondContact O-N 3.02Å; D17-K20 HydrophobicContact CB-CB 3.98Å; D17-K20 PolarHBondContact O-N 3.11Å
18E74.6Confident77.8Confident192 Ų19291.7 Ų91.790%0.89748%0.479SS*.THydrogen-bonded Turntrans-53.3-17.7-171.9-65-178.9162.300114.9
19N72.9Confident77.6Confident137 Ų13790.9 Ų90.973%0.73347%0.473SS*.THydrogen-bonded Turntrans-138.622.4173-61.496.5000114.2D17D17-N19 PolarHBondContact O-N 3.02Å
20K77.8Confident77.4Confident66 Ų6687.7 Ų87.729%0.28745%0.45SS..EExtended strand (participates in β ladder)trans-125110.5-173.1-174.8163.7161.4-760113.3M1 I16 D17M1-K20 WeakPolarHBondContact O-CE 3.33Å; I16-K20 PolarHBondContact N-O 3.24Å; D17-K20 HydrophobicContact CB-CB 3.98Å; D17-K20 PolarHBondContact O-N 3.11Å
21F79.7Confident76.9Confident98 Ų9886.4 Ų86.443%0.4343%0.428SS..EExtended strand (participates in β ladder)trans-100.2141.9179.5-50.6-82.8000111.6L13 Y14 I15L13-F21 HydrophobicContact CD1-CB 4.47Å; Y14-F21 WeakPolarHBondContact O-CA 3.48Å; I15-F21 HydrophobicContact CD1-CE1 4.19Å; I15-F21 HydrophobicContact CG1-CD1 3.94Å; I15-F21 HydrophobicContact CG1-CE1 3.94Å
22V84.3Confident76Confident5 Ų585.8 Ų85.83%0.0343%0.433CS..EExtended strand (participates in β ladder)trans-135.6141.5178.4176.40000109.2Y14 I16 D26Y14-V22 PolarHBondContact N-O 3.48Å; Y14-V22 PolarHBondContact O-N 2.98Å; I16-V22 HydrophobicContact CD1-CB 3.96Å; I16-V22 HydrophobicContact CD1-CG1 4.4Å; I16-V22 HydrophobicContact CD1-CG2 3.45Å; I16-V22 VanDerWaalsContact CD1-CG2 3.45Å; I16-V22 HydrophobicContact CG1-CB 4.32Å; I16-V22 HydrophobicContact CG1-CG2 3.96Å; V22-D26 HydrophobicContact CG1-CB 3.42Å; V22-D26 VanDerWaalsContact CG1-CB 3.42Å
23C85.4Confident75.1Confident14 Ų1484 Ų8410%0.09543%0.43CS..EExtended strand (participates in β ladder)trans-64.9155.8177-88.40000111.8C3 L7 E25 D26 Y27C3-C23 HydrophobicContact CB-CB 3.74Å; C3-C23 WeakPolarHBondContact CB-SG 3.45Å; C3-C23 WeakPolarHBondContact SG-CB 3.46Å; C3-C23 CovalentContact SG-SG 2.02Å; C3-C23 PolarHBondContact SG-SG 3.46Å; L7-C23 VanDerWaalsContact CD2-SG 3.52Å; C23-E25 VanDerWaalsContact C-N 3.26Å; C23-E25 PolarHBondContact O-N 3.06Å; C23-D26 HydrophobicContact CB-CB 4.44Å; C23-D26 PolarHBondContact O-N 3.38Å; C23-Y27 WeakPolarHBondContact O-CB 3.48Å; C23-Y27 PolarHBondContact O-N 3.26Å
24K80.1Confident73.8Confident89 Ų8983.8 Ų83.839%0.38744%0.439SS..Hα-helixtrans-50.7-44.9171.2-171164.6-175.11710112.9E12 Y14 Y27 L28E12-K24 IonicContact OE2-NZ 2.66Å; E12-K24 PolarHBondContact OE2-NZ 3.45Å; Y14-K24 HydrophobicContact CD2-CB 4.32Å; Y14-K24 HydrophobicContact CE2-CB 3.78Å; Y14-K24 HydrophobicContact CE2-CD 4.36Å; Y14-K24 HydrophobicContact CE2-CG 3.79Å; K24-Y27 PolarHBondContact O-N 2.98Å; K24-L28 HydrophobicContact CG-CD1 3.97Å; K24-L28 WeakPolarHBondContact O-CB 3.31Å; K24-L28 VanDerWaalsContact O-CG 3.26Å; K24-L28 WeakPolarHBondContact O-CG 3.33Å; K24-L28 PolarHBondContact O-N 3.21Å
25E77.8Confident72.5Confident143 Ų14388.1 Ų88.167%0.66846%0.46SS*.Hα-helixtrans-61.6-52179.4-148.463.4-139.700112.5C23 Y27 L28 S29C23-E25 VanDerWaalsContact C-N 3.26Å; C23-E25 PolarHBondContact O-N 3.06Å; E25-Y27 VanDerWaalsContact C-N 3.29Å; E25-Y27 PolarHBondContact O-N 3.45Å; E25-L28 PolarHBondContact O-N 2.79Å; E25-S29 WeakPolarHBondContact O-CB 3.4Å; E25-S29 PolarHBondContact O-N 3.05Å; E25-S29 PolarHBondContact O-OG 2.98Å
26D76.9Confident70.8Confident39 Ų3987.9 Ų87.921%0.20946%0.456CS..Hα-helixtrans-64.6-32.4178.6-65.7-18.7000112.2C3 V22 C23 S29 N30C3-D26 WeakPolarHBondContact CA-OD2 3.3Å; V22-D26 HydrophobicContact CG1-CB 3.42Å; V22-D26 VanDerWaalsContact CG1-CB 3.42Å; C23-D26 HydrophobicContact CB-CB 4.44Å; C23-D26 PolarHBondContact O-N 3.38Å; D26-S29 WeakPolarHBondContact CA-OG 3.4Å; D26-S29 PolarHBondContact O-OG 2.79Å; D26-N30 VanDerWaalsContact O-CB 3.24Å; D26-N30 WeakPolarHBondContact O-CB 3.31Å; D26-N30 PolarHBondContact O-N 3.33Å
27Y79.9Confident68.9Low99 Ų9991.2 Ų91.239%0.38847%0.474SS..Hα-helixtrans-72.6-44.2176.8-178.4-100.1000111.9Y14 C23 K24 E25 S31Y14-Y27 AromaticContact CD1-CD1 3.72Å; Y14-Y27 HydrophobicContact CD1-CD1 3.72Å; Y14-Y27 HydrophobicContact CD1-CD2 4.4Å; Y14-Y27 AromaticContact CD1-CE1 3.82Å; Y14-Y27 HydrophobicContact CD1-CE1 3.82Å; Y14-Y27 HydrophobicContact CD1-CE2 4.48Å; Y14-Y27 HydrophobicContact CD1-CG 4.03Å; Y14-Y27 HydrophobicContact CD2-CD1 4.34Å; Y14-Y27 HydrophobicContact CD2-CG 4.29Å; Y14-Y27 AromaticContact CE1-CD1 3.94Å; Y14-Y27 HydrophobicContact CE1-CD1 3.94Å; Y14-Y27 AromaticContact CE1-CE1 3.98Å; Y14-Y27 HydrophobicContact CE1-CE1 3.98Å; Y14-Y27 AromaticContact CG-CD1 3.94Å; Y14-Y27 HydrophobicContact CG-CD1 3.94Å; Y14-Y27 HydrophobicContact CG-CD2 4.26Å; Y14-Y27 HydrophobicContact CG-CE1 4.45Å; Y14-Y27 AromaticContact CG-CG 3.83Å; Y14-Y27 HydrophobicContact CG-CG 3.83Å; C23-Y27 WeakPolarHBondContact O-CB 3.48Å; C23-Y27 PolarHBondContact O-N 3.26Å; K24-Y27 PolarHBondContact O-N 2.98Å; E25-Y27 VanDerWaalsContact C-N 3.29Å; E25-Y27 PolarHBondContact O-N 3.45Å; Y27-S31 VanDerWaalsContact O-CB 3.25Å; Y27-S31 WeakPolarHBondContact O-CB 3.39Å; Y27-S31 PolarHBondContact O-N 2.99Å
28L76.9Confident67.2Low90 Ų9091.4 Ų91.447%0.47148%0.484SS..Hα-helixtrans-70.5-41.8180-69.9173.8000112.1K24 E25 S31 S32K24-L28 HydrophobicContact CG-CD1 3.97Å; K24-L28 WeakPolarHBondContact O-CB 3.31Å; K24-L28 VanDerWaalsContact O-CG 3.26Å; K24-L28 WeakPolarHBondContact O-CG 3.33Å; K24-L28 PolarHBondContact O-N 3.21Å; E25-L28 PolarHBondContact O-N 2.79Å; L28-S31 WeakPolarHBondContact O-CB 3.4Å; L28-S31 PolarHBondContact O-N 2.99Å; L28-S32 PolarHBondContact O-N 3.19Å; L28-S32 PolarHBondContact O-OG 3.32Å
29S70.8Confident66Low58 Ų5888.6 Ų88.641%0.40647%0.474SS..Hα-helixtrans-64.4-41.2175.152.20000112.6E25 D26 S31 S32 V33E25-S29 WeakPolarHBondContact O-CB 3.4Å; E25-S29 PolarHBondContact O-N 3.05Å; E25-S29 PolarHBondContact O-OG 2.98Å; D26-S29 WeakPolarHBondContact CA-OG 3.4Å; D26-S29 PolarHBondContact O-OG 2.79Å; S29-S31 VanDerWaalsContact C-N 3.28Å; S29-S31 PolarHBondContact O-N 2.92Å; S29-S32 PolarHBondContact O-N 3.22Å; S29-S32 PolarHBondContact O-OG 3.46Å; S29-V33 WeakPolarHBondContact O-CG2 3.4Å; S29-V33 PolarHBondContact O-N 2.88Å
30N64.6Low64.5Low90 Ų9089.4 Ų89.448%0.48147%0.473SS..Hα-helixtrans-68.8-28.5173.5-169.252.3000112.3D26 A34D26-N30 VanDerWaalsContact O-CB 3.24Å; D26-N30 WeakPolarHBondContact O-CB 3.31Å; D26-N30 PolarHBondContact O-N 3.33Å; N30-A34 VanDerWaalsContact O-CB 3.27Å; N30-A34 WeakPolarHBondContact O-CB 3.22Å; N30-A34 PolarHBondContact O-N 3.19Å
31S63.2Low62.5Low53 Ų5392.3 Ų92.337%0.37150%0.502SS..Hα-helixtrans-72.4-33.4175.4-172.40000113.1Y27 L28 S29Y27-S31 VanDerWaalsContact O-CB 3.25Å; Y27-S31 WeakPolarHBondContact O-CB 3.39Å; Y27-S31 PolarHBondContact O-N 2.99Å; L28-S31 WeakPolarHBondContact O-CB 3.4Å; L28-S31 PolarHBondContact O-N 2.99Å; S29-S31 VanDerWaalsContact C-N 3.28Å; S29-S31 PolarHBondContact O-N 2.92Å
32S57.4Low60.5Low71 Ų7192.1 Ų92.150%0.49752%0.518SS..Hα-helixtrans-73.7-43.4171.654.80000111.9L28 S29 A34 K35 E36L28-S32 PolarHBondContact O-N 3.19Å; L28-S32 PolarHBondContact O-OG 3.32Å; S29-S32 PolarHBondContact O-N 3.22Å; S29-S32 PolarHBondContact O-OG 3.46Å; S32-A34 VanDerWaalsContact C-N 3.29Å; S32-A34 PolarHBondContact O-N 3.39Å; S32-K35 WeakPolarHBondContact O-CB 3.48Å; S32-K35 PolarHBondContact O-N 3.27Å; S32-E36 PolarHBondContact O-N 2.97Å
33V57.3Low58.6Low78 Ų7898.6 Ų98.647%0.47356%0.558SS.*Hα-helixtrans-59.2-40.1174.21730000111.1S29 K35 E36 N37S29-V33 WeakPolarHBondContact O-CG2 3.4Å; S29-V33 PolarHBondContact O-N 2.88Å; V33-K35 PolarHBondContact O-N 3.2Å; V33-K35 VanDerWaalsContact O-N 3.16Å; V33-E36 PolarHBondContact O-N 2.99Å; V33-N37 WeakPolarHBondContact O-CB 3.45Å; V33-N37 PolarHBondContact O-N 2.62Å
34A53.4Low56.8Low73 Ų73104.4 Ų104.460%0.60359%0.593SS**Hα-helixtrans-64.6-15.7174.700000114.7N30 S32N30-A34 VanDerWaalsContact O-CB 3.27Å; N30-A34 WeakPolarHBondContact O-CB 3.22Å; N30-A34 PolarHBondContact O-N 3.19Å; S32-A34 VanDerWaalsContact C-N 3.29Å; S32-A34 PolarHBondContact O-N 3.39Å
35K51.3Low55.1Low165 Ų165103.8 Ų103.872%0.71761%0.612SS**Hα-helixtrans-93.8-35.5172.8-76.9-179.2174.7179.70112.9S32 V33S32-K35 WeakPolarHBondContact O-CB 3.48Å; S32-K35 PolarHBondContact O-N 3.27Å; V33-K35 PolarHBondContact O-N 3.2Å; V33-K35 VanDerWaalsContact O-N 3.16Å
36E45Very low53.2Low116 Ų116102.8 Ų102.854%0.54262%0.621SS.*Hα-helixtrans-73.9-33.8177.8-156.2-169.1162.800112.3S32 V33 S38 L39 H40S32-E36 PolarHBondContact O-N 2.97Å; V33-E36 PolarHBondContact O-N 2.99Å; E36-S38 PolarHBondContact O-N 3.44Å; E36-L39 CarbonylContact O-C 3.21Å; E36-L39 PolarHBondContact O-N 3Å; E36-H40 IonicContact OE1-CE1 3.78Å; E36-H40 IonicContact OE1-CG 3.98Å; E36-H40 IonicContact OE1-ND1 2.92Å; E36-H40 PolarHBondContact OE1-ND1 2.74Å
37N39.2Very low51.6Low144 Ų144108 Ų10877%0.7765%0.648SS**THydrogen-bonded Turntrans-66.51.2179.8-121.881.9000115V33V33-N37 WeakPolarHBondContact O-CB 3.45Å; V33-N37 PolarHBondContact O-N 2.62Å
38S43.4Very low50Low100 Ų100108.7 Ų108.770%0.69967%0.665SS**THydrogen-bonded Turntrans-101.3-10.1170.2-170.90000113.6E36E36-S38 PolarHBondContact O-N 3.44Å
39L49.5Very low48.4Very low132 Ų132108.7 Ų108.769%0.69167%0.673SS**SBendtrans-15174.9-174.4-76.7170.4000108.7E36E36-L39 CarbonylContact O-C 3.21Å; E36-L39 PolarHBondContact O-N 3Å
40H40.8Very low46.8Very low154 Ų154113.9 Ų113.971%0.71370%0.695SS**  trans177.392.3147.9-78.8143.1000110.3E36E36-H40 IonicContact OE1-CE1 3.78Å; E36-H40 IonicContact OE1-CG 3.98Å; E36-H40 IonicContact OE1-ND1 2.92Å; E36-H40 PolarHBondContact OE1-ND1 2.74Å
41S34.8Very low45.6Very low128 Ų128114.9 Ų114.990%0.89571%0.709SS**SBendtrans-133.790.4155.6-84.80000109.4
42A38.8Very low45.2Very low94 Ų94118.1 Ų118.178%0.77773%0.729SS**  trans49106.5156.700000119.3
43T44Very low44Very low141 Ų141121.8 Ų121.887%0.86574%0.743SS**  trans-75.1124.1140114.30000108.1
44T47.6Very low42.9Very low136 Ų136122.1 Ų122.183%0.83475%0.748SS**  trans-152.6130.9142.537.70000107
45G44.9Very low42.1Very low75 Ų75127.5 Ų127.577%0.77376%0.761SS**  trans-98.6167.8-163.200000115.6
46S36.6Very low41.5Very low123 Ų123125.8 Ų125.886%0.8676%0.76SS**  trans-164.4125146.6-87.40000108.6
47D43.6Very low41.7Very low147 Ų147125.8 Ų125.879%0.78677%0.77SS**  trans-88.6132.6165.2-159.8-45.4000106.9S49D47-S49 PolarHBondContact OD1-N 3.42Å
48P46.7Very low41.8Very low115 Ų115122.9 Ų122.975%0.74776%0.761SS**  -139.6124.6109.433.6-19.2000113.9
49S44.4Very low41.8Very low90 Ų90127.4 Ų127.463%0.62977%0.771SS**  trans0.6125.6138.8-178.30000116.9D47D47-S49 PolarHBondContact OD1-N 3.42Å
50L36Very low41.7Very low167 Ų167128.6 Ų128.687%0.87478%0.778SS**  -177.3134.8120.1-92.5171.9000110.2
51S38.9Very low42Very low111 Ų111129.3 Ų129.378%0.77679%0.787SS**  trans-91-173.5173.4-340000111
52P56.1Low42.7Very low120 Ų120127.6 Ų127.678%0.77978%0.781SS**  cis-134-150.9-11.939-17.8000112.7
53D30.6Very low43.1Very low149 Ų149133 Ų13380%0.79779%0.787SS**  trans98.4133.2159.4-147.1-106.5000117.1
54S36Very low43.2Very low84 Ų84132.8 Ų132.859%0.58778%0.78SS**  cis-162.9160.2-22.6-103.40000111.3
55Q35.8Very low43.1Very low187 Ų187132 Ų13287%0.87478%0.78SS**  trans63.5109.9156.2-70.3173.4-3500122
56D39.3Very low43.2Very low128 Ų128137 Ų13768%0.68478%0.783SS**  trans-82.1153138.6-17352.1000108.3S58D56-S58 PolarHBondContact OD1-N 3.49Å; D56-S58 PolarHBondContact OD2-N 3.49Å; D56-S58 PolarHBondContact OD2-OG 2.97Å
57P48Very low43.2Very low116 Ų116136.3 Ų136.375%0.75378%0.778SS**  -141.1124.595.331.4-13.3000115.6
58S42.7Very low43.2Very low83 Ų83133.4 Ų133.458%0.5878%0.775SS**  trans-21.6136.214242.20000117.4D56D56-S58 PolarHBondContact OD1-N 3.49Å; D56-S58 PolarHBondContact OD2-N 3.49Å; D56-S58 PolarHBondContact OD2-OG 2.97Å
59Q43Very low43Very low196 Ų196135.8 Ų135.892%0.91678%0.782SS**  trans-144.3115.6146.1-72.9-159.7-46.400110.4
60D47.4Very low43Very low157 Ų157137.4 Ų137.484%0.8479%0.787SS**  trans-77146.8157-75.2-70.2000109.5
61D46.3Very low43.1Very low169 Ų169134.8 Ų134.890%0.90478%0.783SS**  trans-156.1135.7148.4-116.9-39.8000112.3
62A49.1Very low43.2Very low92 Ų92136.6 Ų136.676%0.7678%0.784SS**  trans-121.3123.4176.700000109.6
63K47.7Very low42.6Very low208 Ų208138.4 Ų138.490%0.90478%0.779SS**  trans-141.5131.6171-156.977-179.8-167.30113.3
64D45.7Very low43.1Very low135 Ų135139 Ų13972%0.72278%0.777SS**  trans-64.5152.7174.5-159.9-75.8000112.7
65S46.8Very low43.1Very low119 Ų119138.3 Ų138.383%0.83278%0.783SS**  trans-165.598.1156.5-79.90000112.1
66E46.8Very low43Very low181 Ų181133.1 Ų133.185%0.84678%0.78SS**  trans-57.2134.7151.6177.7-168.991.900111
67S36.2Very low43.2Very low108 Ų108132.3 Ų132.376%0.75578%0.784SS**  trans-160.1136.3142.654.60000111.1
68A44.4Very low42.7Very low86 Ų86134.9 Ų134.971%0.71179%0.792SS**  trans-80.9153.117000000110.5
69N41.1Very low42.9Very low166 Ų166139.4 Ų139.489%0.88880%0.804SS**  trans-145.6145.8149.2-106.1-56.7000111.6
70V44.7Very low43.1Very low124 Ų124138 Ų13875%0.75280%0.803SS**  trans-113.4147.7-169.9-72.60000111.3
71S39.4Very low42.9Very low111 Ų111137.1 Ų137.178%0.77680%0.798SS**  trans169.1119.3151.9-76.30000106.3
72D40.1Very low43.1Very low149 Ų149135 Ų13580%0.79779%0.787SS**  51132.568.7-83.4-67.9000112.7
73K44.2Very low43.3Very low158 Ų158139 Ų13969%0.68779%0.79SS**  cis-161.8154.422-139.3-157.6167-170.30112.3
74E40.6Very low43.1Very low162 Ų162134.6 Ų134.676%0.75778%0.776SS**  trans54.1154.1157.8-57.7-56.913500119.8
75G36.2Very low43.3Very low69 Ų69134.4 Ų134.471%0.71177%0.774SS**  cis171.7137-3.600000108.7
76G33.7Very low43.6Very low78 Ų78132.1 Ų132.180%0.80477%0.77SS**  trans-170.181.5-171.200000113.1
77S42.6Very low44Very low111 Ų111127 Ų12778%0.77676%0.759SS**  trans-61.1139.2-175.9-47.40000113.5
78N37.8Very low44.8Very low170 Ų170130.1 Ų130.191%0.90976%0.758SS**  trans-156.382.8150.9-96.3-48.8000108.8
79E48Very low45.5Very low178 Ų178137.2 Ų137.283%0.83277%0.767SS**  trans-80.3109165.3-60.5178.9127.300108.1
80N45.8Very low47Very low167 Ų167140.6 Ų140.689%0.89377%0.767SS**  trans175.8104150.9-104.3-75.4000110.3
81D44.1Very low48.5Very low138 Ų138137.5 Ų137.574%0.73876%0.76SS**  trans160.981.2132.3-170-117.2000109.3
82D49.2Very low50.7Low126 Ų126138.6 Ų138.667%0.67477%0.765SS**  trans-105.466.9175.2-149.2-47.1000110.5L85D82-L85 WeakPolarHBondContact OD1-CD1 3.36Å
83Q54.8Low53Low176 Ų176142.6 Ų142.682%0.82277%0.769SS**  trans-137.636.3174.2-69.8-158.434.200114.5
84N42.2Very low55.4Low115 Ų115138.5 Ų138.562%0.61576%0.757SS**  trans-155.762161.9-150.2-36.7000116G86N84-G86 PolarHBondContact O-N 3.37Å
85L51.3Low58Low130 Ų130136.5 Ų136.568%0.68176%0.756SS**THydrogen-bonded Turntrans-76.44.1177.7-63.2-179.6000115D82D82-L85 WeakPolarHBondContact OD1-CD1 3.36Å
86G51.6Low60.9Low72 Ų72135.1 Ų135.174%0.74273%0.732SS**THydrogen-bonded Turntrans-83.1-35.917500000114.5N84 K88N84-G86 PolarHBondContact O-N 3.37Å; G86-K88 PolarHBondContact O-N 3.46Å
87A56.3Low63.9Low74 Ų74138.6 Ų138.661%0.61273%0.725SS**SBendtrans-97.671.2-172.800000112.8R89A87-R89 PolarHBondContact O-N 3.38Å
88K53.3Low66.5Low172 Ų172136.8 Ų136.875%0.74872%0.717SS**  trans-63.490.7-172.9-73.7178.2178.2174.60115.1G86 R90G86-K88 PolarHBondContact O-N 3.46Å; K88-R90 VanDerWaalsContact C-N 3.34Å; K88-R90 PolarHBondContact O-N 2.92Å
89R59.1Low69.4Low236 Ų236136.3 Ų136.389%0.89171%0.706SS**  trans6021.6131.3-60.5-77.2164.9172.4-7.6118.1A87A87-R89 PolarHBondContact O-N 3.38Å
90R71.6Confident71.8Confident236 Ų236129.3 Ų129.389%0.89167%0.674SS**  trans-88.5108.9162.1-65.9-174.9-175.3-119.9-0.3108.3K88K88-R90 VanDerWaalsContact C-N 3.34Å; K88-R90 PolarHBondContact O-N 2.92Å
91G77Confident74.3Confident59 Ų59124 Ų12461%0.60865%0.645SS**  trans-59.1168175.600000112.8R93G91-R93 PolarHBondContact O-N 3.36Å
92P85.5Confident76.9Confident135 Ų135123.2 Ų123.288%0.87764%0.637SS**  trans-48.6124.8-173.9-29.135.3000112.5T94P92-T94 PolarHBondContact O-N 2.85Å
93R89.1Confident79.2Confident232 Ų232118.6 Ų118.688%0.87561%0.613SS**  trans-72.1115.4-176.4-173.4-177-177.698.6-0.9109.6G91 T95G91-R93 PolarHBondContact O-N 3.36Å; R93-T95 PolarHBondContact O-N 3.22Å
94T93.3Very high81.3Confident73 Ų73110.2 Ų110.245%0.44857%0.574SS.*PPolyproline II helixtrans-67.3123.7174.2-42.60000111P92 L128 V132P92-T94 PolarHBondContact O-N 2.85Å; T94-L128 HydrophobicContact CG2-CD2 4.09Å; T94-V132 HydrophobicContact CG2-CG1 4.31Å; T94-V132 HydrophobicContact CG2-CG2 4.26Å
95T95.6Very high83.9Confident120 Ų120110.2 Ų110.274%0.73657%0.569SS**PPolyproline II helixtrans-91.1130167.6-60.90000109.2R93R93-T95 PolarHBondContact O-N 3.22Å
96I96.6Very high86.2Confident39 Ų39107.1 Ų107.120%0.256%0.562CS.*PPolyproline II helixtrans-98.8124.7179.8-54.4173.4000108.2Q100 L101 L104 L128 V132 W136I96-Q100 HydrophobicContact CG2-CB 3.69Å; I96-L101 HydrophobicContact CB-CD2 4.19Å; I96-L101 HydrophobicContact CB-CG 4.37Å; I96-L101 HydrophobicContact CG2-CD2 3.74Å; I96-L101 HydrophobicContact CG2-CG 3.78Å; I96-L104 HydrophobicContact CG2-CD1 4.21Å; I96-L128 HydrophobicContact CG1-CD1 4.29Å; I96-L128 HydrophobicContact CG2-CD1 3.94Å; I96-V132 HydrophobicContact CD1-CG1 3.99Å; I96-V132 HydrophobicContact CG1-CG1 4.26Å; I96-W136 HydrophobicContact CD1-CG 4.31Å
97K97.7Very high88.4Confident152 Ų152104.6 Ų104.666%0.66153%0.534SS*.PPolyproline II helixtrans-74.6159.8-178.2-60.1-176.6178.9-177.50111.7K99 Q100 L101K97-K99 PolarHBondContact O-N 3.06Å; K97-Q100 HydrophobicContact CB-CG 4.32Å; K97-Q100 WeakPolarHBondContact O-CB 3.41Å; K97-Q100 PolarHBondContact O-N 3.46Å; K97-Q100 VanDerWaalsContact O-N 3.12Å; K97-L101 PolarHBondContact O-N 3.49Å
98A97.3Very high90.4Very high72 Ų72101.7 Ų101.760%0.59551%0.507SS*.Hα-helixtrans-53-54.9-179.100000113.3Q100 L101 E102A98-Q100 VanDerWaalsContact C-N 3.28Å; A98-Q100 PolarHBondContact O-N 3Å; A98-L101 WeakPolarHBondContact O-CA 3.47Å; A98-L101 WeakPolarHBondContact O-CB 3.36Å; A98-L101 PolarHBondContact O-N 3.24Å; A98-E102 PolarHBondContact O-N 3.12Å
99K97.7Very high92.5Very high160 Ų16097.5 Ų97.570%0.69651%0.505SS*.Hα-helixtrans-54.2-40.4176.2-176179.8177.8-178.30113.2K97 E102 T103K97-K99 PolarHBondContact O-N 3.06Å; K99-E102 PolarHBondContact O-N 3.13Å; K99-T103 PolarHBondContact O-N 3.31Å
100Q98.2Very high94.3Very high32 Ų3290.1 Ų90.115%0.1550%0.495CS..Hα-helixtrans-67.3-37.2177.1-62.7168.9-35.400111.4I96 K97 A98 E102 L104 T126 L128I96-Q100 HydrophobicContact CG2-CB 3.69Å; K97-Q100 HydrophobicContact CB-CG 4.32Å; K97-Q100 WeakPolarHBondContact O-CB 3.41Å; K97-Q100 PolarHBondContact O-N 3.46Å; K97-Q100 VanDerWaalsContact O-N 3.12Å; A98-Q100 VanDerWaalsContact C-N 3.28Å; A98-Q100 PolarHBondContact O-N 3Å; Q100-E102 VanDerWaalsContact C-N 3.3Å; Q100-E102 PolarHBondContact O-N 3.33Å; Q100-L104 WeakPolarHBondContact O-CB 3.46Å; Q100-L104 WeakPolarHBondContact O-CD1 3.33Å; Q100-L104 WeakPolarHBondContact O-CG 3.37Å; Q100-L104 PolarHBondContact O-N 3.06Å; Q100-L104 VanDerWaalsContact O-N 3.13Å; Q100-T126 HydrophobicContact CB-CG2 4.26Å; Q100-T126 HydrophobicContact CG-CG2 4.47Å; Q100-T126 PolarHBondContact NE2-O 3.2Å; Q100-L128 HydrophobicContact CB-CD1 4.28Å
101L98.4Very high95.5Very high55 Ų5581.5 Ų81.529%0.28847%0.468SS..Hα-helixtrans-66.2-31.1174.5-69.9170.2000112.5I96 K97 A98 K105 W136I96-L101 HydrophobicContact CB-CD2 4.19Å; I96-L101 HydrophobicContact CB-CG 4.37Å; I96-L101 HydrophobicContact CG2-CD2 3.74Å; I96-L101 HydrophobicContact CG2-CG 3.78Å; K97-L101 PolarHBondContact O-N 3.49Å; A98-L101 WeakPolarHBondContact O-CA 3.47Å; A98-L101 WeakPolarHBondContact O-CB 3.36Å; A98-L101 PolarHBondContact O-N 3.24Å; L101-K105 WeakPolarHBondContact O-CB 3.08Å; L101-K105 WeakPolarHBondContact O-CG 3.49Å; L101-K105 PolarHBondContact O-N 3.41Å; L101-W136 HydrophobicContact CD2-CZ2 4.43Å; L101-W136 VanDerWaalsContact CD2-NE1 3.34Å
102E98.3Very high96.4Very high122 Ų12281.5 Ų81.557%0.5746%0.458SS*.Hα-helixtrans-66.5-52.5176.3-70.7166.2173.100111.3A98 K99 Q100 L104 K105 A106A98-E102 PolarHBondContact O-N 3.12Å; K99-E102 PolarHBondContact O-N 3.13Å; Q100-E102 VanDerWaalsContact C-N 3.3Å; Q100-E102 PolarHBondContact O-N 3.33Å; E102-L104 VanDerWaalsContact C-N 3.28Å; E102-L104 PolarHBondContact O-N 3.22Å; E102-K105 PolarHBondContact O-N 2.99Å; E102-K105 VanDerWaalsContact O-N 3.12Å; E102-A106 PolarHBondContact O-N 2.96Å
103T98.1Very high97Very high28 Ų2883.1 Ų83.117%0.17245%0.451CS..Hα-helixtrans-53.2-46.5172.7-57.70000111.3K99 K105 A106 A107 L122 E125 T126K99-T103 PolarHBondContact O-N 3.31Å; T103-K105 PolarHBondContact O-N 3.3Å; T103-A106 PolarHBondContact O-N 3.28Å; T103-A107 PolarHBondContact O-N 2.74Å; T103-L122 HydrophobicContact CG2-CD2 3.56Å; T103-E125 VanDerWaalsContact CG2-CD 3.43Å; T103-E125 WeakPolarHBondContact CG2-OE1 3.48Å; T103-E125 WeakPolarHBondContact CG2-OE2 3.41Å; T103-E125 PolarHBondContact OG1-OE1 3.42Å; T103-E125 VanDerWaalsContact OG1-OE1 3.06Å; T103-T126 HydrophobicContact CG2-CG2 4.18Å
104L98.5Very high97.4Very high0 Ų072.6 Ų72.60%041%0.413CS..Hα-helixtrans-64.7-37.2179.2-71.3171.4000113.3I96 Q100 E102 F108 L122 L128 I133 W136 F137I96-L104 HydrophobicContact CG2-CD1 4.21Å; Q100-L104 WeakPolarHBondContact O-CB 3.46Å; Q100-L104 WeakPolarHBondContact O-CD1 3.33Å; Q100-L104 WeakPolarHBondContact O-CG 3.37Å; Q100-L104 PolarHBondContact O-N 3.06Å; Q100-L104 VanDerWaalsContact O-N 3.13Å; E102-L104 VanDerWaalsContact C-N 3.28Å; E102-L104 PolarHBondContact O-N 3.22Å; L104-F108 WeakPolarHBondContact O-CB 3.21Å; L104-F108 PolarHBondContact O-N 3.07Å; L104-L122 HydrophobicContact CD2-CD1 4.46Å; L104-L128 HydrophobicContact CD1-CD1 4.24Å; L104-I133 HydrophobicContact CD2-CD1 3.82Å; L104-I133 HydrophobicContact CD2-CG2 4.42Å; L104-W136 HydrophobicContact CB-CD2 4.18Å; L104-W136 HydrophobicContact CB-CE3 4.06Å; L104-W136 HydrophobicContact CB-CH2 3.7Å; L104-W136 HydrophobicContact CB-CZ2 3.79Å; L104-W136 HydrophobicContact CB-CZ3 3.83Å; L104-W136 HydrophobicContact CD1-CD2 3.98Å; L104-W136 HydrophobicContact CD1-CE3 4.47Å; L104-W136 HydrophobicContact CD1-CG 4.07Å; L104-W136 HydrophobicContact CD2-CE3 4.33Å; L104-W136 WeakPolarHBondContact O-CH2 3.34Å; L104-W136 WeakPolarHBondContact O-CZ3 3.23Å; L104-F137 HydrophobicContact CD2-CE2 3.77Å
105K98.3Very high97.6Very high115 Ų11573 Ų7350%0.542%0.415SS..Hα-helixtrans-66.7-44.5174.2-77.5169.9-178.2-1770111.3L101 E102 T103 F108 A109L101-K105 WeakPolarHBondContact O-CB 3.08Å; L101-K105 WeakPolarHBondContact O-CG 3.49Å; L101-K105 PolarHBondContact O-N 3.41Å; E102-K105 PolarHBondContact O-N 2.99Å; E102-K105 VanDerWaalsContact O-N 3.12Å; T103-K105 PolarHBondContact O-N 3.3Å; K105-F108 WeakPolarHBondContact O-CB 3.46Å; K105-F108 PolarHBondContact O-N 3.43Å; K105-A109 PolarHBondContact O-N 3.39Å
106A98.2Very high97.7Very high66 Ų6675.6 Ų75.655%0.54541%0.411SS..Hα-helixtrans-60.9-48.2178.600000111.2E102 T103 F108 A109 A110E102-A106 PolarHBondContact O-N 2.96Å; T103-A106 PolarHBondContact O-N 3.28Å; A106-F108 VanDerWaalsContact C-N 3.3Å; A106-F108 PolarHBondContact O-N 3.22Å; A106-A109 PolarHBondContact O-N 2.88Å; A106-A110 PolarHBondContact O-N 3.46Å
107A98.1Very high97.8Very high18 Ų1880 Ų8015%0.14943%0.431CS..Hα-helixtrans-63.2-33.9175.900000113.3T103 A110 T111 L122 F137T103-A107 PolarHBondContact O-N 2.74Å; A107-A110 PolarHBondContact O-N 2.81Å; A107-T111 PolarHBondContact O-N 3.34Å; A107-L122 HydrophobicContact CB-CD1 3.81Å; A107-L122 HydrophobicContact CB-CD2 3.91Å; A107-L122 HydrophobicContact CB-CG 4.44Å; A107-F137 HydrophobicContact CB-CZ 4.21Å
108F98.4Very high97.9Very high13 Ų1375.2 Ų75.26%0.05741%0.412CS..Hα-helixtrans-67.1-37.8174.3-175.8-88.2000113L104 K105 A106 A110 T111 P112 W136 F137 R140 R141 E144L104-F108 WeakPolarHBondContact O-CB 3.21Å; L104-F108 PolarHBondContact O-N 3.07Å; K105-F108 WeakPolarHBondContact O-CB 3.46Å; K105-F108 PolarHBondContact O-N 3.43Å; A106-F108 VanDerWaalsContact C-N 3.3Å; A106-F108 PolarHBondContact O-N 3.22Å; F108-A110 VanDerWaalsContact C-N 3.31Å; F108-T111 CarbonylContact O-C 3.33Å; F108-P112 HydrophobicContact CD2-CB 4.42Å; F108-P112 HydrophobicContact CE1-CB 4.46Å; F108-P112 HydrophobicContact CE2-CB 3.86Å; F108-P112 HydrophobicContact CZ-CB 3.88Å; F108-P112 HydrophobicContact CZ-CG 4.41Å; F108-W136 HydrophobicContact CB-CH2 4.33Å; F108-W136 HydrophobicContact CB-CZ3 4.19Å; F108-W136 HydrophobicContact CD2-CZ3 4.4Å; F108-F137 HydrophobicContact CB-CE1 3.88Å; F108-F137 HydrophobicContact CB-CZ 4.49Å; F108-F137 AromaticContact CD2-CD1 3.79Å; F108-F137 HydrophobicContact CD2-CD1 3.79Å; F108-F137 AromaticContact CD2-CE1 3.83Å; F108-F137 HydrophobicContact CD2-CE1 3.83Å; F108-F137 HydrophobicContact CG-CE1 4.37Å; F108-R140 HydrophobicContact CD1-CG 4.22Å; F108-R140 HydrophobicContact CD2-CB 4.26Å; F108-R140 HydrophobicContact CD2-CG 3.57Å; F108-R140 HydrophobicContact CE1-CG 4.1Å; F108-R140 HydrophobicContact CE2-CB 4.07Å; F108-R140 HydrophobicContact CE2-CG 3.43Å; F108-R140 VanDerWaalsContact CE2-CG 3.43Å; F108-R140 HydrophobicContact CG-CG 3.97Å; F108-R140 HydrophobicContact CZ-CG 3.73Å; F108-R141 HydrophobicContact CE2-CG 3.79Å; F108-R141 HydrophobicContact CZ-CG 4.31Å; F108-E144 WeakPolarHBondContact CE1-OE1 3.38Å; F108-E144 WeakPolarHBondContact CZ-OE1 3.4Å
109A97.8Very high97.9Very high85 Ų8574.4 Ų74.470%0.70239%0.394SS*.Hα-helixtrans-64.5-36.9175.800000111.8K105 A106K105-A109 PolarHBondContact O-N 3.39Å; A106-A109 PolarHBondContact O-N 2.88Å
110A97.4Very high98Very high81 Ų8169.1 Ų69.167%0.66937%0.371SS*.Hα-helixtrans-70.8-52.2173.400000112.5A106 A107 F108A106-A110 PolarHBondContact O-N 3.46Å; A107-A110 PolarHBondContact O-N 2.81Å; F108-A110 VanDerWaalsContact C-N 3.31Å
111T95.4Very high98Very high55 Ų5572.8 Ų72.834%0.33739%0.388SS..  trans-140.6113.5175.6630000112A107 F108 K113A107-T111 PolarHBondContact O-N 3.34Å; F108-T111 CarbonylContact O-C 3.33Å; T111-K113 PolarHBondContact O-N 2.93Å; T111-K113 VanDerWaalsContact O-N 3.14Å
112P96.6Very high98Very high59 Ų5970.5 Ų70.538%0.38338%0.376SS..SBendtrans-63.5-20.8176.3-27.736.4000113.9F108 R141F108-P112 HydrophobicContact CD2-CB 4.42Å; F108-P112 HydrophobicContact CE1-CB 4.46Å; F108-P112 HydrophobicContact CE2-CB 3.86Å; F108-P112 HydrophobicContact CZ-CB 3.88Å; F108-P112 HydrophobicContact CZ-CG 4.41Å; P112-R141 VanDerWaalsContact O-CD 3.28Å; P112-R141 WeakPolarHBondContact O-CD 3.49Å; P112-R141 PolarHBondContact O-NH1 3.03Å
113K97.6Very high98Very high168 Ų16865.5 Ų65.573%0.7336%0.356SS*.SBendtrans-121.476.7176.4-68.2-179.9-180176.60110.1T111T111-K113 PolarHBondContact O-N 2.93Å; T111-K113 VanDerWaalsContact O-N 3.14Å
114P97.6Very high98Very high12 Ų1271.6 Ų71.68%0.07838%0.382CS..  trans-65.1145.2179.828.8-37.6000111.7I118 R119 F137P114-I118 HydrophobicContact CB-CB 4Å; P114-I118 HydrophobicContact CB-CG2 3.66Å; P114-R119 HydrophobicContact CB-CG 4.13Å; P114-R119 HydrophobicContact CG-CG 3.83Å; P114-F137 HydrophobicContact CG-CD1 3.59Å; P114-F137 HydrophobicContact CG-CD2 3.98Å; P114-F137 HydrophobicContact CG-CE1 3.57Å; P114-F137 HydrophobicContact CG-CE2 3.98Å; P114-F137 HydrophobicContact CG-CG 3.8Å; P114-F137 HydrophobicContact CG-CZ 3.79Å
115T98.4Very high98Very high80 Ų8077.4 Ų77.449%0.49141%0.409SS..  trans-64.9176.3176.664.70000111.7I118 R119T115-I118 HydrophobicContact CG2-CD1 4.39Å; T115-I118 WeakPolarHBondContact OG1-CG1 3.45Å; T115-I118 PolarHBondContact OG1-N 3.2Å; T115-R119 WeakPolarHBondContact O-CG 3.35Å; T115-R119 PolarHBondContact O-N 3.04Å; T115-R119 PolarHBondContact O-NE 3.44Å
116R98.1Very high97.9Very high175 Ų17572.4 Ų72.466%0.6639%0.389SS*.Hα-helixtrans-60.7-49.1173.4-178.5178.1-179.3-93.717.3110.8I118 R119 E120R116-I118 PolarHBondContact O-N 2.89Å; R116-R119 WeakPolarHBondContact O-CB 3.34Å; R116-R119 PolarHBondContact O-N 3.19Å; R116-R119 VanDerWaalsContact O-N 3.11Å; R116-E120 WeakPolarHBondContact CG-OE1 3.38Å; R116-E120 IonicContact CZ-OE1 2.89Å; R116-E120 IonicContact NE-OE1 3.23Å; R116-E120 PolarHBondContact NE-OE1 3.14Å; R116-E120 IonicContact NH1-OE1 2.68Å; R116-E120 PolarHBondContact NH1-OE1 3Å; R116-E120 IonicContact NH1-OE2 3.38Å; R116-E120 PolarHBondContact NH1-OE2 3.24Å; R116-E120 IonicContact NH2-OE1 3.58Å; R116-E120 WeakPolarHBondContact O-CG 3.46Å; R116-E120 PolarHBondContact O-N 3.36Å
117H98.4Very high97.9Very high132 Ų13272.5 Ų72.561%0.61140%0.396SS*.Hα-helixtrans-59.7-45.8-179.3-175.264.7000113.2R119 E120 Q121H117-R119 VanDerWaalsContact C-N 3.26Å; H117-R119 PolarHBondContact O-N 3.06Å; H117-E120 WeakPolarHBondContact O-CA 3.34Å; H117-E120 WeakPolarHBondContact O-CB 3.45Å; H117-E120 PolarHBondContact O-N 2.91Å; H117-Q121 PolarHBondContact O-N 3.12Å
118I98.3Very high97.9Very high52 Ų5272.2 Ų72.227%0.26739%0.392SS..Hα-helixtrans-61-37.9176.5-65.6167.7000110.8P114 T115 R116 E120 L122P114-I118 HydrophobicContact CB-CB 4Å; P114-I118 HydrophobicContact CB-CG2 3.66Å; T115-I118 HydrophobicContact CG2-CD1 4.39Å; T115-I118 WeakPolarHBondContact OG1-CG1 3.45Å; T115-I118 PolarHBondContact OG1-N 3.2Å; R116-I118 PolarHBondContact O-N 2.89Å; I118-E120 VanDerWaalsContact C-N 3.3Å; I118-E120 PolarHBondContact O-N 3.44Å; I118-L122 HydrophobicContact CG2-CD1 4Å; I118-L122 HydrophobicContact CG2-CG 4.45Å; I118-L122 WeakPolarHBondContact O-CB 3.41Å; I118-L122 WeakPolarHBondContact O-CG 3.36Å; I118-L122 PolarHBondContact O-N 3.33Å
119R98.6Very high97.9Very high55 Ų5576.6 Ų76.621%0.20842%0.416CS..Hα-helixtrans-68.5-28.9175.2-70.5-177.4-76.7146-5.7112.8P114 T115 R116 H117 A123 M130 I133P114-R119 HydrophobicContact CB-CG 4.13Å; P114-R119 HydrophobicContact CG-CG 3.83Å; T115-R119 WeakPolarHBondContact O-CG 3.35Å; T115-R119 PolarHBondContact O-N 3.04Å; T115-R119 PolarHBondContact O-NE 3.44Å; R116-R119 WeakPolarHBondContact O-CB 3.34Å; R116-R119 PolarHBondContact O-N 3.19Å; R116-R119 VanDerWaalsContact O-N 3.11Å; H117-R119 VanDerWaalsContact C-N 3.26Å; H117-R119 PolarHBondContact O-N 3.06Å; R119-A123 WeakPolarHBondContact O-CB 3.45Å; R119-A123 PolarHBondContact O-N 2.84Å; R119-M130 HydrophobicContact CB-CE 4.27Å; R119-M130 HydrophobicContact CB-SD 3.84Å; R119-M130 WeakPolarHBondContact O-CE 3.49Å; R119-I133 HydrophobicContact CB-CG2 4.04Å; R119-I133 HydrophobicContact CG-CG2 3.89Å
120E98.5Very high97.8Very high49 Ų4975.3 Ų75.323%0.22940%0.396CS..Hα-helixtrans-70.6-46.2175.6-72.4162.3172.100111.1R116 H117 I118 L122 A123 Q124 M130R116-E120 WeakPolarHBondContact CG-OE1 3.38Å; R116-E120 IonicContact CZ-OE1 2.89Å; R116-E120 IonicContact NE-OE1 3.23Å; R116-E120 PolarHBondContact NE-OE1 3.14Å; R116-E120 IonicContact NH1-OE1 2.68Å; R116-E120 PolarHBondContact NH1-OE1 3Å; R116-E120 IonicContact NH1-OE2 3.38Å; R116-E120 PolarHBondContact NH1-OE2 3.24Å; R116-E120 IonicContact NH2-OE1 3.58Å; R116-E120 WeakPolarHBondContact O-CG 3.46Å; R116-E120 PolarHBondContact O-N 3.36Å; H117-E120 WeakPolarHBondContact O-CA 3.34Å; H117-E120 WeakPolarHBondContact O-CB 3.45Å; H117-E120 PolarHBondContact O-N 2.91Å; I118-E120 VanDerWaalsContact C-N 3.3Å; I118-E120 PolarHBondContact O-N 3.44Å; E120-L122 PolarHBondContact O-N 3.46Å; E120-A123 PolarHBondContact O-N 3.37Å; E120-Q124 WeakPolarHBondContact O-CG 3.44Å; E120-Q124 PolarHBondContact O-N 2.87Å; E120-M130 HydrophobicContact CB-CE 4.13Å; E120-M130 HydrophobicContact CG-CE 3.43Å; E120-M130 VanDerWaalsContact CG-CE 3.43Å
121Q98.4Very high97.8Very high108 Ų10880 Ų8051%0.50540%0.396SS..Hα-helixtrans-57.8-47.8171.8-172.7179.66.300111.5H117 A123 Q124 E125H117-Q121 PolarHBondContact O-N 3.12Å; Q121-A123 VanDerWaalsContact C-N 3.33Å; Q121-A123 PolarHBondContact O-N 3.49Å; Q121-Q124 PolarHBondContact O-N 3.11Å; Q121-E125 WeakPolarHBondContact O-CB 3.35Å; Q121-E125 PolarHBondContact O-N 2.94Å
122L98.5Very high97.9Very high8 Ų878.8 Ų78.84%0.04239%0.388CS..Hα-helixtrans-63.2-35.7177.7-70.5170.1000113.2T103 L104 A107 I118 E120 T126 I133 F137T103-L122 HydrophobicContact CG2-CD2 3.56Å; L104-L122 HydrophobicContact CD2-CD1 4.46Å; A107-L122 HydrophobicContact CB-CD1 3.81Å; A107-L122 HydrophobicContact CB-CD2 3.91Å; A107-L122 HydrophobicContact CB-CG 4.44Å; I118-L122 HydrophobicContact CG2-CD1 4Å; I118-L122 HydrophobicContact CG2-CG 4.45Å; I118-L122 WeakPolarHBondContact O-CB 3.41Å; I118-L122 WeakPolarHBondContact O-CG 3.36Å; I118-L122 PolarHBondContact O-N 3.33Å; E120-L122 PolarHBondContact O-N 3.46Å; L122-T126 WeakPolarHBondContact O-CB 3.22Å; L122-T126 WeakPolarHBondContact O-CG2 3.37Å; L122-T126 PolarHBondContact O-N 2.78Å; L122-T126 PolarHBondContact O-OG1 2.99Å; L122-I133 HydrophobicContact CB-CD1 4.28Å; L122-I133 HydrophobicContact CB-CG2 4.35Å; L122-F137 HydrophobicContact CD1-CE2 3.83Å; L122-F137 HydrophobicContact CD1-CZ 4Å
123A98.4Very high98Very high16 Ų1676 Ų7613%0.13237%0.37CS..Hα-helixtrans-65-40.5175.100000111.7R119 E120 Q121 G127 L128 M130 I133R119-A123 WeakPolarHBondContact O-CB 3.45Å; R119-A123 PolarHBondContact O-N 2.84Å; E120-A123 PolarHBondContact O-N 3.37Å; Q121-A123 VanDerWaalsContact C-N 3.33Å; Q121-A123 PolarHBondContact O-N 3.49Å; A123-G127 CarbonylContact O-C 3.6Å; A123-G127 VanDerWaalsContact O-CA 3.31Å; A123-G127 WeakPolarHBondContact O-CA 3.18Å; A123-G127 PolarHBondContact O-N 3.43Å; A123-L128 WeakPolarHBondContact CA-O 3.28Å; A123-L128 VanDerWaalsContact CB-O 3.3Å; A123-L128 WeakPolarHBondContact CB-O 3.42Å; A123-L128 PolarHBondContact O-N 2.79Å; A123-M130 HydrophobicContact CB-CE 3.95Å; A123-I133 HydrophobicContact CB-CG1 4.12Å
124Q98.4Very high98Very high157 Ų15771.7 Ų71.773%0.73435%0.353SS*.Hα-helixtrans-67.3-51.2175.6-66.6169.916.300111.6E120 Q121 T126 G127E120-Q124 WeakPolarHBondContact O-CG 3.44Å; E120-Q124 PolarHBondContact O-N 2.87Å; Q121-Q124 PolarHBondContact O-N 3.11Å; Q124-T126 PolarHBondContact O-N 3.44Å; Q124-G127 PolarHBondContact O-N 2.9Å
125E97.8Very high98.1Very high121 Ų12174 Ų7457%0.56537%0.367SS*.Hα-helixtrans-63.6-40.8-177.5-167.8-162.6142.900112.5T103 Q121T103-E125 VanDerWaalsContact CG2-CD 3.43Å; T103-E125 WeakPolarHBondContact CG2-OE1 3.48Å; T103-E125 WeakPolarHBondContact CG2-OE2 3.41Å; T103-E125 PolarHBondContact OG1-OE1 3.42Å; T103-E125 VanDerWaalsContact OG1-OE1 3.06Å; Q121-E125 WeakPolarHBondContact O-CB 3.35Å; Q121-E125 PolarHBondContact O-N 2.94Å
126T97.6Very high98Very high11 Ų1171.9 Ų71.97%0.06735%0.35CS..Hα-helixtrans-87.9-15.3-179.364.60000113.7Q100 T103 L122 Q124 L128Q100-T126 HydrophobicContact CB-CG2 4.26Å; Q100-T126 HydrophobicContact CG-CG2 4.47Å; Q100-T126 PolarHBondContact NE2-O 3.2Å; T103-T126 HydrophobicContact CG2-CG2 4.18Å; L122-T126 WeakPolarHBondContact O-CB 3.22Å; L122-T126 WeakPolarHBondContact O-CG2 3.37Å; L122-T126 PolarHBondContact O-N 2.78Å; L122-T126 PolarHBondContact O-OG1 2.99Å; Q124-T126 PolarHBondContact O-N 3.44Å; T126-L128 PolarHBondContact O-N 3Å; T126-L128 WeakPolarHBondContact OG1-CB 3.39Å; T126-L128 WeakPolarHBondContact OG1-CG 3.21Å; T126-L128 PolarHBondContact OG1-N 2.87Å
127G98.1Very high98.1Very high67 Ų6763.7 Ų63.769%0.69132%0.319SS*.THydrogen-bonded Turntrans67.219.4-171.300000114.2A123 Q124A123-G127 CarbonylContact O-C 3.6Å; A123-G127 VanDerWaalsContact O-CA 3.31Å; A123-G127 WeakPolarHBondContact O-CA 3.18Å; A123-G127 PolarHBondContact O-N 3.43Å; Q124-G127 PolarHBondContact O-N 2.9Å
128L97.6Very high98.1Very high13 Ų1361.7 Ų61.77%0.06831%0.31CS..  trans-97143.1179.9-61.6171.6000111.1T94 I96 Q100 L104 A123 T126 M130 I133T94-L128 HydrophobicContact CG2-CD2 4.09Å; I96-L128 HydrophobicContact CG1-CD1 4.29Å; I96-L128 HydrophobicContact CG2-CD1 3.94Å; Q100-L128 HydrophobicContact CB-CD1 4.28Å; L104-L128 HydrophobicContact CD1-CD1 4.24Å; A123-L128 WeakPolarHBondContact CA-O 3.28Å; A123-L128 VanDerWaalsContact CB-O 3.3Å; A123-L128 WeakPolarHBondContact CB-O 3.42Å; A123-L128 PolarHBondContact O-N 2.79Å; T126-L128 PolarHBondContact O-N 3Å; T126-L128 WeakPolarHBondContact OG1-CB 3.39Å; T126-L128 WeakPolarHBondContact OG1-CG 3.21Å; T126-L128 PolarHBondContact OG1-N 2.87Å; L128-M130 PolarHBondContact O-N 2.92Å; L128-I133 HydrophobicContact CB-CD1 3.92Å; L128-I133 HydrophobicContact CB-CG1 4.37Å; L128-I133 HydrophobicContact CD1-CD1 4.07Å
129N97.6Very high98.1Very high104 Ų10464 Ų6456%0.55632%0.323SS*.  trans-57.9138.3175.4-175.9-55.8000111.1R131 V132 I133N129-R131 PolarHBondContact O-N 2.97Å; N129-R131 PolarHBondContact OD1-N 2.95Å; N129-V132 HydrophobicContact CB-CG2 4.17Å; N129-V132 WeakPolarHBondContact O-CA 3.48Å; N129-V132 VanDerWaalsContact O-CB 3.31Å; N129-V132 WeakPolarHBondContact O-CB 3.31Å; N129-V132 PolarHBondContact O-N 3.03Å; N129-I133 PolarHBondContact O-N 2.99Å
130M97.6Very high98Very high58 Ų5866 Ų6629%0.28633%0.33SS..Hα-helixtrans-41.3-43.8175.418050.755.100114.3R119 E120 A123 L128 V132 I133 Q134R119-M130 HydrophobicContact CB-CE 4.27Å; R119-M130 HydrophobicContact CB-SD 3.84Å; R119-M130 WeakPolarHBondContact O-CE 3.49Å; E120-M130 HydrophobicContact CB-CE 4.13Å; E120-M130 HydrophobicContact CG-CE 3.43Å; E120-M130 VanDerWaalsContact CG-CE 3.43Å; A123-M130 HydrophobicContact CB-CE 3.95Å; L128-M130 PolarHBondContact O-N 2.92Å; M130-V132 VanDerWaalsContact C-N 3.34Å; M130-V132 PolarHBondContact O-N 2.94Å; M130-I133 PolarHBondContact O-N 2.99Å; M130-Q134 WeakPolarHBondContact O-CB 3.27Å; M130-Q134 PolarHBondContact O-N 3.43Å
131R96.6Very high98Very high181 Ų18167.4 Ų67.468%0.68333%0.333SS*.Hα-helixtrans-66-34.5178.9-177.3174.5-79128.1-6.3112.2N129 Q134 V135N129-R131 PolarHBondContact O-N 2.97Å; N129-R131 PolarHBondContact OD1-N 2.95Å; R131-Q134 PolarHBondContact O-N 3.17Å; R131-V135 HydrophobicContact CG-CG2 4.38Å; R131-V135 WeakPolarHBondContact O-CB 3.22Å; R131-V135 VanDerWaalsContact O-CG2 3.23Å; R131-V135 WeakPolarHBondContact O-CG2 3.35Å; R131-V135 PolarHBondContact O-N 3.4Å
132V97.9Very high97.9Very high28 Ų2865 Ų6517%0.1733%0.329CS..Hα-helixtrans-67.5-45.2176.2178.90000110.4T94 I96 N129 M130 Q134 V135 W136T94-V132 HydrophobicContact CG2-CG1 4.31Å; T94-V132 HydrophobicContact CG2-CG2 4.26Å; I96-V132 HydrophobicContact CD1-CG1 3.99Å; I96-V132 HydrophobicContact CG1-CG1 4.26Å; N129-V132 HydrophobicContact CB-CG2 4.17Å; N129-V132 WeakPolarHBondContact O-CA 3.48Å; N129-V132 VanDerWaalsContact O-CB 3.31Å; N129-V132 WeakPolarHBondContact O-CB 3.31Å; N129-V132 PolarHBondContact O-N 3.03Å; M130-V132 VanDerWaalsContact C-N 3.34Å; M130-V132 PolarHBondContact O-N 2.94Å; V132-Q134 PolarHBondContact O-N 2.88Å; V132-V135 PolarHBondContact O-N 3.39Å; V132-W136 WeakPolarHBondContact O-CB 3.3Å; V132-W136 PolarHBondContact O-N 2.87Å
133I98.4Very high97.8Very high0 Ų070.9 Ų70.90%035%0.354CS..Hα-helixtrans-56.3-52.2173.2-55.5-68.1000110L104 R119 L122 A123 L128 N129 M130 V135 W136 F137L104-I133 HydrophobicContact CD2-CD1 3.82Å; L104-I133 HydrophobicContact CD2-CG2 4.42Å; R119-I133 HydrophobicContact CB-CG2 4.04Å; R119-I133 HydrophobicContact CG-CG2 3.89Å; L122-I133 HydrophobicContact CB-CD1 4.28Å; L122-I133 HydrophobicContact CB-CG2 4.35Å; A123-I133 HydrophobicContact CB-CG1 4.12Å; L128-I133 HydrophobicContact CB-CD1 3.92Å; L128-I133 HydrophobicContact CB-CG1 4.37Å; L128-I133 HydrophobicContact CD1-CD1 4.07Å; N129-I133 PolarHBondContact O-N 2.99Å; M130-I133 PolarHBondContact O-N 2.99Å; I133-V135 PolarHBondContact O-N 3.46Å; I133-W136 PolarHBondContact O-N 2.86Å; I133-F137 HydrophobicContact CG2-CD2 3.98Å; I133-F137 HydrophobicContact CG2-CE2 4.05Å; I133-F137 WeakPolarHBondContact O-CD2 3.46Å; I133-F137 PolarHBondContact O-N 3.25Å
134Q98.2Very high97.6Very high78 Ų7874.6 Ų74.636%0.36437%0.368SS..Hα-helixtrans-56.6-48.2179.2177.8176.60.300112.6M130 R131 V132 F137 Q138M130-Q134 WeakPolarHBondContact O-CB 3.27Å; M130-Q134 PolarHBondContact O-N 3.43Å; R131-Q134 PolarHBondContact O-N 3.17Å; V132-Q134 PolarHBondContact O-N 2.88Å; Q134-F137 PolarHBondContact O-N 3.03Å; Q134-Q138 WeakPolarHBondContact O-CG 3.25Å; Q134-Q138 PolarHBondContact O-N 3.21Å
135V98Very high97.4Very high61 Ų6175.9 Ų75.937%0.3737%0.367SS..Hα-helixtrans-66.9-36.5179.2169.10000111.4R131 V132 I133 Q138 N139R131-V135 HydrophobicContact CG-CG2 4.38Å; R131-V135 WeakPolarHBondContact O-CB 3.22Å; R131-V135 VanDerWaalsContact O-CG2 3.23Å; R131-V135 WeakPolarHBondContact O-CG2 3.35Å; R131-V135 PolarHBondContact O-N 3.4Å; V132-V135 PolarHBondContact O-N 3.39Å; I133-V135 PolarHBondContact O-N 3.46Å; V135-Q138 PolarHBondContact O-N 3.26Å; V135-N139 WeakPolarHBondContact CG1-ND2 3.5Å; V135-N139 WeakPolarHBondContact O-CB 3.2Å; V135-N139 VanDerWaalsContact O-CG 3.26Å; V135-N139 PolarHBondContact O-N 2.86Å; V135-N139 PolarHBondContact O-ND2 2.81Å
136W98.2Very high97.1Very high36 Ų3676.4 Ų76.414%0.13636%0.364CS..Hα-helixtrans-61.4-48.9175.5-173.595.3000111.5I96 L101 L104 F108 V132 I133 Q138 N139 R140I96-W136 HydrophobicContact CD1-CG 4.31Å; L101-W136 HydrophobicContact CD2-CZ2 4.43Å; L101-W136 VanDerWaalsContact CD2-NE1 3.34Å; L104-W136 HydrophobicContact CB-CD2 4.18Å; L104-W136 HydrophobicContact CB-CE3 4.06Å; L104-W136 HydrophobicContact CB-CH2 3.7Å; L104-W136 HydrophobicContact CB-CZ2 3.79Å; L104-W136 HydrophobicContact CB-CZ3 3.83Å; L104-W136 HydrophobicContact CD1-CD2 3.98Å; L104-W136 HydrophobicContact CD1-CE3 4.47Å; L104-W136 HydrophobicContact CD1-CG 4.07Å; L104-W136 HydrophobicContact CD2-CE3 4.33Å; L104-W136 WeakPolarHBondContact O-CH2 3.34Å; L104-W136 WeakPolarHBondContact O-CZ3 3.23Å; F108-W136 HydrophobicContact CB-CH2 4.33Å; F108-W136 HydrophobicContact CB-CZ3 4.19Å; F108-W136 HydrophobicContact CD2-CZ3 4.4Å; V132-W136 WeakPolarHBondContact O-CB 3.3Å; V132-W136 PolarHBondContact O-N 2.87Å; I133-W136 PolarHBondContact O-N 2.86Å; W136-Q138 VanDerWaalsContact C-N 3.34Å; W136-Q138 PolarHBondContact O-N 2.92Å; W136-N139 PolarHBondContact O-N 2.88Å; W136-R140 HydrophobicContact CE3-CB 4.28Å; W136-R140 HydrophobicContact CH2-CB 4.34Å; W136-R140 HydrophobicContact CH2-CG 4.08Å; W136-R140 HydrophobicContact CZ3-CB 4.11Å; W136-R140 HydrophobicContact CZ3-CG 4.16Å; W136-R140 WeakPolarHBondContact O-CB 3.5Å; W136-R140 PolarHBondContact O-N 3.5Å
137F98.6Very high96.6Very high2 Ų280.6 Ų80.61%0.00938%0.384CS..Hα-helixtrans-64.3-36.7177.7-87.1-86.8000112.7L104 A107 F108 P114 L122 I133 Q134 R141L104-F137 HydrophobicContact CD2-CE2 3.77Å; A107-F137 HydrophobicContact CB-CZ 4.21Å; F108-F137 HydrophobicContact CB-CE1 3.88Å; F108-F137 HydrophobicContact CB-CZ 4.49Å; F108-F137 AromaticContact CD2-CD1 3.79Å; F108-F137 HydrophobicContact CD2-CD1 3.79Å; F108-F137 AromaticContact CD2-CE1 3.83Å; F108-F137 HydrophobicContact CD2-CE1 3.83Å; F108-F137 HydrophobicContact CG-CE1 4.37Å; P114-F137 HydrophobicContact CG-CD1 3.59Å; P114-F137 HydrophobicContact CG-CD2 3.98Å; P114-F137 HydrophobicContact CG-CE1 3.57Å; P114-F137 HydrophobicContact CG-CE2 3.98Å; P114-F137 HydrophobicContact CG-CG 3.8Å; P114-F137 HydrophobicContact CG-CZ 3.79Å; L122-F137 HydrophobicContact CD1-CE2 3.83Å; L122-F137 HydrophobicContact CD1-CZ 4Å; I133-F137 HydrophobicContact CG2-CD2 3.98Å; I133-F137 HydrophobicContact CG2-CE2 4.05Å; I133-F137 WeakPolarHBondContact O-CD2 3.46Å; I133-F137 PolarHBondContact O-N 3.25Å; Q134-F137 PolarHBondContact O-N 3.03Å; F137-R141 WeakPolarHBondContact O-CG 3.34Å; F137-R141 PolarHBondContact O-N 3.14Å; F137-R141 VanDerWaalsContact O-N 3.11Å
138Q98.3Very high96.2Very high91 Ų9185.3 Ų85.343%0.42539%0.385SS..Hα-helixtrans-62.7-47.8172.2-72.2175.715.900111.6Q134 V135 W136 R141 S142Q134-Q138 WeakPolarHBondContact O-CG 3.25Å; Q134-Q138 PolarHBondContact O-N 3.21Å; V135-Q138 PolarHBondContact O-N 3.26Å; W136-Q138 VanDerWaalsContact C-N 3.34Å; W136-Q138 PolarHBondContact O-N 2.92Å; Q138-R141 PolarHBondContact O-N 3.44Å; Q138-S142 VanDerWaalsContact O-CB 3.22Å; Q138-S142 WeakPolarHBondContact O-CB 3.5Å; Q138-S142 PolarHBondContact O-N 3.41Å
139N98.1Very high95.7Very high101 Ų10189.7 Ų89.754%0.5441%0.405SS..Hα-helixtrans-65-39.2179-74-22.5000112.3V135 W136 S142 K143V135-N139 WeakPolarHBondContact CG1-ND2 3.5Å; V135-N139 WeakPolarHBondContact O-CB 3.2Å; V135-N139 VanDerWaalsContact O-CG 3.26Å; V135-N139 PolarHBondContact O-N 2.86Å; V135-N139 PolarHBondContact O-ND2 2.81Å; W136-N139 PolarHBondContact O-N 2.88Å; N139-S142 PolarHBondContact O-N 3.49Å; N139-K143 WeakPolarHBondContact O-CB 3.25Å; N139-K143 PolarHBondContact O-N 2.83Å
140R97.7Very high94.9Very high97 Ų9786 Ų8637%0.36639%0.385SS..Hα-helixtrans-61.9-51.3176.6-17767.4-173.2-177.15.1111F108 W136 S142 K143 E144F108-R140 HydrophobicContact CD1-CG 4.22Å; F108-R140 HydrophobicContact CD2-CB 4.26Å; F108-R140 HydrophobicContact CD2-CG 3.57Å; F108-R140 HydrophobicContact CE1-CG 4.1Å; F108-R140 HydrophobicContact CE2-CB 4.07Å; F108-R140 HydrophobicContact CE2-CG 3.43Å; F108-R140 VanDerWaalsContact CE2-CG 3.43Å; F108-R140 HydrophobicContact CG-CG 3.97Å; F108-R140 HydrophobicContact CZ-CG 3.73Å; W136-R140 HydrophobicContact CE3-CB 4.28Å; W136-R140 HydrophobicContact CH2-CB 4.34Å; W136-R140 HydrophobicContact CH2-CG 4.08Å; W136-R140 HydrophobicContact CZ3-CB 4.11Å; W136-R140 HydrophobicContact CZ3-CG 4.16Å; W136-R140 WeakPolarHBondContact O-CB 3.5Å; W136-R140 PolarHBondContact O-N 3.5Å; R140-S142 PolarHBondContact O-N 2.88Å; R140-K143 PolarHBondContact O-N 2.96Å; R140-E144 WeakPolarHBondContact O-CB 3.37Å; R140-E144 PolarHBondContact O-N 2.99Å
141R97.7Very high94.3Very high77 Ų7787.8 Ų87.829%0.29140%0.403SS..Hα-helixtrans-62.4-38.4174.5-70-167.2-61.6-91.41.2113F108 P112 F137 Q138 E144 R145F108-R141 HydrophobicContact CE2-CG 3.79Å; F108-R141 HydrophobicContact CZ-CG 4.31Å; P112-R141 VanDerWaalsContact O-CD 3.28Å; P112-R141 WeakPolarHBondContact O-CD 3.49Å; P112-R141 PolarHBondContact O-NH1 3.03Å; F137-R141 WeakPolarHBondContact O-CG 3.34Å; F137-R141 PolarHBondContact O-N 3.14Å; F137-R141 VanDerWaalsContact O-N 3.11Å; Q138-R141 PolarHBondContact O-N 3.44Å; R141-E144 PolarHBondContact O-N 3.29Å; R141-R145 WeakPolarHBondContact O-CB 3.25Å; R141-R145 PolarHBondContact O-N 3.25Å
142S97.4Very high93.4Very high59 Ų5983.2 Ų83.241%0.41340%0.404SS..Hα-helixtrans-65.2-42.3177.5-175.90000111.6Q138 N139 R140 R146Q138-S142 VanDerWaalsContact O-CB 3.22Å; Q138-S142 WeakPolarHBondContact O-CB 3.5Å; Q138-S142 PolarHBondContact O-N 3.41Å; N139-S142 PolarHBondContact O-N 3.49Å; R140-S142 PolarHBondContact O-N 2.88Å; S142-R146 VanDerWaalsContact O-CB 3.31Å; S142-R146 WeakPolarHBondContact O-CB 3.24Å; S142-R146 PolarHBondContact O-N 3.02Å
143K95.6Very high92Very high130 Ų13087 Ų8757%0.56542%0.423SS*.Hα-helixtrans-61.4-50.9172.1-175.2177.3177.5-176.50110.4N139 R140 R145 R146 M147N139-K143 WeakPolarHBondContact O-CB 3.25Å; N139-K143 PolarHBondContact O-N 2.83Å; R140-K143 PolarHBondContact O-N 2.96Å; K143-R145 PolarHBondContact O-N 2.92Å; K143-R146 PolarHBondContact O-N 3.41Å; K143-M147 HydrophobicContact CG-CG 4.06Å; K143-M147 WeakPolarHBondContact O-CB 3.34Å; K143-M147 WeakPolarHBondContact O-CG 3.27Å; K143-M147 PolarHBondContact O-N 3.27Å
144E95.1Very high90.4Very high94 Ų9488.6 Ų88.644%0.43944%0.44SS..Hα-helixtrans-56.1-49178.8-179.1-179.7-93.800112.7F108 R140 R141 R146 M147 K148F108-E144 WeakPolarHBondContact CE1-OE1 3.38Å; F108-E144 WeakPolarHBondContact CZ-OE1 3.4Å; R140-E144 WeakPolarHBondContact O-CB 3.37Å; R140-E144 PolarHBondContact O-N 2.99Å; R141-E144 PolarHBondContact O-N 3.29Å; E144-R146 PolarHBondContact O-N 3.33Å; E144-M147 PolarHBondContact O-N 3.32Å; E144-K148 PolarHBondContact O-N 3.06Å
145R94.6Very high88.6Confident185 Ų18589.1 Ų89.170%0.69846%0.457SS*.Hα-helixtrans-59.6-44.5176.3-165.9-174.4-163.8103.1-3.5111.8R141 K143 K148 Q149R141-R145 WeakPolarHBondContact O-CB 3.25Å; R141-R145 PolarHBondContact O-N 3.25Å; K143-R145 PolarHBondContact O-N 2.92Å; R145-K148 PolarHBondContact O-N 3.16Å; R145-Q149 WeakPolarHBondContact O-CG 3.34Å; R145-Q149 PolarHBondContact O-N 3.36Å
146R90.6Very high86.7Confident132 Ų13297.3 Ų97.350%0.49848%0.481SS..Hα-helixtrans-65.2-42.1176.9178.5177.6-90.5121.2-9.8111.5S142 K143 E144 Q149 L150S142-R146 VanDerWaalsContact O-CB 3.31Å; S142-R146 WeakPolarHBondContact O-CB 3.24Å; S142-R146 PolarHBondContact O-N 3.02Å; K143-R146 PolarHBondContact O-N 3.41Å; E144-R146 PolarHBondContact O-N 3.33Å; R146-Q149 PolarHBondContact O-N 2.98Å; R146-L150 HydrophobicContact CG-CD1 3.79Å; R146-L150 HydrophobicContact CG-CG 4.28Å; R146-L150 VanDerWaalsContact O-CB 3.3Å; R146-L150 WeakPolarHBondContact O-CB 3.45Å; R146-L150 WeakPolarHBondContact O-CG 3.48Å; R146-L150 PolarHBondContact O-N 3.18Å
147M87.8Confident84.8Confident99 Ų99103 Ų10349%0.48850%0.503SS..Hα-helixtrans-63.9-44.7176.4-65.4-64.8-72.700110.6K143 E144 Q149 L150 S151K143-M147 HydrophobicContact CG-CG 4.06Å; K143-M147 WeakPolarHBondContact O-CB 3.34Å; K143-M147 WeakPolarHBondContact O-CG 3.27Å; K143-M147 PolarHBondContact O-N 3.27Å; E144-M147 PolarHBondContact O-N 3.32Å; M147-Q149 VanDerWaalsContact C-N 3.34Å; M147-Q149 PolarHBondContact O-N 3.05Å; M147-L150 PolarHBondContact O-N 3.01Å; M147-L150 VanDerWaalsContact O-N 3.17Å; M147-S151 WeakPolarHBondContact O-CB 2.97Å; M147-S151 PolarHBondContact O-N 3.27Å; M147-S151 PolarHBondContact O-OG 3.4Å; M147-S151 VanDerWaalsContact O-OG 3.14Å
148K88.6Confident82.8Confident165 Ų165106 Ų10672%0.71752%0.517SS*.Hα-helixtrans-59.9-41.8175.9-173.3168.2-178.3170.80112.3E144 R145 A152E144-K148 PolarHBondContact O-N 3.06Å; R145-K148 PolarHBondContact O-N 3.16Å; K148-A152 VanDerWaalsContact O-CB 3.25Å; K148-A152 WeakPolarHBondContact O-CB 3.39Å; K148-A152 PolarHBondContact O-N 2.96Å
149Q86.9Confident80.8Confident105 Ų105105.1 Ų105.149%0.49153%0.525SS..Hα-helixtrans-64.7-43173.7-72.8173.7-9.800112.5R145 R146 M147 A152 L153R145-Q149 WeakPolarHBondContact O-CG 3.34Å; R145-Q149 PolarHBondContact O-N 3.36Å; R146-Q149 PolarHBondContact O-N 2.98Å; M147-Q149 VanDerWaalsContact C-N 3.34Å; M147-Q149 PolarHBondContact O-N 3.05Å; Q149-A152 PolarHBondContact O-N 2.97Å; Q149-L153 WeakPolarHBondContact O-CB 3.34Å; Q149-L153 WeakPolarHBondContact O-CG 3.43Å; Q149-L153 PolarHBondContact O-N 3.22Å
150L82.2Confident78.8Confident26 Ų26107.8 Ų107.814%0.13653%0.532CS..Hα-helixtrans-68.2-33.8178.9-77173.4000113R146 M147 H158 F161R146-L150 HydrophobicContact CG-CD1 3.79Å; R146-L150 HydrophobicContact CG-CG 4.28Å; R146-L150 VanDerWaalsContact O-CB 3.3Å; R146-L150 WeakPolarHBondContact O-CB 3.45Å; R146-L150 WeakPolarHBondContact O-CG 3.48Å; R146-L150 PolarHBondContact O-N 3.18Å; M147-L150 PolarHBondContact O-N 3.01Å; M147-L150 VanDerWaalsContact O-N 3.17Å; L150-H158 PolarHBondContact O-NE2 2.95Å; L150-F161 HydrophobicContact CD2-CD2 4.19Å
151S83.6Confident76.8Confident96 Ų96110.1 Ų110.167%0.67155%0.545SS*.Hα-helixtrans-72.3-41.9172.6-61.10000111.4M147 L153 G154M147-S151 WeakPolarHBondContact O-CB 2.97Å; M147-S151 PolarHBondContact O-N 3.27Å; M147-S151 PolarHBondContact O-OG 3.4Å; M147-S151 VanDerWaalsContact O-OG 3.14Å; S151-L153 VanDerWaalsContact C-N 3.35Å; S151-L153 PolarHBondContact O-N 3.44Å; S151-G154 PolarHBondContact O-N 2.88Å
152A77.6Confident74.9Confident85 Ų85116.6 Ų116.670%0.70257%0.57SS**Hα-helixtrans-69.2-26.9179.900000114.2K148 Q149K148-A152 VanDerWaalsContact O-CB 3.25Å; K148-A152 WeakPolarHBondContact O-CB 3.39Å; K148-A152 PolarHBondContact O-N 2.96Å; Q149-A152 PolarHBondContact O-N 2.97Å
153L69.3Low72.6Confident108 Ų108116.8 Ų116.857%0.56557%0.571SS**THydrogen-bonded Turntrans-93.31.2-178.7-70.6169000114.4Q149 S151Q149-L153 WeakPolarHBondContact O-CB 3.34Å; Q149-L153 WeakPolarHBondContact O-CG 3.43Å; Q149-L153 PolarHBondContact O-N 3.22Å; S151-L153 VanDerWaalsContact C-N 3.35Å; S151-L153 PolarHBondContact O-N 3.44Å
154G65.4Low70.6Confident34 Ų34116 Ų11635%0.35158%0.58SS.*  trans66.3167.5178.300000115S151 R156 R157 H158S151-G154 PolarHBondContact O-N 2.88Å; G154-R156 PolarHBondContact O-N 2.9Å; G154-R157 PolarHBondContact O-N 3.19Å; G154-H158 PolarHBondContact O-CD2 3.23Å
155A59.2Low68.7Low88 Ų88121.5 Ų121.573%0.72760%0.596SS**G310 helixtrans-56.1-23.8-174.800000114.4R157 H158A155-R157 VanDerWaalsContact C-N 3.29Å; A155-R157 PolarHBondContact O-N 3.42Å; A155-H158 PolarHBondContact O-N 3.39Å
156R58.5Low66.9Low233 Ų233124.1 Ų124.188%0.87961%0.606SS**G310 helixtrans-64.5-20.9-175.4-70.3-70.1-178.6175.3-1115.2G154G154-R156 PolarHBondContact O-N 2.9Å
157R57.4Low65Low155 Ų155125 Ų12559%0.58562%0.618SS**G310 helixtrans-106-2.8176-69.2-166.1176.7-132.4-0.5115.3G154 A155 A159 F160G154-R157 PolarHBondContact O-N 3.19Å; A155-R157 VanDerWaalsContact C-N 3.29Å; A155-R157 PolarHBondContact O-N 3.42Å; R157-A159 VanDerWaalsContact C-N 3.26Å; R157-A159 PolarHBondContact O-N 2.74Å; R157-F160 HydrophobicContact CB-CD2 4.44Å; R157-F160 HydrophobicContact CG-CD2 4.47Å; R157-F160 PolarHBondContact O-N 3.39Å
158H56.6Low63.5Low67 Ų67131 Ų13131%0.3164%0.635SS.*Hα-helixtrans-62.8-32177.4-80.8-109000112.9L150 G154 A155 F160 F161 R162L150-H158 PolarHBondContact O-NE2 2.95Å; G154-H158 PolarHBondContact O-CD2 3.23Å; A155-H158 PolarHBondContact O-N 3.39Å; H158-F160 VanDerWaalsContact C-N 3.28Å; H158-F160 PolarHBondContact O-N 3.19Å; H158-F161 PolarHBondContact O-N 2.96Å; H158-R162 WeakPolarHBondContact O-CB 3.26Å; H158-R162 PolarHBondContact O-N 2.96Å
159A56.8Low61.6Low72 Ų72127.9 Ų127.960%0.59563%0.632SS**Hα-helixtrans-57.6-36.3178.500000113.6R157 F161 S163R157-A159 VanDerWaalsContact C-N 3.26Å; R157-A159 PolarHBondContact O-N 2.74Å; A159-F161 PolarHBondContact O-N 2.96Å; A159-S163 PolarHBondContact O-N 3.36Å
160F56.7Low59.9Low157 Ų157130.8 Ų130.869%0.68965%0.65SS**Hα-helixtrans-72.6-28.4-179-61.2-73.6000113.3R157 H158R157-F160 HydrophobicContact CB-CD2 4.44Å; R157-F160 HydrophobicContact CG-CD2 4.47Å; R157-F160 PolarHBondContact O-N 3.39Å; H158-F160 VanDerWaalsContact C-N 3.28Å; H158-F160 PolarHBondContact O-N 3.19Å
161F56.2Low58.4Low146 Ų146135.4 Ų135.464%0.6468%0.679SS**Hα-helixtrans-99.5-18.6-179.5-69.8-74.1000114L150 H158 A159L150-F161 HydrophobicContact CD2-CD2 4.19Å; H158-F161 PolarHBondContact O-N 2.96Å; A159-F161 PolarHBondContact O-N 2.96Å
162R57.2Low56.5Low212 Ų212136.7 Ų136.780%0.868%0.678SS**SBendtrans-93.28.1168.8-88.7-168.1169.9-1441.5113.9H158 P164H158-R162 WeakPolarHBondContact O-CB 3.26Å; H158-R162 PolarHBondContact O-N 2.96Å; R162-P164 WeakPolarHBondContact O-CD 3.01Å
163S49Very low54.9Low63 Ų63142.2 Ų142.244%0.44168%0.68SS.*  trans-54.5111.8177.6-1790000111.1A159 R165A159-S163 PolarHBondContact O-N 3.36Å; S163-R165 PolarHBondContact O-N 3.38Å
164P53.4Low53.6Low115 Ų115144 Ų14475%0.74769%0.69SS**  trans-81.688.2-177.632.7-31.1000108.7R162R162-P164 WeakPolarHBondContact O-CD 3.01Å
165R56.1Low52.4Low209 Ų209148.5 Ų148.579%0.78970%0.702SS**  trans64.2118.3-177.1-41.6176.2-157.3-129.43.9112.3S163 M167S163-R165 PolarHBondContact O-N 3.38Å; R165-M167 HydrophobicContact CB-CG 4.34Å; R165-M167 PolarHBondContact O-N 3.39Å
166R56.4Low51.8Low239 Ų239150.1 Ų150.190%0.90271%0.705SS**  trans-65.189.2142.8-77-175.1-178.9130.6-2.6106.4R168R166-R168 VanDerWaalsContact C-N 3.28Å; R166-R168 PolarHBondContact O-N 2.92Å
167M49.3Very low51.4Low151 Ų151142 Ų14274%0.74469%0.694SS**  trans-58.1105153.8-72.1-63.9-74.300105R165 P169R165-M167 HydrophobicContact CB-CG 4.34Å; R165-M167 PolarHBondContact O-N 3.39Å; M167-P169 VanDerWaalsContact O-CD 3.27Å; M167-P169 WeakPolarHBondContact O-CD 3.3Å
168R57.8Low50.5Low225 Ų225143.7 Ų143.785%0.84971%0.709SS**  trans-60.7118.7165-179.8171.7-176.1143.1-1.4104.6R166 L170R166-R168 VanDerWaalsContact C-N 3.28Å; R166-R168 PolarHBondContact O-N 2.92Å; R168-L170 PolarHBondContact O-N 3.32Å
169P47.6Very low50Low100 Ų100148.9 Ų148.965%0.64974%0.738SS**  trans-57.6118.9164-15.329.8000104.9M167 V171M167-P169 VanDerWaalsContact O-CD 3.27Å; M167-P169 WeakPolarHBondContact O-CD 3.3Å; P169-V171 PolarHBondContact O-N 2.89Å
170L52.2Low49.5Very low166 Ų166152.9 Ų152.987%0.86975%0.748SS**  trans-61.6105.5154.2-179.465000103R168 D172R168-L170 PolarHBondContact O-N 3.32Å; L170-D172 PolarHBondContact O-N 3.3Å
171V50.7Low49.1Very low123 Ų123149.9 Ų149.975%0.74574%0.743SS**  trans-67.6105.2-177.2-1700000105.1P169 R173P169-V171 PolarHBondContact O-N 2.89Å; V171-R173 PolarHBondContact O-N 3.28Å
172D43.9Very low48.2Very low123 Ų123150.8 Ų150.866%0.65876%0.755SS**  trans-60103174-17039.4000106.9L170 L174L170-D172 PolarHBondContact O-N 3.3Å; D172-L174 PolarHBondContact O-N 2.02Å
173R42.2Very low47Very low200 Ų200144.2 Ų144.276%0.75575%0.754SS**  trans-81.578.8-177.6-174.3-172.6172.4157.5-0.5107.2V171 E175V171-R173 PolarHBondContact O-N 3.28Å; R173-E175 VanDerWaalsContact C-N 3.26Å; R173-E175 IonicContact NH2-OE1 3.95Å; R173-E175 PolarHBondContact O-N 2.66Å
174L42.8Very low46.8Very low146 Ų146146.7 Ų146.776%0.76477%0.768SS**  trans-62.892.2165.2-65.7175.9000108.4D172D172-L174 PolarHBondContact O-N 2.02Å
175E40.1Very low46.1Very low129 Ų129150.2 Ų150.260%0.60377%0.772SS**  trans-88.2117.7166.7-117.9-63.4149.800107.6R173 G177R173-E175 VanDerWaalsContact C-N 3.26Å; R173-E175 IonicContact NH2-OE1 3.95Å; R173-E175 PolarHBondContact O-N 2.66Å; E175-G177 PolarHBondContact O-N 2.81Å
176P47Very low45.4Very low121 Ų121146.2 Ų146.279%0.78678%0.776SS**  trans-81.885.3-170.832.9-35.2000112.3
177G49.8Very low44.7Very low64 Ų64143.2 Ų143.266%0.6677%0.77SS**  trans99.6105.8152.200000116.6E175E175-G177 PolarHBondContact O-N 2.81Å
178E38.5Very low44.3Very low190 Ų190146 Ų14689%0.88877%0.774SS**  trans-131.7136.9135.4-79.6-146.412400110.1
179L47Very low43.4Very low176 Ų176138.3 Ų138.392%0.92177%0.765SS**  trans-81.6117.8177.2-75149.3000109.5
180I45.6Very low42.9Very low156 Ų156140 Ų14080%0.877%0.769SS**  trans-126.2114.8158.9-58.8-175.3000108.9
181P48.7Very low42.2Very low93 Ų93142.7 Ų142.760%0.60477%0.769SS**  trans-83.1165.8174.233.8-33.2000112
182N37.1Very low41.8Very low165 Ų165144 Ų14488%0.88277%0.766SS**  trans98.6109.1165.4-51.6-59.5000117.5
183G32.7Very low41.4Very low75 Ų75143.5 Ų143.577%0.77377%0.773SS**  trans152.7138.2159.100000112.7
184P44.1Very low41.1Very low115 Ų115141.7 Ų141.775%0.74777%0.773SS**  -114.7-177.5-127.836.1-25000115.3
185F38.6Very low41Very low188 Ų188143.9 Ų143.983%0.82577%0.772SS**  trans8975.6179.1-61.6-79.9000117.5
186S41.1Very low41.1Very low126 Ų126146.8 Ų146.888%0.88178%0.779SS**  trans-69.6130.7138.7-59.50000109.4
187F42.7Very low40.7Very low175 Ų175143.9 Ų143.977%0.76877%0.772SS**  trans-150.5106.4164.7-167.4-91.6000111.4
188Y40Very low40.8Very low209 Ų209147.3 Ų147.382%0.8278%0.782SS**  trans46.9145.6162.5-77.2-96.4000120.6
189G39.2Very low40.7Very low65 Ų65142.4 Ų142.467%0.6778%0.782SS**  cis-158152.810.800000114
190D36.6Very low40.2Very low135 Ų135137.8 Ų137.872%0.72278%0.777SS**  trans-61.5140.3164.2-172.1-76.4000110.6Q192D190-Q192 PolarHBondContact OD1-N 3.04Å
191Y38.7Very low39.9Very low223 Ų223137.5 Ų137.588%0.87578%0.778SS**  trans-151.890.6153.9-120.1-77.2000109.2
192Q41.9Very low39.5Very low149 Ų149144 Ų14470%0.69679%0.792SS**  trans-62.7137.8156.6-74.9-167.1-29.900110.4D190D190-Q192 PolarHBondContact OD1-N 3.04Å
193S34.6Very low39.5Very low113 Ų113142.8 Ų142.879%0.7979%0.785SS**  trans-155.791.4154.5-1650000109.7
194E36.9Very low39.7Very low162 Ų162148.2 Ų148.276%0.75779%0.788SS**  trans-71.9126.4166.8-64.5160.198.400109
195Y39.9Very low39.7Very low192 Ų192151.2 Ų151.275%0.75379%0.789SS**  trans-158.4109.1152.9-134.4-112.9000112.7
196Y42.7Very low40.3Very low190 Ų190147.2 Ų147.275%0.74578%0.783SS**  trans65.5110.9154.6-74.3-115.6000120.4
197G38.1Very low40.3Very low61 Ų61150 Ų15063%0.62978%0.782SS**  trans-78.2170.3140.200000111
198P52.8Low40.3Very low135 Ų135144.8 Ų144.888%0.87778%0.777SS**  -149.4154.983.438.2-21.1000117.2
199G35.9Very low40.7Very low87 Ų87141 Ų14190%0.89778%0.779SS**  trans57.7107.5139.700000121
200G35.6Very low41.2Very low79 Ų79143.7 Ų143.781%0.81478%0.784SS**  trans-170.8107.5163.200000112.7
201N39.4Very low41.6Very low151 Ų151143.1 Ų143.181%0.80779%0.79SS**  trans-65.4146.4178.6-61.9-83000112.3
202Y40.3Very low42Very low228 Ų228138.6 Ų138.689%0.89479%0.792SS**  -170.4129.5124.3-100.7-65.4000111
203D38.5Very low41.9Very low141 Ų141139.5 Ų139.575%0.75480%0.796SS**  trans-66.5126.2-175.8-64-102000114.2F205D203-F205 PolarHBondContact O-N 3.13Å
204F36.4Very low41.8Very low189 Ų189138.9 Ų138.983%0.82980%0.798SS**  trans-92.393.2173.6-174.2-96000110.5P206F204-P206 WeakPolarHBondContact O-CD 3.43Å
205F42.9Very low41.8Very low177 Ų177139.4 Ų139.478%0.77680%0.8SS**  trans-72125.4174.1-103.9-87.9000111.7D203D203-F205 PolarHBondContact O-N 3.13Å
206P51.4Low42Very low105 Ų105136.3 Ų136.368%0.68280%0.801SS**  trans-104.976.1-175.738.4-32000112.7F204F204-P206 WeakPolarHBondContact O-CD 3.43Å
207Q41.5Very low42.6Very low184 Ų184133.2 Ų133.286%0.8680%0.804SS**  trans-138.4130.7168.7-65.4-165.415.100112.2
208G43Very low43Very low66 Ų66136.3 Ų136.368%0.6881%0.811SS**PPolyproline II helixtrans-82.4169.2-177.800000114
209P48.2Very low42.4Very low130 Ų130136.9 Ų136.984%0.84481%0.806SS**PPolyproline II helixtrans-73.9136.3-177.429.7-34.2000112.4
210P50.5Low42.9Very low120 Ų120139.9 Ų139.978%0.77980%0.801SS**PPolyproline II helixtrans-81.8162.8-179.833-35.5000113.5
211S43.5Very low43.5Very low123 Ų123141.4 Ų141.486%0.8680%0.797SS**PPolyproline II helixtrans-70.6134.4176.4-70.50000113Q213S211-Q213 PolarHBondContact O-N 3.47Å
212S48.4Very low43.5Very low129 Ų129142.6 Ų142.690%0.90280%0.795SS**  trans-78.2102.3169.8-55.40000111.3
213Q38.8Very low43.9Very low168 Ų168138.5 Ų138.579%0.78579%0.793SS**PPolyproline II helixtrans-86.7118.7166.1-178-178.185.400108.8S211S211-Q213 PolarHBondContact O-N 3.47Å
214A33.7Very low44.4Very low100 Ų100136.1 Ų136.183%0.82679%0.786SS**PPolyproline II helixtrans-89.8129.8175.100000110.6
215Q36.9Very low44.4Very low172 Ų172133.2 Ų133.280%0.80479%0.789SS**PPolyproline II helixtrans-97.8153.3172.4-72.5-179.7-6.400111.3
216T43.3Very low44.3Very low128 Ų128130.3 Ų130.379%0.78579%0.791SS**PPolyproline II helixtrans-79.7173.4176.751.80000111.9
217P54.3Low43.8Very low124 Ų124128.8 Ų128.881%0.80579%0.794SS**  -133.6164.3112.933.5-22.2000114.6
218V46.7Very low44.2Very low126 Ų126126.4 Ų126.476%0.76479%0.794SS**  trans-79.4146.3179.7-76.10000112.7
219D40.5Very low44Very low147 Ų147129.5 Ų129.579%0.78681%0.805SS**  -169.7170.4107.5-124.1-55.4000113.8
220L46.1Very low43.4Very low151 Ų151126.8 Ų126.879%0.79180%0.801SS**  trans-88.1-176.5-162.4-66.3166.4000114.5
221P49.3Very low43.5Very low110 Ų110127.6 Ų127.671%0.71480%0.804SS**  cis-139.2149.95.339.5-19.4000119.7
222F39.3Very low44.1Very low177 Ų177127.9 Ų127.978%0.77680%0.803SS**  33.4114.4128.5-156.4-103.2000122.5P224F222-P224 VanDerWaalsContact CE1-CD 3.46Å; F222-P224 HydrophobicContact CE1-CG 3.74Å; F222-P224 HydrophobicContact CE2-CG 4.48Å; F222-P224 HydrophobicContact CZ-CG 3.73Å
223V47.6Very low43.6Very low141 Ų141130.1 Ų130.186%0.85580%0.804SS**  trans-144.8121.3146.2-166.20000109.9
224P50.8Low43.5Very low92 Ų92126.1 Ų126.160%0.59781%0.807SS**  trans-99.9125.6169.934.4-28.2000110.9F222F222-P224 VanDerWaalsContact CE1-CD 3.46Å; F222-P224 HydrophobicContact CE1-CG 3.74Å; F222-P224 HydrophobicContact CE2-CG 4.48Å; F222-P224 HydrophobicContact CZ-CG 3.73Å
225S35.4Very low43.7Very low127 Ų127124.3 Ų124.389%0.88880%0.799SS**  trans-105124.2165.6-165.50000109.3
226S41.4Very low43.9Very low117 Ų117124.3 Ų124.382%0.81880%0.804SS**PPolyproline II helixtrans-82.6122.8-171.334.70000112.3
227G40.4Very low43.5Very low73 Ų73125.2 Ų125.275%0.75380%0.804SS**PPolyproline II helixtrans-100.3126.2163.300000110.7
228P50.2Low42.9Very low133 Ų133126.9 Ų126.986%0.86480%0.8SS**PPolyproline II helixtrans-86.5118.8171.631.9-30000110.8
229S39.3Very low43Very low131 Ų131126.8 Ų126.892%0.91680%0.802SS**  trans-129.2125.2159.9-174.90000107.8
230G35.4Very low42.9Very low73 Ų73126.9 Ų126.975%0.75380%0.802SS**  trans170.786.1-173.600000113.4
231T52.5Low43.1Very low138 Ų138125.5 Ų125.585%0.84780%0.802SS**  trans-122.5124.7160.240.70000108.1
232P55.4Low42.1Very low128 Ų128123.4 Ų123.483%0.83180%0.801SS**  trans-81.1157-171.131.4-35.2000113.4
233L38.3Very low41.9Very low177 Ų177124 Ų12493%0.92781%0.806SS**  trans-59.8143.7170.2-80.371.4000111.5
234G36.3Very low41.3Very low83 Ų83124.7 Ų124.786%0.85680%0.799SS**  trans-116.2134.715700000110.1
235G38.6Very low41.3Very low63 Ų63125.4 Ų125.465%0.64980%0.804SS**  trans-168160.9178.300000111.8
236L41Very low41.1Very low172 Ų172124.3 Ų124.390%0.90180%0.796SS**  trans71.6139.5-163.6-63.980.7000112.8
237D34.4Very low40.7Very low147 Ų147123.7 Ų123.779%0.78679%0.792SS**  cis-147.4170.27-150.6-128.1000113.4
238H41.1Very low40.3Very low158 Ų158129.1 Ų129.173%0.73180%0.797SS**  trans-83.6177.2171.9-102.781.2000110.6
239P49.9Very low39.8Very low125 Ų125127.1 Ų127.181%0.81279%0.792SS**  cis-147.5-17436.939.9-15.5000118.9
240L38.3Very low40Very low148 Ų148129.4 Ų129.478%0.77579%0.788SS**  trans-73.8-170.9175.8-57.4165.6000112.7
241P49.6Very low40Very low122 Ų122136.5 Ų136.579%0.79279%0.793SS**  cis-137.2165.5-7.332.2-10.8000117.8
242G29.7Very low39.3Very low67 Ų67139.9 Ų139.969%0.69180%0.796SS**  trans83.8126.5134.400000121.3
243H34.2Very low38.4Very low190 Ų190138.7 Ų138.788%0.8879%0.786SS**  176134.8120.2-107.1-83.6000113.8
244H36.1Very low38.3Very low154 Ų154137 Ų13771%0.71378%0.778SS**  trans-93.8177.4149.757.3-105.8000108.1
245P50.4Low38.4Very low107 Ų107139.1 Ų139.170%0.69577%0.768SS**  cis-139.1-176.69.141-21.7000116.2
246S30.6Very low38.5Very low105 Ų105143.9 Ų143.973%0.73478%0.778SS**  trans170.5115.6132.2-92.20000107.9
247S32.4Very low38.2Very low103 Ų103139.9 Ų139.972%0.7277%0.77SS**  75.5105.464.179.80000114.1
248E32.8Very low38.6Very low187 Ų187141.6 Ų141.687%0.87477%0.773SS**  -155.5150.1124.6-116.1-172.3134.800110.8
249A40.1Very low39Very low91 Ų91139.8 Ų139.875%0.75278%0.775SS**  trans-141121.8-176.900000110.4
250Q42Very low39.2Very low179 Ų179139.7 Ų139.784%0.83678%0.775SS**  trans-134.499.4164.5-66.7-175.8-36.100105.7
251R37Very low39Very low223 Ų223136 Ų13684%0.84277%0.772SS**  38.6105.884.2-73.8-144.7-165-167.19.2113
252F36.2Very low38.2Very low209 Ų209138 Ų13892%0.91778%0.776SS**  -141.9140.6122.9-107.5-79.8000109.8
253T38Very low38.7Very low103 Ų103139.8 Ų139.863%0.63278%0.778SS**  trans-126.9129.3178.244.20000107.5
254D36.3Very low39.6Very low142 Ų142136.6 Ų136.676%0.75977%0.774SS**  trans-168.1127.3148-95.4-58.2000106.2
255I37.7Very low39.7Very low126 Ų126134.2 Ų134.265%0.64677%0.774SS**  cis99.911336.8-74.4171.7000111.8
256L41.7Very low39.8Very low164 Ų164134.9 Ų134.986%0.85978%0.779SS**  trans62152.2156.2-89.254000118.3
257A34.1Very low40.3Very low88 Ų88138.1 Ų138.173%0.72778%0.782SS**  cis-157.3170.3-2.300000112.2
258H42.2Very low41.4Very low183 Ų183138.2 Ų138.285%0.84778%0.781SS**  trans-60.1176.6159.4-60.1-79.4000112
259P50.5Low41.6Very low119 Ų119135.1 Ų135.177%0.77378%0.78SS**  cis-145.2-137.125.233.6-4.2000114.8
260P54.3Low41.7Very low124 Ų124138.8 Ų138.881%0.80579%0.786SS**  -128.8-176.3-85.240.3-23.4000115.8
261G33.4Very low42.4Very low69 Ų69136.1 Ų136.171%0.71178%0.784SS**  trans91.8148.3160.200000115.5
262D31.8Very low42.5Very low166 Ų166128.7 Ų128.789%0.88878%0.777SS**  cis-153.2162.35.4-128.3-55.8000112.8
263S41.2Very low43.4Very low103 Ų103124.3 Ų124.372%0.7277%0.77SS**  trans-88.4160.8166.4-93.30000109.4
264P51.6Low43.5Very low123 Ų123126.9 Ų126.980%0.79978%0.778SS**  -155-179.353.441.8-19.3000118.4
265S39.7Very low43.7Very low104 Ų104128.8 Ų128.873%0.72778%0.783SS**  trans-81.5156.3161.7-165.10000110.7
266P52.8Low43.7Very low122 Ų122128.2 Ų128.279%0.79279%0.789SS**  -148.6163.891.237.4-18.7000117.5
267E39.7Very low43.5Very low172 Ų172129.3 Ų129.380%0.80479%0.792SS**  trans-70-169161.4-121.7-162.910600111.7
268P57Low43.7Very low106 Ų106131 Ų13169%0.68880%0.799SS**  cis-134.2178.9-12.639.9-23.3000114.9
269S35.4Very low43.6Very low122 Ų122126.5 Ų126.585%0.85379%0.793SS**  trans-156.299.715254.30000115.5
270L43.8Very low43.4Very low168 Ų168129.7 Ų129.788%0.8880%0.798SS**  trans-128.9153.7152.6-93173.7000108
271P55.5Low42.7Very low122 Ų122129.1 Ų129.179%0.79279%0.792SS**  trans-134.6143.3134.232.8-20.1000113.2
272G38.9Very low43Very low67 Ų67135.4 Ų135.469%0.69180%0.8SS**  trans-76.9-155.6160.700000111.8
273P55Low43.3Very low118 Ų118130.9 Ų130.977%0.76679%0.793SS**  -149.6150.656.337.1-16.2000118.9
274L41.3Very low43.9Very low156 Ų156132.5 Ų132.582%0.81780%0.801SS**  trans43.5128131.8-54172.2000122.8
275H41Very low43.4Very low183 Ų183131.7 Ų131.785%0.84780%0.798SS**  174.3113.5117.5-98-137.3000106.1
276S37.3Very low44.6Very low113 Ų113132.1 Ų132.179%0.7980%0.798SS**  76.496.752.4-162.20000114.7
277M37.9Very low45Very low187 Ų187130.9 Ų130.992%0.92179%0.79SS**  trans-167.8145.4130.256.2-173.9-17800111.8
278S38.1Very low44.8Very low124 Ų124131.6 Ų131.687%0.86779%0.791SS**  trans-117.1174.7175.9-68.90000110.7
279A38.3Very low44Very low88 Ų88131.7 Ų131.773%0.72779%0.794SS**  trans87.4101157.600000119
280E46.4Very low44.2Very low186 Ų186131 Ų13187%0.86979%0.789SS**  62155.1115.6-57.3-126109.800123.2
281V41Very low44.1Very low113 Ų113131.4 Ų131.469%0.68579%0.792SS**  trans103.7138145.9141.90000120
282F39.5Very low43.3Very low200 Ų200130.3 Ų130.388%0.87779%0.787SS**  trans80.7120.2-179.3-63.3-64.3000119.9
283G37.3Very low43.4Very low72 Ų72132.8 Ų132.874%0.74279%0.788SS**  trans-86.3-148.5160.200000111.7
284P53.5Low42.6Very low136 Ų136134.4 Ų134.488%0.88379%0.791SS**  cis-125.4-153.516.443.2-27000113.5
285S41.1Very low42.2Very low106 Ų106130.9 Ų130.974%0.74179%0.792SS**  trans-100.1-153.3-168.758.90000113.4
286P66.8Low41.7Very low113 Ų113125.5 Ų125.573%0.73479%0.786SS**  -114.2-142-12834.3-8.2000109.9
287P61.2Low41.7Very low96 Ų96124 Ų12462%0.62378%0.78SS**  cis-140.9-142.52.845.4-22.8000115.1
288F35.5Very low42Very low187 Ų187120.5 Ų120.582%0.8277%0.774SS**  trans88134.6177.1-64.2-75.5000116.6
289S38.4Very low42.3Very low108 Ų108124.8 Ų124.876%0.75577%0.773SS**  cis-135.8135.210.2-68.80000113.7
290S41.5Very low42.3Very low107 Ų107123.7 Ų123.775%0.74877%0.77SS**  trans-94.2132.7154.4550000109.7
291L40.9Very low41.9Very low177 Ų177122.5 Ų122.593%0.92777%0.77SS**  trans-103.5110.2162.9-87.6166.3000109.7
292S39.6Very low41.8Very low100 Ų100124.3 Ų124.370%0.69977%0.77SS**  trans-68.8166.2161.7-51.90000109.2
293V39.8Very low41.8Very low118 Ų118121.4 Ų121.472%0.71576%0.763SS**  179.7144.665.768.30000112.6
294N38.7Very low41.9Very low153 Ų153122.6 Ų122.682%0.81876%0.76SS**  trans35.6124.5152.8-58.6-3.7000122.2
295G31.6Very low41.4Very low81 Ų81124.6 Ų124.684%0.83576%0.757SS**  116.1147.48600000118.6
296G31.3Very low42.3Very low70 Ų70124.6 Ų124.672%0.72276%0.755SS**  trans106.997.8149.200000118.8
297A36.8Very low41.6Very low82 Ų82124.2 Ų124.268%0.67875%0.752SS**  39.7115129.800000122.4
298S43.8Very low40.7Very low113 Ų113128.4 Ų128.479%0.7976%0.764SS**  71.481.3114.4-171.20000121.6
299Y46.1Very low41.3Very low215 Ų215127.2 Ų127.284%0.84376%0.762SS**  trans-152.8143.51452-95.7000107.1
300G37.8Very low41.5Very low64 Ų64128.7 Ų128.766%0.6676%0.762SS**  cis130.9124.38.400000109.5
301N38Very low41.7Very low162 Ų162132.7 Ų132.787%0.86677%0.769SS**  trans72154.2173.6-56.5-26.6000117.9
302H39.1Very low41.7Very low151 Ų151128.1 Ų128.170%0.69976%0.757SS**  cis-169.3-177.4-28.669.5-61.6000109.3
303L39Very low42.1Very low138 Ų138128.3 Ų128.372%0.72376%0.764SS**  trans78.3108.9169.1-134.568.5000114.9
304S38.7Very low42.1Very low98 Ų98129.1 Ų129.169%0.68577%0.769SS**  cis80.188.737.6-49.20000115.5
305H43.5Very low42.5Very low178 Ų178137.4 Ų137.482%0.82479%0.789SS**  162.4136.9118-111-88.4000114.3
306P61.1Low43Very low106 Ų106140.3 Ų140.369%0.68879%0.787SS**  trans-87.8160.2147.339.6-33.3000109.4
307P51Low43.6Very low104 Ų104143.9 Ų143.968%0.67579%0.79SS**  -151.7166.770.141.4-22.6000116.8
308E42.1Very low44Very low185 Ų185147.4 Ų147.486%0.86480%0.796SS**  -165126.4119.9-122.6-167.3103.300111.2
309M47.5Very low44Very low161 Ų161149.4 Ų149.479%0.79380%0.797SS**  trans-98.8128.4164.741.6-87.6175.500108.2
310N44.2Very low43.9Very low139 Ų139145.3 Ų145.374%0.74379%0.794SS**  trans-121.399.2165.2-173.331.8000110.1A312N310-A312 PolarHBondContact O-N 3.26Å
311E44.9Very low44.3Very low192 Ų192150.7 Ų150.790%0.89780%0.803SS**  trans-71.5110.7160.3-76.7-178.380.500109.6
312A40.7Very low44.7Very low81 Ų81149.9 Ų149.967%0.66980%0.798SS**  trans-163.896.4158.700000111.8N310N310-A312 PolarHBondContact O-N 3.26Å
313A48.6Very low45.1Very low103 Ų103149.8 Ų149.885%0.85181%0.806SS**  trans169.372.4143.700000111.3
314V40.3Very low45.7Very low135 Ų135150.8 Ų150.882%0.81881%0.813SS**  trans-71.2127.3140.9172.80000106.2
315W45.3Very low46.3Very low328 Ų328155.6 Ų155.6100%1.24282%0.824SS**  trans-177.50143.7-85.1105000107.3

Retrieved 315 of 315 residues in 165.7 ms (Link to these results)

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