A0A3Q0KV06_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KV06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 395 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
1M61.8Low79.1Confident207 Ų207115.1 Ų115.1100%1.0262%0.617SS**  0-45.20-140.3170.2-173.400112.9F3M1-F3 PolarHBondContact O-N 3.41Å
2F64.4Low80Confident180 Ų180121.3 Ų121.379%0.78963%0.625SS**Hα-helixtrans-61.8-36.1-178.7-74.1-81.5000115.9N4 S5 V6F2-N4 PolarHBondContact O-N 3.38Å; F2-S5 PolarHBondContact O-N 3.35Å; F2-V6 PolarHBondContact O-N 3.02Å; F2-V6 VanDerWaalsContact O-N 3.15Å
3F70.7Confident80.8Confident179 Ų179119.8 Ų119.879%0.78562%0.618SS**Hα-helixtrans-60.6-41.6-178.8-90.7-84.9000113.6M1 S5 V6 V7M1-F3 PolarHBondContact O-N 3.41Å; F3-S5 VanDerWaalsContact C-N 3.29Å; F3-S5 PolarHBondContact O-N 3.24Å; F3-V6 PolarHBondContact O-N 3.45Å; F3-V7 VanDerWaalsContact O-CG2 3.31Å; F3-V7 WeakPolarHBondContact O-CG2 3.35Å; F3-V7 PolarHBondContact O-N 2.84Å
4N75.5Confident81.6Confident126 Ų126122.2 Ų122.267%0.67462%0.617SS**Hα-helixtrans-66-32.4178.3-74-21.8000112.4F2 T8F2-N4 PolarHBondContact O-N 3.38Å; N4-T8 WeakPolarHBondContact O-CB 3.44Å; N4-T8 PolarHBondContact O-N 3.36Å; N4-T8 PolarHBondContact O-OG1 3.47Å
5S79Confident82.2Confident73 Ų73121.9 Ų121.951%0.5162%0.617SS.*Hα-helixtrans-68.2-46.7176.6-173.90000111.3F2 F3 V7 T8 V9F2-S5 PolarHBondContact O-N 3.35Å; F3-S5 VanDerWaalsContact C-N 3.29Å; F3-S5 PolarHBondContact O-N 3.24Å; S5-V7 PolarHBondContact O-N 2.6Å; S5-T8 PolarHBondContact O-N 3.11Å; S5-V9 VanDerWaalsContact O-CG2 3.32Å; S5-V9 WeakPolarHBondContact O-CG2 3.22Å; S5-V9 PolarHBondContact O-N 3.07Å
6V83.5Confident82.7Confident91 Ų91119.1 Ų119.155%0.55261%0.612SS**Hα-helixtrans-63-42.2178.51780000111.5F2 F3 V9 S10F2-V6 PolarHBondContact O-N 3.02Å; F2-V6 VanDerWaalsContact O-N 3.15Å; F3-V6 PolarHBondContact O-N 3.45Å; V6-V9 PolarHBondContact O-N 3.34Å; V6-S10 VanDerWaalsContact O-CB 3.31Å; V6-S10 WeakPolarHBondContact O-CB 3.3Å; V6-S10 PolarHBondContact O-N 3.01Å; V6-S10 PolarHBondContact O-OG 2.88Å
7V85.4Confident83.2Confident90 Ų90121 Ų12155%0.54562%0.615SS.*Hα-helixtrans-64.5-43.1177173.90000111F3 S5 S10 L11F3-V7 VanDerWaalsContact O-CG2 3.31Å; F3-V7 WeakPolarHBondContact O-CG2 3.35Å; F3-V7 PolarHBondContact O-N 2.84Å; S5-V7 PolarHBondContact O-N 2.6Å; V7-S10 PolarHBondContact O-N 3.36Å; V7-L11 WeakPolarHBondContact O-CB 3.48Å; V7-L11 PolarHBondContact O-N 2.98Å
8T85.1Confident83.7Confident66 Ų66117.7 Ų117.741%0.40560%0.598SS.*Hα-helixtrans-65.1-42.6179.1-55.60000111.8N4 S5 L11 R12N4-T8 WeakPolarHBondContact O-CB 3.44Å; N4-T8 PolarHBondContact O-N 3.36Å; N4-T8 PolarHBondContact O-OG1 3.47Å; S5-T8 PolarHBondContact O-N 3.11Å; T8-L11 PolarHBondContact O-N 2.9Å; T8-R12 WeakPolarHBondContact O-CG 3.48Å; T8-R12 PolarHBondContact O-N 3.45Å
9V86.8Confident84Confident77 Ų77117.5 Ų117.547%0.46760%0.595SS.*Hα-helixtrans-65.1-42.6176.3173.30000110.8S5 V6 R12 L13S5-V9 VanDerWaalsContact O-CG2 3.32Å; S5-V9 WeakPolarHBondContact O-CG2 3.22Å; S5-V9 PolarHBondContact O-N 3.07Å; V6-V9 PolarHBondContact O-N 3.34Å; V9-R12 PolarHBondContact O-N 2.95Å; V9-L13 HydrophobicContact CG1-CD1 3.91Å; V9-L13 WeakPolarHBondContact O-CB 3.46Å; V9-L13 WeakPolarHBondContact O-CG 3.28Å; V9-L13 PolarHBondContact O-N 3.3Å
10S88.5Confident84.4Confident64 Ų64117.8 Ų117.845%0.44860%0.597SS.*Hα-helixtrans-63.5-42177.3-57.70000111.8V6 V7 L13 Y14V6-S10 VanDerWaalsContact O-CB 3.31Å; V6-S10 WeakPolarHBondContact O-CB 3.3Å; V6-S10 PolarHBondContact O-N 3.01Å; V6-S10 PolarHBondContact O-OG 2.88Å; V7-S10 PolarHBondContact O-N 3.36Å; S10-L13 PolarHBondContact O-N 3.4Å; S10-Y14 WeakPolarHBondContact O-CB 3.31Å; S10-Y14 PolarHBondContact O-N 3.17Å
11L89.6Confident84.8Confident113 Ų113119.4 Ų119.459%0.59260%0.601SS**Hα-helixtrans-64.4-42.2176.7-171.670.7000111.6V7 T8 Y14 L15V7-L11 WeakPolarHBondContact O-CB 3.48Å; V7-L11 PolarHBondContact O-N 2.98Å; T8-L11 PolarHBondContact O-N 2.9Å; L11-Y14 PolarHBondContact O-N 2.98Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 PolarHBondContact O-N 2.58Å
12R89.6Confident86.3Confident189 Ų189114.3 Ų114.371%0.71358%0.576SS**Hα-helixtrans-64.4-41.8176-74.4-179.4-178.5-173.21.3112.3T8 V9 S16T8-R12 WeakPolarHBondContact O-CG 3.48Å; T8-R12 PolarHBondContact O-N 3.45Å; V9-R12 PolarHBondContact O-N 2.95Å; R12-S16 VanDerWaalsContact O-CB 3.32Å; R12-S16 WeakPolarHBondContact O-CB 3.32Å; R12-S16 PolarHBondContact O-N 2.89Å
13L90.7Very high87.5Confident103 Ų103109.9 Ų109.954%0.53956%0.559SS.*Hα-helixtrans-63.5-43.4175.3-77.7164.4000111.4V9 S10 S16 F17V9-L13 HydrophobicContact CG1-CD1 3.91Å; V9-L13 WeakPolarHBondContact O-CB 3.46Å; V9-L13 WeakPolarHBondContact O-CG 3.28Å; V9-L13 PolarHBondContact O-N 3.3Å; S10-L13 PolarHBondContact O-N 3.4Å; L13-S16 PolarHBondContact O-N 2.87Å; L13-F17 PolarHBondContact O-N 3.39Å
14Y91.9Very high88.5Confident153 Ų153102.9 Ų102.960%0.654%0.537SS*.Hα-helixtrans-63.8-44.8177.7-174.1-108.1000112S10 L11 S16 F17 I18S10-Y14 WeakPolarHBondContact O-CB 3.31Å; S10-Y14 PolarHBondContact O-N 3.17Å; L11-Y14 PolarHBondContact O-N 2.98Å; Y14-S16 VanDerWaalsContact C-N 3.33Å; Y14-S16 PolarHBondContact O-N 3.26Å; Y14-F17 PolarHBondContact O-N 3.32Å; Y14-I18 HydrophobicContact CD1-CD1 3.63Å; Y14-I18 HydrophobicContact CE1-CD1 3.19Å; Y14-I18 HydrophobicContact CE1-CG1 4.23Å; Y14-I18 HydrophobicContact CE2-CD1 4.39Å; Y14-I18 HydrophobicContact CG-CD1 4.4Å; Y14-I18 WeakPolarHBondContact O-CG1 3.39Å; Y14-I18 PolarHBondContact O-N 3.01Å
15L90.1Very high89.2Confident118 Ų11898.9 Ų98.962%0.61852%0.519SS*.Hα-helixtrans-65.1-38.1177.7-153.873.6000111.9L11 I18 H19L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 PolarHBondContact O-N 2.58Å; L15-I18 PolarHBondContact O-N 3.34Å; L15-H19 WeakPolarHBondContact O-CB 3.31Å; L15-H19 PolarHBondContact O-N 2.74Å
16S89.9Confident89.8Confident77 Ų7799.7 Ų99.754%0.53852%0.518SS..Hα-helixtrans-63-42.9173.4-173.70000111.9R12 L13 Y14 H19 L20R12-S16 VanDerWaalsContact O-CB 3.32Å; R12-S16 WeakPolarHBondContact O-CB 3.32Å; R12-S16 PolarHBondContact O-N 2.89Å; L13-S16 PolarHBondContact O-N 2.87Å; Y14-S16 VanDerWaalsContact C-N 3.33Å; Y14-S16 PolarHBondContact O-N 3.26Å; S16-H19 PolarHBondContact O-N 2.92Å; S16-L20 WeakPolarHBondContact O-CB 3.36Å; S16-L20 PolarHBondContact O-N 3.49Å
17F91.2Very high90.1Very high151 Ų151100.8 Ų100.866%0.66252%0.519SS*.Hα-helixtrans-62.9-43.8175.4-106.3-83.1000112.6L13 Y14 L20 F21L13-F17 PolarHBondContact O-N 3.39Å; Y14-F17 PolarHBondContact O-N 3.32Å; F17-L20 PolarHBondContact O-N 3.36Å; F17-F21 WeakPolarHBondContact O-CB 3.34Å; F17-F21 PolarHBondContact O-N 3.15Å
18I92.3Very high90.2Very high61 Ų61101.9 Ų101.931%0.31352%0.521SS..Hα-helixtrans-61.3-46.5175.6-70.9169.8000110.3Y14 L15 L20 F21 I22Y14-I18 HydrophobicContact CD1-CD1 3.63Å; Y14-I18 HydrophobicContact CE1-CD1 3.19Å; Y14-I18 HydrophobicContact CE1-CG1 4.23Å; Y14-I18 HydrophobicContact CE2-CD1 4.39Å; Y14-I18 HydrophobicContact CG-CD1 4.4Å; Y14-I18 WeakPolarHBondContact O-CG1 3.39Å; Y14-I18 PolarHBondContact O-N 3.01Å; L15-I18 PolarHBondContact O-N 3.34Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 2.86Å; I18-F21 PolarHBondContact O-N 3.44Å; I18-I22 HydrophobicContact CG2-CD1 3.59Å; I18-I22 HydrophobicContact CG2-CG1 4.24Å; I18-I22 VanDerWaalsContact O-CG1 3.32Å; I18-I22 WeakPolarHBondContact O-CG1 3.37Å; I18-I22 PolarHBondContact O-N 3.03Å
19H90Very high90.4Very high115 Ų115103.8 Ų103.853%0.53253%0.528SS..Hα-helixtrans-62-42.5180-168.9-82.5000111.7L15 S16 F21 I22 M23L15-H19 WeakPolarHBondContact O-CB 3.31Å; L15-H19 PolarHBondContact O-N 2.74Å; S16-H19 PolarHBondContact O-N 2.92Å; H19-F21 VanDerWaalsContact C-N 3.35Å; H19-I22 PolarHBondContact O-N 3.37Å; H19-M23 VanDerWaalsContact CE1-CE 3.41Å; H19-M23 WeakPolarHBondContact CE1-CE 3.45Å; H19-M23 WeakPolarHBondContact O-CB 3.47Å; H19-M23 VanDerWaalsContact O-CG 3.26Å; H19-M23 WeakPolarHBondContact O-CG 3.49Å; H19-M23 PolarHBondContact O-N 3.18Å
20L91.5Very high90.4Very high123 Ų123104.6 Ų104.664%0.64453%0.53SS*.Hα-helixtrans-64.2-39.6175.7-172.664.8000112S16 F17 I18 G24S16-L20 WeakPolarHBondContact O-CB 3.36Å; S16-L20 PolarHBondContact O-N 3.49Å; F17-L20 PolarHBondContact O-N 3.36Å; I18-L20 VanDerWaalsContact C-N 3.34Å; I18-L20 PolarHBondContact O-N 2.86Å; L20-G24 PolarHBondContact O-N 3.34Å
21F92.7Very high90.2Very high152 Ų152108.4 Ų108.467%0.66754%0.535SS*.Hα-helixtrans-66.5-43.3177.8-176.1-96.6000112.4F17 I18 H19 G24 S25F17-F21 WeakPolarHBondContact O-CB 3.34Å; F17-F21 PolarHBondContact O-N 3.15Å; I18-F21 PolarHBondContact O-N 3.44Å; H19-F21 VanDerWaalsContact C-N 3.35Å; F21-G24 PolarHBondContact O-N 2.99Å; F21-S25 WeakPolarHBondContact O-CB 3.35Å; F21-S25 PolarHBondContact O-N 3.44Å; F21-S25 PolarHBondContact O-OG 3.35Å
22I92.6Very high89.9Confident100 Ų100107.1 Ų107.151%0.51353%0.529SS..Hα-helixtrans-64.2-47.5176.7-67.6170.4000110.2I18 H19 G24 S25 L26I18-I22 HydrophobicContact CG2-CD1 3.59Å; I18-I22 HydrophobicContact CG2-CG1 4.24Å; I18-I22 VanDerWaalsContact O-CG1 3.32Å; I18-I22 WeakPolarHBondContact O-CG1 3.37Å; I18-I22 PolarHBondContact O-N 3.03Å; H19-I22 PolarHBondContact O-N 3.37Å; I22-G24 PolarHBondContact O-N 3.37Å; I22-S25 PolarHBondContact O-N 2.93Å; I22-L26 WeakPolarHBondContact O-CB 3.32Å; I22-L26 PolarHBondContact O-N 2.87Å
23M90.9Very high89.6Confident86 Ų86102.9 Ų102.942%0.42452%0.52SS..Hα-helixtrans-63.5-41.6178.6-70.8-63.4-177.600112H19 S25 L26 I27H19-M23 VanDerWaalsContact CE1-CE 3.41Å; H19-M23 WeakPolarHBondContact CE1-CE 3.45Å; H19-M23 WeakPolarHBondContact O-CB 3.47Å; H19-M23 VanDerWaalsContact O-CG 3.26Å; H19-M23 WeakPolarHBondContact O-CG 3.49Å; H19-M23 PolarHBondContact O-N 3.18Å; M23-S25 PolarHBondContact O-N 2.69Å; M23-L26 PolarHBondContact O-N 3.48Å; M23-I27 WeakPolarHBondContact O-CD1 3.47Å; M23-I27 VanDerWaalsContact O-CG1 3.27Å; M23-I27 WeakPolarHBondContact O-CG1 3.29Å; M23-I27 PolarHBondContact O-N 3.4Å
24G90.7Very high89.1Confident32 Ų32102.3 Ų102.333%0.3352%0.517SS..Hα-helixtrans-61.9-42.1175.200000112.8L20 F21 I22 I27 L28L20-G24 PolarHBondContact O-N 3.34Å; F21-G24 PolarHBondContact O-N 2.99Å; I22-G24 PolarHBondContact O-N 3.37Å; G24-I27 PolarHBondContact O-N 2.9Å; G24-L28 PolarHBondContact O-N 3.27Å; G24-L28 VanDerWaalsContact O-N 3.09Å
25S90.5Very high88.5Confident42 Ų4298.4 Ų98.429%0.29451%0.506SS..Hα-helixtrans-66.7-38.4177.2-56.50000112.1F21 I22 M23 L28 L29F21-S25 WeakPolarHBondContact O-CB 3.35Å; F21-S25 PolarHBondContact O-N 3.44Å; F21-S25 PolarHBondContact O-OG 3.35Å; I22-S25 PolarHBondContact O-N 2.93Å; M23-S25 PolarHBondContact O-N 2.69Å; S25-L28 PolarHBondContact O-N 3.27Å; S25-L29 WeakPolarHBondContact O-CG 3.41Å; S25-L29 PolarHBondContact O-N 3.01Å
26L91.3Very high87.8Confident91 Ų9199.2 Ų99.248%0.47651%0.506SS..Hα-helixtrans-65-40.9176.1-174.167.3000111.8I22 M23 L29 L30I22-L26 WeakPolarHBondContact O-CB 3.32Å; I22-L26 PolarHBondContact O-N 2.87Å; M23-L26 PolarHBondContact O-N 3.48Å; L26-L29 PolarHBondContact O-N 3.43Å; L26-L30 HydrophobicContact CG-CD1 4.16Å; L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 2.87Å
27I89.7Confident87.2Confident113 Ų11398.3 Ų98.358%0.57950%0.5SS*.Hα-helixtrans-63.5-42.7176.1-68.9163.9000110.9M23 G24 L30 Y31M23-I27 WeakPolarHBondContact O-CD1 3.47Å; M23-I27 VanDerWaalsContact O-CG1 3.27Å; M23-I27 WeakPolarHBondContact O-CG1 3.29Å; M23-I27 PolarHBondContact O-N 3.4Å; G24-I27 PolarHBondContact O-N 2.9Å; I27-L30 PolarHBondContact O-N 3.46Å; I27-Y31 WeakPolarHBondContact O-CB 3.32Å; I27-Y31 PolarHBondContact O-N 2.95Å
28L88.3Confident86.3Confident114 Ų11495.1 Ų95.160%0.59749%0.49SS*.Hα-helixtrans-62-45175.9-78.3162.9000111.8G24 S25 L30 Y31 D32G24-L28 PolarHBondContact O-N 3.27Å; G24-L28 VanDerWaalsContact O-N 3.09Å; S25-L28 PolarHBondContact O-N 3.27Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L28-L30 PolarHBondContact O-N 2.94Å; L28-Y31 PolarHBondContact O-N 3.43Å; L28-D32 PolarHBondContact O-N 3.23Å
29L88.6Confident85.3Confident105 Ų10595.8 Ų95.855%0.5550%0.497SS..Hα-helixtrans-62.1-40.3175.9-78.4166.7000112.6S25 L26 N33S25-L29 WeakPolarHBondContact O-CG 3.41Å; S25-L29 PolarHBondContact O-N 3.01Å; L26-L29 PolarHBondContact O-N 3.43Å; L29-N33 WeakPolarHBondContact O-CB 3.41Å; L29-N33 PolarHBondContact O-N 3.09Å; L29-N33 VanDerWaalsContact O-N 3.07Å; L29-N33 PolarHBondContact O-ND2 3.36Å
30L87.3Confident84.3Confident95 Ų9597.5 Ų97.550%0.49750%0.503SS..Hα-helixtrans-64.3-42.5174.9-80160.4000111.2L26 I27 L28 N33 I34L26-L30 HydrophobicContact CG-CD1 4.16Å; L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 2.87Å; I27-L30 PolarHBondContact O-N 3.46Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L28-L30 PolarHBondContact O-N 2.94Å; L30-N33 PolarHBondContact O-N 3.41Å; L30-I34 VanDerWaalsContact O-CG1 3.26Å; L30-I34 WeakPolarHBondContact O-CG1 3.32Å; L30-I34 PolarHBondContact O-N 3.48Å
31Y85.4Confident83.1Confident144 Ų14497.6 Ų97.657%0.56550%0.5SS*.Hα-helixtrans-64.9-44.3179.6-167.5-107.3000112I27 L28 N33 I34 I35I27-Y31 WeakPolarHBondContact O-CB 3.32Å; I27-Y31 PolarHBondContact O-N 2.95Å; L28-Y31 PolarHBondContact O-N 3.43Å; Y31-N33 VanDerWaalsContact C-N 3.33Å; Y31-N33 PolarHBondContact O-N 3.24Å; Y31-I34 PolarHBondContact O-N 2.91Å; Y31-I35 HydrophobicContact CD1-CD1 3.56Å; Y31-I35 HydrophobicContact CD1-CG1 4.39Å; Y31-I35 HydrophobicContact CE1-CD1 3.16Å; Y31-I35 HydrophobicContact CE1-CG1 4.17Å; Y31-I35 HydrophobicContact CG-CD1 4.4Å; Y31-I35 WeakPolarHBondContact O-CG1 3.37Å; Y31-I35 PolarHBondContact O-N 3.34Å
32D83Confident81.7Confident86 Ų8695.5 Ų95.546%0.4650%0.495SS..Hα-helixtrans-62.3-40.9175.6-78.8-11.1000111.6L28 I35 Q36L28-D32 PolarHBondContact O-N 3.23Å; D32-I35 PolarHBondContact O-N 2.93Å; D32-Q36 WeakPolarHBondContact O-CB 3.33Å; D32-Q36 VanDerWaalsContact O-CG 3.32Å; D32-Q36 WeakPolarHBondContact O-CG 3.48Å; D32-Q36 PolarHBondContact O-N 3.42Å
33N83.1Confident80.3Confident99 Ų9995.2 Ų95.253%0.52949%0.494SS..Hα-helixtrans-64.5-40.1176-78.7-40.8000112.5L29 L30 Y31 Q36 S37L29-N33 WeakPolarHBondContact O-CB 3.41Å; L29-N33 PolarHBondContact O-N 3.09Å; L29-N33 VanDerWaalsContact O-N 3.07Å; L29-N33 PolarHBondContact O-ND2 3.36Å; L30-N33 PolarHBondContact O-N 3.41Å; Y31-N33 VanDerWaalsContact C-N 3.33Å; Y31-N33 PolarHBondContact O-N 3.24Å; N33-Q36 PolarHBondContact O-N 3.06Å; N33-S37 WeakPolarHBondContact O-CB 3.41Å; N33-S37 PolarHBondContact O-N 2.96Å
34I81.1Confident79Confident92 Ų9297.7 Ų97.747%0.47250%0.503SS..Hα-helixtrans-66-45176.9-68.2163.7000110.4L30 Y31 Q36 S37 N38L30-I34 VanDerWaalsContact O-CG1 3.26Å; L30-I34 WeakPolarHBondContact O-CG1 3.32Å; L30-I34 PolarHBondContact O-N 3.48Å; Y31-I34 PolarHBondContact O-N 2.91Å; I34-Q36 PolarHBondContact O-N 3.21Å; I34-S37 PolarHBondContact O-N 3.43Å; I34-N38 VanDerWaalsContact O-CG 3.26Å; I34-N38 PolarHBondContact O-N 2.95Å; I34-N38 PolarHBondContact O-OD1 3.39Å
35I77.7Confident77.5Confident71 Ų7199.8 Ų99.836%0.36451%0.512SS..Hα-helixtrans-61-47.1176.7-70.6175.6000110.5Y31 D32 S37 N38 V39Y31-I35 HydrophobicContact CD1-CD1 3.56Å; Y31-I35 HydrophobicContact CD1-CG1 4.39Å; Y31-I35 HydrophobicContact CE1-CD1 3.16Å; Y31-I35 HydrophobicContact CE1-CG1 4.17Å; Y31-I35 HydrophobicContact CG-CD1 4.4Å; Y31-I35 WeakPolarHBondContact O-CG1 3.37Å; Y31-I35 PolarHBondContact O-N 3.34Å; D32-I35 PolarHBondContact O-N 2.93Å; I35-S37 VanDerWaalsContact C-N 3.31Å; I35-S37 PolarHBondContact O-N 2.9Å; I35-N38 PolarHBondContact O-N 3.46Å; I35-V39 HydrophobicContact CG2-CG2 4.26Å; I35-V39 WeakPolarHBondContact O-CB 3.3Å; I35-V39 VanDerWaalsContact O-CG2 3.25Å; I35-V39 WeakPolarHBondContact O-CG2 3.48Å; I35-V39 PolarHBondContact O-N 2.95Å
36Q75.7Confident76Confident134 Ų134102.5 Ų102.563%0.62652%0.523SS*.Hα-helixtrans-63.7-36.9178.6-74-173.620.600112.4D32 N33 I34 K40D32-Q36 WeakPolarHBondContact O-CB 3.33Å; D32-Q36 VanDerWaalsContact O-CG 3.32Å; D32-Q36 WeakPolarHBondContact O-CG 3.48Å; D32-Q36 PolarHBondContact O-N 3.42Å; N33-Q36 PolarHBondContact O-N 3.06Å; I34-Q36 PolarHBondContact O-N 3.21Å; Q36-K40 VanDerWaalsContact O-CB 3.29Å; Q36-K40 WeakPolarHBondContact O-CB 3.41Å; Q36-K40 PolarHBondContact O-N 3.39Å
37S77.1Confident74.4Confident58 Ų58104 Ų10441%0.40653%0.528SS..Hα-helixtrans-63.3-49.4175.1-166.50000111.2N33 I34 I35 V39 K40 E41N33-S37 WeakPolarHBondContact O-CB 3.41Å; N33-S37 PolarHBondContact O-N 2.96Å; I34-S37 PolarHBondContact O-N 3.43Å; I35-S37 VanDerWaalsContact C-N 3.31Å; I35-S37 PolarHBondContact O-N 2.9Å; S37-V39 PolarHBondContact O-N 3.42Å; S37-K40 WeakPolarHBondContact O-CB 3.45Å; S37-K40 PolarHBondContact O-N 2.96Å; S37-K40 VanDerWaalsContact O-N 3.16Å; S37-E41 PolarHBondContact O-N 2.94Å
38N71.9Confident72.9Confident84 Ų84102.8 Ų102.845%0.44952%0.522SS..Hα-helixtrans-64.1-42.4-179.1-67.5-3.1000111.7I34 I35 K40 E41 D42I34-N38 VanDerWaalsContact O-CG 3.26Å; I34-N38 PolarHBondContact O-N 2.95Å; I34-N38 PolarHBondContact O-OD1 3.39Å; I35-N38 PolarHBondContact O-N 3.46Å; N38-K40 VanDerWaalsContact C-N 3.28Å; N38-K40 PolarHBondContact O-N 3.23Å; N38-E41 PolarHBondContact O-N 2.92Å; N38-D42 PolarHBondContact O-N 3.26Å
39V72.4Confident71.1Confident76 Ų76105.5 Ų105.546%0.46153%0.526SS..Hα-helixtrans-62.6-38175.7171.80000111.1I35 S37 D42 I43I35-V39 HydrophobicContact CG2-CG2 4.26Å; I35-V39 WeakPolarHBondContact O-CB 3.3Å; I35-V39 VanDerWaalsContact O-CG2 3.25Å; I35-V39 WeakPolarHBondContact O-CG2 3.48Å; I35-V39 PolarHBondContact O-N 2.95Å; S37-V39 PolarHBondContact O-N 3.42Å; V39-D42 PolarHBondContact O-N 3.44Å; V39-I43 HydrophobicContact CG1-CD1 3.88Å; V39-I43 WeakPolarHBondContact O-CD1 3.26Å; V39-I43 VanDerWaalsContact O-CG1 3.23Å; V39-I43 WeakPolarHBondContact O-CG1 3.43Å; V39-I43 PolarHBondContact O-N 3.38Å
40K68.7Low69.4Low151 Ų151108.1 Ų108.166%0.65753%0.53SS*.Hα-helixtrans-68.5-37.2177.2-170.7175.7-177.5179.10112.1Q36 S37 N38 K44Q36-K40 VanDerWaalsContact O-CB 3.29Å; Q36-K40 WeakPolarHBondContact O-CB 3.41Å; Q36-K40 PolarHBondContact O-N 3.39Å; S37-K40 WeakPolarHBondContact O-CB 3.45Å; S37-K40 PolarHBondContact O-N 2.96Å; S37-K40 VanDerWaalsContact O-N 3.16Å; N38-K40 VanDerWaalsContact C-N 3.28Å; N38-K40 PolarHBondContact O-N 3.23Å; K40-K44 WeakPolarHBondContact O-CB 3.49Å; K40-K44 PolarHBondContact O-N 2.94Å; K40-K44 VanDerWaalsContact O-N 3.09Å
41E66.7Low67.9Low125 Ų125109.1 Ų109.158%0.58454%0.536SS*.Hα-helixtrans-66.8-42.6174.5-73.1-172.9174.400112S37 N38 I43 K44 S45S37-E41 PolarHBondContact O-N 2.94Å; N38-E41 PolarHBondContact O-N 2.92Å; E41-I43 PolarHBondContact O-N 2.99Å; E41-K44 PolarHBondContact O-N 3.44Å; E41-S45 WeakPolarHBondContact O-CB 3.27Å; E41-S45 PolarHBondContact O-N 2.89Å
42D62.4Low66.4Low107 Ų107108.6 Ų108.657%0.57254%0.538SS*.Hα-helixtrans-62.3-41.2175.8-78.7-13.2000112.1N38 V39 K44 S45 N46N38-D42 PolarHBondContact O-N 3.26Å; V39-D42 PolarHBondContact O-N 3.44Å; D42-K44 VanDerWaalsContact C-N 3.34Å; D42-K44 PolarHBondContact O-N 3.45Å; D42-S45 PolarHBondContact O-N 3.04Å; D42-N46 WeakPolarHBondContact O-CB 3.35Å; D42-N46 PolarHBondContact O-N 3.1Å; D42-N46 PolarHBondContact O-ND2 3.21Å
43I64.6Low65Low94 Ų94106.8 Ų106.848%0.48253%0.532SS..Hα-helixtrans-64.3-40.4175.6-67.3165.1000110.8V39 E41 N46 Q47V39-I43 HydrophobicContact CG1-CD1 3.88Å; V39-I43 WeakPolarHBondContact O-CD1 3.26Å; V39-I43 VanDerWaalsContact O-CG1 3.23Å; V39-I43 WeakPolarHBondContact O-CG1 3.43Å; V39-I43 PolarHBondContact O-N 3.38Å; E41-I43 PolarHBondContact O-N 2.99Å; I43-N46 PolarHBondContact O-N 3.1Å; I43-Q47 PolarHBondContact O-N 3.45Å
44K62.8Low63.6Low139 Ų139104.7 Ų104.760%0.60453%0.529SS*.Hα-helixtrans-67.7-39.3178.1-127.2179.5-179-172.40112.2K40 E41 D42 Q47 N48K40-K44 WeakPolarHBondContact O-CB 3.49Å; K40-K44 PolarHBondContact O-N 2.94Å; K40-K44 VanDerWaalsContact O-N 3.09Å; E41-K44 PolarHBondContact O-N 3.44Å; D42-K44 VanDerWaalsContact C-N 3.34Å; D42-K44 PolarHBondContact O-N 3.45Å; K44-Q47 PolarHBondContact O-N 3.35Å; K44-N48 PolarHBondContact O-N 3.28Å; K44-N48 VanDerWaalsContact O-N 3.11Å
45S58.7Low62.3Low75 Ų75108.4 Ų108.452%0.52454%0.541SS..Hα-helixtrans-61.8-44.8174.9-173.90000110.9E41 D42 Q47 N48 Y49E41-S45 WeakPolarHBondContact O-CB 3.27Å; E41-S45 PolarHBondContact O-N 2.89Å; D42-S45 PolarHBondContact O-N 3.04Å; S45-Q47 PolarHBondContact O-N 2.92Å; S45-N48 PolarHBondContact O-N 2.96Å; S45-Y49 PolarHBondContact O-N 2.97Å
46N58.9Low61.1Low99 Ų99111.2 Ų111.253%0.52956%0.556SS.*Hα-helixtrans-65.8-37.5176.1-75.6-27.4000112.7D42 I43 N48 Y49 Y50D42-N46 WeakPolarHBondContact O-CB 3.35Å; D42-N46 PolarHBondContact O-N 3.1Å; D42-N46 PolarHBondContact O-ND2 3.21Å; I43-N46 PolarHBondContact O-N 3.1Å; N46-N48 PolarHBondContact O-N 3.24Å; N46-Y49 WeakPolarHBondContact O-CB 3.4Å; N46-Y49 PolarHBondContact O-N 3.29Å; N46-Y50 VanDerWaalsContact O-CD2 3.24Å; N46-Y50 WeakPolarHBondContact O-CD2 3.39Å; N46-Y50 PolarHBondContact O-N 3.49Å
47Q57.9Low59.8Low123 Ų123111 Ų11158%0.57556%0.559SS**Hα-helixtrans-62.8-40.6174.7-91.1175.8-24.900112.7I43 K44 S45 Y49 Y50 D51I43-Q47 PolarHBondContact O-N 3.45Å; K44-Q47 PolarHBondContact O-N 3.35Å; S45-Q47 PolarHBondContact O-N 2.92Å; Q47-Y49 VanDerWaalsContact C-N 3.29Å; Q47-Y49 PolarHBondContact O-N 3.01Å; Q47-Y50 PolarHBondContact O-N 3.39Å; Q47-D51 PolarHBondContact O-N 2.8Å
48N59.4Low58.5Low87 Ų87114.5 Ų114.547%0.46557%0.573SS.*Hα-helixtrans-63.2-36.4175.4-72.2-27.6000112K44 S45 N46 Y50 D51 H52K44-N48 PolarHBondContact O-N 3.28Å; K44-N48 VanDerWaalsContact O-N 3.11Å; S45-N48 PolarHBondContact O-N 2.96Å; N46-N48 PolarHBondContact O-N 3.24Å; N48-Y50 VanDerWaalsContact C-N 3.35Å; N48-Y50 PolarHBondContact O-N 3.48Å; N48-D51 PolarHBondContact O-N 3.47Å; N48-H52 PolarHBondContact O-CD2 3.4Å; N48-H52 PolarHBondContact O-N 2.92Å; N48-H52 VanDerWaalsContact O-N 3.17Å
49Y49.7Very low57.3Low172 Ų172116.9 Ų116.968%0.67559%0.586SS**Hα-helixtrans-62.6-40.5176.1-171.8-98.8000112.3S45 N46 Q47 S53S45-Y49 PolarHBondContact O-N 2.97Å; N46-Y49 WeakPolarHBondContact O-CB 3.4Å; N46-Y49 PolarHBondContact O-N 3.29Å; Q47-Y49 VanDerWaalsContact C-N 3.29Å; Q47-Y49 PolarHBondContact O-N 3.01Å; Y49-S53 PolarHBondContact O-N 2.92Å
50Y53Low56.3Low160 Ų160120.1 Ų120.163%0.62760%0.6SS**Hα-helixtrans-72.9-36.8178-77-74.2000113N46 Q47 N48 H52 S53 A54N46-Y50 VanDerWaalsContact O-CD2 3.24Å; N46-Y50 WeakPolarHBondContact O-CD2 3.39Å; N46-Y50 PolarHBondContact O-N 3.49Å; Q47-Y50 PolarHBondContact O-N 3.39Å; N48-Y50 VanDerWaalsContact C-N 3.35Å; N48-Y50 PolarHBondContact O-N 3.48Å; Y50-H52 VanDerWaalsContact C-N 3.33Å; Y50-H52 PolarHBondContact O-N 3.48Å; Y50-S53 WeakPolarHBondContact CA-OG 3.26Å; Y50-S53 PolarHBondContact O-N 2.89Å; Y50-S53 VanDerWaalsContact O-N 3.15Å; Y50-S53 PolarHBondContact O-OG 2.99Å; Y50-A54 PolarHBondContact O-N 3.02Å
51D55.2Low55.1Low116 Ų116122.8 Ų122.862%0.6261%0.607SS**Hα-helixtrans-64.6-35.2176.2-98.3-4.9000112.5Q47 N48 K55Q47-D51 PolarHBondContact O-N 2.8Å; N48-D51 PolarHBondContact O-N 3.47Å; D51-K55 PolarHBondContact O-N 3.1Å
52H54.3Low54Low133 Ų133124.8 Ų124.862%0.61662%0.616SS**Hα-helixtrans-70.3-32.8173.1-72.2-60000112.8N48 Y50 K55 L56N48-H52 PolarHBondContact O-CD2 3.4Å; N48-H52 PolarHBondContact O-N 2.92Å; N48-H52 VanDerWaalsContact O-N 3.17Å; Y50-H52 VanDerWaalsContact C-N 3.33Å; Y50-H52 PolarHBondContact O-N 3.48Å; H52-K55 PolarHBondContact O-N 3.32Å; H52-L56 PolarHBondContact O-N 3.07Å
53S53.8Low53.1Low47 Ų47126.5 Ų126.533%0.32962%0.619SS.*Hα-helixtrans-72.4-32.6176.375.50000113.1Y49 Y50 N57Y49-S53 PolarHBondContact O-N 2.92Å; Y50-S53 WeakPolarHBondContact CA-OG 3.26Å; Y50-S53 PolarHBondContact O-N 2.89Å; Y50-S53 VanDerWaalsContact O-N 3.15Å; Y50-S53 PolarHBondContact O-OG 2.99Å; S53-N57 PolarHBondContact O-ND2 3.48Å
54A53.1Low52.1Low56 Ų56126.6 Ų126.646%0.46363%0.625SS.*Hα-helixtrans-69.2-35.8174.600000111.6Y50 L56 N57Y50-A54 PolarHBondContact O-N 3.02Å; A54-L56 VanDerWaalsContact C-N 3.34Å; A54-L56 PolarHBondContact O-N 2.98Å; A54-N57 PolarHBondContact O-N 3.33Å
55K53.6Low51.2Low170 Ų170127.3 Ų127.374%0.73964%0.636SS**Hα-helixtrans-74.5-21.7178.8-133.3172.3-175.7178.90114.2D51 H52D51-K55 PolarHBondContact O-N 3.1Å; H52-K55 PolarHBondContact O-N 3.32Å
56L52.7Low50.4Low130 Ų130132.9 Ų132.968%0.68165%0.646SS**Hα-helixtrans-84.3-12.3175.7-95.4156.4000113.7H52 A54H52-L56 PolarHBondContact O-N 3.07Å; A54-L56 VanDerWaalsContact C-N 3.34Å; A54-L56 PolarHBondContact O-N 2.98Å
57N49.2Very low49.5Very low128 Ų128134.4 Ų134.468%0.68466%0.658SS**SBendtrans-89.1-8.9179-81.2-35.6000114.2S53 A54S53-N57 PolarHBondContact O-ND2 3.48Å; A54-N57 PolarHBondContact O-N 3.33Å
58D50Low48.8Very low132 Ų132135.1 Ų135.171%0.70667%0.665SS**SBendtrans-83.9-15.6175.1-79.8-20.4000113.1I60D58-I60 PolarHBondContact O-N 3.28Å
59D46.6Very low47.9Very low135 Ų135136.8 Ų136.872%0.72268%0.677SS**SBendtrans-82.575.6165.9-78.7-20.7000109Y61D59-Y61 VanDerWaalsContact C-N 3.29Å; D59-Y61 PolarHBondContact O-N 2.94Å
60I51.5Low47.6Very low144 Ų144134.8 Ų134.874%0.73868%0.677SS**  trans-55.593.8169.5-61.8169.5000107.8D58 E62D58-I60 PolarHBondContact O-N 3.28Å; I60-E62 HydrophobicContact CG2-CB 4.45Å; I60-E62 PolarHBondContact O-N 3.35Å
61Y42.9Very low47.2Very low206 Ų206132.7 Ų132.781%0.80868%0.683SS**  trans-67.288.6157.1-133.9-91.4000106D59 F63D59-Y61 VanDerWaalsContact C-N 3.29Å; D59-Y61 PolarHBondContact O-N 2.94Å; Y61-F63 VanDerWaalsContact C-N 3.29Å; Y61-F63 PolarHBondContact O-N 3.02Å
62E44.5Very low46.4Very low168 Ų168134.9 Ų134.979%0.78569%0.69SS**  trans-55.692.5171.1-171.4174.4-168.200107.8I60 P64I60-E62 HydrophobicContact CG2-CB 4.45Å; I60-E62 PolarHBondContact O-N 3.35Å; E62-P64 WeakPolarHBondContact O-CD 3.44Å
63F43.3Very low45.9Very low143 Ų143135.1 Ų135.163%0.62770%0.701SS**  trans-70113.7165.7-87.5-83.2000107.4Y61Y61-F63 VanDerWaalsContact C-N 3.29Å; Y61-F63 PolarHBondContact O-N 3.02Å
64P42.2Very low45.3Very low95 Ų95140.7 Ų140.762%0.61772%0.721SS**THydrogen-bonded Turntrans-70.6144.6165.332.5-30000107.8E62E62-P64 WeakPolarHBondContact O-CD 3.44Å
65D43.9Very low44.9Very low155 Ų155143.5 Ų143.583%0.82974%0.735SS**THydrogen-bonded Turntrans83.425.9161.7-56.1-24.6000120.5
66R42.4Very low44.5Very low191 Ų191141.2 Ų141.272%0.72174%0.735SS**  trans-120.873.3161.7-55.6-171.9-149.3-87.4-0.1111.9I68R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 PolarHBondContact O-N 3.35Å
67V40Very low44.1Very low131 Ų131142 Ų14279%0.79474%0.74SS**  trans-67.794.6163.5-178.40000107.9V69V67-V69 HydrophobicContact CG1-CG2 3.86Å; V67-V69 PolarHBondContact O-N 2.93Å
68I44Very low43.7Very low139 Ų139141 Ų14171%0.71374%0.743SS**  trans-87.5102.4164.6-57.2177.5000106.4R66 I70R66-I68 VanDerWaalsContact C-N 3.34Å; R66-I68 PolarHBondContact O-N 3.35Å; I68-I70 HydrophobicContact CG2-CG1 4.18Å; I68-I70 PolarHBondContact O-N 3.2Å; I68-I70 VanDerWaalsContact O-N 3.08Å
69V39.7Very low43.3Very low121 Ų121140.6 Ų140.673%0.73375%0.745SS**  trans-71.399.2171-178.80000107.8V67V67-V69 HydrophobicContact CG1-CG2 3.86Å; V67-V69 PolarHBondContact O-N 2.93Å
70I44.8Very low43.2Very low131 Ų131142.8 Ų142.867%0.67275%0.751SS**  trans-83.1126.3164.5-56.4176000106.8I68 Q72I68-I70 HydrophobicContact CG2-CG1 4.18Å; I68-I70 PolarHBondContact O-N 3.2Å; I68-I70 VanDerWaalsContact O-N 3.08Å; I70-Q72 PolarHBondContact O-N 3.17Å
71P44.4Very low42.9Very low115 Ų115142.7 Ų142.775%0.74775%0.751SS**  trans-63.4110.9175-12.826.2000108.9T73P71-T73 PolarHBondContact O-N 3Å
72Q37.1Very low43Very low163 Ų163140.7 Ų140.776%0.76275%0.753SS**  trans-72.3119.6171.6-70-161.1-0.500109.6I70I70-Q72 PolarHBondContact O-N 3.17Å
73T43.5Very low42.9Very low138 Ų138140.3 Ų140.385%0.84776%0.756SS**  trans-83.8106.2150.9410000107.7P71P71-T73 PolarHBondContact O-N 3Å
74E41.7Very low42.9Very low163 Ų163138.2 Ų138.276%0.76275%0.751SS**  trans43.7127.1169.5-66.1-165.2158.800119.7V76E74-V76 PolarHBondContact O-N 3.17Å; E74-V76 VanDerWaalsContact O-N 3.15Å
75P45.3Very low43.2Very low116 Ų116142.2 Ų142.275%0.75376%0.762SS**  trans-74.6106.3170.531.3-29.9000109.2
76V45.9Very low43.7Very low122 Ų122138.3 Ų138.374%0.73974%0.744SS**  trans-87123.8167.2-179.70000108.5E74 S78E74-V76 PolarHBondContact O-N 3.17Å; E74-V76 VanDerWaalsContact O-N 3.15Å; V76-S78 PolarHBondContact O-N 2.94Å
77D42.9Very low44.1Very low146 Ų146136.8 Ų136.878%0.78174%0.739SS**  trans-41.2117.5179.2-98.4-35.8000112.8T79D77-T79 VanDerWaalsContact C-N 3.25Å; D77-T79 PolarHBondContact O-N 3.22Å; D77-T79 VanDerWaalsContact O-N 3.1Å
78S41.6Very low44.3Very low107 Ų107139.5 Ų139.575%0.74874%0.736SS**  trans-87.242.7-172.8-33.10000113V76V76-S78 PolarHBondContact O-N 2.94Å
79T41.8Very low44.6Very low123 Ų123138.8 Ų138.876%0.75573%0.734SS**SBendtrans-100.40.4-179.3430000115.5D77D77-T79 VanDerWaalsContact C-N 3.25Å; D77-T79 PolarHBondContact O-N 3.22Å; D77-T79 VanDerWaalsContact O-N 3.1Å
80E43.7Very low45.3Very low181 Ų181138.1 Ų138.185%0.84673%0.726SS**  trans-140.764.1179.3-68-172.8168.700111.8
81I46.2Very low45.6Very low143 Ų143136.6 Ų136.673%0.73372%0.717SS**  trans-110.669.5161.8-51.7177.4000106.8L83I81-L83 PolarHBondContact O-N 3.38Å
82L44.8Very low46Very low163 Ų163136.9 Ų136.985%0.85371%0.712SS**  trans-66.9112.2158.5-159.6135.8000104.8D84L82-D84 VanDerWaalsContact C-N 3.31Å; L82-D84 PolarHBondContact O-N 3.45Å
83L41.1Very low46.8Very low160 Ų160130.6 Ų130.684%0.83869%0.691SS**  trans-52.591.4-176-69.5161.7000110.4I81I81-L83 PolarHBondContact O-N 3.38Å
84D43.5Very low47.2Very low100 Ų100129.2 Ų129.254%0.53568%0.678SS.*  trans-88.4110.3170.5-167.1-13.1000107L82 T86 Y87L82-D84 VanDerWaalsContact C-N 3.31Å; L82-D84 PolarHBondContact O-N 3.45Å; D84-T86 PolarHBondContact O-N 3.09Å; D84-T86 WeakPolarHBondContact OD1-CB 3.35Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.43Å; D84-T86 PolarHBondContact OD1-N 3.26Å; D84-T86 PolarHBondContact OD1-OG1 2.97Å; D84-T86 PolarHBondContact OD2-OG1 3.48Å; D84-Y87 WeakPolarHBondContact O-CB 3.42Å; D84-Y87 PolarHBondContact O-N 3.4Å
85E49.6Very low47.7Very low179 Ų179128 Ų12884%0.83668%0.676SS**THydrogen-bonded Turntrans-57.6-7.1176.2-73.7-179.4149.400112.9
86T54.3Low48Very low73 Ų73128.6 Ų128.645%0.44867%0.672SS.*THydrogen-bonded Turntrans-79.7-18.6171.862.50000114.3D84 Y88 N89 N90D84-T86 PolarHBondContact O-N 3.09Å; D84-T86 WeakPolarHBondContact OD1-CB 3.35Å; D84-T86 WeakPolarHBondContact OD1-CG2 3.43Å; D84-T86 PolarHBondContact OD1-N 3.26Å; D84-T86 PolarHBondContact OD1-OG1 2.97Å; D84-T86 PolarHBondContact OD2-OG1 3.48Å; T86-Y88 VanDerWaalsContact C-N 3.33Å; T86-Y88 PolarHBondContact O-N 2.9Å; T86-N89 PolarHBondContact O-N 3.45Å; T86-N90 PolarHBondContact O-N 3.35Å
87Y50.3Low48.2Very low158 Ų158130.7 Ų130.762%0.6267%0.674SS**Hα-helixtrans-65.6-33.3-174.6-161.8-96.7000113.1D84 M91D84-Y87 WeakPolarHBondContact O-CB 3.42Å; D84-Y87 PolarHBondContact O-N 3.4Å; Y87-M91 HydrophobicContact CD1-CE 4.38Å; Y87-M91 HydrophobicContact CE1-CE 3.92Å; Y87-M91 HydrophobicContact CE1-CG 4.47Å; Y87-M91 HydrophobicContact CE1-SD 4.33Å
88Y45.2Very low48.3Very low188 Ų188126.8 Ų126.874%0.73767%0.668SS**Hα-helixtrans-77.8-23.6178.5-88-82.3000114.1T86T86-Y88 VanDerWaalsContact C-N 3.33Å; T86-Y88 PolarHBondContact O-N 2.9Å
89N50.4Low48.2Very low125 Ų125131.5 Ų131.567%0.66867%0.67SS**Hα-helixtrans-80.2-25.7177.8-76.9-51.4000112.8T86T86-N89 PolarHBondContact O-N 3.45Å
90N54Low48Very low106 Ų106130.2 Ų130.257%0.56767%0.665SS**Hα-helixtrans-77.9-33.8175.9-75.8-12.8000112.9T86 L92 G93 D94T86-N90 PolarHBondContact O-N 3.35Å; N90-L92 VanDerWaalsContact C-N 3.34Å; N90-L92 PolarHBondContact O-N 3.07Å; N90-G93 PolarHBondContact O-N 2.92Å; N90-D94 PolarHBondContact O-N 3.5Å
91M51.1Low47.9Very low99 Ų99129.3 Ų129.349%0.48867%0.665SS.*Hα-helixtrans-68-31179.9-72.2-138.3-80.900113.5Y87 L95Y87-M91 HydrophobicContact CD1-CE 4.38Å; Y87-M91 HydrophobicContact CE1-CE 3.92Å; Y87-M91 HydrophobicContact CE1-CG 4.47Å; Y87-M91 HydrophobicContact CE1-SD 4.33Å; M91-L95 VanDerWaalsContact O-CB 3.31Å; M91-L95 WeakPolarHBondContact O-CB 3.26Å; M91-L95 PolarHBondContact O-N 3.44Å
92L52.7Low47.4Very low122 Ų122129.7 Ų129.764%0.63967%0.667SS**Hα-helixtrans-76.5-31.1174.5-143.579.7000112.1N90 L96N90-L92 VanDerWaalsContact C-N 3.34Å; N90-L92 PolarHBondContact O-N 3.07Å; L92-L96 WeakPolarHBondContact O-CG 3.48Å; L92-L96 PolarHBondContact O-N 3.35Å
93G52.5Low47.4Very low30 Ų30130.8 Ų130.831%0.30967%0.668SS.*Hα-helixtrans-63.8-49.817100000111.5N90 L96 Q97N90-G93 PolarHBondContact O-N 2.92Å; G93-L96 PolarHBondContact O-N 2.93Å; G93-Q97 WeakPolarHBondContact O-CB 3.41Å; G93-Q97 PolarHBondContact O-N 2.71Å
94D53.3Low47.4Very low109 Ų109128.8 Ų128.858%0.58367%0.665SS**Hα-helixtrans-71.5-31.6-178.6-71.8-25.5000113.2N90 L96 Q97 G98N90-D94 PolarHBondContact O-N 3.5Å; D94-L96 VanDerWaalsContact C-N 3.28Å; D94-L96 PolarHBondContact O-N 3.3Å; D94-Q97 PolarHBondContact O-N 3.09Å; D94-G98 PolarHBondContact O-N 3.06Å
95L51.3Low47.3Very low138 Ų138132.1 Ų132.172%0.72368%0.682SS**Hα-helixtrans-68.3-28.1174-143.684.4000112.5M91M91-L95 VanDerWaalsContact O-CB 3.31Å; M91-L95 WeakPolarHBondContact O-CB 3.26Å; M91-L95 PolarHBondContact O-N 3.44Å
96L51.4Low47.1Very low129 Ų129129.9 Ų129.968%0.67568%0.68SS**Hα-helixtrans-89.3-28.4175.3-68.9171.8000112.3L92 G93 D94L92-L96 WeakPolarHBondContact O-CG 3.48Å; L92-L96 PolarHBondContact O-N 3.35Å; G93-L96 PolarHBondContact O-N 2.93Å; D94-L96 VanDerWaalsContact C-N 3.28Å; D94-L96 PolarHBondContact O-N 3.3Å
97Q51.6Low46.5Very low165 Ų165132.6 Ų132.677%0.77170%0.699SS**Hα-helixtrans-74.9-28.8173.8-138.591.44900112.4G93 D94G93-Q97 WeakPolarHBondContact O-CB 3.41Å; G93-Q97 PolarHBondContact O-N 2.71Å; D94-Q97 PolarHBondContact O-N 3.09Å
98G44.4Very low46Very low64 Ų64131.7 Ų131.766%0.6670%0.704SS**SBendtrans-80.4-8.8178.600000115.3D94 S100D94-G98 PolarHBondContact O-N 3.06Å; G98-S100 VanDerWaalsContact C-N 3.28Å; G98-S100 PolarHBondContact O-N 3.17Å
99R38.8Very low46.2Very low207 Ų207128.3 Ų128.378%0.78171%0.705SS**  trans-76.285.3166.9-94.9-168.4174.5-161.8-0.1109.1I101R99-I101 WeakPolarHBondContact O-CG1 3.38Å; R99-I101 PolarHBondContact O-N 3.07Å
100S38.3Very low45.9Very low95 Ų95130.8 Ų130.866%0.66471%0.712SS**  trans-52.799.2161.8172.30000109.6G98 L102G98-S100 VanDerWaalsContact C-N 3.28Å; G98-S100 PolarHBondContact O-N 3.17Å; S100-L102 PolarHBondContact O-N 2.89Å
101I40.3Very low45.6Very low162 Ų162132.8 Ų132.883%0.83172%0.721SS**  trans-7360.3166.2-46.6170.9000107.5R99R99-I101 WeakPolarHBondContact O-CG1 3.38Å; R99-I101 PolarHBondContact O-N 3.07Å
102L37.1Very low45.1Very low151 Ų151132.4 Ų132.479%0.79173%0.729SS**  trans-157.479.7-178.6-104.6116.3000110S100S100-L102 PolarHBondContact O-N 2.89Å
103E43.6Very low44.8Very low186 Ų186133.3 Ų133.387%0.86973%0.729SS**  trans-115.7123.4154.6-157.6169.7-160.800107.7
104P40.8Very low44.1Very low118 Ų118141.8 Ų141.877%0.76675%0.754SS**PPolyproline II helixtrans-72.7142.4-177.1-11.726.9000112.5
105L41.5Very low43.3Very low171 Ų171142.4 Ų142.490%0.89577%0.766SS**PPolyproline II helixtrans-55.8133.6-176.3-64.397.7000115
106T46.7Very low42.7Very low131 Ų131141.6 Ų141.680%0.80477%0.768SS**PPolyproline II helixtrans-80.7131.1156.445.70000110.7
107P42.1Very low42.1Very low130 Ų130146.9 Ų146.984%0.84478%0.778SS**PPolyproline II helixtrans-76.1146.6-177.3-9.225.4000114.2
108I39.6Very low41.3Very low140 Ų140145 Ų14572%0.71878%0.784SS**PPolyproline II helixtrans-75.9149.3-175.5-57.5158.2000112.3E110I108-E110 HydrophobicContact CG2-CG 4.19Å
109P49.1Very low41Very low116 Ų116147.1 Ų147.175%0.75379%0.788SS**  trans-95.1106.9150.612.46.6000110.1I111P109-I111 PolarHBondContact O-N 3.42Å
110E42.9Very low40.8Very low177 Ų177143.4 Ų143.483%0.82779%0.788SS**  trans-72112.3171.6-66.8-177.7173.700109.2I108I108-E110 HydrophobicContact CG2-CG 4.19Å
111I48.1Very low40.7Very low148 Ų148144.5 Ų144.576%0.75979%0.791SS**  trans-138.1113.6161.652167.6000109.8P109P109-I111 PolarHBondContact O-N 3.42Å
112S41Very low40.2Very low91 Ų91141.4 Ų141.464%0.63678%0.784SS**  trans54.9126.9136.142.50000118.8
113E45.4Very low40.2Very low141 Ų141141.9 Ų141.966%0.65979%0.785SS**  cis-168.9161.120.4-89.6144.2-146.100107.8
114Y38.2Very low39.7Very low209 Ų209139.9 Ų139.982%0.8278%0.781SS**  trans7488.8169.8-46.7-78.2000117.2
115S37.5Very low39.6Very low121 Ų121138.9 Ų138.985%0.84677%0.774SS**  172.4105.391.3-158.70000109.3
116T38.6Very low39.1Very low122 Ų122135.4 Ų135.475%0.74876%0.764SS**  trans-61.7148.6179.447.10000113
117R38.7Very low38.5Very low239 Ų239138.5 Ų138.590%0.90277%0.767SS**  trans99.387156.4-51.7178.592.7165.45.7115.6
118S33.6Very low38.2Very low127 Ų127136.8 Ų136.889%0.88876%0.758SS**  trans-147.989.8134.6-166.70000109.1
119S38.8Very low38.2Very low108 Ų108142.2 Ų142.276%0.75577%0.769SS**  trans-95.3124.9169.4-56.90000108
120V34.7Very low37.5Very low128 Ų128145.4 Ų145.478%0.77677%0.774SS**  trans28.5109.2137.3-161.90000115.5
121T35.9Very low37.2Very low119 Ų119141.7 Ų141.773%0.7377%0.768SS**  157121.2122.646.60000110.3
122S30.7Very low36.8Very low97 Ų97139.8 Ų139.868%0.67877%0.767SS**  trans65.4145.3137.376.30000120.5
123I36.4Very low36.6Very low160 Ų160142.1 Ų142.182%0.82177%0.773SS**  trans89.393.5157.6-51.4154.7000115.5
124N33.4Very low36.3Very low144 Ų144143.8 Ų143.877%0.7779%0.785SS**  trans-57.3170149.3-15611.4000109.9
125P39.3Very low36.3Very low97 Ų97138.6 Ų138.663%0.6378%0.78SS**  cis-124.9-171.5-20.717.78000111.4
126S30.2Very low36.4Very low98 Ų98138.4 Ų138.469%0.68578%0.775SS**  trans92.3123.5150.1-40.30000118.3
127K34.5Very low36.2Very low197 Ų197138 Ų13886%0.85778%0.777SS**  trans57.7106.2145.5-60.5173.5-178.5-179.40116.9
128S34.7Very low36Very low93 Ų93135 Ų13565%0.6577%0.774SS**  161.911511765.40000111.2
129W40.9Very low35.9Very low255 Ų255133.4 Ų133.497%0.96676%0.762SS**  trans-135.878.3134.9-79.190.9000105.6
130Q35.2Very low36.1Very low183 Ų183136.2 Ų136.286%0.85577%0.767SS**  trans-86.3114.1159.9-77.2-180-4800107.1
131S36.5Very low36.1Very low99 Ų99137.9 Ų137.969%0.69277%0.767SS**  trans-179.2131.1153-2.50000105.3
132S39.4Very low36.2Very low107 Ų107140.3 Ų140.375%0.74877%0.773SS**  cis-158.3126.316.8-600000105.2
133D37Very low36.4Very low141 Ų141146.1 Ų146.175%0.75478%0.78SS**  5894.586-157.913.6000113.1
134L37.3Very low36.4Very low175 Ų175143.9 Ų143.992%0.91678%0.777SS**  trans-160.779.4145.4-73.7-168.5000108.2
135S39.8Very low36.2Very low101 Ų101140.8 Ų140.871%0.70678%0.779SS**  trans-85.2169.2155.3-51.60000108.6
136P39.9Very low35.6Very low116 Ų116139.4 Ų139.475%0.75378%0.782SS**  -154.4152.275.736.8-14.9000118
137S34.3Very low35.7Very low113 Ų113140.8 Ų140.879%0.7979%0.786SS**  trans71.7143.4141.2-56.20000119
138E34.2Very low35.7Very low177 Ų177139.3 Ų139.383%0.82779%0.785SS**  cis-163.2138.144.6-155.9177.3170.200112.9
139S31.9Very low35.5Very low93 Ų93138.6 Ų138.665%0.6579%0.793SS**  trans36.5119.7149.370.40000122.3
140I41.6Very low35Very low168 Ų168129.7 Ų129.786%0.86278%0.78SS**  -156.2131.595.1-149.981.7000110.4
141E34.1Very low34.8Very low162 Ų162126.6 Ų126.676%0.75778%0.779SS**  trans-85.1127.4179.9166.2-170.9-167.600109.8
142I39.1Very low34.3Very low170 Ų170128.6 Ų128.687%0.87279%0.787SS**  trans-145.6106.8138.4-56.3-173000110.1
143R34.9Very low34.1Very low219 Ų219127.3 Ų127.383%0.82678%0.783SS**  trans11.2152.4158.6-101.9-151.5160.795.6-4.9124.7
144P35.4Very low33.7Very low114 Ų114127.1 Ų127.174%0.7479%0.787SS**  trans-108.5175.8-163.444.6-35.6000113.8
145G29.7Very low33.5Very low79 Ų79125.5 Ų125.581%0.81478%0.779SS**  trans122.4115.4144.600000113.1
146G27.6Very low33.1Very low67 Ų67126 Ų12669%0.69178%0.778SS**  trans161.538.9169.900000118.9
147V31.9Very low32.9Very low127 Ų127126.7 Ų126.777%0.7779%0.785SS**  trans47.9126.1140-1070000120.4
148I34.4Very low33.3Very low166 Ų166132.2 Ų132.285%0.85179%0.789SS**  trans88.3105.1139.7-55.4154.7000116.4
149G31.3Very low33.3Very low78 Ų78135 Ų13580%0.80479%0.792SS**  trans112.2103.3143.200000114.8
150G30.3Very low33.8Very low68 Ų68139 Ų13970%0.70181%0.805SS**  trans10077.715200000116.4
151S29.2Very low33.9Very low119 Ų119138.8 Ų138.883%0.83281%0.805SS**  trans47.480.8133.9-1730000117.9
152T27.7Very low34Very low140 Ų140138 Ų13886%0.85980%0.801SS**  trans-122.482.4154.856.30000109
153A34.7Very low34.3Very low81 Ų81135.8 Ų135.867%0.66980%0.797SS**  trans-104.993.7170.700000109N155A153-N155 PolarHBondContact O-N 3.24Å
154T28.1Very low34.5Very low136 Ų136132.1 Ų132.183%0.83479%0.788SS**  trans-57.8122.2159.143.90000109.8
155N32.8Very low34.7Very low141 Ų141135.4 Ų135.475%0.75480%0.798SS**  trans-140.4108.2172-105.6-31.6000111.6A153A153-N155 PolarHBondContact O-N 3.24Å
156V31.5Very low35Very low113 Ų113138.8 Ų138.869%0.68579%0.792SS**  trans52.992.8132.4-150.80000119.2
157S35.7Very low35.4Very low129 Ų129141.5 Ų141.590%0.90280%0.801SS**PPolyproline II helixtrans-91.1120.9153.4-74.10000110.3
158R42.5Very low35.4Very low230 Ų230141.9 Ų141.987%0.86880%0.798SS**PPolyproline II helixtrans-73.1142.1-176.8-65.6178-176.4-168.30.5111.7
159R33.9Very low35.4Very low235 Ų235145 Ų14589%0.88780%0.799SS**PPolyproline II helixtrans-48.2130.6168.2-76.6166153165.1-8.4112.7
160L44.3Very low35.6Very low176 Ų176146.5 Ų146.592%0.92179%0.793SS**PPolyproline II helixtrans-102.9130.6147.7-74.3173.6000108.2
161L42.8Very low35.8Very low164 Ų164148.2 Ų148.286%0.85980%0.795SS**PPolyproline II helixtrans-73.2136.7-175.5-72.6152.9000111
162H36.5Very low36.1Very low147 Ų147150.2 Ų150.268%0.68179%0.79SS**PPolyproline II helixtrans-67162.2165.3-113.3-84.1000111.2F164H162-F164 HydrophobicContact CB-CD2 4.18Å; H162-F164 HydrophobicContact CB-CE2 4.18Å
163P45.9Very low36.6Very low122 Ų122150.9 Ų150.979%0.79278%0.784SS**  -115.8139.6118.90.119.1000111.1
164F37.4Very low36.7Very low143 Ų143151.5 Ų151.563%0.62778%0.783SS**  trans-78.6135.9172.9-72.3-98.6000110.3H162 H166H162-F164 HydrophobicContact CB-CD2 4.18Å; H162-F164 HydrophobicContact CB-CE2 4.18Å; F164-H166 AromaticContact CD1-CD2 3.86Å; F164-H166 AromaticContact CD1-NE2 3.55Å; F164-H166 AromaticContact CE1-NE2 3.77Å
165L41.7Very low37.1Very low182 Ų182154.4 Ų154.495%0.95379%0.785SS**  trans-141.397.2140.8-85.1176000108.2
166H34Very low37.3Very low151 Ų151153.4 Ų153.470%0.69979%0.788SS**  trans-74.8137.4165.7-71.6-59.5000109.7F164F164-H166 AromaticContact CD1-CD2 3.86Å; F164-H166 AromaticContact CD1-NE2 3.55Å; F164-H166 AromaticContact CE1-NE2 3.77Å
167S36.3Very low37.3Very low124 Ų124151.7 Ų151.787%0.86779%0.794SS**  -156.2131.3127.7-144.60000112.3
168N32.1Very low37.4Very low135 Ų135151.7 Ų151.772%0.72279%0.79SS**  trans-71.8146.5-171.1-75.2-59.6000114.6
169R35.1Very low37.3Very low231 Ų231149.6 Ų149.687%0.87279%0.791SS**  174.7103.8126.6-104174.3151-178.4-7.6108.3
170T34.4Very low37.3Very low110 Ų110147.9 Ų147.968%0.67579%0.79SS**  36.2124.685.773.70000111.8
171S34.8Very low36.8Very low104 Ų104145.1 Ų145.173%0.72779%0.785SS**  cis175.5156.212.538.60000105.8
172H35.5Very low36.3Very low161 Ų161147.3 Ų147.375%0.74579%0.788SS**  trans85128.1146-123.5-109.2000120.3
173E37.8Very low36.3Very low154 Ų154149.7 Ų149.772%0.7280%0.796SS**  trans98.492.1139.6-116.2158.9159.500120.8
174S38.4Very low35.7Very low94 Ų94151.6 Ų151.666%0.65780%0.8SS**  70.3113.2117.2-57.10000121.3
175F34.8Very low35.9Very low197 Ų197150.6 Ų150.686%0.86481%0.808SS**  trans46.3116.7130.6-78.5-91.5000119.3
176S37.7Very low35.4Very low119 Ų119145.9 Ų145.983%0.83280%0.795SS**  171.9110.8106.8-77.10000113.2
177G31.6Very low35.3Very low77 Ų77146.8 Ų146.879%0.79480%0.804SS**  79.9149128.100000120.5
178P38.2Very low35.1Very low129 Ų129145.7 Ų145.784%0.83880%0.796SS**  trans-107.8141.2-160.136.6-23.6000113.5
179Q39.1Very low35.1Very low187 Ų187145.3 Ų145.387%0.87480%0.799SS**  trans-141.8107.2165.7-93.5-169.4-13.700113
180K35.5Very low35Very low199 Ų199141.7 Ų141.787%0.86579%0.791SS**  21.2114.9127.6-59.3175180-179.20116
181S34.3Very low34.8Very low118 Ų118141.9 Ų141.983%0.82580%0.797SS**  -178.6128.6108.853.50000111.7
182F31Very low34.9Very low209 Ų209144.4 Ų144.492%0.91780%0.801SS**  trans-62.5125.6164-73.5-99.1000110.1
183K37.7Very low34.8Very low198 Ų198141.7 Ų141.786%0.86180%0.8SS**  trans-168.4105.2145.2-124.6163.61791750111.2
184N32.5Very low34.5Very low161 Ų161139.8 Ų139.886%0.86180%0.804SS**  trans-61.1142.4149.8-82.7-38.5000108.6
185P41.4Very low34.5Very low123 Ų123142.8 Ų142.880%0.79981%0.811SS**  trans-119.8106.314528.8-13.5000108.9
186A30.8Very low34.4Very low83 Ų83142.1 Ų142.169%0.68681%0.81SS**  trans-59.1152.7148.600000109.4
187L31.3Very low34.4Very low169 Ų169141.9 Ų141.989%0.88581%0.809SS**  trans76.9106162.2-47.2175.2000117
188S32.3Very low34.7Very low101 Ų101146 Ų14671%0.70681%0.807SS**  trans-153.888.5134.2-169.60000110.3H190S188-H190 PolarHBondContact O-N 2.94Å
189V32.3Very low35.2Very low127 Ų127145.6 Ų145.677%0.7780%0.804SS**  trans-70.9111.8155177.50000105.8
190H34.1Very low35.1Very low155 Ų155143.4 Ų143.472%0.71880%0.799SS**  trans-121.697.6166.3-102.339.6000109S188 I192S188-H190 PolarHBondContact O-N 2.94Å; H190-I192 PolarHBondContact O-N 3.09Å
191S30.8Very low35.5Very low114 Ų114144.6 Ų144.680%0.79780%0.798SS**  trans-56.1123.2158.6-49.40000109
192I36.7Very low35.9Very low157 Ų157144.3 Ų144.381%0.80579%0.786SS**  trans-125.3118.3168.2-26.5179000108.7H190H190-I192 PolarHBondContact O-N 3.09Å
193S32.7Very low36.1Very low105 Ų105145.6 Ų145.673%0.73479%0.785SS**  trans-29.7130.7177.7-680000119.7
194S31.9Very low36.5Very low114 Ų114145 Ų14580%0.79778%0.777SS**  18.6109.3119.5170.60000117.9
195I37.7Very low36.8Very low157 Ų157142.1 Ų142.181%0.80577%0.77SS**  trans-153.3106.5146.98.6174000110.9
196H33.1Very low36.9Very low182 Ų182144.3 Ų144.384%0.84376%0.763SS**  trans52.1109.7133.4-118.8-66.4000119.6
197S38.2Very low37.2Very low115 Ų115148.2 Ų148.280%0.80477%0.767SS**  169.592.8117.739.30000112.4
198E37.1Very low37.5Very low163 Ų163144.5 Ų144.576%0.76275%0.751SS**  trans-92.1131.7162.8-142.9-106.717800107.3D200E198-D200 PolarHBondContact O-N 3.02Å
199P48.8Very low38.1Very low120 Ų120147.6 Ų147.678%0.77975%0.754SS**  trans-92.585.3172.933.7-26.9000110R201P199-R201 PolarHBondContact O-N 3.16Å
200D36Very low38.4Very low141 Ų141146.5 Ų146.575%0.75475%0.753SS**  trans-67.3104.2160.6-163.21000108.9E198E198-D200 PolarHBondContact O-N 3.02Å
201R44.4Very low39Very low225 Ų225146.3 Ų146.385%0.84975%0.754SS**  trans-141.8103.1164.3-95.5-167.5-169.3-167.64.5112.5P199P199-R201 PolarHBondContact O-N 3.16Å
202I42.9Very low39.3Very low111 Ų111148.7 Ų148.757%0.56975%0.752SS**  trans90.173.3136.7-49.2158.9000115R204I202-R204 PolarHBondContact O-N 3.39Å
203R36.2Very low39.4Very low237 Ų237146.8 Ų146.889%0.89475%0.753SS**  -5.1110.8115.9176179.3148.1149.2-2.6114
204R45.4Very low39.7Very low185 Ų185147.4 Ų147.470%0.69876%0.755SS**  trans-160.499.3149.2-106.7-174.3-831722111I202 Y206I202-R204 PolarHBondContact O-N 3.39Å; R204-Y206 WeakPolarHBondContact CD-OH 3.41Å; R204-Y206 HydrophobicContact CG-CE1 4.01Å; R204-Y206 WeakPolarHBondContact CG-OH 3.48Å
205S39.1Very low40.1Very low101 Ų101145.3 Ų145.371%0.70675%0.751SS**  trans-90.9122.1171.341.60000110.9
206Y42.8Very low40.2Very low169 Ų169146.2 Ų146.266%0.66375%0.752SS**  trans-170.8114.6154.118.2-106.4000108.4R204R204-Y206 WeakPolarHBondContact CD-OH 3.41Å; R204-Y206 HydrophobicContact CG-CE1 4.01Å; R204-Y206 WeakPolarHBondContact CG-OH 3.48Å
207E37.7Very low40.4Very low164 Ų164144 Ų14477%0.76675%0.746SS**  92.9105.881-167.683.6-136.400110.8
208T36.8Very low40.1Very low91 Ų91144 Ų14456%0.55875%0.745SS**  trans60.8130.1131.6-320000116.5
209H45.3Very low40.3Very low166 Ų166147.3 Ų147.377%0.76975%0.752SS**  -174154.672.2-50.2-77.5000105.6
210S39.3Very low40Very low105 Ų105149.5 Ų149.573%0.73475%0.754SS**  173.3127.850.8-166.10000109.5
211M46.1Very low40.2Very low150 Ų150149.3 Ų149.374%0.73975%0.753SS**  trans44.3106.1143.7-44.5-56.7-8600119.1
212E38.1Very low40Very low164 Ų164146 Ų14677%0.76675%0.751SS**  81.3110.585.3-171.7161.7-174.300114.6
213S38Very low39.8Very low117 Ų117145.3 Ų145.382%0.81876%0.757SS**  trans-171.6122.2133.2-168.70000110.1
214P39.2Very low39.9Very low119 Ų119139.7 Ų139.777%0.77375%0.753SS**  trans-93.7132.5176.234.6-26.8000110.4
215G40.3Very low39.6Very low70 Ų70135 Ų13572%0.72275%0.749SS**  trans157139.1166.100000114.7
216Q40Very low39.5Very low175 Ų175138.7 Ų138.782%0.81876%0.76SS**  trans86.390.4160.7-82.5159.6-23.400118.6
217D37.3Very low39.4Very low135 Ų135139.6 Ų139.672%0.72276%0.762SS**  59.7109.4109.4-55.2-23.8000118.1
218C32Very low39.4Very low117 Ų117138 Ų13879%0.79176%0.764SS**  trans22.2116.1134.3-54.40000116.7
219Y41Very low39.9Very low232 Ų232140.7 Ų140.791%0.9177%0.77SS**  -168.1123.5125.6-109.4-81.7000109.3D221Y219-D221 PolarHBondContact O-N 3.34Å
220M42.7Very low39.4Very low165 Ų165138.2 Ų138.281%0.81377%0.771SS**  trans-58.1125165.6-86.5-80.9174.200109.3L222M220-L222 HydrophobicContact SD-CD1 4.46Å; M220-L222 HydrophobicContact SD-CG 4.4Å
221D39.1Very low39.6Very low138 Ų138138 Ų13874%0.73877%0.769SS**  trans-124.181.9165.6-153.40.8000109.9Y219 S223Y219-D221 PolarHBondContact O-N 3.34Å; D221-S223 VanDerWaalsContact C-N 3.28Å; D221-S223 PolarHBondContact O-N 2.94Å
222L41.4Very low39.3Very low154 Ų154142 Ų14281%0.80678%0.776SS**  trans-8566.1166.4-71.5171000108.6M220M220-L222 HydrophobicContact SD-CD1 4.46Å; M220-L222 HydrophobicContact SD-CG 4.4Å
223S39Very low39.3Very low98 Ų98139.9 Ų139.969%0.68578%0.779SS**  trans-16364.5177.2-82.70000114.3D221D221-S223 VanDerWaalsContact C-N 3.28Å; D221-S223 PolarHBondContact O-N 2.94Å
224S38.4Very low39.7Very low118 Ų118139.1 Ų139.183%0.82577%0.774SS**  trans-170.7127.5149.151.80000106.8
225S37.6Very low40Very low86 Ų86137 Ų13760%0.60176%0.762SS**  -166104.851.2164.90000107.7R227S225-R227 VanDerWaalsContact C-N 3.29Å; S225-R227 PolarHBondContact O-N 3.47Å
226L36.7Very low40.6Very low179 Ų179140 Ų14094%0.93776%0.761SS**  trans-62.193.6157.3-77.1163000107.8
227R42.5Very low41.6Very low188 Ų188134.2 Ų134.271%0.70974%0.743SS**  trans-112.990.4169.1-125.7171.7-158.4164.911.4109.9S225 H229S225-R227 VanDerWaalsContact C-N 3.29Å; S225-R227 PolarHBondContact O-N 3.47Å; R227-H229 VanDerWaalsContact CD-NE2 3.25Å; R227-H229 WeakPolarHBondContact CD-NE2 3.4Å; R227-H229 WeakPolarHBondContact CG-NE2 3.32Å; R227-H229 PolarHBondContact O-N 3.42Å; R227-H229 VanDerWaalsContact O-N 3.15Å
228T35.8Very low42.4Very low131 Ų131132.6 Ų132.680%0.80473%0.731SS**  trans-59.9103164.149.10000109.6
229H47.4Very low43.7Very low148 Ų148133.8 Ų133.869%0.68572%0.723SS**  trans-11394.4164.1-61.5-60.8000109.1R227 S231R227-H229 VanDerWaalsContact CD-NE2 3.25Å; R227-H229 WeakPolarHBondContact CD-NE2 3.4Å; R227-H229 WeakPolarHBondContact CG-NE2 3.32Å; R227-H229 PolarHBondContact O-N 3.42Å; R227-H229 VanDerWaalsContact O-N 3.15Å; H229-S231 PolarHBondContact O-N 3.29Å
230S36.4Very low44.7Very low113 Ų113126.9 Ų126.979%0.7970%0.702SS**  trans-40.6121.3156.6169.50000110.9
231S42.4Very low45.7Very low100 Ų100126.3 Ų126.370%0.69969%0.691SS**  170.1107119.4-72.10000110.4H229H229-S231 PolarHBondContact O-N 3.29Å
232R40.8Very low46.5Very low235 Ų235125 Ų12589%0.88768%0.683SS**  trans41.7118.6133.4-71.6174.2142.1172.4-7.5118.1
233S38Very low47.1Very low119 Ų119123.6 Ų123.683%0.83267%0.672SS**  trans69.379.214653.10000117.7
234S45.8Very low47.8Very low102 Ų102123.9 Ų123.971%0.71367%0.67SS**  trans-157.2128.9149.254.50000107.6
235S44.6Very low48.2Very low73 Ų73122 Ų12251%0.5166%0.657SS.*  cis-166140.6-16.3173.40000101.7A237 E238S235-A237 PolarHBondContact O-N 3.49Å; S235-A237 VanDerWaalsContact OG-CB 3.24Å; S235-A237 WeakPolarHBondContact OG-CB 3.49Å; S235-A237 PolarHBondContact OG-N 2.93Å; S235-E238 PolarHBondContact O-N 2.94Å
236L53.9Low48.8Very low133 Ų133123.6 Ų123.670%0.69667%0.667SS**Hα-helixtrans-50.4-20.4169.5-175.3140.2000111.7E238 F239 L240L236-E238 PolarHBondContact O-N 3.41Å; L236-F239 PolarHBondContact O-N 3.44Å; L236-L240 HydrophobicContact CD2-CD1 3.42Å; L236-L240 VanDerWaalsContact CD2-CD1 3.42Å; L236-L240 HydrophobicContact CD2-CG 3.84Å; L236-L240 WeakPolarHBondContact O-CG 3.42Å; L236-L240 PolarHBondContact O-N 3.11Å
237A60.9Low49.4Very low55 Ų55122.4 Ų122.446%0.45566%0.661SS.*Hα-helixtrans-62-30.2169.100000115.5S235 R241S235-A237 PolarHBondContact O-N 3.49Å; S235-A237 VanDerWaalsContact OG-CB 3.24Å; S235-A237 WeakPolarHBondContact OG-CB 3.49Å; S235-A237 PolarHBondContact OG-N 2.93Å; A237-R241 WeakPolarHBondContact O-CB 3.49Å; A237-R241 PolarHBondContact O-N 3.42Å
238E53.7Low49.8Very low101 Ų101117 Ų11747%0.47267%0.665SS.*Hα-helixtrans-75.3-33.8176.6-163.8164.9-140.500111.1S235 L236 R241 L242S235-E238 PolarHBondContact O-N 2.94Å; L236-E238 PolarHBondContact O-N 3.41Å; E238-R241 IonicContact OE1-NH2 3.75Å; E238-L242 WeakPolarHBondContact O-CB 3.43Å; E238-L242 WeakPolarHBondContact O-CD1 3.46Å; E238-L242 WeakPolarHBondContact O-CG 3.48Å; E238-L242 PolarHBondContact O-N 3.03Å
239F59.6Low50.4Low141 Ų141116.5 Ų116.562%0.61867%0.666SS**Hα-helixtrans-70.5-47.2172.7-154.7-92.8000111.7L236 R241 L242 E243L236-F239 PolarHBondContact O-N 3.44Å; F239-R241 VanDerWaalsContact C-N 3.31Å; F239-R241 PolarHBondContact O-N 3.31Å; F239-L242 PolarHBondContact O-N 3.39Å; F239-E243 HydrophobicContact CD1-CG 4.34Å; F239-E243 HydrophobicContact CE1-CG 4.39Å; F239-E243 VanDerWaalsContact CE1-OE1 3.24Å; F239-E243 WeakPolarHBondContact CE1-OE1 3.25Å; F239-E243 WeakPolarHBondContact O-CG 3.23Å; F239-E243 PolarHBondContact O-N 3.09Å
240L61.1Low50.5Low87 Ų87120.9 Ų120.946%0.45568%0.677SS.*Hα-helixtrans-62.8-36.3173.6-71.9177000112.2L236 E243 T244L236-L240 HydrophobicContact CD2-CD1 3.42Å; L236-L240 VanDerWaalsContact CD2-CD1 3.42Å; L236-L240 HydrophobicContact CD2-CG 3.84Å; L236-L240 WeakPolarHBondContact O-CG 3.42Å; L236-L240 PolarHBondContact O-N 3.11Å; L240-E243 PolarHBondContact O-N 2.76Å; L240-T244 WeakPolarHBondContact O-CG2 3.29Å; L240-T244 PolarHBondContact O-N 3Å; L240-T244 PolarHBondContact O-OG1 3Å
241R65.1Low51.1Low154 Ų154118.1 Ų118.158%0.58167%0.666SS**Hα-helixtrans-66.6-42.7176.2-163.6179.170.5-161.6-3.9110.5A237 E238 F239 E243 T244 S245A237-R241 WeakPolarHBondContact O-CB 3.49Å; A237-R241 PolarHBondContact O-N 3.42Å; E238-R241 IonicContact OE1-NH2 3.75Å; F239-R241 VanDerWaalsContact C-N 3.31Å; F239-R241 PolarHBondContact O-N 3.31Å; R241-E243 VanDerWaalsContact C-N 3.35Å; R241-T244 WeakPolarHBondContact CA-OG1 3.43Å; R241-T244 CarbonylContact O-C 3.6Å; R241-T244 PolarHBondContact O-N 2.75Å; R241-T244 PolarHBondContact O-OG1 3.48Å; R241-S245 WeakPolarHBondContact O-CB 3.46Å; R241-S245 PolarHBondContact O-N 3.27Å; R241-S245 VanDerWaalsContact O-N 3.07Å; R241-S245 PolarHBondContact O-OG 3.25Å
242L55.7Low51.3Low110 Ų110120.4 Ų120.458%0.57667%0.67SS**Hα-helixtrans-62.3-37.9172.7-83.8157.2000112.4E238 F239 T244 S245E238-L242 WeakPolarHBondContact O-CB 3.43Å; E238-L242 WeakPolarHBondContact O-CD1 3.46Å; E238-L242 WeakPolarHBondContact O-CG 3.48Å; E238-L242 PolarHBondContact O-N 3.03Å; F239-L242 PolarHBondContact O-N 3.39Å; L242-T244 VanDerWaalsContact C-N 3.34Å; L242-T244 PolarHBondContact O-N 3.19Å; L242-S245 PolarHBondContact O-N 3.03Å; L242-S245 VanDerWaalsContact O-N 3.16Å
243E54.6Low51.8Low124 Ų124116.7 Ų116.758%0.57967%0.667SS**Hα-helixtrans-66.9-32.7174.3-76179.3164.200112.7F239 L240 R241 S245F239-E243 HydrophobicContact CD1-CG 4.34Å; F239-E243 HydrophobicContact CE1-CG 4.39Å; F239-E243 VanDerWaalsContact CE1-OE1 3.24Å; F239-E243 WeakPolarHBondContact CE1-OE1 3.25Å; F239-E243 WeakPolarHBondContact O-CG 3.23Å; F239-E243 PolarHBondContact O-N 3.09Å; L240-E243 PolarHBondContact O-N 2.76Å; R241-E243 VanDerWaalsContact C-N 3.35Å; E243-S245 VanDerWaalsContact C-N 3.33Å
244T53.2Low52.2Low104 Ų104115.1 Ų115.164%0.63866%0.655SS**G310 helixtrans-81.5-7.1172.859.30000114.2L240 R241 L242L240-T244 WeakPolarHBondContact O-CG2 3.29Å; L240-T244 PolarHBondContact O-N 3Å; L240-T244 PolarHBondContact O-OG1 3Å; R241-T244 WeakPolarHBondContact CA-OG1 3.43Å; R241-T244 CarbonylContact O-C 3.6Å; R241-T244 PolarHBondContact O-N 2.75Å; R241-T244 PolarHBondContact O-OG1 3.48Å; L242-T244 VanDerWaalsContact C-N 3.34Å; L242-T244 PolarHBondContact O-N 3.19Å
245S46.5Very low52.4Low80 Ų80116 Ų11656%0.55966%0.656SS**G310 helixtrans-93.53.5-174.1-59.20000114.1R241 L242 E243R241-S245 WeakPolarHBondContact O-CB 3.46Å; R241-S245 PolarHBondContact O-N 3.27Å; R241-S245 VanDerWaalsContact O-N 3.07Å; R241-S245 PolarHBondContact O-OG 3.25Å; L242-S245 PolarHBondContact O-N 3.03Å; L242-S245 VanDerWaalsContact O-N 3.16Å; E243-S245 VanDerWaalsContact C-N 3.33Å
246C49.8Very low52.4Low119 Ų119118.4 Ų118.480%0.80466%0.663SS**G310 helixtrans-99.414.4176.8-66.60000113.4
247D49Very low52.2Low153 Ų153119.4 Ų119.482%0.81867%0.669SS**  trans-99.880.6178.4-155.816000109.1
248G51.3Low51.9Low76 Ų76122.4 Ų122.478%0.78468%0.682SS**SBendtrans-179-1.1-176.300000118.4
249S48.9Very low51.8Low119 Ų119123.6 Ų123.683%0.83269%0.691SS**  trans-130.851.1176.9-156.70000111.2G251S249-G251 PolarHBondContact O-N 3.4Å
250R48.3Very low51.6Low241 Ų241122.8 Ų122.891%0.90969%0.693SS**  trans-73.391.2153.7-73179.784116.1-2.1105.2D252R250-D252 PolarHBondContact O-N 2.96Å
251G49.3Very low51.3Low55 Ų55123.6 Ų123.657%0.56770%0.698SS**  trans-45.3132.6165.900000108.5S249 L253S249-G251 PolarHBondContact O-N 3.4Å; G251-L253 PolarHBondContact O-N 3.35Å
252D46.4Very low50.8Low148 Ų148121.2 Ų121.279%0.79170%0.697SS**  trans-52.579.1171.4-17019.1000109.6R250 C254R250-D252 PolarHBondContact O-N 2.96Å; D252-C254 VanDerWaalsContact C-N 3.27Å; D252-C254 PolarHBondContact O-N 3.48Å; D252-C254 VanDerWaalsContact O-N 3.17Å
253L53.1Low50.8Low156 Ų156121 Ų12182%0.81770%0.696SS**  trans-78.692.4163.1-72.2171.2000104.2G251 V255G251-L253 PolarHBondContact O-N 3.35Å; L253-V255 PolarHBondContact O-N 3.41Å
254C46.5Very low51Low86 Ų86120.8 Ų120.858%0.58169%0.693SS**  trans-42.9115.4157.3-69.90000106.4D252 D256D252-C254 VanDerWaalsContact C-N 3.27Å; D252-C254 PolarHBondContact O-N 3.48Å; D252-C254 VanDerWaalsContact O-N 3.17Å; C254-D256 PolarHBondContact O-N 2.99Å
255V48.2Very low51.2Low121 Ų121123.9 Ų123.973%0.73369%0.693SS**  trans-69.984.2171.4-172.20000104.4L253 D257L253-V255 PolarHBondContact O-N 3.41Å; V255-D257 VanDerWaalsContact C-N 3.33Å; V255-D257 PolarHBondContact O-N 3.49Å
256D45.8Very low51.8Low124 Ų124125.3 Ų125.366%0.66369%0.694SS**  trans-62.798.5169.5-77.5-36.1000106.6C254 V258C254-D256 PolarHBondContact O-N 2.99Å; D256-V258 VanDerWaalsContact C-N 3.33Å; D256-V258 WeakPolarHBondContact O-CG2 3.48Å; D256-V258 PolarHBondContact O-N 3.18Å
257D49.2Very low52.5Low154 Ų154123.8 Ų123.882%0.82468%0.684SS**SBendtrans30.142.4144.4-67.2-35.7000119.9V255V255-D257 VanDerWaalsContact C-N 3.33Å; V255-D257 PolarHBondContact O-N 3.49Å
258V54Low53.4Low117 Ų117121.8 Ų121.871%0.70967%0.67SS**  trans-102.74.9173.8-154.90000113.8D256D256-V258 VanDerWaalsContact C-N 3.33Å; D256-V258 WeakPolarHBondContact O-CG2 3.48Å; D256-V258 PolarHBondContact O-N 3.18Å
259D52.8Low54.5Low126 Ų126124.2 Ų124.267%0.67466%0.66SS**THydrogen-bonded Turntrans-94.215.9-175.7-78.8-25.6000115.1
260N54.9Low55.8Low124 Ų124123.2 Ų123.266%0.66365%0.646SS**THydrogen-bonded Turntrans-101.1-13.2-178.9-102.4-56.2000115.6
261D55.1Low57.4Low104 Ų104117 Ų11756%0.55663%0.627SS**Hα-helixtrans-88.2-27.3-175.9-84-27.2000113.4K264 R265D261-K264 PolarHBondContact O-N 3.45Å; D261-R265 WeakPolarHBondContact O-CG 3.45Å; D261-R265 PolarHBondContact O-N 3.04Å; D261-R265 VanDerWaalsContact O-N 3.11Å
262D54.4Low59Low104 Ų104118 Ų11856%0.55663%0.625SS**Hα-helixtrans-73.5-39.4-180-75.2-26.3000112.1K264 R265 L266D262-K264 VanDerWaalsContact C-N 3.28Å; D262-K264 PolarHBondContact O-N 3.41Å; D262-R265 PolarHBondContact O-N 3.49Å; D262-L266 WeakPolarHBondContact O-CG 3.43Å; D262-L266 PolarHBondContact O-N 3.31Å
263D56.2Low61Low105 Ų105114.6 Ų114.656%0.56161%0.607SS**Hα-helixtrans-64.3-34.7174.2-80.2-14.2000111.6C267D263-C267 WeakPolarHBondContact O-CB 3.5Å; D263-C267 PolarHBondContact O-N 3.11Å; D263-C267 PolarHBondContact O-SG 3.37Å
264K59.1Low62.8Low120 Ų120112.8 Ų112.852%0.52259%0.594SS.*Hα-helixtrans-70.7-38.9177.5-169.3169.7179.1-68.90112.1D261 D262 C267 E268D261-K264 PolarHBondContact O-N 3.45Å; D262-K264 VanDerWaalsContact C-N 3.28Å; D262-K264 PolarHBondContact O-N 3.41Å; K264-C267 PolarHBondContact O-N 3.2Å; K264-E268 IonicContact NZ-OE1 2.71Å; K264-E268 PolarHBondContact NZ-OE1 3.26Å; K264-E268 WeakPolarHBondContact O-CG 3.48Å; K264-E268 PolarHBondContact O-N 2.85Å
265R56.9Low64.9Low169 Ų169112.8 Ų112.864%0.63859%0.588SS**Hα-helixtrans-68.8-39.3176.2-72.8-177.1-172.2-168.47.6112.6D261 D262 E268 H269D261-R265 WeakPolarHBondContact O-CG 3.45Å; D261-R265 PolarHBondContact O-N 3.04Å; D261-R265 VanDerWaalsContact O-N 3.11Å; D262-R265 PolarHBondContact O-N 3.49Å; R265-E268 PolarHBondContact O-N 2.94Å; R265-H269 PolarHBondContact O-N 2.98Å; R265-H269 VanDerWaalsContact O-N 3.09Å
266L59.3Low67.1Low110 Ų110111.8 Ų111.858%0.57658%0.578SS**Hα-helixtrans-64.5-42.8174.3-73.4168.6000111.4D262 E268 H269 D270D262-L266 WeakPolarHBondContact O-CG 3.43Å; D262-L266 PolarHBondContact O-N 3.31Å; L266-E268 PolarHBondContact O-N 3.1Å; L266-H269 PolarHBondContact O-N 2.94Å; L266-D270 PolarHBondContact O-N 3.23Å; L266-D270 VanDerWaalsContact O-N 3.07Å
267C64.1Low69.3Low87 Ų87109.3 Ų109.359%0.58856%0.564SS**Hα-helixtrans-63.2-38.1176.1-69.90000113D263 K264 Q271D263-C267 WeakPolarHBondContact O-CB 3.5Å; D263-C267 PolarHBondContact O-N 3.11Å; D263-C267 PolarHBondContact O-SG 3.37Å; K264-C267 PolarHBondContact O-N 3.2Å; C267-Q271 PolarHBondContact O-N 3.31Å; C267-Q271 VanDerWaalsContact O-N 3.17Å
268E68.6Low71.3Confident111 Ų111106.9 Ų106.952%0.51955%0.548SS..Hα-helixtrans-67.4-38.7176.5-75.6174.4-16600111.9K264 R265 L266 S272K264-E268 IonicContact NZ-OE1 2.71Å; K264-E268 PolarHBondContact NZ-OE1 3.26Å; K264-E268 WeakPolarHBondContact O-CG 3.48Å; K264-E268 PolarHBondContact O-N 2.85Å; R265-E268 PolarHBondContact O-N 2.94Å; L266-E268 PolarHBondContact O-N 3.1Å; E268-S272 PolarHBondContact O-N 2.98Å; E268-S272 VanDerWaalsContact O-N 3.1Å
269H72.8Confident73.1Confident127 Ų127104.7 Ų104.759%0.58854%0.537SS*.Hα-helixtrans-66-43.1176.9-170.6-10.8000111.9R265 L266 Q271 S272 L273R265-H269 PolarHBondContact O-N 2.98Å; R265-H269 VanDerWaalsContact O-N 3.09Å; L266-H269 PolarHBondContact O-N 2.94Å; H269-Q271 PolarHBondContact O-N 3.41Å; H269-S272 PolarHBondContact O-N 2.73Å; H269-L273 PolarHBondContact O-N 3.15Å
270D77.9Confident74.9Confident99 Ų99102.6 Ų102.653%0.52953%0.526SS..Hα-helixtrans-64.8-39.9178.6-84.9-9.3000111.9L266 L273 H274L266-D270 PolarHBondContact O-N 3.23Å; L266-D270 VanDerWaalsContact O-N 3.07Å; D270-L273 WeakPolarHBondContact O-CB 3.24Å; D270-L273 PolarHBondContact O-N 3.42Å; D270-H274 PolarHBondContact O-CD2 3.5Å; D270-H274 PolarHBondContact O-N 3.22Å
271Q81.9Confident76.6Confident110 Ų110102.3 Ų102.351%0.51452%0.52SS..Hα-helixtrans-64.3-43.1175.6-173.260.949.700111.7C267 H269 L273 H274 D275C267-Q271 PolarHBondContact O-N 3.31Å; C267-Q271 VanDerWaalsContact O-N 3.17Å; H269-Q271 PolarHBondContact O-N 3.41Å; Q271-L273 VanDerWaalsContact C-N 3.26Å; Q271-L273 PolarHBondContact O-N 3.44Å; Q271-H274 PolarHBondContact O-N 3.43Å; Q271-D275 PolarHBondContact NE2-OD1 3.28Å; Q271-D275 PolarHBondContact O-N 3.5Å
272S82.8Confident78.2Confident75 Ų75102.4 Ų102.452%0.52452%0.517SS..Hα-helixtrans-62.4-34.5176.3-177.50000112.4E268 H269 L276E268-S272 PolarHBondContact O-N 2.98Å; E268-S272 VanDerWaalsContact O-N 3.1Å; H269-S272 PolarHBondContact O-N 2.73Å; S272-L276 WeakPolarHBondContact O-CB 3.02Å; S272-L276 PolarHBondContact O-N 3.48Å; S272-L276 VanDerWaalsContact O-N 3.07Å
273L87.5Confident79.8Confident78 Ų78102.1 Ų102.141%0.40852%0.515SS..Hα-helixtrans-67.7-44175.6-169.497.2000110.7H269 D270 Q271 L276 I277H269-L273 PolarHBondContact O-N 3.15Å; D270-L273 WeakPolarHBondContact O-CB 3.24Å; D270-L273 PolarHBondContact O-N 3.42Å; Q271-L273 VanDerWaalsContact C-N 3.26Å; Q271-L273 PolarHBondContact O-N 3.44Å; L273-L276 PolarHBondContact O-N 3.26Å; L273-I277 HydrophobicContact CD2-CD1 3.95Å; L273-I277 HydrophobicContact CG-CD1 4.03Å; L273-I277 VanDerWaalsContact O-CG1 3.26Å; L273-I277 WeakPolarHBondContact O-CG1 3.49Å; L273-I277 PolarHBondContact O-N 3.47Å
274H91Very high81Confident117 Ų117102.8 Ų102.854%0.54252%0.515SS..Hα-helixtrans-61.9-43.2176.4-81.5-62.1000112.4D270 Q271 L276 I277 Q278D270-H274 PolarHBondContact O-CD2 3.5Å; D270-H274 PolarHBondContact O-N 3.22Å; Q271-H274 PolarHBondContact O-N 3.43Å; H274-L276 VanDerWaalsContact C-N 3.34Å; H274-L276 PolarHBondContact O-N 3.25Å; H274-I277 PolarHBondContact O-N 3.02Å; H274-Q278 WeakPolarHBondContact O-CB 3.31Å; H274-Q278 PolarHBondContact O-N 2.76Å
275D91.3Very high82.1Confident87 Ų87103.6 Ų103.647%0.46552%0.519SS..Hα-helixtrans-63.3-40.3176.4-69.2-5.3000111.5Q271 Q278 S279Q271-D275 PolarHBondContact NE2-OD1 3.28Å; Q271-D275 PolarHBondContact O-N 3.5Å; D275-Q278 PolarHBondContact O-N 3.25Å; D275-S279 WeakPolarHBondContact O-CB 3.37Å; D275-S279 PolarHBondContact O-N 2.97Å
276L93.3Very high83Confident100 Ų100101.6 Ų101.652%0.52452%0.516SS..Hα-helixtrans-64.9-45.3175.9178.163.2000112S272 L273 H274 Q278 S279 I280S272-L276 WeakPolarHBondContact O-CB 3.02Å; S272-L276 PolarHBondContact O-N 3.48Å; S272-L276 VanDerWaalsContact O-N 3.07Å; L273-L276 PolarHBondContact O-N 3.26Å; H274-L276 VanDerWaalsContact C-N 3.34Å; H274-L276 PolarHBondContact O-N 3.25Å; L276-Q278 VanDerWaalsContact C-N 3.31Å; L276-Q278 PolarHBondContact O-N 3.17Å; L276-S279 PolarHBondContact O-N 3.44Å; L276-I280 HydrophobicContact CD1-CD1 4.18Å; L276-I280 HydrophobicContact CD1-CG1 4.44Å; L276-I280 HydrophobicContact CG-CD1 4.11Å; L276-I280 WeakPolarHBondContact O-CG1 3.19Å; L276-I280 PolarHBondContact O-N 3.15Å
277I92.6Very high83.4Confident72 Ų72102 Ų10237%0.36952%0.515SS..Hα-helixtrans-60.6-43.8177.4-69.4164.6000110.1L273 H274 I280 Q281L273-I277 HydrophobicContact CD2-CD1 3.95Å; L273-I277 HydrophobicContact CG-CD1 4.03Å; L273-I277 VanDerWaalsContact O-CG1 3.26Å; L273-I277 WeakPolarHBondContact O-CG1 3.49Å; L273-I277 PolarHBondContact O-N 3.47Å; H274-I277 PolarHBondContact O-N 3.02Å; I277-I280 PolarHBondContact O-N 3.39Å; I277-Q281 WeakPolarHBondContact O-CG 3.36Å; I277-Q281 PolarHBondContact O-N 3.5Å
278Q91.4Very high83.5Confident103 Ų103103.4 Ų103.448%0.48152%0.516SS..Hα-helixtrans-63.7-42.6177-174.2173.8-12.900111.7H274 D275 L276 I280 Q281 E282H274-Q278 WeakPolarHBondContact O-CB 3.31Å; H274-Q278 PolarHBondContact O-N 2.76Å; D275-Q278 PolarHBondContact O-N 3.25Å; L276-Q278 VanDerWaalsContact C-N 3.31Å; L276-Q278 PolarHBondContact O-N 3.17Å; Q278-I280 PolarHBondContact O-N 3.22Å; Q278-Q281 PolarHBondContact O-N 3.3Å; Q278-E282 PolarHBondContact NE2-OE1 3.45Å; Q278-E282 VanDerWaalsContact NE2-OE1 3.09Å; Q278-E282 WeakPolarHBondContact O-CG 3.24Å; Q278-E282 PolarHBondContact O-N 3.01Å
279S90.8Very high83.1Confident70 Ų70102.9 Ų102.949%0.4952%0.517SS..Hα-helixtrans-60.3-42.1176.3-179.30000112.5D275 L276 E282 L283D275-S279 WeakPolarHBondContact O-CB 3.37Å; D275-S279 PolarHBondContact O-N 2.97Å; L276-S279 PolarHBondContact O-N 3.44Å; S279-E282 PolarHBondContact O-N 2.8Å; S279-L283 WeakPolarHBondContact O-CB 3.5Å; S279-L283 PolarHBondContact O-N 2.88Å
280I90.2Very high82.3Confident83 Ų83104.2 Ų104.243%0.42652%0.524SS..Hα-helixtrans-65.4-40.5176.4-67.1167.1000110.9L276 I277 Q278 L283 Q284L276-I280 HydrophobicContact CD1-CD1 4.18Å; L276-I280 HydrophobicContact CD1-CG1 4.44Å; L276-I280 HydrophobicContact CG-CD1 4.11Å; L276-I280 WeakPolarHBondContact O-CG1 3.19Å; L276-I280 PolarHBondContact O-N 3.15Å; I277-I280 PolarHBondContact O-N 3.39Å; Q278-I280 PolarHBondContact O-N 3.22Å; I280-L283 PolarHBondContact O-N 2.84Å; I280-Q284 WeakPolarHBondContact O-CB 3.43Å; I280-Q284 VanDerWaalsContact O-CG 3.29Å; I280-Q284 WeakPolarHBondContact O-CG 3.44Å; I280-Q284 PolarHBondContact O-N 3.26Å
281Q90.6Very high81.2Confident118 Ų118103.5 Ų103.555%0.55153%0.526SS*.Hα-helixtrans-66.4-41.1177.1-72.7176.1-6.800112.3I277 Q278 Q284 K285I277-Q281 WeakPolarHBondContact O-CG 3.36Å; I277-Q281 PolarHBondContact O-N 3.5Å; Q278-Q281 PolarHBondContact O-N 3.3Å; Q281-Q284 PolarHBondContact O-N 3.04Å; Q281-K285 WeakPolarHBondContact O-CB 3.45Å; Q281-K285 PolarHBondContact O-N 3.34Å
282E89.1Confident79.9Confident106 Ų106102.6 Ų102.650%0.49553%0.528SS..Hα-helixtrans-64.6-41.4174.7-76.8178.2-168.400111.6Q278 S279 K285 Q286Q278-E282 PolarHBondContact NE2-OE1 3.45Å; Q278-E282 VanDerWaalsContact NE2-OE1 3.09Å; Q278-E282 WeakPolarHBondContact O-CG 3.24Å; Q278-E282 PolarHBondContact O-N 3.01Å; S279-E282 PolarHBondContact O-N 2.8Å; E282-K285 WeakPolarHBondContact O-CB 3.49Å; E282-K285 PolarHBondContact O-N 2.81Å; E282-Q286 WeakPolarHBondContact O-CG 3.41Å; E282-Q286 PolarHBondContact O-N 3.17Å
283L87.8Confident78.1Confident97 Ų97101.5 Ų101.551%0.50853%0.529SS..Hα-helixtrans-63.8-42.7175.7-175.364.8000111.8S279 I280 K285 Q286 H287S279-L283 WeakPolarHBondContact O-CB 3.5Å; S279-L283 PolarHBondContact O-N 2.88Å; I280-L283 PolarHBondContact O-N 2.84Å; L283-K285 VanDerWaalsContact C-N 3.3Å; L283-K285 PolarHBondContact O-N 2.89Å; L283-Q286 PolarHBondContact O-N 2.99Å; L283-H287 PolarHBondContact O-N 3.41Å
284Q82.6Confident76Confident120 Ų120105.4 Ų105.456%0.56155%0.549SS*.Hα-helixtrans-61.9-39.6174.2-76177.5-12.200111.6I280 Q281 H287 L288I280-Q284 WeakPolarHBondContact O-CB 3.43Å; I280-Q284 VanDerWaalsContact O-CG 3.29Å; I280-Q284 WeakPolarHBondContact O-CG 3.44Å; I280-Q284 PolarHBondContact O-N 3.26Å; Q281-Q284 PolarHBondContact O-N 3.04Å; Q284-H287 PolarHBondContact O-N 3.39Å; Q284-L288 WeakPolarHBondContact O-CG 3.37Å; Q284-L288 PolarHBondContact O-N 3.04Å
285K82Confident73.7Confident137 Ų137106.4 Ų106.460%0.59656%0.557SS**Hα-helixtrans-65.1-43.7175.7-171.8-178175.5-172.20111.8Q281 E282 L283 L288 D289Q281-K285 WeakPolarHBondContact O-CB 3.45Å; Q281-K285 PolarHBondContact O-N 3.34Å; E282-K285 WeakPolarHBondContact O-CB 3.49Å; E282-K285 PolarHBondContact O-N 2.81Å; L283-K285 VanDerWaalsContact C-N 3.3Å; L283-K285 PolarHBondContact O-N 2.89Å; K285-L288 PolarHBondContact O-N 2.84Å; K285-D289 WeakPolarHBondContact O-CB 3.41Å; K285-D289 PolarHBondContact O-N 2.73Å
286Q76Confident71.2Confident126 Ų126107.9 Ų107.959%0.58957%0.57SS**Hα-helixtrans-60.9-44.7175.3-74.8-178.7-17.700111.7E282 L283 L288 D289 E290E282-Q286 WeakPolarHBondContact O-CG 3.41Å; E282-Q286 PolarHBondContact O-N 3.17Å; L283-Q286 PolarHBondContact O-N 2.99Å; Q286-L288 VanDerWaalsContact C-N 3.3Å; Q286-L288 PolarHBondContact O-N 3.42Å; Q286-D289 PolarHBondContact O-N 2.89Å; Q286-E290 VanDerWaalsContact O-CB 3.3Å; Q286-E290 WeakPolarHBondContact O-CB 3.43Å; Q286-E290 PolarHBondContact O-N 3.04Å
287H68.2Low68.7Low120 Ų120108.6 Ų108.656%0.55658%0.58SS**Hα-helixtrans-64.2-35177.4-113.6-73.5000112.5L283 Q284 S291L283-H287 PolarHBondContact O-N 3.41Å; Q284-H287 PolarHBondContact O-N 3.39Å; H287-S291 VanDerWaalsContact O-CB 3.28Å; H287-S291 WeakPolarHBondContact O-CB 3.49Å; H287-S291 PolarHBondContact O-N 3.33Å; H287-S291 VanDerWaalsContact O-N 3.11Å; H287-S291 PolarHBondContact O-OG 2.88Å
288L66.1Low66.3Low115 Ų115112.8 Ų112.860%0.60260%0.602SS**Hα-helixtrans-71.2-43174.4-72.6167.3000111.8Q284 K285 Q286 S291 T292Q284-L288 WeakPolarHBondContact O-CG 3.37Å; Q284-L288 PolarHBondContact O-N 3.04Å; K285-L288 PolarHBondContact O-N 2.84Å; Q286-L288 VanDerWaalsContact C-N 3.3Å; Q286-L288 PolarHBondContact O-N 3.42Å; L288-S291 PolarHBondContact O-N 2.96Å; L288-T292 WeakPolarHBondContact O-CB 3.07Å; L288-T292 PolarHBondContact O-N 3.49Å; L288-T292 PolarHBondContact O-OG1 2.99Å
289D59.3Low63.6Low100 Ų100113.2 Ų113.254%0.53562%0.617SS.*Hα-helixtrans-68.5-34.9179.4-78.1-23.5000112K285 Q286 T292 G293K285-D289 WeakPolarHBondContact O-CB 3.41Å; K285-D289 PolarHBondContact O-N 2.73Å; Q286-D289 PolarHBondContact O-N 2.89Å; D289-T292 PolarHBondContact O-N 3.08Å; D289-G293 PolarHBondContact O-N 2.91Å
290E56.4Low61Low156 Ų156113.2 Ų113.273%0.72963%0.628SS**Hα-helixtrans-74.8-31.5176.5-154.3166.8-150.100111.9Q286 T292Q286-E290 VanDerWaalsContact O-CB 3.3Å; Q286-E290 WeakPolarHBondContact O-CB 3.43Å; Q286-E290 PolarHBondContact O-N 3.04Å; E290-T292 VanDerWaalsContact C-N 3.32Å
291S55.3Low58.7Low84 Ų84116.4 Ų116.459%0.58765%0.646SS**Hα-helixtrans-72.5-25.5171.7-55.40000113.1H287 L288H287-S291 VanDerWaalsContact O-CB 3.28Å; H287-S291 WeakPolarHBondContact O-CB 3.49Å; H287-S291 PolarHBondContact O-N 3.33Å; H287-S291 VanDerWaalsContact O-N 3.11Å; H287-S291 PolarHBondContact O-OG 2.88Å; L288-S291 PolarHBondContact O-N 2.96Å
292T53.2Low56.6Low90 Ų90118.8 Ų118.855%0.55266%0.657SS**Hα-helixtrans-98.9-18.5-177-40.40000112.1L288 D289 E290 L294L288-T292 WeakPolarHBondContact O-CB 3.07Å; L288-T292 PolarHBondContact O-N 3.49Å; L288-T292 PolarHBondContact O-OG1 2.99Å; D289-T292 PolarHBondContact O-N 3.08Å; E290-T292 VanDerWaalsContact C-N 3.32Å; T292-L294 VanDerWaalsContact C-N 3.27Å; T292-L294 PolarHBondContact O-N 3.36Å
293G45.7Very low54.2Low52 Ų52120.7 Ų120.754%0.53667%0.671SS.*THydrogen-bonded Turntrans-72.6-10.1177.600000115.4D289D289-G293 PolarHBondContact O-N 2.91Å
294L43.4Very low52.2Low161 Ų161121.1 Ų121.184%0.84368%0.682SS**THydrogen-bonded Turntrans-98.227.2176.7-14691.6000113.5T292T292-L294 VanDerWaalsContact C-N 3.27Å; T292-L294 PolarHBondContact O-N 3.36Å
295I42Very low50.4Low137 Ų137121 Ų12170%0.70369%0.694SS**  trans-123.266.8162.7-43.1176.3000107.2P297I295-P297 VanDerWaalsContact O-CD 3.22Å; I295-P297 WeakPolarHBondContact O-CD 2.81Å
296T39.2Very low48.2Very low119 Ų119119.7 Ų119.773%0.7370%0.703SS**  trans-68.7112.9163.1-43.60000107.1L298T296-L298 PolarHBondContact O-N 3.23Å
297P41Very low46.9Very low115 Ų115119.2 Ų119.275%0.74771%0.713SS**  trans-69.1109.6167.629.1-27.9000106.1I295 S299I295-P297 VanDerWaalsContact O-CD 3.22Å; I295-P297 WeakPolarHBondContact O-CD 2.81Å; P297-S299 PolarHBondContact O-N 2.58Å
298L41.1Very low45.7Very low159 Ų159124.4 Ų124.483%0.83273%0.728SS**  trans-49.8124.2172.2-167.971.5000108.6T296 G300T296-L298 PolarHBondContact O-N 3.23Å; L298-G300 PolarHBondContact O-N 3.16Å
299S35.5Very low45.2Very low112 Ų112126.6 Ų126.678%0.78374%0.739SS**  trans-39.2127.1167.854.20000111.9P297P297-S299 PolarHBondContact O-N 2.58Å
300G36.9Very low44.5Very low71 Ų71126.7 Ų126.773%0.73275%0.754SS**  trans179.8118.9172.300000108.9L298L298-G300 PolarHBondContact O-N 3.16Å
301D40.8Very low44.2Very low150 Ų150126.7 Ų126.780%0.80276%0.757SS**  trans-48.8179.4178.7-69-53.8000114.8
302E47.2Very low43.6Very low167 Ų167125.9 Ų125.978%0.7876%0.762SS**  trans98.981.2162.4-42.2-71.8115.600114.9
303D39.4Very low42.9Very low146 Ų146127 Ų12778%0.78177%0.774SS**  51.5119.9124.5-73.4-26.5000121.3
304S45.3Very low42.8Very low106 Ų106129.4 Ų129.474%0.74178%0.782SS**  trans84.5117.7132.4-66.60000119.8
305S45.2Very low42.8Very low117 Ų117128.7 Ų128.782%0.81878%0.779SS**  trans99.185.1145.4-52.90000117.9S307S305-S307 PolarHBondContact O-N 3.07Å
306S35.6Very low43.3Very low111 Ų111130.8 Ų130.878%0.77679%0.79SS**  trans-34.2123.5144.8163.10000113.3
307S48.7Very low43.5Very low115 Ų115132.2 Ų132.280%0.80479%0.793SS**  trans-165.3106.7140.9-81.30000111.8S305S305-S307 PolarHBondContact O-N 3.07Å
308R42.6Very low43.6Very low229 Ų229135.5 Ų135.586%0.86479%0.791SS**  trans-12.5128.3151.3-47.3167.484.8-154.97114.3
309L56.3Low43.7Very low161 Ų161135.6 Ų135.684%0.84379%0.787SS**  trans-156.6121.9132.5-79.9-170.2000109.8
310A43.6Very low44.2Very low102 Ų102138.6 Ų138.684%0.84379%0.792SS**  trans-67.6129.9164.500000109.4
311I50.1Low44.4Very low156 Ų156138.3 Ų138.380%0.879%0.79SS**  trans-143.5116.4163.4-57.9-179.9000107.4
312G42.5Very low44.4Very low67 Ų67140.6 Ų140.669%0.69180%0.795SS**  trans-84.7164.3169.300000112.5
313S38.4Very low44Very low115 Ų115137.8 Ų137.880%0.80479%0.794SS**  trans71.3128150.8-162.60000120.8
314S44.2Very low44.2Very low101 Ų101137.7 Ų137.771%0.70679%0.792SS**  trans76.8141.5146.246.10000120.9
315D43Very low44Very low147 Ų147142.4 Ų142.479%0.78679%0.794SS**  trans80.291.3164.2-73.2-39.1000119.3
316I52.5Low43.5Very low180 Ų180144 Ų14492%0.92379%0.793SS**  trans-140.278.1145.5-34.7164.4000108.7
317D42.8Very low43.7Very low150 Ų150143.3 Ų143.380%0.80280%0.795SS**  trans-87.1142.4157.4-137.4-21.6000108.2
318R44.1Very low43.1Very low184 Ų184146.8 Ų146.869%0.69480%0.798SS**  trans7689159.6-156.2-178.490.2-119.36.7118.5
319Q43.1Very low43.1Very low160 Ų160143.6 Ų143.675%0.74880%0.797SS**  170.2125.3124.7-95.815978.600109.7
320I45.1Very low42.1Very low176 Ų176145.1 Ų145.190%0.90380%0.8SS**  trans169.884.3138.3-79147.1000104.4
321G42.3Very low41.5Very low65 Ų65145.4 Ų145.467%0.6780%0.796SS**  trans-87.8150.1156.200000108.6
322E40.9Very low40.7Very low197 Ų197143.4 Ų143.492%0.92180%0.796SS**  trans69.885.1153-60.1-179.3171.800118.1
323S39.2Very low40.4Very low109 Ų109145.6 Ų145.676%0.76280%0.795SS**  trans-174.6126149.1-130.20000104.2
324I42.6Very low40.2Very low144 Ų144146 Ų14674%0.73880%0.795SS**  cis-161.3137.534.5-66.6176.2000107.2
325R41.8Very low39.9Very low204 Ų204148.4 Ų148.477%0.7780%0.8SS**  trans-27.6144.3159.2-79.5163.8-81.8151.4-1.6117.7
326N33.6Very low39.4Very low150 Ų150149.2 Ų149.280%0.80280%0.803SS**  trans62.7105.7138-51.3-7000119.2
327A41Very low38.3Very low98 Ų98146.3 Ų146.381%0.8180%0.799SS**  trans-150.390.7142.900000108.8L329A327-L329 PolarHBondContact O-N 3.49Å
328E36Very low37.7Very low188 Ų188144 Ų14488%0.87980%0.801SS**  trans-60.2119.3157.8-72.1166.2144.100108.2
329L42Very low37.1Very low162 Ų162140.9 Ų140.985%0.84881%0.807SS**  trans-130.284.2156.1-77176.5000107.2A327 S331A327-L329 PolarHBondContact O-N 3.49Å; L329-S331 PolarHBondContact O-N 3.24Å
330E34.9Very low36.7Very low192 Ų192138.4 Ų138.490%0.89781%0.807SS**  trans-62.1113.3151.5-65.5-172.4153.900107.8
331S31.4Very low36.3Very low109 Ų109137.4 Ų137.476%0.76280%0.803SS**  trans-148.299.1161.1171.50000108.6L329L329-S331 PolarHBondContact O-N 3.24Å
332S33.1Very low36.1Very low114 Ų114139.9 Ų139.980%0.79781%0.807SS**  trans-62.3121.9174.8-37.30000111.8
333V36.3Very low35.9Very low112 Ų112138 Ų13868%0.67980%0.798SS**  trans-157.2121144.5-173.80000108.6L335V333-L335 HydrophobicContact CG1-CB 3.96Å; V333-L335 HydrophobicContact CG1-CD1 3.99Å; V333-L335 HydrophobicContact CG1-CG 3.91Å
334P34.4Very low35.7Very low124 Ų124138.2 Ų138.281%0.80580%0.795SS**  trans-10596.2161.232.7-19.3000108.4
335L38.3Very low35.3Very low152 Ų152136.9 Ų136.980%0.79679%0.789SS**  trans-139.6131.6173-74.5176.2000111.5V333V333-L335 HydrophobicContact CG1-CB 3.96Å; V333-L335 HydrophobicContact CG1-CD1 3.99Å; V333-L335 HydrophobicContact CG1-CG 3.91Å
336L32.2Very low35.2Very low163 Ų163133.1 Ų133.185%0.85379%0.789SS**  trans-56.4156.8-179-62.4156.2000113
337S28.9Very low35.5Very low119 Ų119131.4 Ų131.483%0.83278%0.784SS**  trans97.4135.6156.7-47.30000117.2
338A30.6Very low35.5Very low103 Ų103130.9 Ų130.985%0.85178%0.775SS**  trans85.289.4164.600000117.3
339S32.1Very low35.6Very low117 Ų117132.4 Ų132.482%0.81878%0.779SS**  -148.1112.2112-168.30000109.3
340S33.7Very low35.7Very low109 Ų109128.9 Ų128.976%0.76277%0.767SS**  trans-52.1123.3-178.637.80000113.4
341L37.1Very low36.2Very low155 Ų155127 Ų12781%0.81276%0.759SS**  trans-60.1140.4152.4-8087.4000108.7Q343L341-Q343 VanDerWaalsContact C-N 3.34Å; L341-Q343 PolarHBondContact O-N 2.96Å
342P37.2Very low36.5Very low117 Ų117130 Ų13076%0.7676%0.763SS**  trans-70.399.7159.228.9-26.8000107.3V344P342-V344 VanDerWaalsContact C-N 3.31Å; P342-V344 PolarHBondContact O-N 3.33Å
343Q37.9Very low37.1Very low157 Ų157133.2 Ų133.273%0.73477%0.765SS**  trans-65.995.2163.7-169.3178.1-6.900107.1L341 N345L341-Q343 VanDerWaalsContact C-N 3.34Å; L341-Q343 PolarHBondContact O-N 2.96Å; Q343-N345 PolarHBondContact O-N 2.98Å
344V34.4Very low37.5Very low113 Ų113136.4 Ų136.469%0.68577%0.772SS**  trans-72.682.3169.4-178.30000107.3P342 T346P342-V344 VanDerWaalsContact C-N 3.31Å; P342-V344 PolarHBondContact O-N 3.33Å; V344-T346 HydrophobicContact CG1-CG2 3.82Å; V344-T346 PolarHBondContact O-N 2.88Å
345N33.5Very low37.9Very low116 Ų116137.3 Ų137.362%0.6277%0.77SS**  trans-78.891.5155-84.6-3.9000106.8Q343 T347Q343-N345 PolarHBondContact O-N 2.98Å; N345-T347 PolarHBondContact O-N 3.24Å; N345-T347 VanDerWaalsContact O-N 3.17Å
346T40.8Very low38.1Very low125 Ų125137.5 Ų137.577%0.76777%0.771SS**  trans-83.677.7157480000108V344 S348V344-T346 HydrophobicContact CG1-CG2 3.82Å; V344-T346 PolarHBondContact O-N 2.88Å; T346-S348 PolarHBondContact O-N 3.4Å
347T40.7Very low38.4Very low115 Ų115137.9 Ų137.971%0.70677%0.768SS**  trans-50.1132.8152.913.20000108.7N345 K349N345-T347 PolarHBondContact O-N 3.24Å; N345-T347 VanDerWaalsContact O-N 3.17Å; T347-K349 PolarHBondContact O-N 2.81Å
348S40Very low38.9Very low87 Ų87137.2 Ų137.261%0.60876%0.761SS**  trans-21.3114.7168.244.20000114.2T346 S350T346-S348 PolarHBondContact O-N 3.4Å; S348-S350 PolarHBondContact O-N 2.88Å
349K37.6Very low39.2Very low220 Ų220140 Ų14096%0.95776%0.76SS**THydrogen-bonded Turntrans-62.883.4158.5-86.3178.1171.6171.50108.5T347T347-K349 PolarHBondContact O-N 2.81Å
350S45.2Very low39.4Very low87 Ų87144.6 Ų144.661%0.60876%0.761SS**THydrogen-bonded Turntrans-152.2-12.9165.455.80000115.6S348S348-S350 PolarHBondContact O-N 2.88Å
351E43.9Very low39.5Very low154 Ų154147.6 Ų147.672%0.7277%0.765SS**SBendtrans-111.1-11.1-173.8-88.2-177.4138.200117.3
352M38.5Very low39.4Very low172 Ų172147.7 Ų147.785%0.84777%0.766SS**THydrogen-bonded Turntrans-93.27.6-179-83.5-166-75.500116.1
353Q45.5Very low39.4Very low181 Ų181146.8 Ų146.885%0.84676%0.763SS**THydrogen-bonded Turntrans-99.5-0.2170.4-77.4-174.438.900114.5
354Q45.1Very low39.5Very low178 Ų178144.7 Ų144.783%0.83277%0.765SS**SBendtrans-89.1-6.9173.1-70.5-171.217.200114
355L42.4Very low39.6Very low143 Ų143144.4 Ų144.475%0.74977%0.768SS**SBendtrans-98.93.1-173.1-94156.8000115.8
356L42.3Very low39.9Very low156 Ų156146.9 Ų146.982%0.81778%0.781SS**  trans-137.624.6-178-84.6114.3000115.3P358L356-P358 WeakPolarHBondContact O-CD 3.24Å
357Q38.6Very low39.7Very low172 Ų172146.3 Ų146.380%0.80478%0.782SS**  trans-85.3122166.9-78.4-161.614.900111.6
358P38.9Very low39.6Very low105 Ų105146 Ų14668%0.68279%0.785SS**  trans-70.3134.8179.828-31.2000110.6L356 Y360L356-P358 WeakPolarHBondContact O-CD 3.24Å; P358-Y360 PolarHBondContact O-N 3.22Å
359I36.9Very low39.6Very low160 Ų160147.6 Ų147.682%0.82180%0.795SS**  trans-53.5109.1171.5-60.3163.7000108.9
360Y36.1Very low39.8Very low215 Ų215141.6 Ų141.684%0.84379%0.787SS**  trans-116.7106.8158-103.9-90000108.4P358 N362P358-Y360 PolarHBondContact O-N 3.22Å; Y360-N362 PolarHBondContact O-N 2.93Å
361M37.5Very low39.8Very low172 Ų172143.3 Ų143.385%0.84780%0.796SS**  trans-60.6127.7161.5-76.4-164.2158.800109
362N34.4Very low39.7Very low156 Ų156145 Ų14583%0.83480%0.804SS**  trans-148.9110138.8-149.628000110.3Y360Y360-N362 PolarHBondContact O-N 2.93Å
363S36.6Very low39.8Very low99 Ų99142 Ų14269%0.69280%0.797SS**  trans-59.1135.3171.333.40000112.5
364S39.9Very low39.6Very low112 Ų112138.4 Ų138.478%0.78379%0.792SS**  trans-169.3121.3146.3-78.20000112.3
365S37.4Very low39.6Very low107 Ų107135.5 Ų135.575%0.74879%0.789SS**  trans70.193.2144.336.60000122
366L39.4Very low39.3Very low169 Ų169134.8 Ų134.889%0.88579%0.793SS**  28.1117.1113.9-67.3155000118.7
367S36.9Very low39.2Very low113 Ų113132.7 Ų132.779%0.7979%0.791SS**  -170127.2123.3-850000112.3
368S38.4Very low39Very low109 Ų109131 Ų13176%0.76279%0.793SS**  trans45.6120.114468.70000118.5
369S40.2Very low38.7Very low119 Ų119132.5 Ų132.583%0.83280%0.8SS**  cis-165.1148.948.6-67.50000110.1
370A42.2Very low38.4Very low95 Ų95130.3 Ų130.379%0.78579%0.794SS**  trans-69.3158.6-172.100000114.5
371P44.4Very low38.2Very low122 Ų122124.7 Ų124.779%0.79279%0.792SS**  trans-90.4152.7-176.735.8-32.4000112.8
372Q42.5Very low38.2Very low189 Ų189125.7 Ų125.788%0.88379%0.792SS**  trans-112.7119.1168.7-172.9-179.3-19.100109.9
373P39.3Very low38.3Very low109 Ų109125.5 Ų125.571%0.70879%0.79SS**  trans-122.3133.1167.635.2-22.1000112.3
374S43.3Very low38.5Very low106 Ų106126.5 Ų126.574%0.74179%0.794SS**  trans-174.7160.1156.9-20000110.1
375P44.2Very low38.7Very low117 Ų117127.9 Ų127.976%0.7680%0.797SS**  -124.5179.8-5235-15.7000110.5
376P37Very low38.7Very low129 Ų129125.4 Ų125.484%0.83879%0.789SS**  trans-89.1143.9-158.335.4-31.3000113.6
377S39Very low38.7Very low111 Ų111125 Ų12578%0.77679%0.786SS**  trans-135.8121.8168.6-68.90000111.4
378T35.4Very low39Very low138 Ų138126.5 Ų126.585%0.84778%0.784SS**  trans67.898.71586.10000118.8T380T378-T380 PolarHBondContact O-N 3.39Å
379T32.1Very low38.9Very low135 Ų135126.5 Ų126.583%0.82878%0.783SS**  trans-56.3121.2157.3-50.70000111
380T31.4Very low38.8Very low115 Ų115126.9 Ų126.971%0.70678%0.78SS**  trans-140.1103146.1-65.20000106.4T378 K382T378-T380 PolarHBondContact O-N 3.39Å; T380-K382 HydrophobicContact CG2-CG 4.44Å; T380-K382 PolarHBondContact O-N 3.36Å
381A30.9Very low39.2Very low97 Ų97128.5 Ų128.580%0.80278%0.78SS**  trans-67.4112.9165.100000107.5
382K37.8Very low38.9Very low192 Ų192126.7 Ų126.784%0.83576%0.764SS**  trans-110.2123.9158.2-96.3178.5176.7178.40107.5T380T380-K382 HydrophobicContact CG2-CG 4.44Å; T380-K382 PolarHBondContact O-N 3.36Å
383L35.6Very low39.5Very low152 Ų152123.1 Ų123.180%0.79676%0.757SS**  trans-47.5157.1-178.9-73.3136.1000112.9V385L383-V385 PolarHBondContact O-N 3.48Å
384P41.1Very low39.9Very low120 Ų120127.5 Ų127.578%0.77976%0.761SS**  trans-59.5116.8166.926.8-31.5000107.8G386P384-G386 PolarHBondContact O-N 2.78Å
385V43.8Very low39.8Very low141 Ų141134.1 Ų134.186%0.85578%0.777SS**  trans-67.4103.9171.9175.10000106.2L383 I387L383-V385 PolarHBondContact O-N 3.48Å; V385-I387 PolarHBondContact O-N 3.25Å
386G37.9Very low39.6Very low56 Ų56135 Ų13558%0.57778%0.777SS**  trans-59.5131.2172.700000109.6P384 I388P384-G386 PolarHBondContact O-N 2.78Å; G386-I388 PolarHBondContact O-N 2.88Å; G386-I388 VanDerWaalsContact O-N 3.1Å
387I39.5Very low39.7Very low160 Ų160135.3 Ų135.382%0.82177%0.774SS**  trans-69.7106.6166.5-61.6173.8000106V385 C389V385-I387 PolarHBondContact O-N 3.25Å; I387-C389 PolarHBondContact O-N 3.35Å
388I43.2Very low39.7Very low144 Ų144136.6 Ų136.674%0.73877%0.774SS**  trans-73.5111170.4-63.4171.3000106.3G386 T390G386-I388 PolarHBondContact O-N 2.88Å; G386-I388 VanDerWaalsContact O-N 3.1Å; I388-T390 HydrophobicContact CG2-CG2 4.15Å; I388-T390 PolarHBondContact O-N 3.44Å
389C36Very low40Very low110 Ų110136.5 Ų136.574%0.74377%0.77SS**  trans-74.8101.9163.6-65.10000108.3I387 V391I387-C389 PolarHBondContact O-N 3.35Å; C389-V391 PolarHBondContact O-N 2.94Å
390T38.9Very low40.5Very low126 Ų126136.6 Ų136.677%0.77377%0.766SS**  trans-78102.4162.442.30000108.5I388 N392I388-T390 HydrophobicContact CG2-CG2 4.15Å; I388-T390 PolarHBondContact O-N 3.44Å; T390-N392 PolarHBondContact O-N 3.31Å
391V49.8Very low41.1Very low129 Ų129138.1 Ų138.178%0.78277%0.77SS**  trans-70.2121.6163.1-170.10000106.5C389 P393C389-V391 PolarHBondContact O-N 2.94Å; V391-P393 VanDerWaalsContact O-CD 3.3Å; V391-P393 WeakPolarHBondContact O-CD 3.23Å
392N38.8Very low41.8Very low85 Ų85141 Ų14146%0.45577%0.768SS.*  trans-65.6120.4174.4-167.5-12.9000108.4T390 Y394 F395T390-N392 PolarHBondContact O-N 3.31Å; N392-Y394 PolarHBondContact O-N 3.15Å; N392-Y394 VanDerWaalsContact O-N 3.1Å; N392-Y394 PolarHBondContact OD1-N 3.33Å; N392-F395 WeakPolarHBondContact ND2-CD2 3.25Å
393P54.8Low42.1Very low114 Ų114137.1 Ų137.174%0.7476%0.763SS**THydrogen-bonded Turntrans-73.27.1176.429.2-32.7000113.5V391V391-P393 VanDerWaalsContact O-CD 3.3Å; V391-P393 WeakPolarHBondContact O-CD 3.23Å
394Y47Very low42.7Very low200 Ų200135.8 Ų135.878%0.78476%0.76SS**THydrogen-bonded Turntrans-117.419.2-176.8-69.6-76.3000115.4N392N392-Y394 PolarHBondContact O-N 3.15Å; N392-Y394 VanDerWaalsContact O-N 3.1Å; N392-Y394 PolarHBondContact OD1-N 3.33Å
395F41.2Very low42.8Very low245 Ų245137.3 Ų137.3100%1.07576%0.758SS**  trans-135.60168.6-76.3-78.6000113N392N392-F395 WeakPolarHBondContact ND2-CD2 3.25Å

Retrieved 395 of 395 residues in 145.3 ms (Link to these results)