A0A077ZAS2_TRITR Loading...

Peptidase M13 N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAS2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 276 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
1M85.4Confident91.3Very high147 Ų14775.3 Ų75.372%0.72440%0.396SS*.  0-48.40-71.8-165.2-6300111E3 R251 C255M1-E3 PolarHBondContact O-N 2.64Å; M1-R251 WeakPolarHBondContact O-CG 3.47Å; M1-C255 HydrophobicContact CG-CB 3.89Å; M1-C255 PolarHBondContact N-SG 2.71Å
2D91Very high91.3Very high91 Ų9176.2 Ų76.249%0.48739%0.394SS..  trans-49.4108.6170.1-176.6-4.9000111.7E4 S5 I6D2-E4 PolarHBondContact OD1-N 3.13Å; D2-E4 VanDerWaalsContact OD1-N 3.1Å; D2-S5 PolarHBondContact OD1-N 3.24Å; D2-S5 WeakPolarHBondContact OD2-CB 3.46Å; D2-S5 PolarHBondContact OD2-OG 3.03Å; D2-I6 WeakPolarHBondContact O-CD1 3.41Å; D2-I6 WeakPolarHBondContact O-CG1 3.35Å
3E89.8Confident91.4Very high59 Ų5974.6 Ų74.628%0.27639%0.392SS..SBendtrans-89.7-29174.5-59.5-158.115000111.6M1 S5 I6 E7 R229 R251M1-E3 PolarHBondContact O-N 2.64Å; E3-S5 PolarHBondContact O-N 3.03Å; E3-I6 WeakPolarHBondContact O-CA 3.49Å; E3-I6 WeakPolarHBondContact O-CB 3.43Å; E3-I6 PolarHBondContact O-N 3.38Å; E3-E7 PolarHBondContact O-N 2.95Å; E3-R229 IonicContact OE1-NH2 3.15Å; E3-R229 PolarHBondContact OE1-NH2 3.4Å; E3-R229 IonicContact OE2-CZ 3.76Å; E3-R229 IonicContact OE2-NE 2.69Å; E3-R229 IonicContact OE2-NH2 3.45Å; E3-R229 PolarHBondContact OE2-NH2 2.88Å; E3-R251 HydrophobicContact CG-CG 3.81Å; E3-R251 WeakPolarHBondContact OE1-CD 3.5Å; E3-R251 VanDerWaalsContact OE1-CG 3.28Å; E3-R251 WeakPolarHBondContact OE1-CG 3.39Å; E3-R251 IonicContact OE1-CZ 3.03Å; E3-R251 IonicContact OE1-NE 3.73Å; E3-R251 PolarHBondContact OE1-NE 3.24Å
4E92.7Very high91.5Very high144 Ų14469.4 Ų69.467%0.67337%0.365SS*.Hα-helixtrans-63.3-43.6-178.3-171.3-178.5166.300110.7D2 I6 E7 N8D2-E4 PolarHBondContact OD1-N 3.13Å; D2-E4 VanDerWaalsContact OD1-N 3.1Å; E4-I6 PolarHBondContact O-N 3Å; E4-E7 PolarHBondContact O-N 3.2Å; E4-N8 VanDerWaalsContact O-CB 3.27Å; E4-N8 WeakPolarHBondContact O-CB 3.46Å; E4-N8 PolarHBondContact O-N 2.85Å; E4-N8 PolarHBondContact O-ND2 2.77Å; E4-N8 VanDerWaalsContact O-ND2 3.16Å
5S94Very high91.4Very high62 Ų6266.2 Ų66.243%0.43435%0.346SS..Hα-helixtrans-62.4-29.4172.2-69.80000113.4D2 E3 V9D2-S5 PolarHBondContact OD1-N 3.24Å; D2-S5 WeakPolarHBondContact OD2-CB 3.46Å; D2-S5 PolarHBondContact OD2-OG 3.03Å; E3-S5 PolarHBondContact O-N 3.03Å; S5-V9 WeakPolarHBondContact O-CG2 3.46Å; S5-V9 PolarHBondContact O-N 3.09Å
6I90.9Very high91.3Very high43 Ų4366.6 Ų66.622%0.22135%0.349CS..Hα-helixtrans-74.1-45.3178.4-64.4173.3000110.4D2 E3 E4 N8 V9 S10 R251D2-I6 WeakPolarHBondContact O-CD1 3.41Å; D2-I6 WeakPolarHBondContact O-CG1 3.35Å; E3-I6 WeakPolarHBondContact O-CA 3.49Å; E3-I6 WeakPolarHBondContact O-CB 3.43Å; E3-I6 PolarHBondContact O-N 3.38Å; E4-I6 PolarHBondContact O-N 3Å; I6-N8 VanDerWaalsContact C-N 3.33Å; I6-V9 VanDerWaalsContact O-CG2 3.31Å; I6-V9 WeakPolarHBondContact O-CG2 3.49Å; I6-S10 PolarHBondContact O-N 3.25Å; I6-R251 VanDerWaalsContact CD1-NH2 3.28Å
7E92.7Very high91.4Very high70 Ų7063.8 Ų63.833%0.32733%0.334SS..Hα-helixtrans-64.8-38.2174.3-58-58.4121.700111.2E3 E4 V9 S10 E228 R229E3-E7 PolarHBondContact O-N 2.95Å; E4-E7 PolarHBondContact O-N 3.2Å; E7-V9 PolarHBondContact O-N 3.35Å; E7-S10 WeakPolarHBondContact O-CA 3.3Å; E7-S10 PolarHBondContact O-N 3.13Å; E7-E228 WeakPolarHBondContact OE1-CA 3.41Å; E7-R229 WeakPolarHBondContact OE1-CG 3.08Å; E7-R229 PolarHBondContact OE1-N 2.78Å; E7-R229 PolarHBondContact OE2-N 3.13Å
8N93.6Very high91.3Very high120 Ų12060.5 Ų60.564%0.64232%0.317SS*.Hα-helixtrans-66-36.5-179.2-78.9-29.3000114.1E4 I6 S10E4-N8 VanDerWaalsContact O-CB 3.27Å; E4-N8 WeakPolarHBondContact O-CB 3.46Å; E4-N8 PolarHBondContact O-N 2.85Å; E4-N8 PolarHBondContact O-ND2 2.77Å; E4-N8 VanDerWaalsContact O-ND2 3.16Å; I6-N8 VanDerWaalsContact C-N 3.33Å; N8-S10 VanDerWaalsContact C-N 3.26Å
9V92.7Very high91.2Very high74 Ų7461.7 Ų61.745%0.44832%0.321SS..Hα-helixtrans-76.6-18.1171.8-61.20000112.5S5 I6 E7 K12 P13S5-V9 WeakPolarHBondContact O-CG2 3.46Å; S5-V9 PolarHBondContact O-N 3.09Å; I6-V9 VanDerWaalsContact O-CG2 3.31Å; I6-V9 WeakPolarHBondContact O-CG2 3.49Å; E7-V9 PolarHBondContact O-N 3.35Å; V9-K12 VanDerWaalsContact O-CB 3.3Å; V9-K12 WeakPolarHBondContact O-CB 3.33Å; V9-K12 PolarHBondContact O-N 2.96Å; V9-P13 HydrophobicContact CB-CG 4.11Å; V9-P13 HydrophobicContact CG2-CG 3.62Å
10S91.3Very high91.1Very high18 Ų1866.1 Ų66.113%0.12633%0.333CS..THydrogen-bonded Turntrans53.7-142177.5-171.10000112I6 E7 N8 K12 P13 E228I6-S10 PolarHBondContact O-N 3.25Å; E7-S10 WeakPolarHBondContact O-CA 3.3Å; E7-S10 PolarHBondContact O-N 3.13Å; N8-S10 VanDerWaalsContact C-N 3.26Å; S10-K12 VanDerWaalsContact C-N 3.27Å; S10-K12 PolarHBondContact O-N 3.24Å; S10-P13 WeakPolarHBondContact O-CD 3.47Å; S10-E228 WeakPolarHBondContact CA-OE2 3.36Å; S10-E228 WeakPolarHBondContact CB-OE2 3.44Å; S10-E228 VanDerWaalsContact OG-CD 3.23Å; S10-E228 PolarHBondContact OG-OE1 2.74Å; S10-E228 PolarHBondContact OG-OE2 2.68Å
11S90.3Very high91.1Very high0 Ų062.9 Ų62.90%032%0.317CS..THydrogen-bonded Turntrans-72.6-917957.70000114.9P13 L14 F15 D116 F118S11-P13 VanDerWaalsContact C-CD 3.4Å; S11-L14 VanDerWaalsContact O-CB 3.32Å; S11-L14 WeakPolarHBondContact O-CB 3.28Å; S11-L14 PolarHBondContact O-N 2.92Å; S11-F15 VanDerWaalsContact O-CD2 3.32Å; S11-F15 WeakPolarHBondContact O-CD2 3.4Å; S11-F15 PolarHBondContact O-N 3.41Å; S11-D116 VanDerWaalsContact CB-OD2 3.27Å; S11-D116 WeakPolarHBondContact CB-OD2 3.27Å; S11-D116 PolarHBondContact OG-OD1 3.3Å; S11-D116 PolarHBondContact OG-OD2 3.03Å; S11-F118 WeakPolarHBondContact OG-CD2 3.42Å
12K91.8Very high91.3Very high86 Ų8656.3 Ų56.337%0.37428%0.284SS..Hα-helixtrans-51-44.5-176.4-163.2-163.6-178.5-58.10113.8V9 S10 L14 F15 D16 F118V9-K12 VanDerWaalsContact O-CB 3.3Å; V9-K12 WeakPolarHBondContact O-CB 3.33Å; V9-K12 PolarHBondContact O-N 2.96Å; S10-K12 VanDerWaalsContact C-N 3.27Å; S10-K12 PolarHBondContact O-N 3.24Å; K12-L14 PolarHBondContact O-N 3.35Å; K12-F15 PolarHBondContact O-N 3.29Å; K12-F15 VanDerWaalsContact O-N 3.17Å; K12-D16 IonicContact NZ-OD1 3.87Å; K12-D16 PolarHBondContact NZ-OD1 3.23Å; K12-D16 IonicContact NZ-OD2 3.87Å; K12-D16 PolarHBondContact NZ-OD2 2.69Å; K12-D16 PolarHBondContact O-N 3.26Å; K12-F118 HydrophobicContact CB-CD2 4.25Å; K12-F118 HydrophobicContact CB-CE1 4.16Å; K12-F118 HydrophobicContact CB-CE2 3.63Å; K12-F118 HydrophobicContact CB-CZ 3.57Å; K12-F118 HydrophobicContact CD-CE1 4.43Å; K12-F118 HydrophobicContact CD-CZ 4.42Å; K12-F118 HydrophobicContact CG-CD1 4.34Å; K12-F118 HydrophobicContact CG-CE1 3.88Å; K12-F118 HydrophobicContact CG-CE2 4.24Å; K12-F118 HydrophobicContact CG-CZ 3.81Å
13P92.7Very high90.8Very high56 Ų5654.7 Ų54.736%0.36428%0.279SS..Hα-helixtrans-63.6-26-179.1-21.634.9000113.5V9 S10 S11 L17V9-P13 HydrophobicContact CB-CG 4.11Å; V9-P13 HydrophobicContact CG2-CG 3.62Å; S10-P13 WeakPolarHBondContact O-CD 3.47Å; S11-P13 VanDerWaalsContact C-CD 3.4Å; P13-L17 WeakPolarHBondContact O-CB 3.42Å; P13-L17 PolarHBondContact O-N 2.95Å; P13-L17 VanDerWaalsContact O-N 3.15Å
14L91.8Very high89.7Confident2 Ų254.1 Ų54.11%0.0129%0.288CS..Hα-helixtrans-66.8-53.1172.7178.961.3000109.7S11 K12 D16 L17 L18 M113 I220 R223 L227 Y231S11-L14 VanDerWaalsContact O-CB 3.32Å; S11-L14 WeakPolarHBondContact O-CB 3.28Å; S11-L14 PolarHBondContact O-N 2.92Å; K12-L14 PolarHBondContact O-N 3.35Å; L14-D16 PolarHBondContact O-N 2.73Å; L14-L17 CarbonylContact O-C 3.51Å; L14-L17 WeakPolarHBondContact O-CA 3.31Å; L14-L17 WeakPolarHBondContact O-CB 3.43Å; L14-L17 PolarHBondContact O-N 2.97Å; L14-L18 HydrophobicContact CD1-CD1 3.92Å; L14-L18 HydrophobicContact CD1-CD2 4.46Å; L14-L18 HydrophobicContact CD1-CG 4.09Å; L14-L18 HydrophobicContact CD2-CD1 4.43Å; L14-L18 HydrophobicContact CG-CD1 3.76Å; L14-L18 HydrophobicContact CG-CG 4.32Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 2.91Å; L14-M113 HydrophobicContact CD2-CE 4.13Å; L14-M113 HydrophobicContact CD2-CG 4.44Å; L14-M113 HydrophobicContact CD2-SD 3.98Å; L14-I220 HydrophobicContact CD1-CG1 4.4Å; L14-R223 HydrophobicContact CD1-CB 4.32Å; L14-L227 HydrophobicContact CB-CD1 4.05Å; L14-L227 HydrophobicContact CB-CD2 4.05Å; L14-L227 HydrophobicContact CD1-CD1 4.32Å; L14-L227 HydrophobicContact CD2-CD1 3.88Å; L14-L227 HydrophobicContact CG-CD1 4.29Å; L14-Y231 HydrophobicContact CD2-CD1 4.21Å; L14-Y231 HydrophobicContact CD2-CE1 3.79Å
15F90.1Very high88.4Confident21 Ų2153.8 Ų53.89%0.09229%0.285CS..Hα-helixtrans-64.4-39.8-178.9-61.9-70.9000112.9S11 K12 L17 L18 E19 M113 D116 F118 L119S11-F15 VanDerWaalsContact O-CD2 3.32Å; S11-F15 WeakPolarHBondContact O-CD2 3.4Å; S11-F15 PolarHBondContact O-N 3.41Å; K12-F15 PolarHBondContact O-N 3.29Å; K12-F15 VanDerWaalsContact O-N 3.17Å; F15-L17 PolarHBondContact O-N 3.08Å; F15-L18 HydrophobicContact CD1-CD1 4.48Å; F15-L18 PolarHBondContact O-N 3.08Å; F15-E19 PolarHBondContact O-N 3.36Å; F15-M113 HydrophobicContact CD1-CE 4.44Å; F15-M113 HydrophobicContact CE1-CB 4.45Å; F15-M113 HydrophobicContact CE1-CE 3.7Å; F15-M113 HydrophobicContact CE1-CG 4.45Å; F15-M113 HydrophobicContact CZ-CB 4.24Å; F15-M113 HydrophobicContact CZ-CE 4.3Å; F15-M113 HydrophobicContact CZ-CG 4.16Å; F15-D116 HydrophobicContact CE2-CB 4Å; F15-D116 HydrophobicContact CZ-CB 3.92Å; F15-F118 HydrophobicContact CB-CB 4.26Å; F15-F118 HydrophobicContact CD2-CB 3.44Å; F15-F118 VanDerWaalsContact CD2-CB 3.44Å; F15-F118 AromaticContact CD2-CD2 3.83Å; F15-F118 HydrophobicContact CD2-CD2 3.83Å; F15-F118 HydrophobicContact CD2-CG 4.02Å; F15-F118 HydrophobicContact CE2-CB 3.85Å; F15-F118 HydrophobicContact CE2-CD2 4.09Å; F15-F118 HydrophobicContact CE2-CG 4.48Å; F15-F118 HydrophobicContact CG-CB 3.86Å; F15-L119 HydrophobicContact CD1-CB 4.38Å; F15-L119 HydrophobicContact CD1-CD1 4.05Å; F15-L119 HydrophobicContact CE1-CB 3.71Å; F15-L119 HydrophobicContact CE1-CD1 3.82Å; F15-L119 HydrophobicContact CE1-CG 4.21Å; F15-L119 HydrophobicContact CZ-CB 4.08Å
16D91Very high87.3Confident73 Ų7351.1 Ų51.139%0.3927%0.266SS..Hα-helixtrans-61.1-29.7172.1-69.2-13000112.7K12 L14 R20K12-D16 IonicContact NZ-OD1 3.87Å; K12-D16 PolarHBondContact NZ-OD1 3.23Å; K12-D16 IonicContact NZ-OD2 3.87Å; K12-D16 PolarHBondContact NZ-OD2 2.69Å; K12-D16 PolarHBondContact O-N 3.26Å; L14-D16 PolarHBondContact O-N 2.73Å; D16-R20 WeakPolarHBondContact O-CG 3.28Å; D16-R20 PolarHBondContact O-NE 3.47Å; D16-R20 VanDerWaalsContact O-NE 3.13Å
17L91.6Very high86.6Confident18 Ų1851.7 Ų51.79%0.09427%0.267CS..Hα-helixtrans-80-40.1176.8-178.1148.1000111.4P13 L14 F15 R20 A21 F49 L219 R223P13-L17 WeakPolarHBondContact O-CB 3.42Å; P13-L17 PolarHBondContact O-N 2.95Å; P13-L17 VanDerWaalsContact O-N 3.15Å; L14-L17 CarbonylContact O-C 3.51Å; L14-L17 WeakPolarHBondContact O-CA 3.31Å; L14-L17 WeakPolarHBondContact O-CB 3.43Å; L14-L17 PolarHBondContact O-N 2.97Å; F15-L17 PolarHBondContact O-N 3.08Å; L17-R20 PolarHBondContact O-N 3.46Å; L17-A21 PolarHBondContact O-N 3.33Å; L17-F49 HydrophobicContact CD1-CD1 4.17Å; L17-F49 HydrophobicContact CD1-CE1 4.35Å; L17-F49 HydrophobicContact CD2-CD1 4.17Å; L17-F49 HydrophobicContact CD2-CE1 4.23Å; L17-F49 HydrophobicContact CG-CD1 4.02Å; L17-F49 HydrophobicContact CG-CE1 3.83Å; L17-L219 HydrophobicContact CD2-CD1 3.85Å; L17-L219 HydrophobicContact CD2-CD2 3.65Å; L17-L219 HydrophobicContact CD2-CG 3.7Å; L17-R223 HydrophobicContact CD1-CG 4.2Å; L17-R223 HydrophobicContact CD2-CG 4.29Å
18L90.7Very high86.2Confident5 Ų549.1 Ų49.13%0.02626%0.255CS..Hα-helixtrans-66.6-42.2178.8-66.3171.3000111.8L14 F15 R20 A21 F22 M113 Y216 L219 I220L14-L18 HydrophobicContact CD1-CD1 3.92Å; L14-L18 HydrophobicContact CD1-CD2 4.46Å; L14-L18 HydrophobicContact CD1-CG 4.09Å; L14-L18 HydrophobicContact CD2-CD1 4.43Å; L14-L18 HydrophobicContact CG-CD1 3.76Å; L14-L18 HydrophobicContact CG-CG 4.32Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.34Å; L14-L18 PolarHBondContact O-N 2.91Å; F15-L18 HydrophobicContact CD1-CD1 4.48Å; F15-L18 PolarHBondContact O-N 3.08Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 3.49Å; L18-A21 PolarHBondContact O-N 2.91Å; L18-F22 PolarHBondContact O-N 2.85Å; L18-M113 HydrophobicContact CD1-CE 3.58Å; L18-Y216 HydrophobicContact CB-CE2 3.97Å; L18-Y216 HydrophobicContact CD1-CE2 4.14Å; L18-Y216 HydrophobicContact CD2-CD2 4Å; L18-Y216 HydrophobicContact CD2-CE2 3.74Å; L18-Y216 HydrophobicContact CG-CE2 4.14Å; L18-L219 HydrophobicContact CD2-CD2 3.95Å; L18-L219 HydrophobicContact CD2-CG 4.26Å; L18-I220 HydrophobicContact CD1-CD1 4.39Å; L18-I220 HydrophobicContact CD1-CG1 4.07Å; L18-I220 HydrophobicContact CD2-CG1 3.85Å
19E88.1Confident85.7Confident83 Ų8344.9 Ų44.939%0.38824%0.239SC..Hα-helixtrans-64.4-35.5173.8-174.966.2-138.800111.9F15 F22 P23 G24 K25F15-E19 PolarHBondContact O-N 3.36Å; E19-F22 CarbonylContact O-C 3.58Å; E19-P23 WeakPolarHBondContact O-CA 3.3Å; E19-P23 VanDerWaalsContact O-N 3.14Å; E19-G24 PolarHBondContact OE1-N 2.89Å; E19-K25 WeakPolarHBondContact OE2-CG 3.48Å
20R90.8Very high85.1Confident149 Ų14945.2 Ų45.256%0.56224%0.239SC*.Hα-helixtrans-67.6-35.5174-76.2-176.6-60.1127.3-3.4112.8D16 L17 L18 K44 F49D16-R20 WeakPolarHBondContact O-CG 3.28Å; D16-R20 PolarHBondContact O-NE 3.47Å; D16-R20 VanDerWaalsContact O-NE 3.13Å; L17-R20 PolarHBondContact O-N 3.46Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 3.49Å; R20-K44 WeakPolarHBondContact O-CE 3.45Å; R20-K44 PolarHBondContact O-NZ 3.42Å; R20-F49 HydrophobicContact CB-CZ 4.27Å
21A90.1Very high84.4Confident0 Ų046.5 Ų46.50%024%0.241CC..Hα-helixtrans-75.9-49.517800000111.5L17 L18 P23 K44 L45 F49 L219L17-A21 PolarHBondContact O-N 3.33Å; L18-A21 PolarHBondContact O-N 2.91Å; A21-P23 VanDerWaalsContact C-CD 3.44Å; A21-P23 WeakPolarHBondContact O-CD 3.49Å; A21-K44 PolarHBondContact O-NZ 3.26Å; A21-L45 HydrophobicContact CB-CD2 4.35Å; A21-F49 HydrophobicContact CB-CD2 4.36Å; A21-F49 HydrophobicContact CB-CE1 4.39Å; A21-F49 HydrophobicContact CB-CE2 3.69Å; A21-F49 HydrophobicContact CB-CZ 3.71Å; A21-L219 HydrophobicContact CB-CD2 3.37Å
22F88.9Confident83.4Confident8 Ų850.6 Ų50.64%0.03526%0.261CS..SBendtrans-116.269.6-176-60.3-104.5000110.4L18 E19 H26 L41 L45 Y212 L215 Y216 L219L18-F22 PolarHBondContact O-N 2.85Å; E19-F22 CarbonylContact O-C 3.58Å; F22-H26 HydrophobicContact CB-CB 4Å; F22-H26 HydrophobicContact CD1-CB 4.06Å; F22-H26 AromaticContact CD1-CD2 3.7Å; F22-H26 AromaticContact CE1-CD2 3.98Å; F22-H26 HydrophobicContact CG-CB 4.39Å; F22-L41 HydrophobicContact CD1-CD1 4.41Å; F22-L41 HydrophobicContact CD1-CD2 4.03Å; F22-L41 HydrophobicContact CE1-CD1 4.17Å; F22-L41 HydrophobicContact CE1-CD2 3.46Å; F22-L41 VanDerWaalsContact CE1-CD2 3.46Å; F22-L41 HydrophobicContact CE1-CG 4.39Å; F22-L41 HydrophobicContact CE2-CD1 4.49Å; F22-L41 HydrophobicContact CZ-CD1 4.18Å; F22-L41 HydrophobicContact CZ-CD2 4.01Å; F22-L45 HydrophobicContact CE2-CD2 4.26Å; F22-L45 HydrophobicContact CZ-CD1 4.44Å; F22-Y212 HydrophobicContact CD1-CD1 4.37Å; F22-Y212 HydrophobicContact CE1-CD1 4.2Å; F22-L215 HydrophobicContact CE1-CB 4.4Å; F22-L215 HydrophobicContact CZ-CB 4.07Å; F22-Y216 HydrophobicContact CD1-CD2 4.23Å; F22-Y216 AromaticContact CD2-CD2 3.67Å; F22-Y216 HydrophobicContact CD2-CD2 3.67Å; F22-Y216 HydrophobicContact CD2-CE2 4.21Å; F22-Y216 HydrophobicContact CE1-CD2 4.25Å; F22-Y216 AromaticContact CE2-CD2 3.75Å; F22-Y216 HydrophobicContact CE2-CD2 3.75Å; F22-Y216 AromaticContact CG-CD2 3.97Å; F22-Y216 HydrophobicContact CG-CD2 3.97Å; F22-Y216 HydrophobicContact CG-CE2 4.43Å; F22-Y216 HydrophobicContact CZ-CD2 4.05Å; F22-L219 HydrophobicContact CD2-CD2 4.44Å; F22-L219 HydrophobicContact CE2-CD2 3.91Å
23P80.6Confident82Confident58 Ų5854.9 Ų54.938%0.37728%0.283SS..THydrogen-bonded Turntrans-62.5140.9-177.427.9-35.9000110.7E19 A21 I36E19-P23 WeakPolarHBondContact O-CA 3.3Å; E19-P23 VanDerWaalsContact O-N 3.14Å; A21-P23 VanDerWaalsContact C-CD 3.44Å; A21-P23 WeakPolarHBondContact O-CD 3.49Å; P23-I36 HydrophobicContact CG-CD1 3.84Å; P23-I36 HydrophobicContact CG-CG1 4.2Å
24G67.5Low80.4Confident46 Ų4660.4 Ų60.447%0.47431%0.309SS..THydrogen-bonded Turntrans87.522.6-177.700000114.1E19 M32E19-G24 PolarHBondContact OE1-N 2.89Å; G24-M32 WeakPolarHBondContact O-CE 3.18Å
25K64.7Low79.4Confident138 Ų13861.5 Ų61.560%0.632%0.316SS*.THydrogen-bonded Turntrans59.861.7167.8-53.9179.9-177.7-178.30115.4E19 K27 M32E19-K25 WeakPolarHBondContact OE2-CG 3.48Å; K25-K27 PolarHBondContact O-N 3.4Å; K25-M32 WeakPolarHBondContact O-CE 3.46Å
26H70.7Confident79.1Confident6 Ų662.5 Ų62.53%0.02832%0.322CS..  trans-55.5138.1155.1171.852000109.7F22 N30 D213 Y216F22-H26 HydrophobicContact CB-CB 4Å; F22-H26 HydrophobicContact CD1-CB 4.06Å; F22-H26 AromaticContact CD1-CD2 3.7Å; F22-H26 AromaticContact CE1-CD2 3.98Å; F22-H26 HydrophobicContact CG-CB 4.39Å; H26-N30 PolarHBondContact ND1-O 3.48Å; H26-N30 VanDerWaalsContact ND1-O 3.13Å; H26-D213 IonicContact CE1-OD1 2.81Å; H26-D213 PolarHBondContact CE1-OD1 3.19Å; H26-D213 IonicContact NE2-OD1 3.65Å; H26-D213 PolarHBondContact NE2-OD1 3.43Å; H26-Y216 AromaticContact CD2-CD2 3.61Å; H26-Y216 AromaticContact CD2-CG 3.74Å; H26-Y216 AromaticContact NE2-CG 3.97Å
27K77Confident79.1Confident55 Ų5562 Ų6224%0.23932%0.323CS..BIsolated β-bridgetrans-127.7152.2176.4-68.1169.6176.7173.10108.4K25 G29 N30 N120 I121K25-K27 PolarHBondContact O-N 3.4Å; K27-G29 PolarHBondContact O-N 2.87Å; K27-G29 VanDerWaalsContact O-N 3.15Å; K27-N30 HydrophobicContact CB-CB 4.34Å; K27-N30 PolarHBondContact N-O 2.87Å; K27-N30 CarbonylContact O-C 3.53Å; K27-N30 PolarHBondContact O-N 2.94Å; K27-N30 VanDerWaalsContact O-O 3.1Å; K27-N120 WeakPolarHBondContact CE-O 3.41Å; K27-I121 WeakPolarHBondContact CD-O 3.47Å
28L84.6Confident79.1Confident15 Ų1561.6 Ų61.68%0.07932%0.32CS..THydrogen-bonded Turntrans-53.9118.8176.8-174.573.1000110.7F110 I127 N130 I134 D213L28-F110 HydrophobicContact CD1-CD1 4.32Å; L28-F110 HydrophobicContact CD1-CD2 4.44Å; L28-F110 HydrophobicContact CD1-CE1 3.94Å; L28-F110 HydrophobicContact CD1-CE2 4.07Å; L28-F110 HydrophobicContact CD1-CZ 3.8Å; L28-F110 HydrophobicContact CD2-CB 4.15Å; L28-F110 HydrophobicContact CD2-CD1 3.95Å; L28-F110 HydrophobicContact CD2-CD2 4.21Å; L28-F110 HydrophobicContact CD2-CE1 4.4Å; L28-F110 HydrophobicContact CD2-CG 3.85Å; L28-I127 HydrophobicContact CD2-CB 4.45Å; L28-I127 HydrophobicContact CD2-CG1 4.14Å; L28-I127 HydrophobicContact CD2-CG2 4.49Å; L28-N130 HydrophobicContact CD1-CB 3.86Å; L28-N130 HydrophobicContact CD2-CB 3.92Å; L28-N130 HydrophobicContact CG-CB 3.61Å; L28-N130 PolarHBondContact O-ND2 3.26Å; L28-I134 HydrophobicContact CD1-CD1 3.69Å; L28-D213 WeakPolarHBondContact CA-OD1 3.38Å; L28-D213 HydrophobicContact CD1-CB 4.19Å
29G82.5Confident79.3Confident31 Ų3162.2 Ų62.232%0.3232%0.323SS..THydrogen-bonded Turntrans74.417.3-176.300000115.4K27 N130 D213K27-G29 PolarHBondContact O-N 2.87Å; K27-G29 VanDerWaalsContact O-N 3.15Å; G29-N130 WeakPolarHBondContact CA-ND2 3.39Å; G29-D213 WeakPolarHBondContact CA-OD2 3.25Å; G29-D213 VanDerWaalsContact N-CG 3.27Å; G29-D213 PolarHBondContact N-OD1 3.15Å; G29-D213 PolarHBondContact N-OD2 3.32Å
30N81.4Confident79.6Confident81 Ų8159.7 Ų59.743%0.43332%0.315SS..BIsolated β-bridgetrans-145.593.7174.5-171.9-20.3000110.9H26 K27 D209H26-N30 PolarHBondContact ND1-O 3.48Å; H26-N30 VanDerWaalsContact ND1-O 3.13Å; K27-N30 HydrophobicContact CB-CB 4.34Å; K27-N30 PolarHBondContact N-O 2.87Å; K27-N30 CarbonylContact O-C 3.53Å; K27-N30 PolarHBondContact O-N 2.94Å; K27-N30 VanDerWaalsContact O-O 3.1Å; N30-D209 WeakPolarHBondContact CA-OD1 3.41Å
31Y75.5Confident79.7Confident45 Ų4552.7 Ų52.718%0.17629%0.289CS..  trans-81.3126.2164.4173.1-99.5000110E33 T35 M208 D209 Y212Y31-E33 HydrophobicContact CE1-CG 4.44Å; Y31-T35 WeakPolarHBondContact CE2-OG1 3.27Å; Y31-T35 VanDerWaalsContact CZ-OG1 3.23Å; Y31-T35 PolarHBondContact OH-OG1 3.23Å; Y31-M208 HydrophobicContact CD1-CB 4.02Å; Y31-M208 HydrophobicContact CE1-CB 4.26Å; Y31-M208 HydrophobicContact CE1-CE 4.33Å; Y31-M208 HydrophobicContact CE2-CE 4.43Å; Y31-M208 HydrophobicContact CG-CB 4.35Å; Y31-D209 VanDerWaalsContact CB-OD1 3.3Å; Y31-D209 WeakPolarHBondContact CB-OD1 3.37Å; Y31-D209 PolarHBondContact N-OD1 2.94Å; Y31-Y212 AromaticContact CD2-CD1 3.64Å; Y31-Y212 HydrophobicContact CD2-CD1 3.64Å; Y31-Y212 AromaticContact CD2-CD2 3.63Å; Y31-Y212 HydrophobicContact CD2-CD2 3.63Å; Y31-Y212 AromaticContact CD2-CE1 3.94Å; Y31-Y212 HydrophobicContact CD2-CE1 3.94Å; Y31-Y212 AromaticContact CD2-CE2 3.94Å; Y31-Y212 HydrophobicContact CD2-CE2 3.94Å; Y31-Y212 AromaticContact CD2-CG 3.46Å; Y31-Y212 HydrophobicContact CD2-CG 3.46Å; Y31-Y212 VanDerWaalsContact CD2-CG 3.46Å; Y31-Y212 AromaticContact CE2-CD1 3.69Å; Y31-Y212 HydrophobicContact CE2-CD1 3.69Å; Y31-Y212 AromaticContact CE2-CD2 3.66Å; Y31-Y212 HydrophobicContact CE2-CD2 3.66Å; Y31-Y212 AromaticContact CE2-CE1 3.46Å; Y31-Y212 HydrophobicContact CE2-CE1 3.46Å; Y31-Y212 VanDerWaalsContact CE2-CE1 3.46Å; Y31-Y212 AromaticContact CE2-CE2 3.45Å; Y31-Y212 HydrophobicContact CE2-CE2 3.45Å; Y31-Y212 VanDerWaalsContact CE2-CE2 3.45Å; Y31-Y212 AromaticContact CE2-CG 3.77Å; Y31-Y212 HydrophobicContact CE2-CG 3.77Å; Y31-Y212 AromaticContact CE2-CZ 3.31Å
32M70.1Confident79.9Confident86 Ų8652.8 Ų52.842%0.42429%0.289SS..  trans-101.9130.2173.1-70.5-168.8-70.100110.1G24 K25 N34 T35G24-M32 WeakPolarHBondContact O-CE 3.18Å; K25-M32 WeakPolarHBondContact O-CE 3.46Å; M32-N34 PolarHBondContact O-N 3.45Å; M32-T35 VanDerWaalsContact O-CG2 3.23Å; M32-T35 WeakPolarHBondContact O-CG2 2.92Å; M32-T35 PolarHBondContact O-N 2.74Å; M32-T35 PolarHBondContact O-OG1 3.13Å
33E61.2Low80.1Confident176 Ų17652.4 Ų52.482%0.82229%0.288SS*.THydrogen-bonded Turntrans-59.4-19.7-170.8-64-177.9139.500115.4Y31 T35Y31-E33 HydrophobicContact CE1-CG 4.44Å; E33-T35 PolarHBondContact O-N 2.77Å
34N58.6Low80.7Confident172 Ų17251.7 Ų51.792%0.9228%0.278SS*.THydrogen-bonded Turntrans-81.220.2178.1-70.1-30.3000114.2M32M32-N34 PolarHBondContact O-N 3.45Å
35T71.6Confident82Confident26 Ų2649.5 Ų49.516%0.1626%0.256CS..SBendtrans-87.6167.1178.746.80000113.4Y31 M32 E33Y31-T35 WeakPolarHBondContact CE2-OG1 3.27Å; Y31-T35 VanDerWaalsContact CZ-OG1 3.23Å; Y31-T35 PolarHBondContact OH-OG1 3.23Å; M32-T35 VanDerWaalsContact O-CG2 3.23Å; M32-T35 WeakPolarHBondContact O-CG2 2.92Å; M32-T35 PolarHBondContact O-N 2.74Å; M32-T35 PolarHBondContact O-OG1 3.13Å; E33-T35 PolarHBondContact O-N 2.77Å
36I84.3Confident83.3Confident42 Ų4244.6 Ų44.622%0.21523%0.233CC..PPolyproline II helixtrans-53132.3170.9-58.2174.5000109.4P23 L41 K44 Y212P23-I36 HydrophobicContact CG-CD1 3.84Å; P23-I36 HydrophobicContact CG-CG1 4.2Å; I36-L41 HydrophobicContact CB-CB 4.48Å; I36-L41 HydrophobicContact CG2-CB 4.11Å; I36-K44 HydrophobicContact CD1-CD 3.85Å; I36-Y212 PolarHBondContact O-OH 3.16Å
37P90.6Very high84.3Confident62 Ų6247.3 Ų47.340%0.40325%0.248SC..PPolyproline II helixtrans-52.4148175.6-27.635.1000112.9E39 S40 L41P37-E39 VanDerWaalsContact C-N 3.25Å; P37-E39 PolarHBondContact O-N 2.85Å; P37-E39 VanDerWaalsContact O-N 3.14Å; P37-S40 PolarHBondContact O-N 2.88Å; P37-S40 VanDerWaalsContact O-N 3.1Å; P37-L41 PolarHBondContact O-N 2.7Å
38L92.7Very high84.9Confident9 Ų948.4 Ų48.45%0.04726%0.262CS..Hα-helixtrans-51.6-46.7-171.7171.760.2000111.8L41 V42 L203 I211 Y212 L215L38-L41 PolarHBondContact O-N 3.32Å; L38-V42 HydrophobicContact CD1-CG2 4.11Å; L38-V42 VanDerWaalsContact O-CG2 3.29Å; L38-V42 WeakPolarHBondContact O-CG2 3.39Å; L38-V42 PolarHBondContact O-N 3.27Å; L38-L203 HydrophobicContact CD2-CD2 4.25Å; L38-I211 HydrophobicContact CD1-CG2 3.49Å; L38-I211 VanDerWaalsContact CD1-CG2 3.49Å; L38-I211 HydrophobicContact CD2-CG2 4.08Å; L38-I211 HydrophobicContact CG-CG2 4.46Å; L38-Y212 VanDerWaalsContact CA-OH 3.24Å; L38-Y212 WeakPolarHBondContact CA-OH 3.42Å; L38-Y212 HydrophobicContact CB-CE2 4.2Å; L38-Y212 HydrophobicContact CD1-CE2 3.96Å; L38-Y212 PolarHBondContact N-OH 3.41Å; L38-L215 HydrophobicContact CD1-CD1 3.63Å
39E94.2Very high85.3Confident18 Ų1848.3 Ų48.38%0.08426%0.262CS..Hα-helixtrans-71.8-39.9-174-49.488.6173.500111.6P37 L41 V42 A43 F173 N174 N177 F178P37-E39 VanDerWaalsContact C-N 3.25Å; P37-E39 PolarHBondContact O-N 2.85Å; P37-E39 VanDerWaalsContact O-N 3.14Å; E39-L41 VanDerWaalsContact C-N 3.32Å; E39-L41 PolarHBondContact O-N 3.48Å; E39-V42 PolarHBondContact O-N 3.32Å; E39-A43 VanDerWaalsContact O-CB 3.3Å; E39-A43 WeakPolarHBondContact O-CB 3.43Å; E39-A43 PolarHBondContact O-N 2.62Å; E39-F173 HydrophobicContact CB-CE1 4.27Å; E39-F173 HydrophobicContact CB-CE2 3.99Å; E39-F173 HydrophobicContact CB-CZ 3.86Å; E39-F173 HydrophobicContact CG-CD1 4.12Å; E39-F173 HydrophobicContact CG-CD2 3.62Å; E39-F173 HydrophobicContact CG-CE1 4.09Å; E39-F173 HydrophobicContact CG-CE2 3.57Å; E39-F173 HydrophobicContact CG-CG 3.91Å; E39-F173 HydrophobicContact CG-CZ 3.82Å; E39-N174 HydrophobicContact CG-CB 4.2Å; E39-N174 WeakPolarHBondContact CG-O 3.28Å; E39-N174 WeakPolarHBondContact OE1-CB 3.27Å; E39-N174 PolarHBondContact OE1-N 2.78Å; E39-N177 HydrophobicContact CB-CB 3.87Å; E39-N177 HydrophobicContact CG-CB 4.47Å; E39-N177 PolarHBondContact OE2-ND2 3.14Å; E39-F178 HydrophobicContact CB-CB 3.94Å; E39-F178 WeakPolarHBondContact O-CD2 3.48Å
40S93.3Very high85.7Confident30 Ų3047.9 Ų47.921%0.2126%0.257CS..Hα-helixtrans-67.4-32.6174.3-55.20000111.9P37 K44 N177P37-S40 PolarHBondContact O-N 2.88Å; P37-S40 VanDerWaalsContact O-N 3.1Å; S40-K44 WeakPolarHBondContact O-CB 3.41Å; S40-K44 PolarHBondContact O-N 3.03Å; S40-N177 PolarHBondContact OG-O 3.32Å
41L92.8Very high86.2Confident3 Ų344.2 Ų44.22%0.01624%0.237CC..Hα-helixtrans-67.4-47.5171.8174.363.4000111.2F22 I36 P37 L38 E39 A43 K44 L45 Y212 L215F22-L41 HydrophobicContact CD1-CD1 4.41Å; F22-L41 HydrophobicContact CD1-CD2 4.03Å; F22-L41 HydrophobicContact CE1-CD1 4.17Å; F22-L41 HydrophobicContact CE1-CD2 3.46Å; F22-L41 VanDerWaalsContact CE1-CD2 3.46Å; F22-L41 HydrophobicContact CE1-CG 4.39Å; F22-L41 HydrophobicContact CE2-CD1 4.49Å; F22-L41 HydrophobicContact CZ-CD1 4.18Å; F22-L41 HydrophobicContact CZ-CD2 4.01Å; I36-L41 HydrophobicContact CB-CB 4.48Å; I36-L41 HydrophobicContact CG2-CB 4.11Å; P37-L41 PolarHBondContact O-N 2.7Å; L38-L41 PolarHBondContact O-N 3.32Å; E39-L41 VanDerWaalsContact C-N 3.32Å; E39-L41 PolarHBondContact O-N 3.48Å; L41-A43 VanDerWaalsContact C-N 3.33Å; L41-A43 PolarHBondContact O-N 3.1Å; L41-K44 WeakPolarHBondContact O-CB 3.34Å; L41-K44 PolarHBondContact O-N 2.89Å; L41-L45 HydrophobicContact CD1-CD1 4.27Å; L41-L45 HydrophobicContact CD1-CG 4.09Å; L41-L45 HydrophobicContact CG-CD1 4.16Å; L41-L45 HydrophobicContact CG-CG 4.4Å; L41-L45 WeakPolarHBondContact O-CG 3.16Å; L41-L45 PolarHBondContact O-N 2.96Å; L41-Y212 HydrophobicContact CD2-CD1 3.55Å; L41-Y212 HydrophobicContact CD2-CE1 3.31Å; L41-Y212 HydrophobicContact CD2-CG 4.47Å; L41-L215 HydrophobicContact CD2-CB 4.46Å; L41-L215 HydrophobicContact CD2-CD1 3.68Å; L41-L215 HydrophobicContact CG-CD1 4.12Å
42V95.1Very high87Confident2 Ų242.4 Ų42.41%0.01223%0.231CC..Hα-helixtrans-61.1-43.3178.4174.40000111L38 E39 L45 W46 I54 I55 F178 L215L38-V42 HydrophobicContact CD1-CG2 4.11Å; L38-V42 VanDerWaalsContact O-CG2 3.29Å; L38-V42 WeakPolarHBondContact O-CG2 3.39Å; L38-V42 PolarHBondContact O-N 3.27Å; E39-V42 PolarHBondContact O-N 3.32Å; V42-L45 PolarHBondContact O-N 3.29Å; V42-W46 PolarHBondContact O-N 2.93Å; V42-I54 HydrophobicContact CG1-CG1 4.09Å; V42-I54 HydrophobicContact CG2-CD1 3.94Å; V42-I54 HydrophobicContact CG2-CG1 3.91Å; V42-I55 HydrophobicContact CG1-CG2 3.79Å; V42-F178 HydrophobicContact CG1-CE2 4.12Å; V42-L215 HydrophobicContact CG2-CD1 3.63Å; V42-L215 HydrophobicContact CG2-CD2 3.93Å; V42-L215 HydrophobicContact CG2-CG 4.45Å
43A94Very high88.2Confident0 Ų038.3 Ų38.30%021%0.211CC..Hα-helixtrans-62-42.8174.100000112.1E39 L41 W46 L47 F178 I181 F182E39-A43 VanDerWaalsContact O-CB 3.3Å; E39-A43 WeakPolarHBondContact O-CB 3.43Å; E39-A43 PolarHBondContact O-N 2.62Å; L41-A43 VanDerWaalsContact C-N 3.33Å; L41-A43 PolarHBondContact O-N 3.1Å; A43-W46 WeakPolarHBondContact O-CB 3.3Å; A43-W46 PolarHBondContact O-N 3.39Å; A43-L47 PolarHBondContact O-N 2.92Å; A43-F178 HydrophobicContact CB-CD2 3.72Å; A43-F178 HydrophobicContact CB-CE2 3.84Å; A43-F178 HydrophobicContact CB-CG 4.45Å; A43-F178 WeakPolarHBondContact CB-O 3.22Å; A43-I181 VanDerWaalsContact C-CD1 3.43Å; A43-I181 HydrophobicContact CB-CD1 3.35Å; A43-I181 HydrophobicContact CB-CG1 3.83Å; A43-F182 HydrophobicContact CB-CE2 3.86Å
44K92.5Very high89.9Confident43 Ų4329.9 Ų29.919%0.18717%0.172CC..Hα-helixtrans-65-39.8176.2179.3-174.8178.2-168.70112.7R20 A21 I36 S40 L41 W46 S48 F49R20-K44 WeakPolarHBondContact O-CE 3.45Å; R20-K44 PolarHBondContact O-NZ 3.42Å; A21-K44 PolarHBondContact O-NZ 3.26Å; I36-K44 HydrophobicContact CD1-CD 3.85Å; S40-K44 WeakPolarHBondContact O-CB 3.41Å; S40-K44 PolarHBondContact O-N 3.03Å; L41-K44 WeakPolarHBondContact O-CB 3.34Å; L41-K44 PolarHBondContact O-N 2.89Å; K44-W46 VanDerWaalsContact C-N 3.27Å; K44-W46 PolarHBondContact O-N 3.18Å; K44-S48 WeakPolarHBondContact O-CA 3.4Å; K44-S48 VanDerWaalsContact O-CB 3.25Å; K44-S48 WeakPolarHBondContact O-CB 3.22Å; K44-S48 PolarHBondContact O-N 3.4Å; K44-F49 HydrophobicContact CG-CE2 4.29Å
45L93.6Very high91.6Very high0 Ų021.7 Ų21.70%013%0.128CC..Hα-helixtrans-60.2-39175.1-73.8174.5000111.3A21 F22 L41 V42 F49 G50 V51 L215 L219A21-L45 HydrophobicContact CB-CD2 4.35Å; F22-L45 HydrophobicContact CE2-CD2 4.26Å; F22-L45 HydrophobicContact CZ-CD1 4.44Å; L41-L45 HydrophobicContact CD1-CD1 4.27Å; L41-L45 HydrophobicContact CD1-CG 4.09Å; L41-L45 HydrophobicContact CG-CD1 4.16Å; L41-L45 HydrophobicContact CG-CG 4.4Å; L41-L45 WeakPolarHBondContact O-CG 3.16Å; L41-L45 PolarHBondContact O-N 2.96Å; V42-L45 PolarHBondContact O-N 3.29Å; L45-F49 HydrophobicContact CD2-CD2 4.26Å; L45-F49 CarbonylContact O-C 3.59Å; L45-F49 WeakPolarHBondContact O-CA 3.46Å; L45-F49 WeakPolarHBondContact O-CB 3.31Å; L45-F49 PolarHBondContact O-N 3.24Å; L45-G50 PolarHBondContact O-N 3.45Å; L45-V51 CarbonylContact C-O 3.45Å; L45-V51 HydrophobicContact CB-CB 4.41Å; L45-V51 PolarHBondContact O-N 3.4Å; L45-L215 HydrophobicContact CD1-CB 3.83Å; L45-L215 HydrophobicContact CD1-CD1 4.39Å; L45-L215 HydrophobicContact CD1-CD2 4.11Å; L45-L215 HydrophobicContact CD1-CG 4.33Å; L45-L219 HydrophobicContact CD2-CB 4.23Å; L45-L219 HydrophobicContact CD2-CD1 4.22Å; L45-L219 HydrophobicContact CD2-CD2 3.73Å; L45-L219 HydrophobicContact CD2-CG 4.29Å
46W93.1Very high92.7Very high34 Ų3421.4 Ų21.413%0.12913%0.126CC..Hα-helixtrans-65.6-67.1169.9-179.1-107.4000112.1V42 A43 K44 S48 G50 V51 P57 F182V42-W46 PolarHBondContact O-N 2.93Å; A43-W46 WeakPolarHBondContact O-CB 3.3Å; A43-W46 PolarHBondContact O-N 3.39Å; K44-W46 VanDerWaalsContact C-N 3.27Å; K44-W46 PolarHBondContact O-N 3.18Å; W46-S48 PolarHBondContact O-N 3.29Å; W46-G50 WeakPolarHBondContact O-CA 3.35Å; W46-G50 PolarHBondContact O-N 2.97Å; W46-V51 PolarHBondContact N-O 3.02Å; W46-P57 HydrophobicContact CB-CG 3.99Å; W46-P57 VanDerWaalsContact CD1-CG 3.5Å; W46-P57 HydrophobicContact CD2-CG 3.94Å; W46-P57 HydrophobicContact CG-CG 3.52Å; W46-P57 WeakPolarHBondContact CZ2-O 3.47Å; W46-P57 PolarHBondContact NE1-O 3.3Å; W46-F182 AromaticContact CD1-CZ 3.94Å
47L90.8Very high93.1Very high63 Ų6319.4 Ų19.433%0.3312%0.116SC..Hα-helixtrans-67.1-34.8-168.9-71.3-171.4000114.7A43 I181 F182A43-L47 PolarHBondContact O-N 2.92Å; L47-I181 HydrophobicContact CB-CD1 4.39Å; L47-I181 HydrophobicContact CD1-CB 4.12Å; L47-I181 HydrophobicContact CD1-CD1 3.6Å; L47-I181 HydrophobicContact CD1-CG1 3.65Å; L47-I181 WeakPolarHBondContact CD1-O 3.22Å; L47-I181 HydrophobicContact CG-CD1 4.13Å; L47-F182 HydrophobicContact CD1-CD1 4.37Å; L47-F182 HydrophobicContact CD1-CE1 4.16Å; L47-F182 HydrophobicContact CD1-CZ 4.35Å; L47-F182 HydrophobicContact CD2-CD1 4.44Å; L47-F182 HydrophobicContact CD2-CE1 3.77Å; L47-F182 HydrophobicContact CD2-CZ 4.28Å; L47-F182 HydrophobicContact CG-CE1 4Å; L47-F182 HydrophobicContact CG-CZ 4.07Å
48S91.2Very high93.2Very high78 Ų7820.8 Ų20.855%0.54511%0.114SC..Hα-helixtrans-95.9-17.3-176.6-59.60000114K44 W46K44-S48 WeakPolarHBondContact O-CA 3.4Å; K44-S48 VanDerWaalsContact O-CB 3.25Å; K44-S48 WeakPolarHBondContact O-CB 3.22Å; K44-S48 PolarHBondContact O-N 3.4Å; W46-S48 PolarHBondContact O-N 3.29Å
49F91.7Very high93.1Very high14 Ų1424.5 Ų24.56%0.06114%0.137CC..Hα-helixtrans-134.4-6.3-171.4-56.3-82000115.4L17 R20 A21 K44 L45 V51 L219 R223L17-F49 HydrophobicContact CD1-CD1 4.17Å; L17-F49 HydrophobicContact CD1-CE1 4.35Å; L17-F49 HydrophobicContact CD2-CD1 4.17Å; L17-F49 HydrophobicContact CD2-CE1 4.23Å; L17-F49 HydrophobicContact CG-CD1 4.02Å; L17-F49 HydrophobicContact CG-CE1 3.83Å; R20-F49 HydrophobicContact CB-CZ 4.27Å; A21-F49 HydrophobicContact CB-CD2 4.36Å; A21-F49 HydrophobicContact CB-CE1 4.39Å; A21-F49 HydrophobicContact CB-CE2 3.69Å; A21-F49 HydrophobicContact CB-CZ 3.71Å; K44-F49 HydrophobicContact CG-CE2 4.29Å; L45-F49 HydrophobicContact CD2-CD2 4.26Å; L45-F49 CarbonylContact O-C 3.59Å; L45-F49 WeakPolarHBondContact O-CA 3.46Å; L45-F49 WeakPolarHBondContact O-CB 3.31Å; L45-F49 PolarHBondContact O-N 3.24Å; F49-V51 VanDerWaalsContact C-N 3.29Å; F49-V51 HydrophobicContact CB-CG2 4.32Å; F49-V51 PolarHBondContact O-N 3.26Å; F49-L219 HydrophobicContact CB-CD1 3.8Å; F49-L219 HydrophobicContact CD1-CD1 4.31Å; F49-L219 HydrophobicContact CG-CD1 4.09Å; F49-R223 PolarHBondContact O-NH1 3.3Å; F49-R223 PolarHBondContact O-NH2 2.81Å
50G91.3Very high93Very high21 Ų2126 Ų2622%0.21615%0.149CC..  trans70.621.4-179.100000114L45 W46L45-G50 PolarHBondContact O-N 3.45Å; W46-G50 WeakPolarHBondContact O-CA 3.35Å; W46-G50 PolarHBondContact O-N 2.97Å
51V92.9Very high93Very high4 Ų426.6 Ų26.62%0.02416%0.156CC..  trans-109.8100.7-174.3-179.10000110.4L45 W46 F49 R218 L219 N222L45-V51 CarbonylContact C-O 3.45Å; L45-V51 HydrophobicContact CB-CB 4.41Å; L45-V51 PolarHBondContact O-N 3.4Å; W46-V51 PolarHBondContact N-O 3.02Å; F49-V51 VanDerWaalsContact C-N 3.29Å; F49-V51 HydrophobicContact CB-CG2 4.32Å; F49-V51 PolarHBondContact O-N 3.26Å; V51-R218 HydrophobicContact CG1-CB 4.05Å; V51-L219 HydrophobicContact CB-CD1 4.5Å; V51-L219 HydrophobicContact CG2-CD1 3.71Å; V51-N222 HydrophobicContact CG2-CB 4Å
52S92.4Very high93Very high7 Ų726.6 Ų26.65%0.04916%0.156CC..  trans-71.7151.7162.1177.30000110.3I55 T56S52-I55 PolarHBondContact OG-O 3.47Å; S52-T56 WeakPolarHBondContact OG-CA 3.2Å; S52-T56 WeakPolarHBondContact OG-CB 3.37Å; S52-T56 PolarHBondContact OG-OG1 3.11Å
53S94.3Very high92.8Very high0 Ų031.8 Ų31.80%018%0.18CC..  trans-145-101.7-176560000111.7I55 A76 K77 L215S53-I55 VanDerWaalsContact C-N 3.33Å; S53-A76 WeakPolarHBondContact O-CA 3.27Å; S53-A76 WeakPolarHBondContact O-CB 3.18Å; S53-K77 PolarHBondContact O-N 3.29Å; S53-L215 VanDerWaalsContact CB-CD2 3.43Å; S53-L215 WeakPolarHBondContact OG-CD2 3.42Å
54I96.4Very high92.7Very high0 Ų040.6 Ų40.60%021%0.213CC..SBendtrans-80.3-12-178.465.3176000113.7V42 F137 L141 F173 Y195 M199 L203 Y214V42-I54 HydrophobicContact CG1-CG1 4.09Å; V42-I54 HydrophobicContact CG2-CD1 3.94Å; V42-I54 HydrophobicContact CG2-CG1 3.91Å; I54-F137 HydrophobicContact CG2-CE1 4.06Å; I54-F137 HydrophobicContact CG2-CZ 4.25Å; I54-L141 HydrophobicContact CB-CD2 4.43Å; I54-L141 HydrophobicContact CG2-CD1 3.95Å; I54-L141 HydrophobicContact CG2-CD2 4.17Å; I54-F173 HydrophobicContact CD1-CD2 4.32Å; I54-F173 HydrophobicContact CD1-CE2 3.92Å; I54-Y195 PolarHBondContact O-OH 2.92Å; I54-M199 VanDerWaalsContact O-SD 3.4Å; I54-L203 HydrophobicContact CD1-CD1 4.18Å; I54-L203 HydrophobicContact CD1-CD2 4.06Å; I54-Y214 HydrophobicContact CG2-CD1 4.15Å; I54-Y214 HydrophobicContact CG2-CE1 3.67Å
55I95.2Very high92.7Very high0 Ų041.8 Ų41.80%022%0.222CC..SBendtrans-150.5143.2171.9-168.5177.2000108.2V42 S52 S53 P57 L73 D74 F173 W175 F178 I196V42-I55 HydrophobicContact CG1-CG2 3.79Å; S52-I55 PolarHBondContact OG-O 3.47Å; S53-I55 VanDerWaalsContact C-N 3.33Å; I55-P57 VanDerWaalsContact O-CD 3.28Å; I55-P57 WeakPolarHBondContact O-CD 3.34Å; I55-L73 HydrophobicContact CD1-CB 4.23Å; I55-L73 HydrophobicContact CD1-CD2 4.31Å; I55-D74 VanDerWaalsContact CG1-O 3.28Å; I55-D74 WeakPolarHBondContact CG1-O 3.39Å; I55-F173 HydrophobicContact CG2-CZ 4.22Å; I55-W175 HydrophobicContact CD1-CH2 3.34Å; I55-W175 HydrophobicContact CD1-CZ3 3.45Å; I55-W175 VanDerWaalsContact CD1-CZ3 3.45Å; I55-F178 HydrophobicContact CG2-CD2 4.48Å; I55-F178 HydrophobicContact CG2-CE2 3.68Å; I55-F178 HydrophobicContact CG2-CZ 3.79Å; I55-I196 HydrophobicContact CD1-CD1 4.23Å
56T94.3Very high92.5Very high19 Ų1947.2 Ų47.212%0.11726%0.255CS..EExtended strand (participates in β ladder)trans-109.397.4180-52.80000110.1S52 Y58 D74 Q75S52-T56 WeakPolarHBondContact OG-CA 3.2Å; S52-T56 WeakPolarHBondContact OG-CB 3.37Å; S52-T56 PolarHBondContact OG-OG1 3.11Å; T56-Y58 HydrophobicContact CG2-CD1 4.49Å; T56-D74 PolarHBondContact N-O 2.98Å; T56-D74 PolarHBondContact O-N 3.32Å; T56-Q75 WeakPolarHBondContact CB-O 3.3Å; T56-Q75 PolarHBondContact OG1-O 3.49Å
57P93.6Very high92.4Very high1 Ų151.4 Ų51.41%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-80.9142.5169.833.7-35.2000111.1W46 I55 L71 V72 L73 F178 F182W46-P57 HydrophobicContact CB-CG 3.99Å; W46-P57 VanDerWaalsContact CD1-CG 3.5Å; W46-P57 HydrophobicContact CD2-CG 3.94Å; W46-P57 HydrophobicContact CG-CG 3.52Å; W46-P57 WeakPolarHBondContact CZ2-O 3.47Å; W46-P57 PolarHBondContact NE1-O 3.3Å; I55-P57 VanDerWaalsContact O-CD 3.28Å; I55-P57 WeakPolarHBondContact O-CD 3.34Å; P57-L71 HydrophobicContact CB-CD1 4.14Å; P57-V72 CarbonylContact C-O 3.6Å; P57-V72 WeakPolarHBondContact CA-O 3.47Å; P57-L73 HydrophobicContact CB-CD2 3.93Å; P57-F178 HydrophobicContact CB-CE1 4.33Å; P57-F178 HydrophobicContact CB-CZ 3.95Å; P57-F178 HydrophobicContact CG-CZ 3.87Å; P57-F182 HydrophobicContact CB-CE1 4.14Å; P57-F182 HydrophobicContact CB-CZ 3.84Å; P57-F182 HydrophobicContact CG-CE1 4.42Å; P57-F182 HydrophobicContact CG-CZ 3.81Å
58Y91.7Very high92.5Very high90 Ų9051.2 Ų51.235%0.35329%0.285SS..EExtended strand (participates in β ladder)trans-155163.5166.560.5-84.7000111.1T56 V72 D74T56-Y58 HydrophobicContact CG2-CD1 4.49Å; Y58-V72 HydrophobicContact CD1-CB 4.17Å; Y58-V72 HydrophobicContact CD1-CG1 4.45Å; Y58-V72 HydrophobicContact CD2-CB 3.98Å; Y58-V72 HydrophobicContact CD2-CG2 4.21Å; Y58-V72 HydrophobicContact CE1-CB 3.86Å; Y58-V72 HydrophobicContact CE1-CG1 3.68Å; Y58-V72 HydrophobicContact CE2-CB 3.66Å; Y58-V72 HydrophobicContact CE2-CG1 3.93Å; Y58-V72 HydrophobicContact CE2-CG2 3.79Å; Y58-V72 HydrophobicContact CG-CB 4.24Å; Y58-V72 PolarHBondContact N-O 3.03Å; Y58-V72 PolarHBondContact O-N 3.25Å; Y58-V72 WeakPolarHBondContact OH-CG1 3.46Å; Y58-D74 HydrophobicContact CE1-CB 4.15Å
59V91.2Very high92.6Very high88 Ų8853.4 Ų53.453%0.53329%0.291SS..EExtended strand (participates in β ladder)trans-104.1131.6175.8-179.60000109N69V59-N69 HydrophobicContact CG1-CB 3.79Å
60S91.2Very high92.7Very high49 Ų4953.3 Ų53.334%0.34329%0.291SS..EExtended strand (participates in β ladder)trans-138.1166.1177.1-174.40000110.2N69 I70S60-N69 CarbonylContact O-C 2.99Å; S60-N69 VanDerWaalsContact O-CA 3.25Å; S60-N69 WeakPolarHBondContact O-CA 2.9Å; S60-I70 PolarHBondContact N-O 3.23Å; S60-I70 VanDerWaalsContact N-O 3.16Å; S60-I70 PolarHBondContact O-N 3.4Å
61A93.1Very high92.9Very high43 Ų4352.9 Ų52.936%0.35528%0.284SS..EExtended strand (participates in β ladder)trans-60.5141163.900000109.9E63A61-E63 PolarHBondContact O-N 3.08Å
62D93.9Very high93Very high2 Ų252.9 Ų52.91%0.01128%0.284CS..EExtended strand (participates in β ladder)trans-70.4116.3171.6-179.7-29.1000109R64 N65 V66 T68 I70 Y158 K160D62-R64 PolarHBondContact O-N 2.59Å; D62-R64 WeakPolarHBondContact OD1-CA 3.22Å; D62-R64 PolarHBondContact OD1-N 3.31Å; D62-N65 HydrophobicContact CB-CB 4.48Å; D62-N65 CarbonylContact O-C 3.56Å; D62-N65 PolarHBondContact O-N 2.87Å; D62-N65 PolarHBondContact OD1-N 3.4Å; D62-V66 WeakPolarHBondContact O-CA 3.35Å; D62-V66 PolarHBondContact O-N 2.87Å; D62-T68 PolarHBondContact N-O 2.7Å; D62-I70 HydrophobicContact CB-CB 4.2Å; D62-I70 HydrophobicContact CB-CG2 4.04Å; D62-Y158 PolarHBondContact OD1-OH 3.43Å; D62-K160 IonicContact OD2-NZ 2.66Å; D62-K160 PolarHBondContact OD2-NZ 2.61Å
63E89.9Confident93.1Very high112 Ų11252.6 Ų52.652%0.52328%0.282SS..THydrogen-bonded Turntrans-58.1-22.7-177.5-58.4-176.9178.300113.8A61 Y158A61-E63 PolarHBondContact O-N 3.08Å; E63-Y158 HydrophobicContact CB-CD2 3.84Å; E63-Y158 HydrophobicContact CB-CE2 3.98Å; E63-Y158 HydrophobicContact CG-CD2 4.12Å
64R91.7Very high93.2Very high185 Ų18553.6 Ų53.670%0.69829%0.287SS*.THydrogen-bonded Turntrans-102.5-8.3176.1-59.5-168.7-172-169.34.4113.4D62 Y158D62-R64 PolarHBondContact O-N 2.59Å; D62-R64 WeakPolarHBondContact OD1-CA 3.22Å; D62-R64 PolarHBondContact OD1-N 3.31Å; R64-Y158 VanDerWaalsContact CD-CE1 3.42Å; R64-Y158 HydrophobicContact CG-CD1 4.39Å; R64-Y158 HydrophobicContact CG-CE1 3.82Å; R64-Y158 HydrophobicContact CG-CE2 4.04Å; R64-Y158 VanDerWaalsContact NE-CD1 3.29Å
65N92.3Very high93.1Very high68 Ų6854.2 Ų54.236%0.36429%0.29SS..EExtended strand (participates in β ladder)trans-147.780.4168.5-177.121.1000111.7D62 T67 T68D62-N65 HydrophobicContact CB-CB 4.48Å; D62-N65 CarbonylContact O-C 3.56Å; D62-N65 PolarHBondContact O-N 2.87Å; D62-N65 PolarHBondContact OD1-N 3.4Å; N65-T67 PolarHBondContact ND2-OG1 3.04Å; N65-T67 PolarHBondContact O-N 3.49Å; N65-T67 PolarHBondContact OD1-OG1 2.94Å; N65-T68 WeakPolarHBondContact ND2-CG2 3.15Å; N65-T68 PolarHBondContact ND2-OG1 3.13Å; N65-T68 PolarHBondContact O-N 2.89Å; N65-T68 PolarHBondContact O-OG1 3.31Å
66V89.4Confident93.2Very high114 Ų11454.4 Ų54.469%0.69129%0.292SS*.EExtended strand (participates in β ladder)trans-63.4-2.9-176.1-59.40000115.1D62 T68D62-V66 WeakPolarHBondContact O-CA 3.35Å; D62-V66 PolarHBondContact O-N 2.87Å; V66-T68 VanDerWaalsContact C-N 3.3Å
67T92.5Very high93.1Very high122 Ų12254.7 Ų54.775%0.74829%0.292SS*.EExtended strand (participates in β ladder)trans-80.9-11.217069.60000113.2N65N65-T67 PolarHBondContact ND2-OG1 3.04Å; N65-T67 PolarHBondContact O-N 3.49Å; N65-T67 PolarHBondContact OD1-OG1 2.94Å
68T92.9Very high93.2Very high58 Ų5854.8 Ų54.836%0.35629%0.292SS..EExtended strand (participates in β ladder)trans-125.5148.6-17851.20000111.4D62 N65 V66D62-T68 PolarHBondContact N-O 2.7Å; N65-T68 WeakPolarHBondContact ND2-CG2 3.15Å; N65-T68 PolarHBondContact ND2-OG1 3.13Å; N65-T68 PolarHBondContact O-N 2.89Å; N65-T68 PolarHBondContact O-OG1 3.31Å; V66-T68 VanDerWaalsContact C-N 3.3Å
69N92.9Very high93.4Very high124 Ų12451.3 Ų51.366%0.66328%0.283SS*.EExtended strand (participates in β ladder)trans-89.7153.7168.3-68.4-34000110.7V59 S60V59-N69 HydrophobicContact CG1-CB 3.79Å; S60-N69 CarbonylContact O-C 2.99Å; S60-N69 VanDerWaalsContact O-CA 3.25Å; S60-N69 WeakPolarHBondContact O-CA 2.9Å
70I94.1Very high93.5Very high12 Ų1247.7 Ų47.76%0.06226%0.261CS..EExtended strand (participates in β ladder)trans-133.1145.7174.2-166.9164.3000110.1S60 D62 V72 K160 N189S60-I70 PolarHBondContact N-O 3.23Å; S60-I70 VanDerWaalsContact N-O 3.16Å; S60-I70 PolarHBondContact O-N 3.4Å; D62-I70 HydrophobicContact CB-CB 4.2Å; D62-I70 HydrophobicContact CB-CG2 4.04Å; I70-V72 HydrophobicContact CG2-CG2 4.12Å; I70-V72 PolarHBondContact O-N 3.23Å; I70-K160 HydrophobicContact CD1-CD 3.77Å; I70-K160 HydrophobicContact CD1-CG 3.89Å; I70-N189 HydrophobicContact CD1-CB 4.22Å; I70-N189 HydrophobicContact CG2-CB 4.45Å
71L94.3Very high93.5Very high13 Ų1346 Ų467%0.06825%0.251CS..EExtended strand (participates in β ladder)trans-73.5118.4167.517561.2000108.3P57 L73 L179 F182 V188 N189P57-L71 HydrophobicContact CB-CD1 4.14Å; L71-L73 HydrophobicContact CD1-CD2 4.3Å; L71-L73 HydrophobicContact CD2-CD2 4.28Å; L71-L73 HydrophobicContact CG-CD2 4.09Å; L71-L73 HydrophobicContact CG-CG 4.48Å; L71-L179 HydrophobicContact CD2-CD2 3.48Å; L71-L179 VanDerWaalsContact CD2-CD2 3.48Å; L71-F182 HydrophobicContact CD1-CD1 4.14Å; L71-F182 HydrophobicContact CD1-CE1 4.32Å; L71-F182 HydrophobicContact CD2-CB 4.06Å; L71-F182 HydrophobicContact CD2-CD1 4.34Å; L71-F182 HydrophobicContact CD2-CG 4.17Å; L71-V188 HydrophobicContact CB-CG1 4.25Å; L71-V188 HydrophobicContact CD2-CG1 4.03Å; L71-V188 HydrophobicContact CG-CG1 4.18Å; L71-V188 CarbonylContact O-C 3.59Å; L71-V188 WeakPolarHBondContact O-CA 3.2Å; L71-V188 WeakPolarHBondContact O-CB 3.41Å; L71-N189 PolarHBondContact O-N 3.18Å
72V95Very high93.1Very high4 Ų446.6 Ų46.62%0.02425%0.253CS..EExtended strand (participates in β ladder)trans-98136.5174.8-169.70000108.8P57 Y58 I70 N189 V191P57-V72 CarbonylContact C-O 3.6Å; P57-V72 WeakPolarHBondContact CA-O 3.47Å; Y58-V72 HydrophobicContact CD1-CB 4.17Å; Y58-V72 HydrophobicContact CD1-CG1 4.45Å; Y58-V72 HydrophobicContact CD2-CB 3.98Å; Y58-V72 HydrophobicContact CD2-CG2 4.21Å; Y58-V72 HydrophobicContact CE1-CB 3.86Å; Y58-V72 HydrophobicContact CE1-CG1 3.68Å; Y58-V72 HydrophobicContact CE2-CB 3.66Å; Y58-V72 HydrophobicContact CE2-CG1 3.93Å; Y58-V72 HydrophobicContact CE2-CG2 3.79Å; Y58-V72 HydrophobicContact CG-CB 4.24Å; Y58-V72 PolarHBondContact N-O 3.03Å; Y58-V72 PolarHBondContact O-N 3.25Å; Y58-V72 WeakPolarHBondContact OH-CG1 3.46Å; I70-V72 HydrophobicContact CG2-CG2 4.12Å; I70-V72 PolarHBondContact O-N 3.23Å; V72-N189 CarbonylContact C-O 3.6Å; V72-N189 WeakPolarHBondContact CA-O 3.31Å; V72-N189 HydrophobicContact CG1-CB 4.27Å; V72-N189 HydrophobicContact CG2-CB 4.26Å; V72-V191 HydrophobicContact CG1-CG2 3.43Å; V72-V191 VanDerWaalsContact CG1-CG2 3.43Å
73L95.7Very high92.7Very high0 Ų054.2 Ų54.20%029%0.286CS..EExtended strand (participates in β ladder)trans-122.2121.3178.9-61.3-179.7000108.8I55 P57 L71 L166 W175 F178 V188 N189 L190 V191I55-L73 HydrophobicContact CD1-CB 4.23Å; I55-L73 HydrophobicContact CD1-CD2 4.31Å; P57-L73 HydrophobicContact CB-CD2 3.93Å; L71-L73 HydrophobicContact CD1-CD2 4.3Å; L71-L73 HydrophobicContact CD2-CD2 4.28Å; L71-L73 HydrophobicContact CG-CD2 4.09Å; L71-L73 HydrophobicContact CG-CG 4.48Å; L73-L166 HydrophobicContact CD1-CD1 4.2Å; L73-L166 HydrophobicContact CD1-CD2 3.79Å; L73-W175 HydrophobicContact CD1-CE3 4.38Å; L73-W175 HydrophobicContact CD1-CH2 4.05Å; L73-W175 HydrophobicContact CD1-CZ3 3.65Å; L73-F178 HydrophobicContact CD2-CE1 3.72Å; L73-F178 HydrophobicContact CD2-CZ 4.4Å; L73-V188 HydrophobicContact CD1-CB 4.07Å; L73-V188 HydrophobicContact CD1-CG1 3.91Å; L73-V188 HydrophobicContact CD1-CG2 4.14Å; L73-V188 HydrophobicContact CG-CB 4.32Å; L73-V188 HydrophobicContact CG-CG1 4.31Å; L73-N189 PolarHBondContact N-O 3.44Å; L73-L190 HydrophobicContact CB-CD1 3.93Å; L73-V191 WeakPolarHBondContact O-CG2 3.17Å; L73-V191 PolarHBondContact O-N 3.35Å
74D95.4Very high92.9Very high21 Ų2149 Ų4911%0.11226%0.261CS..EExtended strand (participates in β ladder)trans-129.6169.4-174.5-164.59.2000111.6I55 T56 Y58 R151 V191I55-D74 VanDerWaalsContact CG1-O 3.28Å; I55-D74 WeakPolarHBondContact CG1-O 3.39Å; T56-D74 PolarHBondContact N-O 2.98Å; T56-D74 PolarHBondContact O-N 3.32Å; Y58-D74 HydrophobicContact CE1-CB 4.15Å; D74-R151 IonicContact OD1-CZ 2.83Å; D74-R151 VanDerWaalsContact OD1-CZ 3.31Å; D74-R151 IonicContact OD1-NH1 3.76Å; D74-R151 PolarHBondContact OD1-NH1 2.83Å; D74-R151 IonicContact OD1-NH2 3.09Å; D74-R151 PolarHBondContact OD1-NH2 3.2Å; D74-R151 IonicContact OD2-CZ 2.75Å; D74-R151 IonicContact OD2-NH1 3.75Å; D74-R151 IonicContact OD2-NH2 2.68Å; D74-R151 PolarHBondContact OD2-NH2 2.9Å; D74-V191 HydrophobicContact CB-CB 4.04Å; D74-V191 HydrophobicContact CB-CG2 3.83Å; D74-V191 WeakPolarHBondContact OD1-CB 3.23Å; D74-V191 WeakPolarHBondContact OD1-CG1 3.32Å
75Q95.9Very high93Very high13 Ų1340.9 Ų40.96%0.06123%0.231CC..  trans-60.4174-17772-173.926.600113.9T56 K77 N145 T146 E192 Y195T56-Q75 WeakPolarHBondContact CB-O 3.3Å; T56-Q75 PolarHBondContact OG1-O 3.49Å; Q75-K77 PolarHBondContact O-N 2.8Å; Q75-N145 PolarHBondContact NE2-ND2 3.44Å; Q75-T146 PolarHBondContact NE2-O 3.15Å; Q75-T146 PolarHBondContact OE1-O 2.9Å; Q75-E192 HydrophobicContact CB-CG 4.5Å; Q75-Y195 HydrophobicContact CB-CD1 3.93Å; Q75-Y195 HydrophobicContact CB-CD2 3.75Å; Q75-Y195 HydrophobicContact CB-CE1 4.22Å; Q75-Y195 HydrophobicContact CB-CE2 4.03Å; Q75-Y195 HydrophobicContact CB-CG 3.71Å
76A96Very high93.1Very high5 Ų541.1 Ų41.14%0.04123%0.233CC..  trans-59.3134.5-177.600000112.8S53 L78 L141 N145 Y195S53-A76 WeakPolarHBondContact O-CA 3.27Å; S53-A76 WeakPolarHBondContact O-CB 3.18Å; A76-L78 HydrophobicContact CB-CD2 4.31Å; A76-L141 HydrophobicContact CB-CB 4.36Å; A76-L141 HydrophobicContact CB-CD2 4.38Å; A76-N145 PolarHBondContact N-OD1 3.04Å; A76-N145 PolarHBondContact O-ND2 3.31Å; A76-Y195 HydrophobicContact CB-CE2 4.4Å; A76-Y195 WeakPolarHBondContact CB-OH 3.49Å
77K93.6Very high93.3Very high25 Ų2538.4 Ų38.411%0.10921%0.211CC..  trans-90.8106.6166-172.5168.8-180176.80109.2S53 Q75 S82 R218 D265 E268S53-K77 PolarHBondContact O-N 3.29Å; Q75-K77 PolarHBondContact O-N 2.8Å; K77-S82 WeakPolarHBondContact CE-OG 3.39Å; K77-R218 PolarHBondContact O-NE 3.04Å; K77-R218 PolarHBondContact O-NH2 3.43Å; K77-D265 PolarHBondContact NZ-O 2.84Å; K77-E268 IonicContact NZ-OE1 2.71Å; K77-E268 PolarHBondContact NZ-OE1 3.06Å; K77-E268 IonicContact NZ-OE2 2.98Å; K77-E268 PolarHBondContact NZ-OE2 2.95Å
78L95.3Very high93.5Very high2 Ų232.9 Ų32.91%0.0118%0.176CC..  trans-70.8161.4-177.3-51.2174.9000112.3A76 G81 E85 Y88 E138 L141 A142 R218A76-L78 HydrophobicContact CB-CD2 4.31Å; L78-G81 WeakPolarHBondContact O-CA 3.19Å; L78-G81 PolarHBondContact O-N 3.42Å; L78-E85 HydrophobicContact CD1-CG 4.04Å; L78-Y88 HydrophobicContact CB-CE2 3.77Å; L78-Y88 HydrophobicContact CD1-CD2 3.71Å; L78-Y88 HydrophobicContact CD1-CE2 3.6Å; L78-Y88 HydrophobicContact CG-CE2 4.26Å; L78-E138 WeakPolarHBondContact CA-OE1 3.33Å; L78-E138 HydrophobicContact CD2-CG 4.07Å; L78-L141 HydrophobicContact CD2-CB 4.03Å; L78-A142 HydrophobicContact CD1-CB 3.66Å; L78-A142 HydrophobicContact CD2-CB 4.37Å; L78-R218 PolarHBondContact O-NH2 3.16Å; L78-R218 VanDerWaalsContact O-NH2 3.09Å
79G95.2Very high93.6Very high17 Ų1733.3 Ų33.318%0.17518%0.176CC..THydrogen-bonded Turntrans-71.7-28.9-17200000115G81 Y88 E138 R218G79-G81 PolarHBondContact O-N 3.35Å; G79-Y88 PolarHBondContact N-OH 3.37Å; G79-E138 WeakPolarHBondContact CA-OE1 3.48Å; G79-E138 PolarHBondContact N-OE1 2.99Å; G79-R218 VanDerWaalsContact CA-CZ 3.49Å
80L94.4Very high93.8Very high12 Ų1231.5 Ų31.56%0.06316%0.162CC..THydrogen-bonded Turntrans-77.88.7166.4-64.1175.2000112.7Y87 Y88 V98 Y102 L238 F242L80-Y87 HydrophobicContact CD1-CG 4.41Å; L80-Y88 HydrophobicContact CB-CE2 4.13Å; L80-Y88 HydrophobicContact CD1-CE2 3.98Å; L80-Y88 HydrophobicContact CG-CE2 4.29Å; L80-Y88 PolarHBondContact N-OH 3.36Å; L80-V98 HydrophobicContact CD1-CG1 3.77Å; L80-V98 HydrophobicContact CD2-CG1 4.2Å; L80-Y102 HydrophobicContact CD2-CD2 3.94Å; L80-Y102 HydrophobicContact CD2-CG 4.07Å; L80-Y102 HydrophobicContact CG-CD2 4.43Å; L80-Y102 HydrophobicContact CG-CG 4.32Å; L80-L238 HydrophobicContact CD2-CD1 4.4Å; L80-F242 HydrophobicContact CB-CE1 4.4Å; L80-F242 HydrophobicContact CB-CE2 4.24Å; L80-F242 HydrophobicContact CB-CZ 3.99Å; L80-F242 HydrophobicContact CD2-CD2 4.43Å; L80-F242 HydrophobicContact CD2-CG 4.39Å; L80-F242 VanDerWaalsContact O-CE1 3.22Å; L80-F242 WeakPolarHBondContact O-CE1 3.32Å; L80-F242 WeakPolarHBondContact O-CZ 3.48Å
81G90.8Very high93.9Very high13 Ų1336.8 Ų36.813%0.13419%0.19CC..  trans90.2-167.1174.300000114.2L78 G79 S84L78-G81 WeakPolarHBondContact O-CA 3.19Å; L78-G81 PolarHBondContact O-N 3.42Å; G79-G81 PolarHBondContact O-N 3.35Å; G81-S84 WeakPolarHBondContact O-CB 3.31Å; G81-S84 PolarHBondContact O-OG 3.46Å
82S83.8Confident94Very high56 Ų5639.3 Ų39.339%0.39220%0.204SC..THydrogen-bonded Turntrans-68.4142.7-177-58.20000111.9K77 S84K77-S82 WeakPolarHBondContact CE-OG 3.39Å; S82-S84 PolarHBondContact O-N 3.45Å
83K86.8Confident94.1Very high162 Ų16243.5 Ų43.570%0.70423%0.233SC*.THydrogen-bonded Turntrans6029.1176.7-44.6177.4-177.1163.50113.9E85 A148K83-E85 VanDerWaalsContact CA-OE2 3.27Å; K83-E85 WeakPolarHBondContact CA-OE2 3.19Å; K83-A148 HydrophobicContact CB-CB 3.93Å; K83-A148 HydrophobicContact CD-CB 4.03Å; K83-A148 HydrophobicContact CG-CB 3.65Å
84S92.5Very high94Very high2 Ų247.5 Ų47.51%0.01426%0.258CS..  trans-96.52.9-173.661.90000114.1G81 S82 D86 Y87 Y88G81-S84 WeakPolarHBondContact O-CB 3.31Å; G81-S84 PolarHBondContact O-OG 3.46Å; S82-S84 PolarHBondContact O-N 3.45Å; S84-D86 PolarHBondContact O-N 3.15Å; S84-D86 VanDerWaalsContact O-N 3.09Å; S84-Y87 WeakPolarHBondContact O-CB 2.92Å; S84-Y87 PolarHBondContact O-N 3.17Å; S84-Y88 VanDerWaalsContact O-CD2 3.29Å; S84-Y88 WeakPolarHBondContact O-CD2 3.38Å
85E94.3Very high94Very high15 Ų1547.9 Ų47.97%0.0726%0.259CS..Hα-helixtrans-48.7-41.5-177.2-69.575.9-171.400112.7L78 K83 Y87 Y88 L89 N145L78-E85 HydrophobicContact CD1-CG 4.04Å; K83-E85 VanDerWaalsContact CA-OE2 3.27Å; K83-E85 WeakPolarHBondContact CA-OE2 3.19Å; E85-Y87 PolarHBondContact O-N 3.24Å; E85-Y88 WeakPolarHBondContact O-CA 3.37Å; E85-Y88 WeakPolarHBondContact O-CB 3.27Å; E85-Y88 PolarHBondContact O-N 2.59Å; E85-L89 WeakPolarHBondContact O-CG 3.45Å; E85-L89 PolarHBondContact O-N 3.05Å; E85-N145 HydrophobicContact CG-CB 3.97Å; E85-N145 PolarHBondContact OE1-ND2 2.86Å
86D93.8Very high94Very high73 Ų7351.4 Ų51.439%0.3928%0.275SS..Hα-helixtrans-53.6-38177.1-90.4-18.9000113.4S84 Y88 L89 K90 H95S84-D86 PolarHBondContact O-N 3.15Å; S84-D86 VanDerWaalsContact O-N 3.09Å; D86-Y88 VanDerWaalsContact C-N 3.27Å; D86-Y88 PolarHBondContact O-N 2.87Å; D86-L89 PolarHBondContact O-N 3.21Å; D86-K90 HydrophobicContact CB-CD 3.96Å; D86-K90 HydrophobicContact CB-CG 4.46Å; D86-K90 VanDerWaalsContact CG-CE 3.4Å; D86-K90 WeakPolarHBondContact O-CB 3.25Å; D86-K90 PolarHBondContact O-N 3.19Å; D86-K90 WeakPolarHBondContact OD1-CD 3.44Å; D86-K90 WeakPolarHBondContact OD1-CE 3.36Å; D86-K90 IonicContact OD1-NZ 3.26Å; D86-K90 PolarHBondContact OD1-NZ 2.97Å; D86-K90 VanDerWaalsContact OD1-NZ 3.09Å; D86-K90 IonicContact OD2-NZ 2.72Å; D86-K90 PolarHBondContact OD2-NZ 3.21Å; D86-H95 PolarHBondContact O-CD2 3.07Å
87Y94.6Very high94.1Very high58 Ų5852.9 Ų52.923%0.22729%0.285CS..Hα-helixtrans-67.2-28.8177.3-66-86.8000112L80 S84 E85 H95 V98 R99 F242L80-Y87 HydrophobicContact CD1-CG 4.41Å; S84-Y87 WeakPolarHBondContact O-CB 2.92Å; S84-Y87 PolarHBondContact O-N 3.17Å; E85-Y87 PolarHBondContact O-N 3.24Å; Y87-H95 AromaticContact CD1-CD2 3.61Å; Y87-H95 AromaticContact CE1-CD2 3.89Å; Y87-H95 AromaticContact CG-CD2 3.86Å; Y87-V98 HydrophobicContact CD1-CB 3.79Å; Y87-V98 HydrophobicContact CD1-CG1 3.74Å; Y87-V98 HydrophobicContact CD1-CG2 3.89Å; Y87-V98 HydrophobicContact CE1-CB 4.4Å; Y87-V98 HydrophobicContact CE1-CG1 4.41Å; Y87-V98 HydrophobicContact CE1-CG2 3.98Å; Y87-V98 HydrophobicContact CG-CG1 4.34Å; Y87-R99 VanDerWaalsContact O-CD 3.31Å; Y87-R99 WeakPolarHBondContact O-CD 3.41Å; Y87-R99 WeakPolarHBondContact O-CG 3.47Å; Y87-R99 PolarHBondContact O-NH1 2.76Å; Y87-F242 HydrophobicContact CD1-CD2 4.21Å; Y87-F242 HydrophobicContact CD1-CE2 4.06Å; Y87-F242 AromaticContact CD2-CE2 3.73Å; Y87-F242 HydrophobicContact CD2-CE2 3.73Å; Y87-F242 AromaticContact CE1-CD2 3.97Å; Y87-F242 HydrophobicContact CE1-CD2 3.97Å; Y87-F242 AromaticContact CE1-CE2 3.89Å; Y87-F242 HydrophobicContact CE1-CE2 3.89Å; Y87-F242 HydrophobicContact CE2-CD2 4.43Å; Y87-F242 AromaticContact CE2-CE2 3.56Å; Y87-F242 HydrophobicContact CE2-CE2 3.56Å; Y87-F242 HydrophobicContact CE2-CZ 4.35Å; Y87-F242 AromaticContact CG-CE2 3.97Å; Y87-F242 HydrophobicContact CG-CE2 3.97Å; Y87-F242 AromaticContact CZ-CE2 3.62Å
88Y96.2Very high94.2Very high6 Ų651.8 Ų51.82%0.02428%0.28CS..Hα-helixtrans-81.3-30.3175-60.8-90.5000112.7L78 G79 L80 S84 E85 D86 R99 Y102 E138 I139 A142L78-Y88 HydrophobicContact CB-CE2 3.77Å; L78-Y88 HydrophobicContact CD1-CD2 3.71Å; L78-Y88 HydrophobicContact CD1-CE2 3.6Å; L78-Y88 HydrophobicContact CG-CE2 4.26Å; G79-Y88 PolarHBondContact N-OH 3.37Å; L80-Y88 HydrophobicContact CB-CE2 4.13Å; L80-Y88 HydrophobicContact CD1-CE2 3.98Å; L80-Y88 HydrophobicContact CG-CE2 4.29Å; L80-Y88 PolarHBondContact N-OH 3.36Å; S84-Y88 VanDerWaalsContact O-CD2 3.29Å; S84-Y88 WeakPolarHBondContact O-CD2 3.38Å; E85-Y88 WeakPolarHBondContact O-CA 3.37Å; E85-Y88 WeakPolarHBondContact O-CB 3.27Å; E85-Y88 PolarHBondContact O-N 2.59Å; D86-Y88 VanDerWaalsContact C-N 3.27Å; D86-Y88 PolarHBondContact O-N 2.87Å; Y88-R99 PolarHBondContact O-NH1 3.45Å; Y88-Y102 HydrophobicContact CE1-CD1 4.43Å; Y88-Y102 HydrophobicContact CE1-CE1 4.17Å; Y88-E138 HydrophobicContact CD1-CG 4.33Å; Y88-E138 HydrophobicContact CE1-CB 4.37Å; Y88-E138 HydrophobicContact CE1-CG 3.64Å; Y88-E138 PolarHBondContact OH-OE1 3.48Å; Y88-I139 HydrophobicContact CD1-CG1 3.92Å; Y88-A142 HydrophobicContact CD1-CB 4.48Å; Y88-A142 HydrophobicContact CD2-CB 4.02Å; Y88-A142 HydrophobicContact CG-CB 3.76Å
89L96.2Very high94.3Very high66 Ų6653.5 Ų53.535%0.34629%0.287SS..Hα-helixtrans-109.1-31.5-164.9-57-175.8000115.8E85 D86 A142 R143E85-L89 WeakPolarHBondContact O-CG 3.45Å; E85-L89 PolarHBondContact O-N 3.05Å; D86-L89 PolarHBondContact O-N 3.21Å; L89-A142 HydrophobicContact CD2-CB 4.35Å; L89-R143 HydrophobicContact CD2-CB 4.4Å; L89-R143 HydrophobicContact CD2-CG 3.41Å; L89-R143 VanDerWaalsContact CD2-CG 3.41Å
90K96Very high94.4Very high86 Ų8657 Ų5737%0.37430%0.304SS..  trans-76.3149.2-176.9-73.5178.3168.7160.90112.3D86 H95 R99D86-K90 HydrophobicContact CB-CD 3.96Å; D86-K90 HydrophobicContact CB-CG 4.46Å; D86-K90 VanDerWaalsContact CG-CE 3.4Å; D86-K90 WeakPolarHBondContact O-CB 3.25Å; D86-K90 PolarHBondContact O-N 3.19Å; D86-K90 WeakPolarHBondContact OD1-CD 3.44Å; D86-K90 WeakPolarHBondContact OD1-CE 3.36Å; D86-K90 IonicContact OD1-NZ 3.26Å; D86-K90 PolarHBondContact OD1-NZ 2.97Å; D86-K90 VanDerWaalsContact OD1-NZ 3.09Å; D86-K90 IonicContact OD2-NZ 2.72Å; D86-K90 PolarHBondContact OD2-NZ 3.21Å; K90-H95 HydrophobicContact CB-CB 4.01Å; K90-R99 VanDerWaalsContact O-CZ 3.28Å; K90-R99 PolarHBondContact O-NH1 3.43Å; K90-R99 PolarHBondContact O-NH2 3.09Å
91N95.8Very high94.5Very high123 Ų12357.3 Ų57.366%0.65831%0.309SS*.  trans-111.912.7-173.2-77.2-32.3000114.7Q96 R99N91-Q96 PolarHBondContact O-NE2 3.29Å; N91-Q96 VanDerWaalsContact O-NE2 3.1Å; N91-R99 PolarHBondContact OD1-NH2 2.97Å; N91-R99 VanDerWaalsContact OD1-NH2 3.09Å
92D97.1Very high94.9Very high66 Ų6656.8 Ų56.835%0.35330%0.303SS..SBendtrans-74.1164.7165.363.385.3000111.9V94 H95 Q96D92-V94 VanDerWaalsContact C-N 3.29Å; D92-V94 PolarHBondContact O-N 2.98Å; D92-V94 WeakPolarHBondContact OD1-CB 3.08Å; D92-V94 PolarHBondContact OD1-N 3.17Å; D92-V94 VanDerWaalsContact OD1-N 3.1Å; D92-H95 IonicContact OD1-CE1 2.62Å; D92-H95 IonicContact OD1-CG 3.94Å; D92-H95 PolarHBondContact OD1-N 2.96Å; D92-H95 IonicContact OD1-ND1 3.25Å; D92-H95 PolarHBondContact OD1-ND1 3.24Å; D92-H95 IonicContact OD2-CE1 2.64Å; D92-H95 IonicContact OD2-CG 3.31Å; D92-H95 IonicContact OD2-ND1 3.2Å; D92-H95 PolarHBondContact OD2-ND1 2.91Å; D92-Q96 WeakPolarHBondContact O-CB 3.47Å; D92-Q96 WeakPolarHBondContact O-CG 3.49Å; D92-Q96 PolarHBondContact O-N 3.45Å
93S96.2Very high95.5Very high92 Ų9255 Ų5564%0.64329%0.292SS*.Hα-helixtrans-64.3-27.6-173.854.70000114.1S97S93-S97 WeakPolarHBondContact O-CB 3.39Å; S93-S97 PolarHBondContact O-N 3.25Å; S93-S97 PolarHBondContact O-OG 3.29Å
94V94.6Very high96Very high85 Ų8551 Ų5152%0.51528%0.276SS..Hα-helixtrans-70.4-58.3-179.4179.20000109D92 Q96 S97 V98D92-V94 VanDerWaalsContact C-N 3.29Å; D92-V94 PolarHBondContact O-N 2.98Å; D92-V94 WeakPolarHBondContact OD1-CB 3.08Å; D92-V94 PolarHBondContact OD1-N 3.17Å; D92-V94 VanDerWaalsContact OD1-N 3.1Å; V94-Q96 PolarHBondContact O-N 2.88Å; V94-S97 PolarHBondContact O-N 3.1Å; V94-S97 VanDerWaalsContact O-N 3.09Å; V94-S97 PolarHBondContact O-OG 3.47Å; V94-V98 PolarHBondContact O-N 3.24Å; V94-V98 VanDerWaalsContact O-N 3.12Å
95H95.5Very high96.3Very high29 Ų2951.2 Ų51.213%0.13428%0.277CS..Hα-helixtrans-62.3-41.2-179-59.890.3000111.6D86 Y87 K90 D92 S97 V98 R99D86-H95 PolarHBondContact O-CD2 3.07Å; Y87-H95 AromaticContact CD1-CD2 3.61Å; Y87-H95 AromaticContact CE1-CD2 3.89Å; Y87-H95 AromaticContact CG-CD2 3.86Å; K90-H95 HydrophobicContact CB-CB 4.01Å; D92-H95 IonicContact OD1-CE1 2.62Å; D92-H95 IonicContact OD1-CG 3.94Å; D92-H95 PolarHBondContact OD1-N 2.96Å; D92-H95 IonicContact OD1-ND1 3.25Å; D92-H95 PolarHBondContact OD1-ND1 3.24Å; D92-H95 IonicContact OD2-CE1 2.64Å; D92-H95 IonicContact OD2-CG 3.31Å; D92-H95 IonicContact OD2-ND1 3.2Å; D92-H95 PolarHBondContact OD2-ND1 2.91Å; H95-S97 PolarHBondContact O-N 3.01Å; H95-V98 PolarHBondContact O-N 3.33Å; H95-R99 PolarHBondContact O-N 2.99Å
96Q96.2Very high96.4Very high87 Ų8750.5 Ų50.541%0.40727%0.274SS..Hα-helixtrans-57.8-45172.3-76.2-178.3-3.300112.4N91 D92 V94 V98 R99 V100N91-Q96 PolarHBondContact O-NE2 3.29Å; N91-Q96 VanDerWaalsContact O-NE2 3.1Å; D92-Q96 WeakPolarHBondContact O-CB 3.47Å; D92-Q96 WeakPolarHBondContact O-CG 3.49Å; D92-Q96 PolarHBondContact O-N 3.45Å; V94-Q96 PolarHBondContact O-N 2.88Å; Q96-V98 VanDerWaalsContact C-N 3.26Å; Q96-V98 PolarHBondContact O-N 2.69Å; Q96-R99 PolarHBondContact O-N 2.64Å; Q96-V100 WeakPolarHBondContact O-CG2 3.47Å; Q96-V100 PolarHBondContact O-N 3.09Å
97S96.5Very high96.5Very high35 Ų3550 Ų5025%0.24527%0.268CS..Hα-helixtrans-67.9-25.3-178.878.80000113.6S93 V94 H95 A101 K241S93-S97 WeakPolarHBondContact O-CB 3.39Å; S93-S97 PolarHBondContact O-N 3.25Å; S93-S97 PolarHBondContact O-OG 3.29Å; V94-S97 PolarHBondContact O-N 3.1Å; V94-S97 VanDerWaalsContact O-N 3.09Å; V94-S97 PolarHBondContact O-OG 3.47Å; H95-S97 PolarHBondContact O-N 3.01Å; S97-A101 WeakPolarHBondContact O-CB 3.31Å; S97-A101 PolarHBondContact O-N 3.25Å; S97-K241 WeakPolarHBondContact O-CE 3.38Å; S97-K241 WeakPolarHBondContact OG-CE 3.5Å; S97-K241 PolarHBondContact OG-NZ 2.65Å
98V96.6Very high96.6Very high2 Ų251.4 Ų51.41%0.01228%0.275CS..Hα-helixtrans-74.8-43.2171175.10000110.9L80 Y87 V94 H95 Q96 V100 A101 Y102 F242L80-V98 HydrophobicContact CD1-CG1 3.77Å; L80-V98 HydrophobicContact CD2-CG1 4.2Å; Y87-V98 HydrophobicContact CD1-CB 3.79Å; Y87-V98 HydrophobicContact CD1-CG1 3.74Å; Y87-V98 HydrophobicContact CD1-CG2 3.89Å; Y87-V98 HydrophobicContact CE1-CB 4.4Å; Y87-V98 HydrophobicContact CE1-CG1 4.41Å; Y87-V98 HydrophobicContact CE1-CG2 3.98Å; Y87-V98 HydrophobicContact CG-CG1 4.34Å; V94-V98 PolarHBondContact O-N 3.24Å; V94-V98 VanDerWaalsContact O-N 3.12Å; H95-V98 PolarHBondContact O-N 3.33Å; Q96-V98 VanDerWaalsContact C-N 3.26Å; Q96-V98 PolarHBondContact O-N 2.69Å; V98-V100 VanDerWaalsContact C-N 3.32Å; V98-V100 PolarHBondContact O-N 3.2Å; V98-A101 PolarHBondContact O-N 3.03Å; V98-Y102 WeakPolarHBondContact O-CB 3.44Å; V98-Y102 PolarHBondContact O-N 3.07Å; V98-F242 HydrophobicContact CG1-CB 4.36Å; V98-F242 HydrophobicContact CG1-CD2 3.72Å; V98-F242 HydrophobicContact CG1-CE2 4.47Å; V98-F242 HydrophobicContact CG1-CG 4.39Å
99R96.3Very high96.5Very high38 Ų3851.1 Ų51.114%0.14327%0.274CS..Hα-helixtrans-56.4-46.5173.8-69.1-160.4-75-8316.3112.4Y87 Y88 K90 N91 H95 Q96 Y102 A103Y87-R99 VanDerWaalsContact O-CD 3.31Å; Y87-R99 WeakPolarHBondContact O-CD 3.41Å; Y87-R99 WeakPolarHBondContact O-CG 3.47Å; Y87-R99 PolarHBondContact O-NH1 2.76Å; Y88-R99 PolarHBondContact O-NH1 3.45Å; K90-R99 VanDerWaalsContact O-CZ 3.28Å; K90-R99 PolarHBondContact O-NH1 3.43Å; K90-R99 PolarHBondContact O-NH2 3.09Å; N91-R99 PolarHBondContact OD1-NH2 2.97Å; N91-R99 VanDerWaalsContact OD1-NH2 3.09Å; H95-R99 PolarHBondContact O-N 2.99Å; Q96-R99 PolarHBondContact O-N 2.64Å; R99-Y102 PolarHBondContact O-N 2.9Å; R99-A103 PolarHBondContact O-N 2.73Å
100V97.1Very high96.4Very high90 Ų9048.3 Ų48.355%0.54526%0.259SS..Hα-helixtrans-61.1-48.6178.3172.80000109.9Q96 V98 Y102 A103 E104Q96-V100 WeakPolarHBondContact O-CG2 3.47Å; Q96-V100 PolarHBondContact O-N 3.09Å; V98-V100 VanDerWaalsContact C-N 3.32Å; V98-V100 PolarHBondContact O-N 3.2Å; V100-Y102 VanDerWaalsContact C-N 3.28Å; V100-Y102 PolarHBondContact O-N 3.01Å; V100-A103 PolarHBondContact O-N 3.33Å; V100-E104 HydrophobicContact CG1-CG 4.29Å; V100-E104 WeakPolarHBondContact O-CB 3.39Å; V100-E104 WeakPolarHBondContact O-CG 3.09Å; V100-E104 PolarHBondContact O-N 3.42Å
101A97.6Very high96.2Very high20 Ų2047.9 Ų47.917%0.16526%0.258CS..Hα-helixtrans-60.4-36.9177.600000113.2S97 V98 T105 L238 K241S97-A101 WeakPolarHBondContact O-CB 3.31Å; S97-A101 PolarHBondContact O-N 3.25Å; V98-A101 PolarHBondContact O-N 3.03Å; A101-T105 WeakPolarHBondContact O-CB 3.32Å; A101-T105 PolarHBondContact O-N 3.09Å; A101-T105 PolarHBondContact O-OG1 3.08Å; A101-L238 HydrophobicContact CB-CD1 4.27Å; A101-K241 HydrophobicContact CB-CB 4.24Å; A101-K241 HydrophobicContact CB-CG 3.58Å
102Y98.1Very high95.9Very high2 Ų243.5 Ų43.51%0.00824%0.235CC..Hα-helixtrans-67.2-44.8176.8-178.2-123.9000112.4L80 Y88 V98 R99 V100 T105 A106 I135 E138 W217 L221 L238L80-Y102 HydrophobicContact CD2-CD2 3.94Å; L80-Y102 HydrophobicContact CD2-CG 4.07Å; L80-Y102 HydrophobicContact CG-CD2 4.43Å; L80-Y102 HydrophobicContact CG-CG 4.32Å; Y88-Y102 HydrophobicContact CE1-CD1 4.43Å; Y88-Y102 HydrophobicContact CE1-CE1 4.17Å; V98-Y102 WeakPolarHBondContact O-CB 3.44Å; V98-Y102 PolarHBondContact O-N 3.07Å; R99-Y102 PolarHBondContact O-N 2.9Å; V100-Y102 VanDerWaalsContact C-N 3.28Å; V100-Y102 PolarHBondContact O-N 3.01Å; Y102-T105 WeakPolarHBondContact O-CB 3.28Å; Y102-T105 PolarHBondContact O-N 3.25Å; Y102-A106 PolarHBondContact O-N 3.12Å; Y102-A106 VanDerWaalsContact O-N 3.11Å; Y102-I135 HydrophobicContact CD1-CD1 3.51Å; Y102-I135 HydrophobicContact CE1-CD1 3.4Å; Y102-I135 HydrophobicContact CG-CD1 4.42Å; Y102-E138 WeakPolarHBondContact CE1-OE2 3.49Å; Y102-E138 VanDerWaalsContact CZ-OE2 3.27Å; Y102-E138 PolarHBondContact OH-OE2 2.99Å; Y102-W217 AromaticContact CE2-CZ2 3.95Å; Y102-W217 HydrophobicContact CE2-CZ2 3.95Å; Y102-W217 AromaticContact CE2-NE1 3.85Å; Y102-W217 AromaticContact CZ-NE1 3.48Å; Y102-W217 PolarHBondContact OH-NE1 3.28Å; Y102-L221 HydrophobicContact CE2-CD1 4.5Å; Y102-L221 HydrophobicContact CE2-CD2 3.66Å; Y102-L238 HydrophobicContact CD2-CD1 4.44Å; Y102-L238 HydrophobicContact CD2-CD2 3.82Å; Y102-L238 HydrophobicContact CE2-CD2 4.48Å
103A97.8Very high95.6Very high18 Ų1840.5 Ų40.515%0.14922%0.218CC..Hα-helixtrans-63.4-42.9173.800000112.3R99 V100 T105 A106 K107 I135R99-A103 PolarHBondContact O-N 2.73Å; V100-A103 PolarHBondContact O-N 3.33Å; A103-T105 VanDerWaalsContact C-N 3.32Å; A103-T105 PolarHBondContact O-N 2.87Å; A103-A106 PolarHBondContact O-N 2.91Å; A103-K107 WeakPolarHBondContact O-CG 2.99Å; A103-K107 PolarHBondContact O-N 3.19Å; A103-I135 HydrophobicContact CB-CD1 4.45Å; A103-I135 HydrophobicContact CB-CG1 4.02Å
104E97.7Very high95.1Very high78 Ų7837.3 Ų37.336%0.36420%0.196SC..Hα-helixtrans-66.3-33.5175.9-68-52.3126.200112.3V100 K107 K108V100-E104 HydrophobicContact CG1-CG 4.29Å; V100-E104 WeakPolarHBondContact O-CB 3.39Å; V100-E104 WeakPolarHBondContact O-CG 3.09Å; V100-E104 PolarHBondContact O-N 3.42Å; E104-K107 PolarHBondContact O-N 3.08Å; E104-K107 WeakPolarHBondContact OE1-CE 3.31Å; E104-K107 IonicContact OE1-NZ 2.72Å; E104-K107 PolarHBondContact OE1-NZ 2.88Å; E104-K108 WeakPolarHBondContact O-CB 3.44Å; E104-K108 VanDerWaalsContact O-CG 3.3Å; E104-K108 WeakPolarHBondContact O-CG 3.3Å; E104-K108 PolarHBondContact O-N 3.41Å
105T98Very high94.6Very high7 Ų739.5 Ų39.54%0.04321%0.205CC..Hα-helixtrans-60.5-47.6172.1-62.60000110.9A101 Y102 A103 K108 I109 W217 I234 L238A101-T105 WeakPolarHBondContact O-CB 3.32Å; A101-T105 PolarHBondContact O-N 3.09Å; A101-T105 PolarHBondContact O-OG1 3.08Å; Y102-T105 WeakPolarHBondContact O-CB 3.28Å; Y102-T105 PolarHBondContact O-N 3.25Å; A103-T105 VanDerWaalsContact C-N 3.32Å; A103-T105 PolarHBondContact O-N 2.87Å; T105-K108 PolarHBondContact O-N 3.08Å; T105-I109 VanDerWaalsContact O-CG1 3.3Å; T105-I109 WeakPolarHBondContact O-CG1 3.34Å; T105-I109 PolarHBondContact O-N 3.43Å; T105-W217 HydrophobicContact CG2-CH2 4.18Å; T105-I234 HydrophobicContact CG2-CG2 4.05Å; T105-L238 HydrophobicContact CG2-CB 4.32Å; T105-L238 HydrophobicContact CG2-CD2 4.03Å
106A97.1Very high93.9Very high0 Ų038.6 Ų38.60%020%0.201CC..Hα-helixtrans-60.3-47.9175.800000111.7Y102 A103 K108 I109 F110 V131 W217Y102-A106 PolarHBondContact O-N 3.12Å; Y102-A106 VanDerWaalsContact O-N 3.11Å; A103-A106 PolarHBondContact O-N 2.91Å; A106-K108 PolarHBondContact O-N 2.99Å; A106-I109 PolarHBondContact O-N 2.91Å; A106-F110 WeakPolarHBondContact O-CD2 3.45Å; A106-F110 PolarHBondContact O-N 3.36Å; A106-V131 HydrophobicContact CB-CG1 3.68Å; A106-V131 HydrophobicContact CB-CG2 4.14Å; A106-W217 HydrophobicContact CB-CD2 4.12Å; A106-W217 HydrophobicContact CB-CE3 4.25Å; A106-W217 HydrophobicContact CB-CH2 3.89Å; A106-W217 HydrophobicContact CB-CZ2 3.69Å; A106-W217 HydrophobicContact CB-CZ3 4.16Å
107K95.9Very high93Very high62 Ų6242.3 Ų42.327%0.2722%0.216SC..Hα-helixtrans-56.8-51.4175.6-67.5177.2-167.3167.20112.2A103 E104 I109 F110 H111 V131A103-K107 WeakPolarHBondContact O-CG 2.99Å; A103-K107 PolarHBondContact O-N 3.19Å; E104-K107 PolarHBondContact O-N 3.08Å; E104-K107 WeakPolarHBondContact OE1-CE 3.31Å; E104-K107 IonicContact OE1-NZ 2.72Å; E104-K107 PolarHBondContact OE1-NZ 2.88Å; K107-I109 VanDerWaalsContact C-N 3.29Å; K107-I109 PolarHBondContact O-N 2.81Å; K107-F110 PolarHBondContact O-N 2.62Å; K107-H111 WeakPolarHBondContact O-CB 3.22Å; K107-H111 PolarHBondContact O-CD2 2.64Å; K107-H111 PolarHBondContact O-N 3.2Å; K107-V131 HydrophobicContact CG-CB 4.05Å; K107-V131 HydrophobicContact CG-CG1 3.87Å; K107-V131 HydrophobicContact CG-CG2 4.15Å
108K95.7Very high92Very high88 Ų8844.6 Ų44.638%0.38322%0.222SC..Hα-helixtrans-55.1-44.6179.1-77.4-177.1-179.3-165.50111.7E104 T105 A106 L112 I234 E237E104-K108 WeakPolarHBondContact O-CB 3.44Å; E104-K108 VanDerWaalsContact O-CG 3.3Å; E104-K108 WeakPolarHBondContact O-CG 3.3Å; E104-K108 PolarHBondContact O-N 3.41Å; T105-K108 PolarHBondContact O-N 3.08Å; A106-K108 PolarHBondContact O-N 2.99Å; K108-L112 VanDerWaalsContact O-CB 3.31Å; K108-L112 WeakPolarHBondContact O-CB 3.37Å; K108-L112 PolarHBondContact O-N 3.43Å; K108-I234 HydrophobicContact CB-CD1 4.22Å; K108-I234 HydrophobicContact CB-CG2 4.11Å; K108-I234 HydrophobicContact CD-CG1 4.49Å; K108-I234 HydrophobicContact CD-CG2 4.07Å; K108-E237 IonicContact NZ-OE1 2.74Å; K108-E237 IonicContact NZ-OE2 2.63Å; K108-E237 PolarHBondContact NZ-OE2 2.85Å
109I94.9Very high90.7Very high0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-68.8-44.5179.8-67-62.6000111.6T105 A106 K107 H111 L112 M113 W217 I220 L224 Y231 I234T105-I109 VanDerWaalsContact O-CG1 3.3Å; T105-I109 WeakPolarHBondContact O-CG1 3.34Å; T105-I109 PolarHBondContact O-N 3.43Å; A106-I109 PolarHBondContact O-N 2.91Å; K107-I109 VanDerWaalsContact C-N 3.29Å; K107-I109 PolarHBondContact O-N 2.81Å; I109-H111 VanDerWaalsContact C-N 3.34Å; I109-H111 PolarHBondContact O-N 3.03Å; I109-L112 PolarHBondContact O-N 3.49Å; I109-M113 HydrophobicContact CG2-CG 4.39Å; I109-M113 HydrophobicContact CG2-SD 3.86Å; I109-M113 WeakPolarHBondContact O-CB 3.42Å; I109-M113 VanDerWaalsContact O-CG 3.28Å; I109-M113 WeakPolarHBondContact O-CG 3.31Å; I109-M113 PolarHBondContact O-N 3.18Å; I109-W217 HydrophobicContact CB-CZ3 4.16Å; I109-W217 HydrophobicContact CG1-CZ3 4.48Å; I109-W217 HydrophobicContact CG2-CZ3 4.14Å; I109-I220 HydrophobicContact CG2-CG2 3.59Å; I109-L224 HydrophobicContact CD1-CD1 4.03Å; I109-L224 HydrophobicContact CD1-CD2 3.65Å; I109-L224 HydrophobicContact CD1-CG 4.49Å; I109-L224 HydrophobicContact CG1-CD1 3.88Å; I109-L224 HydrophobicContact CG1-CD2 4.07Å; I109-L224 HydrophobicContact CG2-CD2 4.14Å; I109-Y231 HydrophobicContact CD1-CD1 3.98Å; I109-Y231 HydrophobicContact CG2-CE1 4.46Å; I109-I234 HydrophobicContact CD1-CB 4.02Å; I109-I234 HydrophobicContact CD1-CD1 3.85Å; I109-I234 HydrophobicContact CD1-CG2 3.86Å; I109-I234 HydrophobicContact CG1-CG2 4.01Å
110F93.1Very high88.6Confident7 Ų751 Ų513%0.03126%0.259CS..Hα-helixtrans-66.4-34178-76.3-61.6000113L28 A106 K107 M113 S114 I127 V131 I134 Y216 W217 I220L28-F110 HydrophobicContact CD1-CD1 4.32Å; L28-F110 HydrophobicContact CD1-CD2 4.44Å; L28-F110 HydrophobicContact CD1-CE1 3.94Å; L28-F110 HydrophobicContact CD1-CE2 4.07Å; L28-F110 HydrophobicContact CD1-CZ 3.8Å; L28-F110 HydrophobicContact CD2-CB 4.15Å; L28-F110 HydrophobicContact CD2-CD1 3.95Å; L28-F110 HydrophobicContact CD2-CD2 4.21Å; L28-F110 HydrophobicContact CD2-CE1 4.4Å; L28-F110 HydrophobicContact CD2-CG 3.85Å; A106-F110 WeakPolarHBondContact O-CD2 3.45Å; A106-F110 PolarHBondContact O-N 3.36Å; K107-F110 PolarHBondContact O-N 2.62Å; F110-M113 PolarHBondContact O-N 3.38Å; F110-S114 PolarHBondContact O-N 3.49Å; F110-I127 HydrophobicContact CB-CG1 4.49Å; F110-I127 HydrophobicContact CB-CG2 3.67Å; F110-V131 HydrophobicContact CD2-CG2 3.56Å; F110-V131 HydrophobicContact CE2-CG2 4.08Å; F110-I134 HydrophobicContact CE2-CD1 3.88Å; F110-I134 HydrophobicContact CZ-CD1 4.2Å; F110-Y216 AromaticContact CE1-CD1 3.98Å; F110-Y216 HydrophobicContact CE1-CD1 3.98Å; F110-Y216 HydrophobicContact CE1-CE1 4.12Å; F110-Y216 HydrophobicContact CZ-CD1 4.4Å; F110-W217 HydrophobicContact CE2-CB 4.34Å; F110-W217 HydrophobicContact CE2-CD2 4.28Å; F110-W217 AromaticContact CE2-CE3 3.81Å; F110-W217 HydrophobicContact CE2-CE3 3.81Å; F110-W217 HydrophobicContact CZ-CB 4.11Å; F110-W217 HydrophobicContact CZ-CE3 4.05Å; F110-I220 HydrophobicContact CE1-CD1 3.64Å; F110-I220 HydrophobicContact CZ-CD1 3.99Å
111H91.6Very high86.5Confident76 Ų7652 Ų5235%0.35226%0.259SS..Hα-helixtrans-66.1-46.2169-76.6-62.8000112K107 I109 M113 S114 D115 I127K107-H111 WeakPolarHBondContact O-CB 3.22Å; K107-H111 PolarHBondContact O-CD2 2.64Å; K107-H111 PolarHBondContact O-N 3.2Å; I109-H111 VanDerWaalsContact C-N 3.34Å; I109-H111 PolarHBondContact O-N 3.03Å; H111-M113 PolarHBondContact O-N 3.34Å; H111-S114 WeakPolarHBondContact CA-OG 3.4Å; H111-S114 PolarHBondContact O-N 2.92Å; H111-S114 VanDerWaalsContact O-N 3.09Å; H111-S114 PolarHBondContact O-OG 2.93Å; H111-D115 PolarHBondContact O-N 3.43Å; H111-D115 VanDerWaalsContact O-N 3.13Å; H111-I127 WeakPolarHBondContact ND1-CD1 3.49Å
112L91Very high84.7Confident32 Ų3252.7 Ų52.717%0.16826%0.262CS..Hα-helixtrans-60-33.1176.3-177.463.7000112.3K108 I109 R230 Y231 I234K108-L112 VanDerWaalsContact O-CB 3.31Å; K108-L112 WeakPolarHBondContact O-CB 3.37Å; K108-L112 PolarHBondContact O-N 3.43Å; I109-L112 PolarHBondContact O-N 3.49Å; L112-R230 HydrophobicContact CD1-CB 4.49Å; L112-R230 HydrophobicContact CD2-CB 3.99Å; L112-R230 WeakPolarHBondContact CD2-O 3.32Å; L112-Y231 HydrophobicContact CD2-CD1 4.03Å; L112-Y231 HydrophobicContact CD2-CD2 3.68Å; L112-Y231 HydrophobicContact CD2-CE1 3.98Å; L112-Y231 HydrophobicContact CD2-CE2 3.6Å; L112-Y231 HydrophobicContact CD2-CG 3.88Å; L112-Y231 HydrophobicContact CG-CD2 4.5Å; L112-Y231 HydrophobicContact CG-CE1 4.31Å; L112-Y231 HydrophobicContact CG-CE2 3.93Å; L112-I234 HydrophobicContact CD2-CD1 4.02Å
113M89.8Confident83.2Confident2 Ų256.7 Ų56.71%0.0128%0.284CS..Hα-helixtrans-77-31.9174.3-70.9174.967.300113.4L14 F15 L18 I109 F110 H111 D115 D116 L119 Y216 I220 Y231L14-M113 HydrophobicContact CD2-CE 4.13Å; L14-M113 HydrophobicContact CD2-CG 4.44Å; L14-M113 HydrophobicContact CD2-SD 3.98Å; F15-M113 HydrophobicContact CD1-CE 4.44Å; F15-M113 HydrophobicContact CE1-CB 4.45Å; F15-M113 HydrophobicContact CE1-CE 3.7Å; F15-M113 HydrophobicContact CE1-CG 4.45Å; F15-M113 HydrophobicContact CZ-CB 4.24Å; F15-M113 HydrophobicContact CZ-CE 4.3Å; F15-M113 HydrophobicContact CZ-CG 4.16Å; L18-M113 HydrophobicContact CD1-CE 3.58Å; I109-M113 HydrophobicContact CG2-CG 4.39Å; I109-M113 HydrophobicContact CG2-SD 3.86Å; I109-M113 WeakPolarHBondContact O-CB 3.42Å; I109-M113 VanDerWaalsContact O-CG 3.28Å; I109-M113 WeakPolarHBondContact O-CG 3.31Å; I109-M113 PolarHBondContact O-N 3.18Å; F110-M113 PolarHBondContact O-N 3.38Å; H111-M113 PolarHBondContact O-N 3.34Å; M113-D115 VanDerWaalsContact C-N 3.28Å; M113-D116 PolarHBondContact O-N 3.08Å; M113-L119 WeakPolarHBondContact O-CB 3.32Å; M113-L119 WeakPolarHBondContact O-CD2 3.31Å; M113-Y216 HydrophobicContact CE-CE1 4.46Å; M113-I220 HydrophobicContact CE-CD1 3.86Å; M113-I220 HydrophobicContact CE-CG1 4.39Å; M113-I220 HydrophobicContact SD-CD1 3.85Å; M113-I220 HydrophobicContact SD-CG1 4.36Å; M113-I220 HydrophobicContact SD-CG2 4.22Å; M113-Y231 HydrophobicContact CG-CE1 3.74Å; M113-Y231 WeakPolarHBondContact CG-OH 3.17Å; M113-Y231 HydrophobicContact SD-CE1 4.49Å
114S86.3Confident81.8Confident25 Ų2558 Ų5818%0.17529%0.294CS..Hα-helixtrans-69.5-28.5175.663.60000112.8F110 H111 D116F110-S114 PolarHBondContact O-N 3.49Å; H111-S114 WeakPolarHBondContact CA-OG 3.4Å; H111-S114 PolarHBondContact O-N 2.92Å; H111-S114 VanDerWaalsContact O-N 3.09Å; H111-S114 PolarHBondContact O-OG 2.93Å; S114-D116 VanDerWaalsContact C-N 3.32Å
115D83.4Confident80.6Confident132 Ų13260.7 Ų60.771%0.70631%0.311SS*.THydrogen-bonded Turntrans-87.6-1.9178.3-61.6-4.6000112.5H111 M113H111-D115 PolarHBondContact O-N 3.43Å; H111-D115 VanDerWaalsContact O-N 3.13Å; M113-D115 VanDerWaalsContact C-N 3.28Å
116D82.2Confident80.2Confident9 Ų962.1 Ų62.15%0.04832%0.318CS..SBendtrans-88.5132-174.7-156.2-64.9000112.7S11 F15 M113 S114 F118 L119 R230S11-D116 VanDerWaalsContact CB-OD2 3.27Å; S11-D116 WeakPolarHBondContact CB-OD2 3.27Å; S11-D116 PolarHBondContact OG-OD1 3.3Å; S11-D116 PolarHBondContact OG-OD2 3.03Å; F15-D116 HydrophobicContact CE2-CB 4Å; F15-D116 HydrophobicContact CZ-CB 3.92Å; M113-D116 PolarHBondContact O-N 3.08Å; S114-D116 VanDerWaalsContact C-N 3.32Å; D116-F118 PolarHBondContact O-N 3.12Å; D116-F118 WeakPolarHBondContact OD1-CD2 3.24Å; D116-F118 PolarHBondContact OD1-N 3.31Å; D116-L119 PolarHBondContact O-N 3.01Å; D116-R230 IonicContact OD2-CZ 2.93Å; D116-R230 IonicContact OD2-NH1 2.69Å; D116-R230 IonicContact OD2-NH2 2.98Å; D116-R230 PolarHBondContact OD2-NH2 3.38Å
117K77.1Confident79.9Confident166 Ų16662.1 Ų62.172%0.72232%0.318SS*.THydrogen-bonded Turntrans-54.2-18.9-177.569.5-168.4177.1-1670115.3
118F74.6Confident79.8Confident82 Ų8260.6 Ų60.636%0.3632%0.32SS..THydrogen-bonded Turntrans-88.2-21.3178.5-59-63.9000113.8S11 K12 F15 D116S11-F118 WeakPolarHBondContact OG-CD2 3.42Å; K12-F118 HydrophobicContact CB-CD2 4.25Å; K12-F118 HydrophobicContact CB-CE1 4.16Å; K12-F118 HydrophobicContact CB-CE2 3.63Å; K12-F118 HydrophobicContact CB-CZ 3.57Å; K12-F118 HydrophobicContact CD-CE1 4.43Å; K12-F118 HydrophobicContact CD-CZ 4.42Å; K12-F118 HydrophobicContact CG-CD1 4.34Å; K12-F118 HydrophobicContact CG-CE1 3.88Å; K12-F118 HydrophobicContact CG-CE2 4.24Å; K12-F118 HydrophobicContact CG-CZ 3.81Å; F15-F118 HydrophobicContact CB-CB 4.26Å; F15-F118 HydrophobicContact CD2-CB 3.44Å; F15-F118 VanDerWaalsContact CD2-CB 3.44Å; F15-F118 AromaticContact CD2-CD2 3.83Å; F15-F118 HydrophobicContact CD2-CD2 3.83Å; F15-F118 HydrophobicContact CD2-CG 4.02Å; F15-F118 HydrophobicContact CE2-CB 3.85Å; F15-F118 HydrophobicContact CE2-CD2 4.09Å; F15-F118 HydrophobicContact CE2-CG 4.48Å; F15-F118 HydrophobicContact CG-CB 3.86Å; D116-F118 PolarHBondContact O-N 3.12Å; D116-F118 WeakPolarHBondContact OD1-CD2 3.24Å; D116-F118 PolarHBondContact OD1-N 3.31Å
119L68.5Low79.7Confident38 Ų3864 Ų6420%0.19933%0.331CS..  trans-99.4117.1-180-163.477000110.7F15 M113 D116F15-L119 HydrophobicContact CD1-CB 4.38Å; F15-L119 HydrophobicContact CD1-CD1 4.05Å; F15-L119 HydrophobicContact CE1-CB 3.71Å; F15-L119 HydrophobicContact CE1-CD1 3.82Å; F15-L119 HydrophobicContact CE1-CG 4.21Å; F15-L119 HydrophobicContact CZ-CB 4.08Å; M113-L119 WeakPolarHBondContact O-CB 3.32Å; M113-L119 WeakPolarHBondContact O-CD2 3.31Å; D116-L119 PolarHBondContact O-N 3.01Å
120N53.5Low79.7Confident137 Ų13765 Ų6573%0.73334%0.336SS*.  trans-100.2109172.8-133.8-4.1000109.6K27K27-N120 WeakPolarHBondContact CE-O 3.41Å
121I53.6Low79.8Confident110 Ų11064.7 Ų64.756%0.56433%0.334SS*.  trans85.3104.3174.5-49.3147.4000115.3K27K27-I121 WeakPolarHBondContact CD-O 3.47Å
122T59.4Low80.1Confident35 Ų3566.9 Ų66.922%0.21535%0.345CS..  trans-120.3142.2140.4-53.20000106.5A124 I127T122-A124 PolarHBondContact O-N 2.89Å; T122-I127 HydrophobicContact CG2-CD1 3.93Å; T122-I127 HydrophobicContact CG2-CG1 3.64Å
123N66Low80.4Confident87 Ų8769.1 Ų69.147%0.46535%0.353SS..  trans-75.9105162.2-173.823.6000107.2D125 D126N123-D125 PolarHBondContact O-N 3.22Å; N123-D125 VanDerWaalsContact O-N 3.13Å; N123-D126 HydrophobicContact CB-CB 4.41Å; N123-D126 PolarHBondContact ND2-OD2 2.97Å; N123-D126 PolarHBondContact O-N 3.31Å
124A68.9Low80.8Confident44 Ų4469 Ų6936%0.36435%0.353SS..G310 helixtrans-58.1-30.9-172.100000112.4T122 D126 I127T122-A124 PolarHBondContact O-N 2.89Å; A124-D126 PolarHBondContact O-N 2.89Å; A124-I127 HydrophobicContact CB-CD1 4.42Å; A124-I127 PolarHBondContact O-N 3.44Å
125D72.8Confident81.3Confident136 Ų13668.5 Ų68.573%0.72735%0.348SS*.G310 helixtrans-60-23.7176.1-60.7-14.9000113.5N123N123-D125 PolarHBondContact O-N 3.22Å; N123-D125 VanDerWaalsContact O-N 3.13Å
126D88.3Confident82Confident36 Ų3666.2 Ų66.219%0.19334%0.336CS..G310 helixtrans-97.7-11.1-175.1-68.6-36.6000114.4N123 A124 G128 R129 N130N123-D126 HydrophobicContact CB-CB 4.41Å; N123-D126 PolarHBondContact ND2-OD2 2.97Å; N123-D126 PolarHBondContact O-N 3.31Å; A124-D126 PolarHBondContact O-N 2.89Å; D126-G128 VanDerWaalsContact C-N 3.28Å; D126-G128 PolarHBondContact O-N 2.72Å; D126-R129 PolarHBondContact O-N 3.19Å; D126-R129 IonicContact OD1-CZ 3.23Å; D126-R129 VanDerWaalsContact OD1-CZ 3.23Å; D126-R129 IonicContact OD1-NE 3.69Å; D126-R129 PolarHBondContact OD1-NE 2.93Å; D126-R129 IonicContact OD1-NH2 2.64Å; D126-R129 PolarHBondContact OD1-NH2 2.75Å; D126-R129 IonicContact OD2-NH2 3.97Å; D126-N130 PolarHBondContact O-N 3.33Å
127I92.1Very high82.8Confident0 Ų066.1 Ų66.10%034%0.335CS..Hα-helixtrans-54.9-45.1-178-69.6169.8000111.1L28 F110 H111 T122 A124 R129 N130 V131L28-I127 HydrophobicContact CD2-CB 4.45Å; L28-I127 HydrophobicContact CD2-CG1 4.14Å; L28-I127 HydrophobicContact CD2-CG2 4.49Å; F110-I127 HydrophobicContact CB-CG1 4.49Å; F110-I127 HydrophobicContact CB-CG2 3.67Å; H111-I127 WeakPolarHBondContact ND1-CD1 3.49Å; T122-I127 HydrophobicContact CG2-CD1 3.93Å; T122-I127 HydrophobicContact CG2-CG1 3.64Å; A124-I127 HydrophobicContact CB-CD1 4.42Å; A124-I127 PolarHBondContact O-N 3.44Å; I127-R129 VanDerWaalsContact C-N 3.32Å; I127-R129 PolarHBondContact O-N 2.65Å; I127-N130 PolarHBondContact O-N 3.03Å; I127-V131 HydrophobicContact CG2-CG2 4.31Å; I127-V131 WeakPolarHBondContact O-CB 3.16Å; I127-V131 VanDerWaalsContact O-CG2 3.28Å; I127-V131 WeakPolarHBondContact O-CG2 3.47Å; I127-V131 PolarHBondContact O-N 2.98Å
128G93.2Very high83.8Confident30 Ų3058.2 Ų58.231%0.30930%0.301SS..Hα-helixtrans-60.2-39.8178.500000113.3D126 E132D126-G128 VanDerWaalsContact C-N 3.28Å; D126-G128 PolarHBondContact O-N 2.72Å; G128-E132 WeakPolarHBondContact O-CB 3.47Å; G128-E132 PolarHBondContact O-N 3.36Å; G128-E132 VanDerWaalsContact O-N 3.08Å
129R94.2Very high85Confident160 Ų16055.2 Ų55.260%0.60429%0.288SS*.Hα-helixtrans-72.5-42.9-178.3-54.8-162.5-69.2154.4-6.5111.6D126 I127 E132 K133D126-R129 PolarHBondContact O-N 3.19Å; D126-R129 IonicContact OD1-CZ 3.23Å; D126-R129 VanDerWaalsContact OD1-CZ 3.23Å; D126-R129 IonicContact OD1-NE 3.69Å; D126-R129 PolarHBondContact OD1-NE 2.93Å; D126-R129 IonicContact OD1-NH2 2.64Å; D126-R129 PolarHBondContact OD1-NH2 2.75Å; D126-R129 IonicContact OD2-NH2 3.97Å; I127-R129 VanDerWaalsContact C-N 3.32Å; I127-R129 PolarHBondContact O-N 2.65Å; R129-E132 PolarHBondContact O-N 2.81Å; R129-K133 PolarHBondContact O-N 3.2Å; R129-K133 VanDerWaalsContact O-N 3.08Å
130N94.1Very high86.4Confident21 Ų2154.2 Ų54.211%0.11229%0.286CS..Hα-helixtrans-72.4-36.8-179.8-62.4-20.7000111.5L28 G29 D126 I127 K133 I134L28-N130 HydrophobicContact CD1-CB 3.86Å; L28-N130 HydrophobicContact CD2-CB 3.92Å; L28-N130 HydrophobicContact CG-CB 3.61Å; L28-N130 PolarHBondContact O-ND2 3.26Å; G29-N130 WeakPolarHBondContact CA-ND2 3.39Å; D126-N130 PolarHBondContact O-N 3.33Å; I127-N130 PolarHBondContact O-N 3.03Å; N130-K133 WeakPolarHBondContact O-CB 3.33Å; N130-K133 PolarHBondContact O-N 3.48Å; N130-I134 WeakPolarHBondContact O-CG1 3.17Å; N130-I134 PolarHBondContact O-N 2.72Å
131V96.2Very high88.5Confident0 Ų047.7 Ų47.70%025%0.251CS..Hα-helixtrans-62.8-41.7170.4172.40000111.7A106 K107 F110 I127 K133 I134 I135A106-V131 HydrophobicContact CB-CG1 3.68Å; A106-V131 HydrophobicContact CB-CG2 4.14Å; K107-V131 HydrophobicContact CG-CB 4.05Å; K107-V131 HydrophobicContact CG-CG1 3.87Å; K107-V131 HydrophobicContact CG-CG2 4.15Å; F110-V131 HydrophobicContact CD2-CG2 3.56Å; F110-V131 HydrophobicContact CE2-CG2 4.08Å; I127-V131 HydrophobicContact CG2-CG2 4.31Å; I127-V131 WeakPolarHBondContact O-CB 3.16Å; I127-V131 VanDerWaalsContact O-CG2 3.28Å; I127-V131 WeakPolarHBondContact O-CG2 3.47Å; I127-V131 PolarHBondContact O-N 2.98Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 3.12Å; V131-I134 PolarHBondContact O-N 3.09Å; V131-I135 HydrophobicContact CG1-CG1 4.07Å; V131-I135 VanDerWaalsContact O-CG1 3.27Å; V131-I135 WeakPolarHBondContact O-CG1 3.35Å; V131-I135 PolarHBondContact O-N 3.19Å
132E96.9Very high90.6Very high123 Ų12342.5 Ų42.558%0.57522%0.224SC*.Hα-helixtrans-59-42.9175179.6172.6-169.900111.9G128 R129 I135 N136G128-E132 WeakPolarHBondContact O-CB 3.47Å; G128-E132 PolarHBondContact O-N 3.36Å; G128-E132 VanDerWaalsContact O-N 3.08Å; R129-E132 PolarHBondContact O-N 2.81Å; E132-I135 PolarHBondContact O-N 2.99Å; E132-N136 WeakPolarHBondContact CG-ND2 3.34Å; E132-N136 VanDerWaalsContact O-CB 3.28Å; E132-N136 WeakPolarHBondContact O-CB 3.47Å; E132-N136 VanDerWaalsContact O-CG 3.26Å; E132-N136 PolarHBondContact O-N 3.28Å; E132-N136 PolarHBondContact O-ND2 2.92Å
133K97.3Very high92.4Very high78 Ų7849 Ų4934%0.33925%0.245SC..Hα-helixtrans-57.9-50.9172.3-75.8174.2155.7-1320112.6R129 N130 V131 I135 N136 F137 D207 T210R129-K133 PolarHBondContact O-N 3.2Å; R129-K133 VanDerWaalsContact O-N 3.08Å; N130-K133 WeakPolarHBondContact O-CB 3.33Å; N130-K133 PolarHBondContact O-N 3.48Å; V131-K133 VanDerWaalsContact C-N 3.32Å; V131-K133 PolarHBondContact O-N 3.12Å; K133-I135 VanDerWaalsContact C-N 3.34Å; K133-I135 PolarHBondContact O-N 3.28Å; K133-N136 PolarHBondContact O-N 2.85Å; K133-F137 PolarHBondContact O-N 3.25Å; K133-D207 VanDerWaalsContact NZ-CG 3.32Å; K133-D207 IonicContact NZ-OD1 3.03Å; K133-D207 PolarHBondContact NZ-OD1 2.86Å; K133-D207 IonicContact NZ-OD2 3.87Å; K133-D207 PolarHBondContact NZ-OD2 3.2Å; K133-T210 HydrophobicContact CB-CG2 3.91Å; K133-T210 WeakPolarHBondContact CD-OG1 3.48Å; K133-T210 PolarHBondContact NZ-OG1 3.23Å
134I97.6Very high93.9Very high0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-53.4-50.9177.6-69.7161.3000110.9L28 F110 N130 V131 F137 E138 D213 Y214 W217L28-I134 HydrophobicContact CD1-CD1 3.69Å; F110-I134 HydrophobicContact CE2-CD1 3.88Å; F110-I134 HydrophobicContact CZ-CD1 4.2Å; N130-I134 WeakPolarHBondContact O-CG1 3.17Å; N130-I134 PolarHBondContact O-N 2.72Å; V131-I134 PolarHBondContact O-N 3.09Å; I134-F137 PolarHBondContact O-N 3.15Å; I134-E138 PolarHBondContact O-N 3.11Å; I134-D213 HydrophobicContact CD1-CB 3.94Å; I134-D213 HydrophobicContact CG1-CB 3.71Å; I134-Y214 HydrophobicContact CG2-CD2 4.21Å; I134-W217 HydrophobicContact CD1-CB 4.21Å; I134-W217 HydrophobicContact CG2-CB 4.08Å; I134-W217 HydrophobicContact CG2-CG 4.01Å
135I98.1Very high95.2Very high14 Ų1444.3 Ų44.37%0.07221%0.213CC..Hα-helixtrans-68.8-38.6-176.1-61.5-64.1000111Y102 A103 V131 E132 K133 E138 I139Y102-I135 HydrophobicContact CD1-CD1 3.51Å; Y102-I135 HydrophobicContact CE1-CD1 3.4Å; Y102-I135 HydrophobicContact CG-CD1 4.42Å; A103-I135 HydrophobicContact CB-CD1 4.45Å; A103-I135 HydrophobicContact CB-CG1 4.02Å; V131-I135 HydrophobicContact CG1-CG1 4.07Å; V131-I135 VanDerWaalsContact O-CG1 3.27Å; V131-I135 WeakPolarHBondContact O-CG1 3.35Å; V131-I135 PolarHBondContact O-N 3.19Å; E132-I135 PolarHBondContact O-N 2.99Å; K133-I135 VanDerWaalsContact C-N 3.34Å; K133-I135 PolarHBondContact O-N 3.28Å; I135-E138 PolarHBondContact O-N 2.88Å; I135-I139 HydrophobicContact CG2-CD1 3.97Å; I135-I139 VanDerWaalsContact O-CG1 3.27Å; I135-I139 WeakPolarHBondContact O-CG1 3.29Å; I135-I139 PolarHBondContact O-N 2.86Å
136N98.2Very high96.2Very high85 Ų8538.9 Ų38.946%0.45519%0.185SC..Hα-helixtrans-65.8-38.8175.9-77.4-30.6000112.5E132 K133 I139 A140E132-N136 WeakPolarHBondContact CG-ND2 3.34Å; E132-N136 VanDerWaalsContact O-CB 3.28Å; E132-N136 WeakPolarHBondContact O-CB 3.47Å; E132-N136 VanDerWaalsContact O-CG 3.26Å; E132-N136 PolarHBondContact O-N 3.28Å; E132-N136 PolarHBondContact O-ND2 2.92Å; K133-N136 PolarHBondContact O-N 2.85Å; N136-I139 PolarHBondContact O-N 2.81Å; N136-A140 PolarHBondContact O-N 2.97Å
137F98.6Very high96.3Very high7 Ų739.4 Ų39.43%0.03119%0.191CC..Hα-helixtrans-64-41.9173.1179.9-110.5000111.8I54 K133 I134 A140 L141 L202 L203 T206 T210 I211 Y214I54-F137 HydrophobicContact CG2-CE1 4.06Å; I54-F137 HydrophobicContact CG2-CZ 4.25Å; K133-F137 PolarHBondContact O-N 3.25Å; I134-F137 PolarHBondContact O-N 3.15Å; F137-A140 WeakPolarHBondContact O-CA 3.47Å; F137-A140 WeakPolarHBondContact O-CB 3.48Å; F137-A140 PolarHBondContact O-N 3.39Å; F137-A140 VanDerWaalsContact O-N 3.08Å; F137-L141 HydrophobicContact CD1-CD1 4.09Å; F137-L141 HydrophobicContact CE1-CD1 3.76Å; F137-L141 HydrophobicContact CE1-CG 4.25Å; F137-L141 HydrophobicContact CZ-CD1 4.33Å; F137-L141 HydrophobicContact CZ-CD2 4.37Å; F137-L141 HydrophobicContact CZ-CG 4.39Å; F137-L141 PolarHBondContact O-N 3.23Å; F137-L202 HydrophobicContact CD2-CD1 4.34Å; F137-L202 HydrophobicContact CD2-CG 4.38Å; F137-L202 HydrophobicContact CE2-CD1 4.34Å; F137-L202 HydrophobicContact CE2-CD2 4.16Å; F137-L202 HydrophobicContact CE2-CG 3.93Å; F137-L203 HydrophobicContact CE2-CD2 4.42Å; F137-L203 HydrophobicContact CZ-CD2 4Å; F137-T206 HydrophobicContact CD2-CG2 3.55Å; F137-T206 WeakPolarHBondContact CD2-OG1 3.5Å; F137-T206 HydrophobicContact CE2-CG2 3.87Å; F137-T206 HydrophobicContact CG-CG2 4.32Å; F137-T210 HydrophobicContact CB-CG2 3.78Å; F137-T210 HydrophobicContact CG-CG2 4.27Å; F137-I211 HydrophobicContact CE2-CG1 4.18Å; F137-I211 HydrophobicContact CZ-CG1 4.07Å; F137-Y214 AromaticContact CD1-CD1 3.84Å; F137-Y214 HydrophobicContact CD1-CD1 3.84Å; F137-Y214 HydrophobicContact CD1-CD2 4.09Å; F137-Y214 HydrophobicContact CD1-CE1 4.46Å; F137-Y214 AromaticContact CD1-CG 3.62Å; F137-Y214 HydrophobicContact CD1-CG 3.62Å; F137-Y214 AromaticContact CE1-CD1 3.58Å; F137-Y214 HydrophobicContact CE1-CD1 3.58Å; F137-Y214 HydrophobicContact CE1-CE1 4.09Å; F137-Y214 AromaticContact CE1-CG 3.88Å; F137-Y214 HydrophobicContact CE1-CG 3.88Å
138E98.4Very high96Very high0 Ų041.1 Ų41.10%021%0.205CC..Hα-helixtrans-68.2-35.7176.6-169.6163.3-145.400113.1L78 G79 Y88 Y102 I134 I135 A140 L141 A142 Y214 R218L78-E138 WeakPolarHBondContact CA-OE1 3.33Å; L78-E138 HydrophobicContact CD2-CG 4.07Å; G79-E138 WeakPolarHBondContact CA-OE1 3.48Å; G79-E138 PolarHBondContact N-OE1 2.99Å; Y88-E138 HydrophobicContact CD1-CG 4.33Å; Y88-E138 HydrophobicContact CE1-CB 4.37Å; Y88-E138 HydrophobicContact CE1-CG 3.64Å; Y88-E138 PolarHBondContact OH-OE1 3.48Å; Y102-E138 WeakPolarHBondContact CE1-OE2 3.49Å; Y102-E138 VanDerWaalsContact CZ-OE2 3.27Å; Y102-E138 PolarHBondContact OH-OE2 2.99Å; I134-E138 PolarHBondContact O-N 3.11Å; I135-E138 PolarHBondContact O-N 2.88Å; E138-A140 VanDerWaalsContact C-N 3.26Å; E138-A140 PolarHBondContact O-N 2.99Å; E138-L141 PolarHBondContact O-N 3.32Å; E138-A142 WeakPolarHBondContact O-CB 3.39Å; E138-A142 PolarHBondContact O-N 3.1Å; E138-Y214 HydrophobicContact CB-CD2 4.21Å; E138-Y214 HydrophobicContact CB-CE2 3.8Å; E138-Y214 HydrophobicContact CG-CE2 3.84Å; E138-R218 IonicContact OE1-NE 2.65Å
139I98.2Very high95.7Very high18 Ų1844.1 Ų44.19%0.09221%0.213CC..Hα-helixtrans-61.9-36.6169.2-69.2165.3000110.6Y88 I135 N136 A142 R143Y88-I139 HydrophobicContact CD1-CG1 3.92Å; I135-I139 HydrophobicContact CG2-CD1 3.97Å; I135-I139 VanDerWaalsContact O-CG1 3.27Å; I135-I139 WeakPolarHBondContact O-CG1 3.29Å; I135-I139 PolarHBondContact O-N 2.86Å; N136-I139 PolarHBondContact O-N 2.81Å; I139-A142 PolarHBondContact O-N 3.03Å; I139-R143 WeakPolarHBondContact O-CG 3.34Å; I139-R143 PolarHBondContact O-N 3.24Å; I139-R143 VanDerWaalsContact O-N 3.08Å
140A98.4Very high95.4Very high18 Ų1843.3 Ų43.315%0.14922%0.215CC..Hα-helixtrans-68.4-40.3175.500000112.4N136 F137 E138 R143 I144 L202N136-A140 PolarHBondContact O-N 2.97Å; F137-A140 WeakPolarHBondContact O-CA 3.47Å; F137-A140 WeakPolarHBondContact O-CB 3.48Å; F137-A140 PolarHBondContact O-N 3.39Å; F137-A140 VanDerWaalsContact O-N 3.08Å; E138-A140 VanDerWaalsContact C-N 3.26Å; E138-A140 PolarHBondContact O-N 2.99Å; A140-R143 WeakPolarHBondContact O-CB 3.23Å; A140-R143 PolarHBondContact O-N 2.79Å; A140-I144 PolarHBondContact O-N 3.22Å; A140-L202 HydrophobicContact CB-CD1 3.57Å; A140-L202 HydrophobicContact CB-CD2 3.87Å; A140-L202 HydrophobicContact CB-CG 4.39Å
141L98Very high95.2Very high0 Ų045.1 Ų45.10%022%0.22CC..Hα-helixtrans-57.6-47.6169.7-68.9169.7000111.1I54 A76 L78 F137 E138 R143 I144 N145 L202 Y214I54-L141 HydrophobicContact CB-CD2 4.43Å; I54-L141 HydrophobicContact CG2-CD1 3.95Å; I54-L141 HydrophobicContact CG2-CD2 4.17Å; A76-L141 HydrophobicContact CB-CB 4.36Å; A76-L141 HydrophobicContact CB-CD2 4.38Å; L78-L141 HydrophobicContact CD2-CB 4.03Å; F137-L141 HydrophobicContact CD1-CD1 4.09Å; F137-L141 HydrophobicContact CE1-CD1 3.76Å; F137-L141 HydrophobicContact CE1-CG 4.25Å; F137-L141 HydrophobicContact CZ-CD1 4.33Å; F137-L141 HydrophobicContact CZ-CD2 4.37Å; F137-L141 HydrophobicContact CZ-CG 4.39Å; F137-L141 PolarHBondContact O-N 3.23Å; E138-L141 PolarHBondContact O-N 3.32Å; L141-R143 PolarHBondContact O-N 2.83Å; L141-I144 HydrophobicContact CD2-CD1 4.46Å; L141-I144 WeakPolarHBondContact O-CG1 3.29Å; L141-I144 PolarHBondContact O-N 3Å; L141-N145 PolarHBondContact O-N 3.45Å; L141-L202 HydrophobicContact CD2-CD2 3.84Å; L141-L202 HydrophobicContact CG-CD2 4.14Å; L141-Y214 HydrophobicContact CD1-CD1 4.48Å; L141-Y214 HydrophobicContact CD1-CE1 3.71Å; L141-Y214 HydrophobicContact CD1-CE2 4.21Å
142A97.6Very high94.8Very high1 Ų154.6 Ų54.61%0.00826%0.256CS..Hα-helixtrans-60.5-30.7178.200000113.5L78 Y88 L89 E138 I139L78-A142 HydrophobicContact CD1-CB 3.66Å; L78-A142 HydrophobicContact CD2-CB 4.37Å; Y88-A142 HydrophobicContact CD1-CB 4.48Å; Y88-A142 HydrophobicContact CD2-CB 4.02Å; Y88-A142 HydrophobicContact CG-CB 3.76Å; L89-A142 HydrophobicContact CD2-CB 4.35Å; E138-A142 WeakPolarHBondContact O-CB 3.39Å; E138-A142 PolarHBondContact O-N 3.1Å; I139-A142 PolarHBondContact O-N 3.03Å
143R97.6Very high94.5Very high171 Ų17151 Ų5165%0.64524%0.24SC*.Hα-helixtrans-71.2-27.9174.8-73.4173.9-172.91453.9113.6L89 I139 A140 L141L89-R143 HydrophobicContact CD2-CB 4.4Å; L89-R143 HydrophobicContact CD2-CG 3.41Å; L89-R143 VanDerWaalsContact CD2-CG 3.41Å; I139-R143 WeakPolarHBondContact O-CG 3.34Å; I139-R143 PolarHBondContact O-N 3.24Å; I139-R143 VanDerWaalsContact O-N 3.08Å; A140-R143 WeakPolarHBondContact O-CB 3.23Å; A140-R143 PolarHBondContact O-N 2.79Å; L141-R143 PolarHBondContact O-N 2.83Å
144I97.2Very high94Very high24 Ų2451 Ų5112%0.12325%0.248CC..Hα-helixtrans-96.8-19.7-176.964.8159.8000113A140 L141 Y195 K198 M199 L202A140-I144 PolarHBondContact O-N 3.22Å; L141-I144 HydrophobicContact CD2-CD1 4.46Å; L141-I144 WeakPolarHBondContact O-CG1 3.29Å; L141-I144 PolarHBondContact O-N 3Å; I144-Y195 HydrophobicContact CD1-CD2 4.05Å; I144-Y195 HydrophobicContact CD1-CE2 3.59Å; I144-Y195 HydrophobicContact CG1-CD2 4.02Å; I144-Y195 HydrophobicContact CG1-CE2 3.7Å; I144-K198 HydrophobicContact CB-CB 3.75Å; I144-K198 HydrophobicContact CB-CD 3.9Å; I144-K198 HydrophobicContact CB-CG 4.46Å; I144-K198 HydrophobicContact CD1-CB 4.09Å; I144-K198 HydrophobicContact CG2-CB 3.75Å; I144-K198 HydrophobicContact CG2-CD 4.04Å; I144-K198 HydrophobicContact CG2-CG 4.38Å; I144-M199 HydrophobicContact CD1-CB 4.03Å; I144-L202 HydrophobicContact CD1-CD2 3.93Å; I144-L202 HydrophobicContact CG1-CD2 4.43Å
145N96.8Very high93.6Very high8 Ų855.8 Ų55.84%0.04328%0.277CS..SBendtrans-55.2141.5166.3-88.918.3000111.3Q75 A76 E85 L141 P147 Y195Q75-N145 PolarHBondContact NE2-ND2 3.44Å; A76-N145 PolarHBondContact N-OD1 3.04Å; A76-N145 PolarHBondContact O-ND2 3.31Å; E85-N145 HydrophobicContact CG-CB 3.97Å; E85-N145 PolarHBondContact OE1-ND2 2.86Å; L141-N145 PolarHBondContact O-N 3.45Å; N145-P147 WeakPolarHBondContact O-CD 3.26Å; N145-Y195 WeakPolarHBondContact OD1-CE2 3.19Å
146T94.1Very high93.3Very high23 Ų2361.5 Ų61.514%0.14130%0.302CS..PPolyproline II helixtrans-76.3124.2166.4-630000109Q75 K150 R151 E192Q75-T146 PolarHBondContact NE2-O 3.15Å; Q75-T146 PolarHBondContact OE1-O 2.9Å; T146-K150 HydrophobicContact CG2-CB 3.92Å; T146-R151 HydrophobicContact CG2-CG 3.7Å; T146-R151 WeakPolarHBondContact O-CD 3.37Å; T146-E192 VanDerWaalsContact CB-CD 3.43Å; T146-E192 VanDerWaalsContact CB-OE1 3.25Å; T146-E192 WeakPolarHBondContact CB-OE1 3.45Å; T146-E192 WeakPolarHBondContact CB-OE2 3.41Å; T146-E192 PolarHBondContact OG1-OE2 3.16Å
147P88.7Confident93Very high47 Ų4758.8 Ų58.831%0.30529%0.287SS..PPolyproline II helixtrans-59.2144.2179.1-3038.4000114.1N145 D149 K150N145-P147 WeakPolarHBondContact O-CD 3.26Å; P147-D149 VanDerWaalsContact CB-OD1 3.23Å; P147-D149 WeakPolarHBondContact CB-OD1 3.46Å; P147-D149 PolarHBondContact O-N 2.72Å; P147-D149 VanDerWaalsContact O-N 3.1Å; P147-K150 WeakPolarHBondContact O-CB 3.25Å; P147-K150 PolarHBondContact O-N 2.75Å
148A86.7Confident92.8Very high36 Ų3659.4 Ų59.430%0.29829%0.289SS..THydrogen-bonded Turntrans-62-21.3-171.400000115.5K83K83-A148 HydrophobicContact CB-CB 3.93Å; K83-A148 HydrophobicContact CD-CB 4.03Å; K83-A148 HydrophobicContact CG-CB 3.65Å
149D86.3Confident92.7Very high92 Ų9262 Ų6249%0.49230%0.303SS..THydrogen-bonded Turntrans-73.6-27.6173.966.7-48000112.9P147 R152P147-D149 VanDerWaalsContact CB-OD1 3.23Å; P147-D149 WeakPolarHBondContact CB-OD1 3.46Å; P147-D149 PolarHBondContact O-N 2.72Å; P147-D149 VanDerWaalsContact O-N 3.1Å; D149-R152 WeakPolarHBondContact O-CD 3.48Å; D149-R152 WeakPolarHBondContact O-CG 3.3Å; D149-R152 PolarHBondContact O-NE 3.13Å
150K87.9Confident92.6Very high144 Ų14465 Ų6563%0.62632%0.315SS*.THydrogen-bonded Turntrans-82.2-17.3176.7-59.8-174.2-176.6177.10113.3T146 P147 R152T146-K150 HydrophobicContact CG2-CB 3.92Å; P147-K150 WeakPolarHBondContact O-CB 3.25Å; P147-K150 PolarHBondContact O-N 2.75Å; K150-R152 VanDerWaalsContact C-N 3.28Å; K150-R152 PolarHBondContact O-N 3.28Å
151R90.9Very high92.4Very high59 Ų5965.6 Ų65.622%0.22332%0.315CS..  trans-89.231-175.1-66.3175.346.2102.3-4.7114.4D74 T146 M157 E192D74-R151 IonicContact OD1-CZ 2.83Å; D74-R151 VanDerWaalsContact OD1-CZ 3.31Å; D74-R151 IonicContact OD1-NH1 3.76Å; D74-R151 PolarHBondContact OD1-NH1 2.83Å; D74-R151 IonicContact OD1-NH2 3.09Å; D74-R151 PolarHBondContact OD1-NH2 3.2Å; D74-R151 IonicContact OD2-CZ 2.75Å; D74-R151 IonicContact OD2-NH1 3.75Å; D74-R151 IonicContact OD2-NH2 2.68Å; D74-R151 PolarHBondContact OD2-NH2 2.9Å; T146-R151 HydrophobicContact CG2-CG 3.7Å; T146-R151 WeakPolarHBondContact O-CD 3.37Å; R151-M157 HydrophobicContact CB-SD 4.01Å; R151-M157 HydrophobicContact CG-CE 4.44Å; R151-M157 HydrophobicContact CG-SD 4.08Å; R151-E192 WeakPolarHBondContact CD-OE1 3.22Å; R151-E192 VanDerWaalsContact CG-OE1 3.28Å; R151-E192 WeakPolarHBondContact CG-OE1 3.44Å; R151-E192 IonicContact CZ-OE1 2.65Å; R151-E192 IonicContact NE-OE1 2.66Å; R151-E192 IonicContact NH1-OE1 3.95Å; R151-E192 PolarHBondContact NH1-OE1 3.33Å
152R88.3Confident92.3Very high199 Ų19967.5 Ų67.575%0.75133%0.327SS*.  trans-97.3-5.1-173.4-65.1179.7-176.9179.64.9114.6D149 K150 P154D149-R152 WeakPolarHBondContact O-CD 3.48Å; D149-R152 WeakPolarHBondContact O-CG 3.3Å; D149-R152 PolarHBondContact O-NE 3.13Å; K150-R152 VanDerWaalsContact C-N 3.28Å; K150-R152 PolarHBondContact O-N 3.28Å; R152-P154 WeakPolarHBondContact O-CD 3.19Å
153D89.7Confident92.1Very high48 Ų4868.8 Ų68.826%0.25733%0.333SS..  trans-105.797.9-177.4-176.7-13.8000109.8T155 K156 M157D153-T155 PolarHBondContact O-N 3.05Å; D153-T155 VanDerWaalsContact O-N 3.14Å; D153-T155 WeakPolarHBondContact OD1-CB 3.44Å; D153-T155 PolarHBondContact OD1-N 3.2Å; D153-T155 VanDerWaalsContact OD1-N 3.13Å; D153-T155 PolarHBondContact OD1-OG1 2.89Å; D153-K156 HydrophobicContact CB-CB 4.42Å; D153-K156 HydrophobicContact CB-CD 4.15Å; D153-K156 HydrophobicContact CB-CG 4.31Å; D153-K156 PolarHBondContact O-N 3.42Å; D153-K156 VanDerWaalsContact O-N 3.08Å; D153-K156 WeakPolarHBondContact OD2-CD 3.34Å; D153-K156 VanDerWaalsContact OD2-CE 3.25Å; D153-K156 WeakPolarHBondContact OD2-CE 3.15Å; D153-K156 IonicContact OD2-NZ 2.63Å; D153-K156 PolarHBondContact OD2-NZ 2.91Å; D153-M157 WeakPolarHBondContact O-CG 3.1Å; D153-M157 PolarHBondContact O-N 3.09Å
154P86.3Confident91.9Very high76 Ų7664.7 Ų64.749%0.49433%0.331SS..Hα-helixtrans-60.3-28-175.925.1-34.1000112.2R152 K156 M157 Y158R152-P154 WeakPolarHBondContact O-CD 3.19Å; P154-K156 PolarHBondContact O-N 3.24Å; P154-M157 CarbonylContact O-C 3.43Å; P154-M157 PolarHBondContact O-N 3.44Å; P154-M157 VanDerWaalsContact O-N 3.09Å; P154-Y158 PolarHBondContact O-N 3.39Å; P154-Y158 VanDerWaalsContact O-N 3.1Å
155T89.8Confident91.8Very high101 Ų10168.8 Ų68.862%0.6235%0.349SS*.Hα-helixtrans-66.5-25.7179.872.50000113.3D153D153-T155 PolarHBondContact O-N 3.05Å; D153-T155 VanDerWaalsContact O-N 3.14Å; D153-T155 WeakPolarHBondContact OD1-CB 3.44Å; D153-T155 PolarHBondContact OD1-N 3.2Å; D153-T155 VanDerWaalsContact OD1-N 3.13Å; D153-T155 PolarHBondContact OD1-OG1 2.89Å
156K90.9Very high91.7Very high135 Ų13568.4 Ų68.459%0.58735%0.347SS*.Hα-helixtrans-86.8-24.7173.5-66.4179.5-179123.70113.1D153 P154 Y158 N159D153-K156 HydrophobicContact CB-CB 4.42Å; D153-K156 HydrophobicContact CB-CD 4.15Å; D153-K156 HydrophobicContact CB-CG 4.31Å; D153-K156 PolarHBondContact O-N 3.42Å; D153-K156 VanDerWaalsContact O-N 3.08Å; D153-K156 WeakPolarHBondContact OD2-CD 3.34Å; D153-K156 VanDerWaalsContact OD2-CE 3.25Å; D153-K156 WeakPolarHBondContact OD2-CE 3.15Å; D153-K156 IonicContact OD2-NZ 2.63Å; D153-K156 PolarHBondContact OD2-NZ 2.91Å; P154-K156 PolarHBondContact O-N 3.24Å; K156-Y158 VanDerWaalsContact C-N 3.26Å; K156-N159 PolarHBondContact O-ND2 3.23Å
157M92.2Very high91.5Very high28 Ų2871.1 Ų71.114%0.13836%0.359CS..Hα-helixtrans-80.9-7.6176.2-58.2-65.299.800112.3R151 D153 P154 N189 V191R151-M157 HydrophobicContact CB-SD 4.01Å; R151-M157 HydrophobicContact CG-CE 4.44Å; R151-M157 HydrophobicContact CG-SD 4.08Å; D153-M157 WeakPolarHBondContact O-CG 3.1Å; D153-M157 PolarHBondContact O-N 3.09Å; P154-M157 CarbonylContact O-C 3.43Å; P154-M157 PolarHBondContact O-N 3.44Å; P154-M157 VanDerWaalsContact O-N 3.09Å; M157-N189 PolarHBondContact O-ND2 2.81Å; M157-N189 PolarHBondContact O-OD1 2.89Å; M157-V191 HydrophobicContact CB-CG1 3.99Å; M157-V191 HydrophobicContact CG-CG1 4.27Å; M157-V191 HydrophobicContact SD-CG1 3.55Å; M157-V191 VanDerWaalsContact SD-CG1 3.55Å
158Y95.2Very high91.7Very high19 Ų1973 Ų738%0.07538%0.378CS..  trans-101.196175.2-171.3-81.7000110.9D62 E63 R64 P154 K156 K160 N189D62-Y158 PolarHBondContact OD1-OH 3.43Å; E63-Y158 HydrophobicContact CB-CD2 3.84Å; E63-Y158 HydrophobicContact CB-CE2 3.98Å; E63-Y158 HydrophobicContact CG-CD2 4.12Å; R64-Y158 VanDerWaalsContact CD-CE1 3.42Å; R64-Y158 HydrophobicContact CG-CD1 4.39Å; R64-Y158 HydrophobicContact CG-CE1 3.82Å; R64-Y158 HydrophobicContact CG-CE2 4.04Å; R64-Y158 VanDerWaalsContact NE-CD1 3.29Å; P154-Y158 PolarHBondContact O-N 3.39Å; P154-Y158 VanDerWaalsContact O-N 3.1Å; K156-Y158 VanDerWaalsContact C-N 3.26Å; Y158-K160 HydrophobicContact CD1-CB 4.43Å; Y158-K160 HydrophobicContact CE1-CB 3.57Å; Y158-K160 WeakPolarHBondContact OH-CD 3.46Å; Y158-N189 WeakPolarHBondContact CA-OD1 3.38Å
159N95.5Very high91.9Very high54 Ų5473.2 Ų73.229%0.28938%0.376SS..  trans-12374.1171.8-45.2-88.5000109K156 M161 N189 L190 V191 P193K156-N159 PolarHBondContact O-ND2 3.23Å; N159-M161 PolarHBondContact O-N 3.26Å; N159-N189 PolarHBondContact N-OD1 3.04Å; N159-L190 VanDerWaalsContact CB-O 3.24Å; N159-L190 WeakPolarHBondContact CB-O 3.28Å; N159-L190 PolarHBondContact ND2-O 3.39Å; N159-L190 PolarHBondContact O-N 3.03Å; N159-V191 PolarHBondContact ND2-O 3.35Å; N159-P193 HydrophobicContact CB-CG 3.96Å
160K96.1Very high91.7Very high83 Ų8370 Ų7036%0.36136%0.364SS..EExtended strand (participates in β ladder)trans-66.4126.9174.6-179.8168.9-178172.10110.8D62 I70 Y158 Y187 V188D62-K160 IonicContact OD2-NZ 2.66Å; D62-K160 PolarHBondContact OD2-NZ 2.61Å; I70-K160 HydrophobicContact CD1-CD 3.77Å; I70-K160 HydrophobicContact CD1-CG 3.89Å; Y158-K160 HydrophobicContact CD1-CB 4.43Å; Y158-K160 HydrophobicContact CE1-CB 3.57Å; Y158-K160 WeakPolarHBondContact OH-CD 3.46Å; K160-Y187 HydrophobicContact CG-CD1 4.3Å; K160-V188 CarbonylContact C-O 3.51Å; K160-V188 VanDerWaalsContact CA-O 3.29Å; K160-V188 WeakPolarHBondContact CA-O 3.35Å
161M95.5Very high91.5Very high29 Ų2970.6 Ų70.614%0.14337%0.374CS..EExtended strand (participates in β ladder)trans-143.2157.3179.463.2-177.161.800111.2N159 E165 L166 Y187 V188 L190N159-M161 PolarHBondContact O-N 3.26Å; M161-E165 HydrophobicContact CB-CB 3.98Å; M161-L166 HydrophobicContact CG-CB 4.41Å; M161-L166 HydrophobicContact SD-CB 3.99Å; M161-L166 HydrophobicContact SD-CD1 3.81Å; M161-Y187 VanDerWaalsContact O-CA 3.29Å; M161-Y187 WeakPolarHBondContact O-CA 3.29Å; M161-V188 HydrophobicContact CG-CG2 3.7Å; M161-V188 PolarHBondContact N-O 2.95Å; M161-V188 PolarHBondContact O-N 2.93Å; M161-V188 HydrophobicContact SD-CG2 4.49Å; M161-L190 HydrophobicContact CE-CB 3.8Å; M161-L190 HydrophobicContact CE-CD2 3.8Å; M161-L190 HydrophobicContact CE-CG 4.44Å; M161-L190 HydrophobicContact SD-CB 4.2Å; M161-L190 HydrophobicContact SD-CD2 4.1Å
162T95.3Very high91.6Very high40 Ų4070.9 Ų70.925%0.24538%0.377CS..EExtended strand (participates in β ladder)trans-70.6161.4171.361.70000111.2S164 E165 L166 D186 Y187T162-S164 PolarHBondContact O-N 3.04Å; T162-E165 WeakPolarHBondContact CB-OE2 3.3Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.35Å; T162-E165 PolarHBondContact N-OE2 3.43Å; T162-E165 PolarHBondContact O-N 2.91Å; T162-E165 WeakPolarHBondContact OG1-CG 3.49Å; T162-E165 PolarHBondContact OG1-N 3.01Å; T162-E165 VanDerWaalsContact OG1-N 3.16Å; T162-E165 PolarHBondContact OG1-OE2 3.16Å; T162-L166 PolarHBondContact O-N 3.22Å; T162-D186 WeakPolarHBondContact CA-O 3.49Å; T162-Y187 HydrophobicContact CG2-CD1 4.06Å; T162-Y187 HydrophobicContact CG2-CE1 3.69Å
163I92.7Very high91.8Very high29 Ų2961.4 Ų61.415%0.14934%0.341CS..Hα-helixtrans-60.5-30.9172.8-54.4-43.4000112.3L166 Q167 L179 A185 D186 V188I163-L166 PolarHBondContact O-N 3.04Å; I163-Q167 HydrophobicContact CG2-CG 4.49Å; I163-Q167 WeakPolarHBondContact O-CB 3.37Å; I163-Q167 VanDerWaalsContact O-CG 3.27Å; I163-Q167 WeakPolarHBondContact O-CG 3.43Å; I163-Q167 PolarHBondContact O-N 3.41Å; I163-L179 HydrophobicContact CD1-CD1 3.76Å; I163-L179 HydrophobicContact CG1-CD1 4.35Å; I163-L179 HydrophobicContact CG2-CD1 3.74Å; I163-A185 WeakPolarHBondContact CG1-O 3.32Å; I163-D186 PolarHBondContact N-O 3.33Å; I163-V188 HydrophobicContact CD1-CG1 3.8Å
164S92.9Very high92Very high85 Ų8562.2 Ų62.259%0.59435%0.345SS*.Hα-helixtrans-66.2-44.9176.3-171.90000112T162 Q167 A168T162-S164 PolarHBondContact O-N 3.04Å; S164-Q167 WeakPolarHBondContact O-CB 3.46Å; S164-Q167 PolarHBondContact O-N 3.24Å; S164-A168 PolarHBondContact O-N 3.39Å; S164-A168 VanDerWaalsContact O-N 3.12Å
165E95.1Very high92.4Very high109 Ų10958.8 Ų58.851%0.50932%0.323SS..Hα-helixtrans-65.9-38.6174.8-72160.4130.700111.6M161 T162 A168 T169M161-E165 HydrophobicContact CB-CB 3.98Å; T162-E165 WeakPolarHBondContact CB-OE2 3.3Å; T162-E165 WeakPolarHBondContact CG2-OE2 3.35Å; T162-E165 PolarHBondContact N-OE2 3.43Å; T162-E165 PolarHBondContact O-N 2.91Å; T162-E165 WeakPolarHBondContact OG1-CG 3.49Å; T162-E165 PolarHBondContact OG1-N 3.01Å; T162-E165 VanDerWaalsContact OG1-N 3.16Å; T162-E165 PolarHBondContact OG1-OE2 3.16Å; E165-A168 WeakPolarHBondContact O-CB 3.12Å; E165-A168 PolarHBondContact O-N 3.3Å; E165-A168 VanDerWaalsContact O-N 3.13Å; E165-T169 PolarHBondContact O-N 3.26Å
166L94.7Very high92.4Very high0 Ų055.9 Ų55.90%031%0.306CS..Hα-helixtrans-60.9-45.1173.3-174.172.6000111.4L73 M161 T162 I163 A168 T169 W175 L179 V188 L190L73-L166 HydrophobicContact CD1-CD1 4.2Å; L73-L166 HydrophobicContact CD1-CD2 3.79Å; M161-L166 HydrophobicContact CG-CB 4.41Å; M161-L166 HydrophobicContact SD-CB 3.99Å; M161-L166 HydrophobicContact SD-CD1 3.81Å; T162-L166 PolarHBondContact O-N 3.22Å; I163-L166 PolarHBondContact O-N 3.04Å; L166-A168 PolarHBondContact O-N 3.31Å; L166-T169 WeakPolarHBondContact O-CB 3.19Å; L166-T169 WeakPolarHBondContact O-CG2 2.98Å; L166-T169 PolarHBondContact O-N 3.43Å; L166-T169 PolarHBondContact O-OG1 3.48Å; L166-W175 HydrophobicContact CD1-CD2 4.18Å; L166-W175 HydrophobicContact CD1-CE3 4.47Å; L166-W175 HydrophobicContact CD1-CH2 4Å; L166-W175 HydrophobicContact CD1-CZ2 3.7Å; L166-W175 HydrophobicContact CD1-CZ3 4.4Å; L166-W175 HydrophobicContact CD2-CB 4.29Å; L166-W175 HydrophobicContact CD2-CD2 3.61Å; L166-W175 HydrophobicContact CD2-CE3 3.59Å; L166-W175 HydrophobicContact CD2-CG 3.96Å; L166-W175 HydrophobicContact CD2-CH2 4.48Å; L166-W175 HydrophobicContact CD2-CZ3 4.06Å; L166-W175 HydrophobicContact CG-CD2 3.65Å; L166-W175 HydrophobicContact CG-CE3 4.1Å; L166-W175 HydrophobicContact CG-CG 3.87Å; L166-W175 HydrophobicContact CG-CH2 4.49Å; L166-W175 HydrophobicContact CG-CZ2 4.12Å; L166-W175 VanDerWaalsContact O-CD1 3.24Å; L166-W175 PolarHBondContact O-NE1 3.11Å; L166-L179 HydrophobicContact CD2-CD1 3.84Å; L166-V188 HydrophobicContact CB-CG2 4.37Å; L166-V188 HydrophobicContact CD1-CG2 4.13Å; L166-V188 HydrophobicContact CD2-CG1 4.39Å; L166-V188 HydrophobicContact CD2-CG2 3.98Å; L166-V188 HydrophobicContact CG-CG2 4.38Å; L166-L190 HydrophobicContact CD1-CD2 4.21Å
167Q91.6Very high92.5Very high81 Ų8152 Ų5238%0.37929%0.292SS..Hα-helixtrans-59-30.2174.4-76168.2-8.900112.8I163 S164 T169 W175 S176I163-Q167 HydrophobicContact CG2-CG 4.49Å; I163-Q167 WeakPolarHBondContact O-CB 3.37Å; I163-Q167 VanDerWaalsContact O-CG 3.27Å; I163-Q167 WeakPolarHBondContact O-CG 3.43Å; I163-Q167 PolarHBondContact O-N 3.41Å; S164-Q167 WeakPolarHBondContact O-CB 3.46Å; S164-Q167 PolarHBondContact O-N 3.24Å; Q167-T169 VanDerWaalsContact C-N 3.27Å; Q167-T169 PolarHBondContact O-N 2.71Å; Q167-W175 HydrophobicContact CG-CB 4.14Å; Q167-S176 PolarHBondContact NE2-OG 3.45Å
168A92.4Very high92.6Very high85 Ų8550.6 Ų50.670%0.70229%0.285SS*.THydrogen-bonded Turntrans-75.6-8.5176.700000114.4S164 E165 L166 G170S164-A168 PolarHBondContact O-N 3.39Å; S164-A168 VanDerWaalsContact O-N 3.12Å; E165-A168 WeakPolarHBondContact O-CB 3.12Å; E165-A168 PolarHBondContact O-N 3.3Å; E165-A168 VanDerWaalsContact O-N 3.13Å; L166-A168 PolarHBondContact O-N 3.31Å; A168-G170 VanDerWaalsContact C-N 3.3Å; A168-G170 PolarHBondContact O-N 3Å
169T89.8Confident92.5Very high42 Ų4250 Ų5026%0.25828%0.283SS..THydrogen-bonded Turntrans-72-18.4179.862.10000114.5E165 L166 Q167 W175 I196E165-T169 PolarHBondContact O-N 3.26Å; L166-T169 WeakPolarHBondContact O-CB 3.19Å; L166-T169 WeakPolarHBondContact O-CG2 2.98Å; L166-T169 PolarHBondContact O-N 3.43Å; L166-T169 PolarHBondContact O-OG1 3.48Å; Q167-T169 VanDerWaalsContact C-N 3.27Å; Q167-T169 PolarHBondContact O-N 2.71Å; T169-W175 PolarHBondContact OG1-NE1 3.15Å; T169-W175 VanDerWaalsContact OG1-NE1 3.07Å; T169-I196 WeakPolarHBondContact OG1-CG2 3.3Å
170G82.8Confident92.2Very high23 Ų2351.7 Ų51.724%0.23729%0.292CS..  trans168.4159.5-179.800000112.8A168A168-G170 VanDerWaalsContact C-N 3.3Å; A168-G170 PolarHBondContact O-N 3Å
171N83.4Confident91.7Very high158 Ų15851.4 Ų51.485%0.84529%0.294SS*.SBendtrans-109-4.2-176.566.5-14.3000114.3
172K92.7Very high91.1Very high65 Ų6551.7 Ų51.728%0.28329%0.294SS..SBendtrans-84.9-32.9-178.4178.465.7-169.2-149.80112.5N200 L203 S204K172-N200 HydrophobicContact CB-CB 4.25Å; K172-N200 WeakPolarHBondContact CB-OD1 3.35Å; K172-N200 PolarHBondContact N-OD1 3.34Å; K172-N200 VanDerWaalsContact N-OD1 3.11Å; K172-L203 WeakPolarHBondContact CE-O 3.49Å; K172-L203 HydrophobicContact CG-CB 3.74Å; K172-L203 PolarHBondContact NZ-O 2.86Å; K172-S204 VanDerWaalsContact CG-OG 3.32Å; K172-S204 WeakPolarHBondContact CG-OG 3.46Å
173F94Very high90.4Very high0 Ų056.8 Ų56.80%031%0.309CS..SBendtrans-104.7106.4172.2-168.2-96.3000109.6E39 I54 I55 W175 F178 M199 N200 L203E39-F173 HydrophobicContact CB-CE1 4.27Å; E39-F173 HydrophobicContact CB-CE2 3.99Å; E39-F173 HydrophobicContact CB-CZ 3.86Å; E39-F173 HydrophobicContact CG-CD1 4.12Å; E39-F173 HydrophobicContact CG-CD2 3.62Å; E39-F173 HydrophobicContact CG-CE1 4.09Å; E39-F173 HydrophobicContact CG-CE2 3.57Å; E39-F173 HydrophobicContact CG-CG 3.91Å; E39-F173 HydrophobicContact CG-CZ 3.82Å; I54-F173 HydrophobicContact CD1-CD2 4.32Å; I54-F173 HydrophobicContact CD1-CE2 3.92Å; I55-F173 HydrophobicContact CG2-CZ 4.22Å; F173-W175 AromaticContact CD1-CD2 3.96Å; F173-W175 HydrophobicContact CD1-CD2 3.96Å; F173-W175 AromaticContact CD1-CE3 3.9Å; F173-W175 HydrophobicContact CD1-CE3 3.9Å; F173-W175 HydrophobicContact CD1-CH2 4.31Å; F173-W175 HydrophobicContact CD1-CZ2 4.32Å; F173-W175 HydrophobicContact CD1-CZ3 4.07Å; F173-W175 HydrophobicContact CE1-CD2 4.33Å; F173-W175 AromaticContact CE1-CE3 3.8Å; F173-W175 HydrophobicContact CE1-CE3 3.8Å; F173-W175 HydrophobicContact CE1-CH2 4.37Å; F173-W175 AromaticContact CE1-CZ3 3.81Å; F173-W175 HydrophobicContact CE1-CZ3 3.81Å; F173-W175 PolarHBondContact O-N 2.77Å; F173-F178 HydrophobicContact CE1-CB 3.8Å; F173-F178 AromaticContact CE1-CD2 3.91Å; F173-F178 HydrophobicContact CE1-CD2 3.91Å; F173-F178 AromaticContact CE1-CG 3.81Å; F173-F178 HydrophobicContact CE1-CG 3.81Å; F173-F178 HydrophobicContact CZ-CB 4.18Å; F173-F178 AromaticContact CZ-CD2 3.62Å; F173-F178 HydrophobicContact CZ-CD2 3.62Å; F173-F178 HydrophobicContact CZ-CE2 4.28Å; F173-F178 HydrophobicContact CZ-CG 4.02Å; F173-M199 HydrophobicContact CB-CE 4Å; F173-M199 HydrophobicContact CD1-CE 4.24Å; F173-M199 HydrophobicContact CD2-CE 4.21Å; F173-M199 HydrophobicContact CG-CE 3.9Å; F173-N200 PolarHBondContact N-OD1 2.72Å; F173-N200 VanDerWaalsContact N-OD1 3.15Å; F173-L203 HydrophobicContact CB-CD1 4.33Å; F173-L203 HydrophobicContact CD2-CD1 4.01Å
174N92.7Very high90Very high65 Ų6561.5 Ų61.535%0.34834%0.342SS..  trans-72.894.6-179.1-175.1-16.3000111.9E39 S176 N177 F178E39-N174 HydrophobicContact CG-CB 4.2Å; E39-N174 WeakPolarHBondContact CG-O 3.28Å; E39-N174 WeakPolarHBondContact OE1-CB 3.27Å; E39-N174 PolarHBondContact OE1-N 2.78Å; N174-S176 PolarHBondContact O-N 3.33Å; N174-S176 VanDerWaalsContact O-N 3.15Å; N174-S176 WeakPolarHBondContact OD1-CA 3.27Å; N174-S176 VanDerWaalsContact OD1-CB 3.28Å; N174-S176 WeakPolarHBondContact OD1-CB 3.38Å; N174-S176 PolarHBondContact OD1-N 3.39Å; N174-N177 HydrophobicContact CB-CB 4.17Å; N174-N177 PolarHBondContact ND2-ND2 3.22Å; N174-N177 PolarHBondContact ND2-OD1 2.82Å; N174-N177 WeakPolarHBondContact O-CB 3.11Å; N174-N177 PolarHBondContact O-N 3.49Å; N174-N177 PolarHBondContact OD1-N 3.09Å; N174-F178 PolarHBondContact O-N 2.67Å; N174-F178 VanDerWaalsContact O-N 3.12Å
175W93.9Very high89.5Confident4 Ų458.8 Ų58.82%0.01532%0.324CS..Hα-helixtrans-54.8-29.2175.7-67.5113000114.8I55 L73 L166 Q167 T169 F173 F178 L179 I196I55-W175 HydrophobicContact CD1-CH2 3.34Å; I55-W175 HydrophobicContact CD1-CZ3 3.45Å; I55-W175 VanDerWaalsContact CD1-CZ3 3.45Å; L73-W175 HydrophobicContact CD1-CE3 4.38Å; L73-W175 HydrophobicContact CD1-CH2 4.05Å; L73-W175 HydrophobicContact CD1-CZ3 3.65Å; L166-W175 HydrophobicContact CD1-CD2 4.18Å; L166-W175 HydrophobicContact CD1-CE3 4.47Å; L166-W175 HydrophobicContact CD1-CH2 4Å; L166-W175 HydrophobicContact CD1-CZ2 3.7Å; L166-W175 HydrophobicContact CD1-CZ3 4.4Å; L166-W175 HydrophobicContact CD2-CB 4.29Å; L166-W175 HydrophobicContact CD2-CD2 3.61Å; L166-W175 HydrophobicContact CD2-CE3 3.59Å; L166-W175 HydrophobicContact CD2-CG 3.96Å; L166-W175 HydrophobicContact CD2-CH2 4.48Å; L166-W175 HydrophobicContact CD2-CZ3 4.06Å; L166-W175 HydrophobicContact CG-CD2 3.65Å; L166-W175 HydrophobicContact CG-CE3 4.1Å; L166-W175 HydrophobicContact CG-CG 3.87Å; L166-W175 HydrophobicContact CG-CH2 4.49Å; L166-W175 HydrophobicContact CG-CZ2 4.12Å; L166-W175 VanDerWaalsContact O-CD1 3.24Å; L166-W175 PolarHBondContact O-NE1 3.11Å; Q167-W175 HydrophobicContact CG-CB 4.14Å; T169-W175 PolarHBondContact OG1-NE1 3.15Å; T169-W175 VanDerWaalsContact OG1-NE1 3.07Å; F173-W175 AromaticContact CD1-CD2 3.96Å; F173-W175 HydrophobicContact CD1-CD2 3.96Å; F173-W175 AromaticContact CD1-CE3 3.9Å; F173-W175 HydrophobicContact CD1-CE3 3.9Å; F173-W175 HydrophobicContact CD1-CH2 4.31Å; F173-W175 HydrophobicContact CD1-CZ2 4.32Å; F173-W175 HydrophobicContact CD1-CZ3 4.07Å; F173-W175 HydrophobicContact CE1-CD2 4.33Å; F173-W175 AromaticContact CE1-CE3 3.8Å; F173-W175 HydrophobicContact CE1-CE3 3.8Å; F173-W175 HydrophobicContact CE1-CH2 4.37Å; F173-W175 AromaticContact CE1-CZ3 3.81Å; F173-W175 HydrophobicContact CE1-CZ3 3.81Å; F173-W175 PolarHBondContact O-N 2.77Å; W175-F178 HydrophobicContact CE3-CB 4.43Å; W175-F178 HydrophobicContact CE3-CD1 4.08Å; W175-F178 HydrophobicContact CE3-CG 4.47Å; W175-F178 HydrophobicContact CZ3-CD1 4.12Å; W175-F178 HydrophobicContact CZ3-CE1 4.49Å; W175-F178 PolarHBondContact O-N 3.14Å; W175-L179 VanDerWaalsContact O-CB 3.22Å; W175-L179 WeakPolarHBondContact O-CB 3.08Å; W175-L179 VanDerWaalsContact O-CG 3.22Å; W175-L179 WeakPolarHBondContact O-CG 3.41Å; W175-L179 PolarHBondContact O-N 3.49Å; W175-I196 HydrophobicContact CH2-CD1 3.76Å; W175-I196 HydrophobicContact CH2-CG1 4.43Å; W175-I196 HydrophobicContact CZ2-CD1 3.81Å; W175-I196 HydrophobicContact CZ2-CG1 4.16Å; W175-I196 HydrophobicContact CZ2-CG2 3.82Å
176S91.4Very high89.2Confident39 Ų3959.5 Ų59.527%0.27333%0.331SS..Hα-helixtrans-68.3-40.4175.9-58.20000111.8Q167 N174 F178 D180Q167-S176 PolarHBondContact NE2-OG 3.45Å; N174-S176 PolarHBondContact O-N 3.33Å; N174-S176 VanDerWaalsContact O-N 3.15Å; N174-S176 WeakPolarHBondContact OD1-CA 3.27Å; N174-S176 VanDerWaalsContact OD1-CB 3.28Å; N174-S176 WeakPolarHBondContact OD1-CB 3.38Å; N174-S176 PolarHBondContact OD1-N 3.39Å; S176-F178 VanDerWaalsContact C-N 3.35Å; S176-D180 PolarHBondContact O-N 3.37Å; S176-D180 VanDerWaalsContact O-N 3.16Å
177N92.3Very high89.2Confident53 Ų5365.2 Ų65.228%0.28335%0.354SS..Hα-helixtrans-68.6-33.8175.3-72.6-0.9000112.3E39 S40 N174E39-N177 HydrophobicContact CB-CB 3.87Å; E39-N177 HydrophobicContact CG-CB 4.47Å; E39-N177 PolarHBondContact OE2-ND2 3.14Å; S40-N177 PolarHBondContact OG-O 3.32Å; N174-N177 HydrophobicContact CB-CB 4.17Å; N174-N177 PolarHBondContact ND2-ND2 3.22Å; N174-N177 PolarHBondContact ND2-OD1 2.82Å; N174-N177 WeakPolarHBondContact O-CB 3.11Å; N174-N177 PolarHBondContact O-N 3.49Å; N174-N177 PolarHBondContact OD1-N 3.09Å
178F94.2Very high89.4Confident0 Ų061.3 Ų61.30%034%0.336CS..Hα-helixtrans-68.2-51.8174.8-174-107.8000111.7E39 V42 A43 I55 P57 L73 F173 N174 W175 S176 D180 F182E39-F178 HydrophobicContact CB-CB 3.94Å; E39-F178 WeakPolarHBondContact O-CD2 3.48Å; V42-F178 HydrophobicContact CG1-CE2 4.12Å; A43-F178 HydrophobicContact CB-CD2 3.72Å; A43-F178 HydrophobicContact CB-CE2 3.84Å; A43-F178 HydrophobicContact CB-CG 4.45Å; A43-F178 WeakPolarHBondContact CB-O 3.22Å; I55-F178 HydrophobicContact CG2-CD2 4.48Å; I55-F178 HydrophobicContact CG2-CE2 3.68Å; I55-F178 HydrophobicContact CG2-CZ 3.79Å; P57-F178 HydrophobicContact CB-CE1 4.33Å; P57-F178 HydrophobicContact CB-CZ 3.95Å; P57-F178 HydrophobicContact CG-CZ 3.87Å; L73-F178 HydrophobicContact CD2-CE1 3.72Å; L73-F178 HydrophobicContact CD2-CZ 4.4Å; F173-F178 HydrophobicContact CE1-CB 3.8Å; F173-F178 AromaticContact CE1-CD2 3.91Å; F173-F178 HydrophobicContact CE1-CD2 3.91Å; F173-F178 AromaticContact CE1-CG 3.81Å; F173-F178 HydrophobicContact CE1-CG 3.81Å; F173-F178 HydrophobicContact CZ-CB 4.18Å; F173-F178 AromaticContact CZ-CD2 3.62Å; F173-F178 HydrophobicContact CZ-CD2 3.62Å; F173-F178 HydrophobicContact CZ-CE2 4.28Å; F173-F178 HydrophobicContact CZ-CG 4.02Å; N174-F178 PolarHBondContact O-N 2.67Å; N174-F178 VanDerWaalsContact O-N 3.12Å; W175-F178 HydrophobicContact CE3-CB 4.43Å; W175-F178 HydrophobicContact CE3-CD1 4.08Å; W175-F178 HydrophobicContact CE3-CG 4.47Å; W175-F178 HydrophobicContact CZ3-CD1 4.12Å; W175-F178 HydrophobicContact CZ3-CE1 4.49Å; W175-F178 PolarHBondContact O-N 3.14Å; S176-F178 VanDerWaalsContact C-N 3.35Å; F178-D180 PolarHBondContact O-N 3.36Å; F178-F182 HydrophobicContact CD1-CE2 4.33Å; F178-F182 HydrophobicContact CE1-CD2 4.38Å; F178-F182 AromaticContact CE1-CE2 3.86Å; F178-F182 HydrophobicContact CE1-CE2 3.86Å; F178-F182 HydrophobicContact CE2-CE2 4.34Å; F178-F182 AromaticContact CZ-CE2 3.87Å; F178-F182 HydrophobicContact CZ-CE2 3.87Å; F178-F182 HydrophobicContact CZ-CZ 4.28Å; F178-F182 WeakPolarHBondContact O-CD2 3.49Å
179L93.2Very high89.6Confident6 Ų657.6 Ų57.63%0.03130%0.304CS..Hα-helixtrans-80.8-12.8-169.5-67.9173.1000114.2L71 I163 L166 W175 I181 F182 R183L71-L179 HydrophobicContact CD2-CD2 3.48Å; L71-L179 VanDerWaalsContact CD2-CD2 3.48Å; I163-L179 HydrophobicContact CD1-CD1 3.76Å; I163-L179 HydrophobicContact CG1-CD1 4.35Å; I163-L179 HydrophobicContact CG2-CD1 3.74Å; L166-L179 HydrophobicContact CD2-CD1 3.84Å; W175-L179 VanDerWaalsContact O-CB 3.22Å; W175-L179 WeakPolarHBondContact O-CB 3.08Å; W175-L179 VanDerWaalsContact O-CG 3.22Å; W175-L179 WeakPolarHBondContact O-CG 3.41Å; W175-L179 PolarHBondContact O-N 3.49Å; L179-I181 PolarHBondContact O-N 2.93Å; L179-F182 CarbonylContact O-C 3.45Å; L179-F182 WeakPolarHBondContact O-CA 3.4Å; L179-F182 PolarHBondContact O-N 2.92Å; L179-R183 PolarHBondContact O-N 3.5Å
180D90.2Very high89.9Confident90 Ų9055.7 Ų55.748%0.48129%0.292SS..G310 helixtrans-53-42.4-176.5-166.251.6000112.5S176 F178 F182 R183S176-D180 PolarHBondContact O-N 3.37Å; S176-D180 VanDerWaalsContact O-N 3.16Å; F178-D180 PolarHBondContact O-N 3.36Å; D180-F182 VanDerWaalsContact C-N 3.28Å; D180-F182 PolarHBondContact O-N 2.81Å; D180-R183 PolarHBondContact O-N 3.32Å; D180-R183 IonicContact OD1-CZ 3.97Å; D180-R183 IonicContact OD1-NE 3.22Å; D180-R183 IonicContact OD1-NH1 3.95Å; D180-R183 PolarHBondContact OD1-NH1 3.39Å
181I84Confident90.5Very high76 Ų7654.9 Ų54.939%0.3928%0.282SS..G310 helixtrans-80.5-3178.770.5175.6000114.5A43 L47 L179A43-I181 VanDerWaalsContact C-CD1 3.43Å; A43-I181 HydrophobicContact CB-CD1 3.35Å; A43-I181 HydrophobicContact CB-CG1 3.83Å; L47-I181 HydrophobicContact CB-CD1 4.39Å; L47-I181 HydrophobicContact CD1-CB 4.12Å; L47-I181 HydrophobicContact CD1-CD1 3.6Å; L47-I181 HydrophobicContact CD1-CG1 3.65Å; L47-I181 WeakPolarHBondContact CD1-O 3.22Å; L47-I181 HydrophobicContact CG-CD1 4.13Å; L179-I181 PolarHBondContact O-N 2.93Å
182F83.6Confident91Very high36 Ų3648.1 Ų48.116%0.15825%0.246CC..G310 helixtrans-107.14.1174.6-63.8-86.3000112.6A43 W46 L47 P57 L71 F178 L179 D180A43-F182 HydrophobicContact CB-CE2 3.86Å; W46-F182 AromaticContact CD1-CZ 3.94Å; L47-F182 HydrophobicContact CD1-CD1 4.37Å; L47-F182 HydrophobicContact CD1-CE1 4.16Å; L47-F182 HydrophobicContact CD1-CZ 4.35Å; L47-F182 HydrophobicContact CD2-CD1 4.44Å; L47-F182 HydrophobicContact CD2-CE1 3.77Å; L47-F182 HydrophobicContact CD2-CZ 4.28Å; L47-F182 HydrophobicContact CG-CE1 4Å; L47-F182 HydrophobicContact CG-CZ 4.07Å; P57-F182 HydrophobicContact CB-CE1 4.14Å; P57-F182 HydrophobicContact CB-CZ 3.84Å; P57-F182 HydrophobicContact CG-CE1 4.42Å; P57-F182 HydrophobicContact CG-CZ 3.81Å; L71-F182 HydrophobicContact CD1-CD1 4.14Å; L71-F182 HydrophobicContact CD1-CE1 4.32Å; L71-F182 HydrophobicContact CD2-CB 4.06Å; L71-F182 HydrophobicContact CD2-CD1 4.34Å; L71-F182 HydrophobicContact CD2-CG 4.17Å; F178-F182 HydrophobicContact CD1-CE2 4.33Å; F178-F182 HydrophobicContact CE1-CD2 4.38Å; F178-F182 AromaticContact CE1-CE2 3.86Å; F178-F182 HydrophobicContact CE1-CE2 3.86Å; F178-F182 HydrophobicContact CE2-CE2 4.34Å; F178-F182 AromaticContact CZ-CE2 3.87Å; F178-F182 HydrophobicContact CZ-CE2 3.87Å; F178-F182 HydrophobicContact CZ-CZ 4.28Å; F178-F182 WeakPolarHBondContact O-CD2 3.49Å; L179-F182 CarbonylContact O-C 3.45Å; L179-F182 WeakPolarHBondContact O-CA 3.4Å; L179-F182 PolarHBondContact O-N 2.92Å; D180-F182 VanDerWaalsContact C-N 3.28Å; D180-F182 PolarHBondContact O-N 2.81Å
183R81.5Confident91Very high147 Ų14747.3 Ų47.356%0.55525%0.247SC*.  trans-71.4148.6-178.1-76.9174.4172.8161.9-5.9112.5L179 D180L179-R183 PolarHBondContact O-N 3.5Å; D180-R183 PolarHBondContact O-N 3.32Å; D180-R183 IonicContact OD1-CZ 3.97Å; D180-R183 IonicContact OD1-NE 3.22Å; D180-R183 IonicContact OD1-NH1 3.95Å; D180-R183 PolarHBondContact OD1-NH1 3.39Å
184P82.6Confident91Very high128 Ų12852.8 Ų52.883%0.83127%0.273SS*.SBendcis-79.6138.3-4.832.3-33.9000112.3
185A83.3Confident91.2Very high27 Ų2749.8 Ų49.822%0.22326%0.256CS..  trans-144.1115.5169.900000108.4I163I163-A185 WeakPolarHBondContact CG1-O 3.32Å
186D89.6Confident91.2Very high125 Ų12549.6 Ų49.667%0.66826%0.256SS*.SBendtrans-87.1-28.9179.4-60-47.8000112.3T162 I163T162-D186 WeakPolarHBondContact CA-O 3.49Å; I163-D186 PolarHBondContact N-O 3.33Å
187Y93.9Very high91.3Very high119 Ų11951.8 Ų51.847%0.46727%0.268SS..EExtended strand (participates in β ladder)trans-133.8150.2-177.1-59.1-88.8000110.9K160 M161 T162K160-Y187 HydrophobicContact CG-CD1 4.3Å; M161-Y187 VanDerWaalsContact O-CA 3.29Å; M161-Y187 WeakPolarHBondContact O-CA 3.29Å; T162-Y187 HydrophobicContact CG2-CD1 4.06Å; T162-Y187 HydrophobicContact CG2-CE1 3.69Å
188V95.9Very high91.6Very high0 Ų052.7 Ų52.70%027%0.269CS..EExtended strand (participates in β ladder)trans-122.5156.3164.8-63.50000110.1L71 L73 K160 M161 I163 L166L71-V188 HydrophobicContact CB-CG1 4.25Å; L71-V188 HydrophobicContact CD2-CG1 4.03Å; L71-V188 HydrophobicContact CG-CG1 4.18Å; L71-V188 CarbonylContact O-C 3.59Å; L71-V188 WeakPolarHBondContact O-CA 3.2Å; L71-V188 WeakPolarHBondContact O-CB 3.41Å; L73-V188 HydrophobicContact CD1-CB 4.07Å; L73-V188 HydrophobicContact CD1-CG1 3.91Å; L73-V188 HydrophobicContact CD1-CG2 4.14Å; L73-V188 HydrophobicContact CG-CB 4.32Å; L73-V188 HydrophobicContact CG-CG1 4.31Å; K160-V188 CarbonylContact C-O 3.51Å; K160-V188 VanDerWaalsContact CA-O 3.29Å; K160-V188 WeakPolarHBondContact CA-O 3.35Å; M161-V188 HydrophobicContact CG-CG2 3.7Å; M161-V188 PolarHBondContact N-O 2.95Å; M161-V188 PolarHBondContact O-N 2.93Å; M161-V188 HydrophobicContact SD-CG2 4.49Å; I163-V188 HydrophobicContact CD1-CG1 3.8Å; L166-V188 HydrophobicContact CB-CG2 4.37Å; L166-V188 HydrophobicContact CD1-CG2 4.13Å; L166-V188 HydrophobicContact CD2-CG1 4.39Å; L166-V188 HydrophobicContact CD2-CG2 3.98Å; L166-V188 HydrophobicContact CG-CG2 4.38Å
189N96.2Very high91.7Very high7 Ų752.7 Ų52.74%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-96.7117.6157.3-179.730.1000108.7I70 L71 V72 L73 M157 Y158 N159I70-N189 HydrophobicContact CD1-CB 4.22Å; I70-N189 HydrophobicContact CG2-CB 4.45Å; L71-N189 PolarHBondContact O-N 3.18Å; V72-N189 CarbonylContact C-O 3.6Å; V72-N189 WeakPolarHBondContact CA-O 3.31Å; V72-N189 HydrophobicContact CG1-CB 4.27Å; V72-N189 HydrophobicContact CG2-CB 4.26Å; L73-N189 PolarHBondContact N-O 3.44Å; M157-N189 PolarHBondContact O-ND2 2.81Å; M157-N189 PolarHBondContact O-OD1 2.89Å; Y158-N189 WeakPolarHBondContact CA-OD1 3.38Å; N159-N189 PolarHBondContact N-OD1 3.04Å
190L95.9Very high91.8Very high2 Ų253 Ų531%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-96.1112.2174.4-17761.1000109.9L73 N159 M161 L166 P193 I196L73-L190 HydrophobicContact CB-CD1 3.93Å; N159-L190 VanDerWaalsContact CB-O 3.24Å; N159-L190 WeakPolarHBondContact CB-O 3.28Å; N159-L190 PolarHBondContact ND2-O 3.39Å; N159-L190 PolarHBondContact O-N 3.03Å; M161-L190 HydrophobicContact CE-CB 3.8Å; M161-L190 HydrophobicContact CE-CD2 3.8Å; M161-L190 HydrophobicContact CE-CG 4.44Å; M161-L190 HydrophobicContact SD-CB 4.2Å; M161-L190 HydrophobicContact SD-CD2 4.1Å; L166-L190 HydrophobicContact CD1-CD2 4.21Å; L190-P193 HydrophobicContact CD2-CB 4.16Å; L190-P193 HydrophobicContact CD2-CG 4.19Å; L190-P193 HydrophobicContact CG-CG 4.32Å; L190-I196 HydrophobicContact CD1-CD1 4.17Å; L190-I196 HydrophobicContact CD1-CG1 3.63Å; L190-I196 HydrophobicContact CD2-CG1 3.88Å; L190-I196 HydrophobicContact CG-CG1 4.3Å
191V95.5Very high92.1Very high5 Ų552.3 Ų52.33%0.0327%0.269CS..SBendtrans-68.3-40.6-173-177.40000111.9V72 L73 D74 M157 N159V72-V191 HydrophobicContact CG1-CG2 3.43Å; V72-V191 VanDerWaalsContact CG1-CG2 3.43Å; L73-V191 WeakPolarHBondContact O-CG2 3.17Å; L73-V191 PolarHBondContact O-N 3.35Å; D74-V191 HydrophobicContact CB-CB 4.04Å; D74-V191 HydrophobicContact CB-CG2 3.83Å; D74-V191 WeakPolarHBondContact OD1-CB 3.23Å; D74-V191 WeakPolarHBondContact OD1-CG1 3.32Å; M157-V191 HydrophobicContact CB-CG1 3.99Å; M157-V191 HydrophobicContact CG-CG1 4.27Å; M157-V191 HydrophobicContact SD-CG1 3.55Å; M157-V191 VanDerWaalsContact SD-CG1 3.55Å; N159-V191 PolarHBondContact ND2-O 3.35Å
192E93.6Very high92.8Very high16 Ų1649.6 Ų49.68%0.07526%0.256CS..  trans-131.286.3-176.3-62.4-76.1175.800111.4Q75 T146 R151 E194 Y195 I196Q75-E192 HydrophobicContact CB-CG 4.5Å; T146-E192 VanDerWaalsContact CB-CD 3.43Å; T146-E192 VanDerWaalsContact CB-OE1 3.25Å; T146-E192 WeakPolarHBondContact CB-OE1 3.45Å; T146-E192 WeakPolarHBondContact CB-OE2 3.41Å; T146-E192 PolarHBondContact OG1-OE2 3.16Å; R151-E192 WeakPolarHBondContact CD-OE1 3.22Å; R151-E192 VanDerWaalsContact CG-OE1 3.28Å; R151-E192 WeakPolarHBondContact CG-OE1 3.44Å; R151-E192 IonicContact CZ-OE1 2.65Å; R151-E192 IonicContact NE-OE1 2.66Å; R151-E192 IonicContact NH1-OE1 3.95Å; R151-E192 PolarHBondContact NH1-OE1 3.33Å; E192-E194 VanDerWaalsContact C-N 3.26Å; E192-E194 PolarHBondContact O-N 3.23Å; E192-Y195 WeakPolarHBondContact O-CB 3.21Å; E192-Y195 PolarHBondContact O-N 3.1Å; E192-I196 PolarHBondContact O-N 2.6Å
193P93.7Very high93.4Very high48 Ų4848 Ų4831%0.31225%0.249SC..Hα-helixtrans-59.6-34.3176.9-26.335.8000113.7N159 L190 Y195 I196 T197N159-P193 HydrophobicContact CB-CG 3.96Å; L190-P193 HydrophobicContact CD2-CB 4.16Å; L190-P193 HydrophobicContact CD2-CG 4.19Å; L190-P193 HydrophobicContact CG-CG 4.32Å; P193-Y195 VanDerWaalsContact C-N 3.34Å; P193-Y195 PolarHBondContact O-N 2.85Å; P193-I196 PolarHBondContact O-N 2.68Å; P193-T197 PolarHBondContact O-N 2.63Å; P193-T197 PolarHBondContact O-OG1 3.19Å
194E93.7Very high94.1Very high116 Ų11644.2 Ų44.254%0.54225%0.245SC..Hα-helixtrans-67.2-34.5177.6-166.4-174.8157.300112.3E192 T197 K198E192-E194 VanDerWaalsContact C-N 3.26Å; E192-E194 PolarHBondContact O-N 3.23Å; E194-T197 PolarHBondContact O-N 2.89Å; E194-K198 WeakPolarHBondContact O-CG 3.28Å; E194-K198 PolarHBondContact O-N 3.48Å; E194-K198 WeakPolarHBondContact OE1-CE 3.49Å; E194-K198 IonicContact OE1-NZ 3.93Å; E194-K198 PolarHBondContact OE1-NZ 3.39Å
195Y96Very high94.8Very high1 Ų145.5 Ų45.50%0.00424%0.24CC..Hα-helixtrans-60.3-45.5175.5170.8-95.5000111.1I54 Q75 A76 I144 N145 E192 P193 T197 K198 M199I54-Y195 PolarHBondContact O-OH 2.92Å; Q75-Y195 HydrophobicContact CB-CD1 3.93Å; Q75-Y195 HydrophobicContact CB-CD2 3.75Å; Q75-Y195 HydrophobicContact CB-CE1 4.22Å; Q75-Y195 HydrophobicContact CB-CE2 4.03Å; Q75-Y195 HydrophobicContact CB-CG 3.71Å; A76-Y195 HydrophobicContact CB-CE2 4.4Å; A76-Y195 WeakPolarHBondContact CB-OH 3.49Å; I144-Y195 HydrophobicContact CD1-CD2 4.05Å; I144-Y195 HydrophobicContact CD1-CE2 3.59Å; I144-Y195 HydrophobicContact CG1-CD2 4.02Å; I144-Y195 HydrophobicContact CG1-CE2 3.7Å; N145-Y195 WeakPolarHBondContact OD1-CE2 3.19Å; E192-Y195 WeakPolarHBondContact O-CB 3.21Å; E192-Y195 PolarHBondContact O-N 3.1Å; P193-Y195 VanDerWaalsContact C-N 3.34Å; P193-Y195 PolarHBondContact O-N 2.85Å; Y195-T197 VanDerWaalsContact C-N 3.34Å; Y195-T197 PolarHBondContact O-N 3.29Å; Y195-K198 PolarHBondContact O-N 3.19Å; Y195-M199 HydrophobicContact CE1-CB 4.08Å; Y195-M199 HydrophobicContact CE1-CG 4.27Å; Y195-M199 HydrophobicContact CE1-SD 3.71Å; Y195-M199 VanDerWaalsContact O-CB 3.3Å; Y195-M199 WeakPolarHBondContact O-CB 3.5Å; Y195-M199 PolarHBondContact O-N 3.4Å
196I95.2Very high95.4Very high1 Ų145.5 Ų45.51%0.00524%0.237CC..Hα-helixtrans-61.3-41.2179.9-64.9-55.8000112.1I55 T169 W175 L190 E192 P193 K198 M199 N200I55-I196 HydrophobicContact CD1-CD1 4.23Å; T169-I196 WeakPolarHBondContact OG1-CG2 3.3Å; W175-I196 HydrophobicContact CH2-CD1 3.76Å; W175-I196 HydrophobicContact CH2-CG1 4.43Å; W175-I196 HydrophobicContact CZ2-CD1 3.81Å; W175-I196 HydrophobicContact CZ2-CG1 4.16Å; W175-I196 HydrophobicContact CZ2-CG2 3.82Å; L190-I196 HydrophobicContact CD1-CD1 4.17Å; L190-I196 HydrophobicContact CD1-CG1 3.63Å; L190-I196 HydrophobicContact CD2-CG1 3.88Å; L190-I196 HydrophobicContact CG-CG1 4.3Å; E192-I196 PolarHBondContact O-N 2.6Å; P193-I196 PolarHBondContact O-N 2.68Å; I196-K198 PolarHBondContact O-N 3.4Å; I196-M199 HydrophobicContact CD1-CE 3.8Å; I196-M199 HydrophobicContact CD1-SD 4.42Å; I196-M199 PolarHBondContact O-N 3Å; I196-N200 PolarHBondContact O-N 2.85Å; I196-N200 PolarHBondContact O-ND2 3.09Å
197T94.2Very high95.6Very high84 Ų8442.7 Ų42.752%0.51522%0.222SC..Hα-helixtrans-59.7-47.2175.8-55.40000110.9P193 E194 Y195 N200 V201P193-T197 PolarHBondContact O-N 2.63Å; P193-T197 PolarHBondContact O-OG1 3.19Å; E194-T197 PolarHBondContact O-N 2.89Å; Y195-T197 VanDerWaalsContact C-N 3.34Å; Y195-T197 PolarHBondContact O-N 3.29Å; T197-N200 PolarHBondContact O-N 2.64Å; T197-V201 PolarHBondContact O-N 3.44Å
198K96.7Very high95.5Very high73 Ų7340 Ų4032%0.31721%0.214SC..Hα-helixtrans-68.2-36.5177.9-67172.2-175.6164.30112.9I144 E194 Y195 I196 V201 L202I144-K198 HydrophobicContact CB-CB 3.75Å; I144-K198 HydrophobicContact CB-CD 3.9Å; I144-K198 HydrophobicContact CB-CG 4.46Å; I144-K198 HydrophobicContact CD1-CB 4.09Å; I144-K198 HydrophobicContact CG2-CB 3.75Å; I144-K198 HydrophobicContact CG2-CD 4.04Å; I144-K198 HydrophobicContact CG2-CG 4.38Å; E194-K198 WeakPolarHBondContact O-CG 3.28Å; E194-K198 PolarHBondContact O-N 3.48Å; E194-K198 WeakPolarHBondContact OE1-CE 3.49Å; E194-K198 IonicContact OE1-NZ 3.93Å; E194-K198 PolarHBondContact OE1-NZ 3.39Å; Y195-K198 PolarHBondContact O-N 3.19Å; I196-K198 PolarHBondContact O-N 3.4Å; K198-V201 PolarHBondContact O-N 2.77Å; K198-L202 PolarHBondContact O-N 2.63Å
199M97.4Very high95.3Very high0 Ų042.4 Ų42.40%023%0.228CC..Hα-helixtrans-63.1-42.7177.2-175.8-170.872.200111I54 I144 F173 Y195 I196 V201 L202 L203I54-M199 VanDerWaalsContact O-SD 3.4Å; I144-M199 HydrophobicContact CD1-CB 4.03Å; F173-M199 HydrophobicContact CB-CE 4Å; F173-M199 HydrophobicContact CD1-CE 4.24Å; F173-M199 HydrophobicContact CD2-CE 4.21Å; F173-M199 HydrophobicContact CG-CE 3.9Å; Y195-M199 HydrophobicContact CE1-CB 4.08Å; Y195-M199 HydrophobicContact CE1-CG 4.27Å; Y195-M199 HydrophobicContact CE1-SD 3.71Å; Y195-M199 VanDerWaalsContact O-CB 3.3Å; Y195-M199 WeakPolarHBondContact O-CB 3.5Å; Y195-M199 PolarHBondContact O-N 3.4Å; I196-M199 HydrophobicContact CD1-CE 3.8Å; I196-M199 HydrophobicContact CD1-SD 4.42Å; I196-M199 PolarHBondContact O-N 3Å; M199-V201 VanDerWaalsContact C-N 3.29Å; M199-V201 PolarHBondContact O-N 2.93Å; M199-L202 PolarHBondContact O-N 2.89Å; M199-L203 HydrophobicContact CE-CD1 4.39Å; M199-L203 HydrophobicContact CG-CD1 3.87Å; M199-L203 HydrophobicContact CG-CG 4.22Å; M199-L203 WeakPolarHBondContact O-CB 3.28Å; M199-L203 VanDerWaalsContact O-CG 3.25Å; M199-L203 WeakPolarHBondContact O-CG 3.4Å; M199-L203 PolarHBondContact O-N 3.4Å; M199-L203 HydrophobicContact SD-CD1 4.43Å
200N95.6Very high95.2Very high12 Ų1242.4 Ų42.46%0.06423%0.228CC..Hα-helixtrans-61-37.6175.7-83.3-89000112.2K172 F173 I196 T197 S204K172-N200 HydrophobicContact CB-CB 4.25Å; K172-N200 WeakPolarHBondContact CB-OD1 3.35Å; K172-N200 PolarHBondContact N-OD1 3.34Å; K172-N200 VanDerWaalsContact N-OD1 3.11Å; F173-N200 PolarHBondContact N-OD1 2.72Å; F173-N200 VanDerWaalsContact N-OD1 3.15Å; I196-N200 PolarHBondContact O-N 2.85Å; I196-N200 PolarHBondContact O-ND2 3.09Å; T197-N200 PolarHBondContact O-N 2.64Å; N200-S204 WeakPolarHBondContact O-CB 3.49Å; N200-S204 PolarHBondContact O-N 3.39Å; N200-S204 PolarHBondContact O-OG 2.96Å
201V96.6Very high95.2Very high75 Ų7542.3 Ų42.346%0.45523%0.227SC..Hα-helixtrans-66.6-53173.8177.90000110.6T197 K198 M199 L203 S204 E205T197-V201 PolarHBondContact O-N 3.44Å; K198-V201 PolarHBondContact O-N 2.77Å; M199-V201 VanDerWaalsContact C-N 3.29Å; M199-V201 PolarHBondContact O-N 2.93Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3.42Å; V201-S204 WeakPolarHBondContact O-CA 3.48Å; V201-S204 VanDerWaalsContact O-CB 3.31Å; V201-S204 WeakPolarHBondContact O-CB 3.39Å; V201-S204 PolarHBondContact O-N 3.47Å; V201-E205 HydrophobicContact CG1-CG 4.43Å; V201-E205 PolarHBondContact O-N 2.79Å
202L97.8Very high95.1Very high20 Ų2042.1 Ų42.111%0.10523%0.226CC..Hα-helixtrans-57.3-43.2-179.2176.758.9000112.8F137 A140 L141 I144 K198 M199 S204 E205 T206F137-L202 HydrophobicContact CD2-CD1 4.34Å; F137-L202 HydrophobicContact CD2-CG 4.38Å; F137-L202 HydrophobicContact CE2-CD1 4.34Å; F137-L202 HydrophobicContact CE2-CD2 4.16Å; F137-L202 HydrophobicContact CE2-CG 3.93Å; A140-L202 HydrophobicContact CB-CD1 3.57Å; A140-L202 HydrophobicContact CB-CD2 3.87Å; A140-L202 HydrophobicContact CB-CG 4.39Å; L141-L202 HydrophobicContact CD2-CD2 3.84Å; L141-L202 HydrophobicContact CG-CD2 4.14Å; I144-L202 HydrophobicContact CD1-CD2 3.93Å; I144-L202 HydrophobicContact CG1-CD2 4.43Å; K198-L202 PolarHBondContact O-N 2.63Å; M199-L202 PolarHBondContact O-N 2.89Å; L202-S204 PolarHBondContact O-N 2.6Å; L202-E205 PolarHBondContact O-N 3.45Å; L202-T206 WeakPolarHBondContact O-CB 3.28Å; L202-T206 PolarHBondContact O-N 3.18Å; L202-T206 VanDerWaalsContact O-N 3.08Å; L202-T206 PolarHBondContact O-OG1 3.42Å
203L97Very high95.1Very high1 Ų141.4 Ų41.41%0.00522%0.222CC..Hα-helixtrans-66.9-25.3175.1-68.3173.6000112.7L38 I54 F137 K172 F173 M199 V201 I211L38-L203 HydrophobicContact CD2-CD2 4.25Å; I54-L203 HydrophobicContact CD1-CD1 4.18Å; I54-L203 HydrophobicContact CD1-CD2 4.06Å; F137-L203 HydrophobicContact CE2-CD2 4.42Å; F137-L203 HydrophobicContact CZ-CD2 4Å; K172-L203 WeakPolarHBondContact CE-O 3.49Å; K172-L203 HydrophobicContact CG-CB 3.74Å; K172-L203 PolarHBondContact NZ-O 2.86Å; F173-L203 HydrophobicContact CB-CD1 4.33Å; F173-L203 HydrophobicContact CD2-CD1 4.01Å; M199-L203 HydrophobicContact CE-CD1 4.39Å; M199-L203 HydrophobicContact CG-CD1 3.87Å; M199-L203 HydrophobicContact CG-CG 4.22Å; M199-L203 WeakPolarHBondContact O-CB 3.28Å; M199-L203 VanDerWaalsContact O-CG 3.25Å; M199-L203 WeakPolarHBondContact O-CG 3.4Å; M199-L203 PolarHBondContact O-N 3.4Å; M199-L203 HydrophobicContact SD-CD1 4.43Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3.42Å; L203-I211 HydrophobicContact CD2-CD1 3.85Å; L203-I211 HydrophobicContact CD2-CG1 4.27Å; L203-I211 HydrophobicContact CD2-CG2 4.31Å
204S95.6Very high95.3Very high69 Ų6939.1 Ų39.148%0.48321%0.208SC..Hα-helixtrans-78.2-30.3175.8-59.80000112.5K172 N200 V201 L202K172-S204 VanDerWaalsContact CG-OG 3.32Å; K172-S204 WeakPolarHBondContact CG-OG 3.46Å; N200-S204 WeakPolarHBondContact O-CB 3.49Å; N200-S204 PolarHBondContact O-N 3.39Å; N200-S204 PolarHBondContact O-OG 2.96Å; V201-S204 WeakPolarHBondContact O-CA 3.48Å; V201-S204 VanDerWaalsContact O-CB 3.31Å; V201-S204 WeakPolarHBondContact O-CB 3.39Å; V201-S204 PolarHBondContact O-N 3.47Å; L202-S204 PolarHBondContact O-N 2.6Å
205E96.7Very high95.4Very high155 Ų15533.6 Ų33.672%0.72418%0.182SC*.Hα-helixtrans-88.9-14.9-179.9-65.9176.7163.100113.7V201 L202V201-E205 HydrophobicContact CG1-CG 4.43Å; V201-E205 PolarHBondContact O-N 2.79Å; L202-E205 PolarHBondContact O-N 3.45Å
206T96.8Very high95.3Very high26 Ų2634.1 Ų34.116%0.1618%0.184CC..SBendtrans-97.9137.5-178.3-50.90000111.7F137 L202 T210 I211F137-T206 HydrophobicContact CD2-CG2 3.55Å; F137-T206 WeakPolarHBondContact CD2-OG1 3.5Å; F137-T206 HydrophobicContact CE2-CG2 3.87Å; F137-T206 HydrophobicContact CG-CG2 4.32Å; L202-T206 WeakPolarHBondContact O-CB 3.28Å; L202-T206 PolarHBondContact O-N 3.18Å; L202-T206 VanDerWaalsContact O-N 3.08Å; L202-T206 PolarHBondContact O-OG1 3.42Å; T206-T210 HydrophobicContact CG2-CG2 3.77Å; T206-I211 HydrophobicContact CG2-CD1 4.34Å; T206-I211 HydrophobicContact CG2-CG1 3.76Å
207D94Very high95.3Very high66 Ų6634.1 Ų34.135%0.35318%0.184SC..  trans-67.2148.5173.364.568.4000113K133 D209 T210 I211K133-D207 VanDerWaalsContact NZ-CG 3.32Å; K133-D207 IonicContact NZ-OD1 3.03Å; K133-D207 PolarHBondContact NZ-OD1 2.86Å; K133-D207 IonicContact NZ-OD2 3.87Å; K133-D207 PolarHBondContact NZ-OD2 3.2Å; D207-D209 VanDerWaalsContact C-N 3.32Å; D207-D209 PolarHBondContact O-N 3.08Å; D207-T210 VanDerWaalsContact CG-OG1 3.22Å; D207-T210 PolarHBondContact O-N 2.89Å; D207-T210 VanDerWaalsContact OD1-CB 3.22Å; D207-T210 WeakPolarHBondContact OD1-CB 3.25Å; D207-T210 PolarHBondContact OD1-N 2.96Å; D207-T210 PolarHBondContact OD1-OG1 3.07Å; D207-T210 PolarHBondContact OD2-OG1 3.05Å; D207-I211 PolarHBondContact O-N 2.72Å
208M91.6Very high95.4Very high62 Ų6231 Ų3131%0.30516%0.162SC..Hα-helixtrans-66-33.3-174.1-71.1-68.8-72.400112.6Y31 T210 I211 Y212Y31-M208 HydrophobicContact CD1-CB 4.02Å; Y31-M208 HydrophobicContact CE1-CB 4.26Å; Y31-M208 HydrophobicContact CE1-CE 4.33Å; Y31-M208 HydrophobicContact CE2-CE 4.43Å; Y31-M208 HydrophobicContact CG-CB 4.35Å; M208-T210 PolarHBondContact O-N 3.49Å; M208-I211 PolarHBondContact O-N 3.18Å; M208-I211 HydrophobicContact SD-CD1 4.21Å; M208-Y212 HydrophobicContact CE-CD2 4.33Å; M208-Y212 HydrophobicContact CE-CE2 3.6Å; M208-Y212 WeakPolarHBondContact O-CD2 3.22Å; M208-Y212 PolarHBondContact O-N 3.5Å
209D91.2Very high95.3Very high52 Ų5227.5 Ų27.528%0.27815%0.147SC..Hα-helixtrans-54.8-52.4172.6-61-72.7000110.6N30 Y31 D207 I211 Y212 D213N30-D209 WeakPolarHBondContact CA-OD1 3.41Å; Y31-D209 VanDerWaalsContact CB-OD1 3.3Å; Y31-D209 WeakPolarHBondContact CB-OD1 3.37Å; Y31-D209 PolarHBondContact N-OD1 2.94Å; D207-D209 VanDerWaalsContact C-N 3.32Å; D207-D209 PolarHBondContact O-N 3.08Å; D209-I211 VanDerWaalsContact C-N 3.33Å; D209-I211 PolarHBondContact O-N 3.15Å; D209-Y212 PolarHBondContact O-N 3.07Å; D209-D213 WeakPolarHBondContact O-CB 3.22Å; D209-D213 VanDerWaalsContact O-CG 3.24Å; D209-D213 PolarHBondContact O-N 2.58Å
210T95.2Very high95.2Very high6 Ų627.5 Ų27.54%0.03715%0.147CC..Hα-helixtrans-60.3-39.8-179.9-59.20000112.6K133 F137 T206 D207 M208 Y214K133-T210 HydrophobicContact CB-CG2 3.91Å; K133-T210 WeakPolarHBondContact CD-OG1 3.48Å; K133-T210 PolarHBondContact NZ-OG1 3.23Å; F137-T210 HydrophobicContact CB-CG2 3.78Å; F137-T210 HydrophobicContact CG-CG2 4.27Å; T206-T210 HydrophobicContact CG2-CG2 3.77Å; D207-T210 VanDerWaalsContact CG-OG1 3.22Å; D207-T210 PolarHBondContact O-N 2.89Å; D207-T210 VanDerWaalsContact OD1-CB 3.22Å; D207-T210 WeakPolarHBondContact OD1-CB 3.25Å; D207-T210 PolarHBondContact OD1-N 2.96Å; D207-T210 PolarHBondContact OD1-OG1 3.07Å; D207-T210 PolarHBondContact OD2-OG1 3.05Å; M208-T210 PolarHBondContact O-N 3.49Å; T210-Y214 WeakPolarHBondContact O-CB 3.5Å; T210-Y214 PolarHBondContact O-N 3.41Å
211I95.7Very high95.3Very high0 Ų027.3 Ų27.30%015%0.146CC..Hα-helixtrans-66.4-44.4179-61.1165.3000110.2L38 F137 L203 T206 D207 M208 D209 Y214 L215L38-I211 HydrophobicContact CD1-CG2 3.49Å; L38-I211 VanDerWaalsContact CD1-CG2 3.49Å; L38-I211 HydrophobicContact CD2-CG2 4.08Å; L38-I211 HydrophobicContact CG-CG2 4.46Å; F137-I211 HydrophobicContact CE2-CG1 4.18Å; F137-I211 HydrophobicContact CZ-CG1 4.07Å; L203-I211 HydrophobicContact CD2-CD1 3.85Å; L203-I211 HydrophobicContact CD2-CG1 4.27Å; L203-I211 HydrophobicContact CD2-CG2 4.31Å; T206-I211 HydrophobicContact CG2-CD1 4.34Å; T206-I211 HydrophobicContact CG2-CG1 3.76Å; D207-I211 PolarHBondContact O-N 2.72Å; M208-I211 PolarHBondContact O-N 3.18Å; M208-I211 HydrophobicContact SD-CD1 4.21Å; D209-I211 VanDerWaalsContact C-N 3.33Å; D209-I211 PolarHBondContact O-N 3.15Å; I211-Y214 PolarHBondContact O-N 3.5Å; I211-L215 WeakPolarHBondContact O-CG 3.15Å; I211-L215 PolarHBondContact O-N 2.94Å; I211-L215 VanDerWaalsContact O-N 3.09Å
212Y93.5Very high95.1Very high2 Ų225.6 Ų25.61%0.00814%0.135CC..Hα-helixtrans-72.9-40-179.8-84-111.4000112.3F22 Y31 I36 L38 L41 M208 D209 Y214 L215 Y216F22-Y212 HydrophobicContact CD1-CD1 4.37Å; F22-Y212 HydrophobicContact CE1-CD1 4.2Å; Y31-Y212 AromaticContact CD2-CD1 3.64Å; Y31-Y212 HydrophobicContact CD2-CD1 3.64Å; Y31-Y212 AromaticContact CD2-CD2 3.63Å; Y31-Y212 HydrophobicContact CD2-CD2 3.63Å; Y31-Y212 AromaticContact CD2-CE1 3.94Å; Y31-Y212 HydrophobicContact CD2-CE1 3.94Å; Y31-Y212 AromaticContact CD2-CE2 3.94Å; Y31-Y212 HydrophobicContact CD2-CE2 3.94Å; Y31-Y212 AromaticContact CD2-CG 3.46Å; Y31-Y212 HydrophobicContact CD2-CG 3.46Å; Y31-Y212 VanDerWaalsContact CD2-CG 3.46Å; Y31-Y212 AromaticContact CE2-CD1 3.69Å; Y31-Y212 HydrophobicContact CE2-CD1 3.69Å; Y31-Y212 AromaticContact CE2-CD2 3.66Å; Y31-Y212 HydrophobicContact CE2-CD2 3.66Å; Y31-Y212 AromaticContact CE2-CE1 3.46Å; Y31-Y212 HydrophobicContact CE2-CE1 3.46Å; Y31-Y212 VanDerWaalsContact CE2-CE1 3.46Å; Y31-Y212 AromaticContact CE2-CE2 3.45Å; Y31-Y212 HydrophobicContact CE2-CE2 3.45Å; Y31-Y212 VanDerWaalsContact CE2-CE2 3.45Å; Y31-Y212 AromaticContact CE2-CG 3.77Å; Y31-Y212 HydrophobicContact CE2-CG 3.77Å; Y31-Y212 AromaticContact CE2-CZ 3.31Å; I36-Y212 PolarHBondContact O-OH 3.16Å; L38-Y212 VanDerWaalsContact CA-OH 3.24Å; L38-Y212 WeakPolarHBondContact CA-OH 3.42Å; L38-Y212 HydrophobicContact CB-CE2 4.2Å; L38-Y212 HydrophobicContact CD1-CE2 3.96Å; L38-Y212 PolarHBondContact N-OH 3.41Å; L41-Y212 HydrophobicContact CD2-CD1 3.55Å; L41-Y212 HydrophobicContact CD2-CE1 3.31Å; L41-Y212 HydrophobicContact CD2-CG 4.47Å; M208-Y212 HydrophobicContact CE-CD2 4.33Å; M208-Y212 HydrophobicContact CE-CE2 3.6Å; M208-Y212 WeakPolarHBondContact O-CD2 3.22Å; M208-Y212 PolarHBondContact O-N 3.5Å; D209-Y212 PolarHBondContact O-N 3.07Å; Y212-Y214 VanDerWaalsContact C-N 3.26Å; Y212-Y214 PolarHBondContact O-N 2.93Å; Y212-L215 PolarHBondContact O-N 3.37Å; Y212-L215 VanDerWaalsContact O-N 3.12Å; Y212-Y216 VanDerWaalsContact O-CB 3.31Å; Y212-Y216 WeakPolarHBondContact O-CB 3.23Å; Y212-Y216 PolarHBondContact O-N 2.93Å
213D93.8Very high94.9Very high0 Ų026.5 Ų26.50%014%0.137CC..Hα-helixtrans-55-42.5171.1-82.7-0.2000111.1H26 L28 G29 I134 D209 Y216 W217H26-D213 IonicContact CE1-OD1 2.81Å; H26-D213 PolarHBondContact CE1-OD1 3.19Å; H26-D213 IonicContact NE2-OD1 3.65Å; H26-D213 PolarHBondContact NE2-OD1 3.43Å; L28-D213 WeakPolarHBondContact CA-OD1 3.38Å; L28-D213 HydrophobicContact CD1-CB 4.19Å; G29-D213 WeakPolarHBondContact CA-OD2 3.25Å; G29-D213 VanDerWaalsContact N-CG 3.27Å; G29-D213 PolarHBondContact N-OD1 3.15Å; G29-D213 PolarHBondContact N-OD2 3.32Å; I134-D213 HydrophobicContact CD1-CB 3.94Å; I134-D213 HydrophobicContact CG1-CB 3.71Å; D209-D213 WeakPolarHBondContact O-CB 3.22Å; D209-D213 VanDerWaalsContact O-CG 3.24Å; D209-D213 PolarHBondContact O-N 2.58Å; D213-Y216 PolarHBondContact O-N 3Å; D213-W217 WeakPolarHBondContact O-CB 3.35Å; D213-W217 PolarHBondContact O-N 3.35Å
214Y97.1Very high94.7Very high0 Ų026.4 Ų26.40%014%0.136CC..Hα-helixtrans-63-49.1174.1168.2-102.4000111.7I54 I134 F137 E138 L141 T210 I211 Y212 Y216 W217 R218I54-Y214 HydrophobicContact CG2-CD1 4.15Å; I54-Y214 HydrophobicContact CG2-CE1 3.67Å; I134-Y214 HydrophobicContact CG2-CD2 4.21Å; F137-Y214 AromaticContact CD1-CD1 3.84Å; F137-Y214 HydrophobicContact CD1-CD1 3.84Å; F137-Y214 HydrophobicContact CD1-CD2 4.09Å; F137-Y214 HydrophobicContact CD1-CE1 4.46Å; F137-Y214 AromaticContact CD1-CG 3.62Å; F137-Y214 HydrophobicContact CD1-CG 3.62Å; F137-Y214 AromaticContact CE1-CD1 3.58Å; F137-Y214 HydrophobicContact CE1-CD1 3.58Å; F137-Y214 HydrophobicContact CE1-CE1 4.09Å; F137-Y214 AromaticContact CE1-CG 3.88Å; F137-Y214 HydrophobicContact CE1-CG 3.88Å; E138-Y214 HydrophobicContact CB-CD2 4.21Å; E138-Y214 HydrophobicContact CB-CE2 3.8Å; E138-Y214 HydrophobicContact CG-CE2 3.84Å; L141-Y214 HydrophobicContact CD1-CD1 4.48Å; L141-Y214 HydrophobicContact CD1-CE1 3.71Å; L141-Y214 HydrophobicContact CD1-CE2 4.21Å; T210-Y214 WeakPolarHBondContact O-CB 3.5Å; T210-Y214 PolarHBondContact O-N 3.41Å; I211-Y214 PolarHBondContact O-N 3.5Å; Y212-Y214 VanDerWaalsContact C-N 3.26Å; Y212-Y214 PolarHBondContact O-N 2.93Å; Y214-Y216 VanDerWaalsContact C-N 3.28Å; Y214-Y216 PolarHBondContact O-N 2.97Å; Y214-W217 PolarHBondContact O-N 2.88Å; Y214-R218 HydrophobicContact CD1-CG 4.3Å; Y214-R218 HydrophobicContact CD2-CG 4.09Å; Y214-R218 HydrophobicContact CE1-CG 3.88Å; Y214-R218 HydrophobicContact CE2-CG 3.62Å; Y214-R218 HydrophobicContact CG-CG 4.41Å; Y214-R218 VanDerWaalsContact O-CG 3.3Å; Y214-R218 WeakPolarHBondContact O-CG 3.48Å; Y214-R218 PolarHBondContact O-N 3.18Å
215L95.6Very high94.5Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-61.1-38177.9-67-177.9000112.5F22 L38 L41 V42 L45 S53 I211 Y212 R218 L219F22-L215 HydrophobicContact CE1-CB 4.4Å; F22-L215 HydrophobicContact CZ-CB 4.07Å; L38-L215 HydrophobicContact CD1-CD1 3.63Å; L41-L215 HydrophobicContact CD2-CB 4.46Å; L41-L215 HydrophobicContact CD2-CD1 3.68Å; L41-L215 HydrophobicContact CG-CD1 4.12Å; V42-L215 HydrophobicContact CG2-CD1 3.63Å; V42-L215 HydrophobicContact CG2-CD2 3.93Å; V42-L215 HydrophobicContact CG2-CG 4.45Å; L45-L215 HydrophobicContact CD1-CB 3.83Å; L45-L215 HydrophobicContact CD1-CD1 4.39Å; L45-L215 HydrophobicContact CD1-CD2 4.11Å; L45-L215 HydrophobicContact CD1-CG 4.33Å; S53-L215 VanDerWaalsContact CB-CD2 3.43Å; S53-L215 WeakPolarHBondContact OG-CD2 3.42Å; I211-L215 WeakPolarHBondContact O-CG 3.15Å; I211-L215 PolarHBondContact O-N 2.94Å; I211-L215 VanDerWaalsContact O-N 3.09Å; Y212-L215 PolarHBondContact O-N 3.37Å; Y212-L215 VanDerWaalsContact O-N 3.12Å; L215-R218 PolarHBondContact O-N 3.31Å; L215-L219 PolarHBondContact O-N 3.27Å
216Y93.7Very high94.1Very high13 Ų1319.2 Ų19.25%0.05110%0.097CC..Hα-helixtrans-64.1-47.5175.2-167.2-111.7000110.8L18 F22 H26 F110 M113 Y212 D213 Y214 L219 I220L18-Y216 HydrophobicContact CB-CE2 3.97Å; L18-Y216 HydrophobicContact CD1-CE2 4.14Å; L18-Y216 HydrophobicContact CD2-CD2 4Å; L18-Y216 HydrophobicContact CD2-CE2 3.74Å; L18-Y216 HydrophobicContact CG-CE2 4.14Å; F22-Y216 HydrophobicContact CD1-CD2 4.23Å; F22-Y216 AromaticContact CD2-CD2 3.67Å; F22-Y216 HydrophobicContact CD2-CD2 3.67Å; F22-Y216 HydrophobicContact CD2-CE2 4.21Å; F22-Y216 HydrophobicContact CE1-CD2 4.25Å; F22-Y216 AromaticContact CE2-CD2 3.75Å; F22-Y216 HydrophobicContact CE2-CD2 3.75Å; F22-Y216 AromaticContact CG-CD2 3.97Å; F22-Y216 HydrophobicContact CG-CD2 3.97Å; F22-Y216 HydrophobicContact CG-CE2 4.43Å; F22-Y216 HydrophobicContact CZ-CD2 4.05Å; H26-Y216 AromaticContact CD2-CD2 3.61Å; H26-Y216 AromaticContact CD2-CG 3.74Å; H26-Y216 AromaticContact NE2-CG 3.97Å; F110-Y216 AromaticContact CE1-CD1 3.98Å; F110-Y216 HydrophobicContact CE1-CD1 3.98Å; F110-Y216 HydrophobicContact CE1-CE1 4.12Å; F110-Y216 HydrophobicContact CZ-CD1 4.4Å; M113-Y216 HydrophobicContact CE-CE1 4.46Å; Y212-Y216 VanDerWaalsContact O-CB 3.31Å; Y212-Y216 WeakPolarHBondContact O-CB 3.23Å; Y212-Y216 PolarHBondContact O-N 2.93Å; D213-Y216 PolarHBondContact O-N 3Å; Y214-Y216 VanDerWaalsContact C-N 3.28Å; Y214-Y216 PolarHBondContact O-N 2.97Å; Y216-L219 PolarHBondContact O-N 2.89Å; Y216-I220 HydrophobicContact CD1-CD1 3.52Å; Y216-I220 HydrophobicContact CE1-CD1 3.59Å; Y216-I220 HydrophobicContact CG-CD1 4.24Å; Y216-I220 WeakPolarHBondContact O-CG1 3.49Å; Y216-I220 PolarHBondContact O-N 2.94Å
217W95.7Very high93.9Very high0 Ų018.7 Ų18.70%09%0.093CC..Hα-helixtrans-60-44.8174.1172.3-121.5000112.8Y102 T105 A106 I109 F110 I134 D213 Y214 L219 I220 L221 L224Y102-W217 AromaticContact CE2-CZ2 3.95Å; Y102-W217 HydrophobicContact CE2-CZ2 3.95Å; Y102-W217 AromaticContact CE2-NE1 3.85Å; Y102-W217 AromaticContact CZ-NE1 3.48Å; Y102-W217 PolarHBondContact OH-NE1 3.28Å; T105-W217 HydrophobicContact CG2-CH2 4.18Å; A106-W217 HydrophobicContact CB-CD2 4.12Å; A106-W217 HydrophobicContact CB-CE3 4.25Å; A106-W217 HydrophobicContact CB-CH2 3.89Å; A106-W217 HydrophobicContact CB-CZ2 3.69Å; A106-W217 HydrophobicContact CB-CZ3 4.16Å; I109-W217 HydrophobicContact CB-CZ3 4.16Å; I109-W217 HydrophobicContact CG1-CZ3 4.48Å; I109-W217 HydrophobicContact CG2-CZ3 4.14Å; F110-W217 HydrophobicContact CE2-CB 4.34Å; F110-W217 HydrophobicContact CE2-CD2 4.28Å; F110-W217 AromaticContact CE2-CE3 3.81Å; F110-W217 HydrophobicContact CE2-CE3 3.81Å; F110-W217 HydrophobicContact CZ-CB 4.11Å; F110-W217 HydrophobicContact CZ-CE3 4.05Å; I134-W217 HydrophobicContact CD1-CB 4.21Å; I134-W217 HydrophobicContact CG2-CB 4.08Å; I134-W217 HydrophobicContact CG2-CG 4.01Å; D213-W217 WeakPolarHBondContact O-CB 3.35Å; D213-W217 PolarHBondContact O-N 3.35Å; Y214-W217 PolarHBondContact O-N 2.88Å; W217-L219 PolarHBondContact O-N 3.49Å; W217-I220 HydrophobicContact CE3-CB 4.2Å; W217-I220 HydrophobicContact CE3-CG2 4.17Å; W217-I220 HydrophobicContact CZ3-CB 4.47Å; W217-I220 HydrophobicContact CZ3-CG2 3.98Å; W217-I220 PolarHBondContact O-N 2.86Å; W217-L221 HydrophobicContact CD2-CB 4.35Å; W217-L221 HydrophobicContact CH2-CB 4.09Å; W217-L221 HydrophobicContact CH2-CD1 3.99Å; W217-L221 HydrophobicContact CZ2-CB 3.94Å; W217-L221 HydrophobicContact CZ2-CD1 3.81Å; W217-L221 HydrophobicContact CZ2-CD2 4.09Å; W217-L221 HydrophobicContact CZ2-CG 4.15Å; W217-L221 HydrophobicContact CZ3-CB 4.38Å; W217-L221 VanDerWaalsContact O-CB 3.28Å; W217-L221 WeakPolarHBondContact O-CB 3.37Å; W217-L221 PolarHBondContact O-N 3.15Å; W217-L224 HydrophobicContact CH2-CD1 4.41Å
218R96.6Very high93.8Very high18 Ų1816 Ų167%0.0688%0.078CC..Hα-helixtrans-58.8-37.8178.2-67.8-64.1-72.4110.4-8.3111.8V51 K77 L78 G79 E138 Y214 L215 N222V51-R218 HydrophobicContact CG1-CB 4.05Å; K77-R218 PolarHBondContact O-NE 3.04Å; K77-R218 PolarHBondContact O-NH2 3.43Å; L78-R218 PolarHBondContact O-NH2 3.16Å; L78-R218 VanDerWaalsContact O-NH2 3.09Å; G79-R218 VanDerWaalsContact CA-CZ 3.49Å; E138-R218 IonicContact OE1-NE 2.65Å; Y214-R218 HydrophobicContact CD1-CG 4.3Å; Y214-R218 HydrophobicContact CD2-CG 4.09Å; Y214-R218 HydrophobicContact CE1-CG 3.88Å; Y214-R218 HydrophobicContact CE2-CG 3.62Å; Y214-R218 HydrophobicContact CG-CG 4.41Å; Y214-R218 VanDerWaalsContact O-CG 3.3Å; Y214-R218 WeakPolarHBondContact O-CG 3.48Å; Y214-R218 PolarHBondContact O-N 3.18Å; L215-R218 PolarHBondContact O-N 3.31Å; R218-N222 PolarHBondContact O-N 3.12Å
219L94.9Very high93.9Very high0 Ų017.1 Ų17.10%08%0.079CC..Hα-helixtrans-69.4-46.7175-174.458.3000112.3L17 L18 A21 F22 L45 F49 V51 L215 Y216 W217 N222 R223L17-L219 HydrophobicContact CD2-CD1 3.85Å; L17-L219 HydrophobicContact CD2-CD2 3.65Å; L17-L219 HydrophobicContact CD2-CG 3.7Å; L18-L219 HydrophobicContact CD2-CD2 3.95Å; L18-L219 HydrophobicContact CD2-CG 4.26Å; A21-L219 HydrophobicContact CB-CD2 3.37Å; F22-L219 HydrophobicContact CD2-CD2 4.44Å; F22-L219 HydrophobicContact CE2-CD2 3.91Å; L45-L219 HydrophobicContact CD2-CB 4.23Å; L45-L219 HydrophobicContact CD2-CD1 4.22Å; L45-L219 HydrophobicContact CD2-CD2 3.73Å; L45-L219 HydrophobicContact CD2-CG 4.29Å; F49-L219 HydrophobicContact CB-CD1 3.8Å; F49-L219 HydrophobicContact CD1-CD1 4.31Å; F49-L219 HydrophobicContact CG-CD1 4.09Å; V51-L219 HydrophobicContact CB-CD1 4.5Å; V51-L219 HydrophobicContact CG2-CD1 3.71Å; L215-L219 PolarHBondContact O-N 3.27Å; Y216-L219 PolarHBondContact O-N 2.89Å; W217-L219 PolarHBondContact O-N 3.49Å; L219-N222 PolarHBondContact O-N 2.93Å; L219-R223 WeakPolarHBondContact O-CG 3.44Å; L219-R223 PolarHBondContact O-N 3.49Å
220I95.2Very high94Very high0 Ų019.7 Ų19.70%09%0.085CC..Hα-helixtrans-57.6-53.7177-68.6162.7000110.6L14 L18 I109 F110 M113 Y216 W217 N222 R223 L224L14-I220 HydrophobicContact CD1-CG1 4.4Å; L18-I220 HydrophobicContact CD1-CD1 4.39Å; L18-I220 HydrophobicContact CD1-CG1 4.07Å; L18-I220 HydrophobicContact CD2-CG1 3.85Å; I109-I220 HydrophobicContact CG2-CG2 3.59Å; F110-I220 HydrophobicContact CE1-CD1 3.64Å; F110-I220 HydrophobicContact CZ-CD1 3.99Å; M113-I220 HydrophobicContact CE-CD1 3.86Å; M113-I220 HydrophobicContact CE-CG1 4.39Å; M113-I220 HydrophobicContact SD-CD1 3.85Å; M113-I220 HydrophobicContact SD-CG1 4.36Å; M113-I220 HydrophobicContact SD-CG2 4.22Å; Y216-I220 HydrophobicContact CD1-CD1 3.52Å; Y216-I220 HydrophobicContact CE1-CD1 3.59Å; Y216-I220 HydrophobicContact CG-CD1 4.24Å; Y216-I220 WeakPolarHBondContact O-CG1 3.49Å; Y216-I220 PolarHBondContact O-N 2.94Å; W217-I220 HydrophobicContact CE3-CB 4.2Å; W217-I220 HydrophobicContact CE3-CG2 4.17Å; W217-I220 HydrophobicContact CZ3-CB 4.47Å; W217-I220 HydrophobicContact CZ3-CG2 3.98Å; W217-I220 PolarHBondContact O-N 2.86Å; I220-N222 VanDerWaalsContact C-N 3.27Å; I220-N222 PolarHBondContact O-N 3.1Å; I220-R223 PolarHBondContact O-N 2.67Å; I220-L224 HydrophobicContact CG2-CD2 4Å; I220-L224 WeakPolarHBondContact O-CG 3.49Å; I220-L224 PolarHBondContact O-N 3.42Å; I220-L224 VanDerWaalsContact O-N 3.15Å
221L96.2Very high94Very high8 Ų819.4 Ų19.44%0.0428%0.084CC..Hα-helixtrans-53.9-42.7-177.9175.861.4000112.4Y102 W217 R223 L224 L238Y102-L221 HydrophobicContact CE2-CD1 4.5Å; Y102-L221 HydrophobicContact CE2-CD2 3.66Å; W217-L221 HydrophobicContact CD2-CB 4.35Å; W217-L221 HydrophobicContact CH2-CB 4.09Å; W217-L221 HydrophobicContact CH2-CD1 3.99Å; W217-L221 HydrophobicContact CZ2-CB 3.94Å; W217-L221 HydrophobicContact CZ2-CD1 3.81Å; W217-L221 HydrophobicContact CZ2-CD2 4.09Å; W217-L221 HydrophobicContact CZ2-CG 4.15Å; W217-L221 HydrophobicContact CZ3-CB 4.38Å; W217-L221 VanDerWaalsContact O-CB 3.28Å; W217-L221 WeakPolarHBondContact O-CB 3.37Å; W217-L221 PolarHBondContact O-N 3.15Å; L221-R223 VanDerWaalsContact C-N 3.27Å; L221-R223 PolarHBondContact O-N 3.18Å; L221-L224 HydrophobicContact CD1-CD1 4.15Å; L221-L238 HydrophobicContact CD1-CD2 4.38Å
222N93.6Very high93.9Very high40 Ų4019.5 Ų19.521%0.2148%0.084CC..Hα-helixtrans-67.3-26.3178.7-176.2-91.3000112.9V51 R218 L219 I220 G266V51-N222 HydrophobicContact CG2-CB 4Å; R218-N222 PolarHBondContact O-N 3.12Å; L219-N222 PolarHBondContact O-N 2.93Å; I220-N222 VanDerWaalsContact C-N 3.27Å; I220-N222 PolarHBondContact O-N 3.1Å; N222-G266 PolarHBondContact ND2-O 2.66Å
223R93.4Very high94Very high38 Ų3822.7 Ų22.714%0.14310%0.101CC..Hα-helixtrans-89.9-20.7-179.2-62.9-48.7-165.4-101.26.4114.5L14 L17 F49 L219 I220 L221 P225 I226L14-R223 HydrophobicContact CD1-CB 4.32Å; L17-R223 HydrophobicContact CD1-CG 4.2Å; L17-R223 HydrophobicContact CD2-CG 4.29Å; F49-R223 PolarHBondContact O-NH1 3.3Å; F49-R223 PolarHBondContact O-NH2 2.81Å; L219-R223 WeakPolarHBondContact O-CG 3.44Å; L219-R223 PolarHBondContact O-N 3.49Å; I220-R223 PolarHBondContact O-N 2.67Å; L221-R223 VanDerWaalsContact C-N 3.27Å; L221-R223 PolarHBondContact O-N 3.18Å; R223-P225 VanDerWaalsContact C-CD 3.44Å; R223-I226 WeakPolarHBondContact O-CG1 3.39Å; R223-I226 PolarHBondContact O-N 2.86Å; R223-I226 VanDerWaalsContact O-N 3.14Å
224L93.7Very high94.1Very high0 Ų023.8 Ų23.80%011%0.107CC..G310 helixtrans-45.9-47179.9-58.1-178.2000115.8I109 W217 I220 L221 I226 L227 Y231 S232 H235I109-L224 HydrophobicContact CD1-CD1 4.03Å; I109-L224 HydrophobicContact CD1-CD2 3.65Å; I109-L224 HydrophobicContact CD1-CG 4.49Å; I109-L224 HydrophobicContact CG1-CD1 3.88Å; I109-L224 HydrophobicContact CG1-CD2 4.07Å; I109-L224 HydrophobicContact CG2-CD2 4.14Å; W217-L224 HydrophobicContact CH2-CD1 4.41Å; I220-L224 HydrophobicContact CG2-CD2 4Å; I220-L224 WeakPolarHBondContact O-CG 3.49Å; I220-L224 PolarHBondContact O-N 3.42Å; I220-L224 VanDerWaalsContact O-N 3.15Å; L221-L224 HydrophobicContact CD1-CD1 4.15Å; L224-I226 PolarHBondContact O-N 2.79Å; L224-I226 VanDerWaalsContact O-N 3.11Å; L224-L227 HydrophobicContact CD2-CD1 4.34Å; L224-L227 PolarHBondContact O-N 2.89Å; L224-Y231 HydrophobicContact CD2-CD1 3.95Å; L224-S232 VanDerWaalsContact O-CA 3.31Å; L224-S232 WeakPolarHBondContact O-CA 3.44Å; L224-S232 WeakPolarHBondContact O-CB 3.28Å; L224-H235 HydrophobicContact CB-CB 3.61Å; L224-H235 HydrophobicContact CD1-CB 4.02Å; L224-H235 HydrophobicContact CG-CB 4.48Å
225P90.1Very high94Very high7 Ų725 Ų255%0.04511%0.112CC..G310 helixtrans-64.9-16.7-175.622.8-33.9000115.4R223R223-P225 VanDerWaalsContact C-CD 3.44Å
226I89.3Confident94Very high66 Ų6625.9 Ų25.934%0.33812%0.116SC..G310 helixtrans-105.6-0.1-179.862.4165.3000114.1R223 L224 Y254 Y258R223-I226 WeakPolarHBondContact O-CG1 3.39Å; R223-I226 PolarHBondContact O-N 2.86Å; R223-I226 VanDerWaalsContact O-N 3.14Å; L224-I226 PolarHBondContact O-N 2.79Å; L224-I226 VanDerWaalsContact O-N 3.11Å; I226-Y254 WeakPolarHBondContact CG2-OH 3.32Å; I226-Y258 HydrophobicContact CG2-CE2 4.37Å
227L91.8Very high94.1Very high14 Ų1430.1 Ų30.17%0.07314%0.136CC..SBendtrans-85.8173.4174.9-64.5175.2000112.1L14 L224 Y231 S232L14-L227 HydrophobicContact CB-CD1 4.05Å; L14-L227 HydrophobicContact CB-CD2 4.05Å; L14-L227 HydrophobicContact CD1-CD1 4.32Å; L14-L227 HydrophobicContact CD2-CD1 3.88Å; L14-L227 HydrophobicContact CG-CD1 4.29Å; L224-L227 HydrophobicContact CD2-CD1 4.34Å; L224-L227 PolarHBondContact O-N 2.89Å; L227-Y231 HydrophobicContact CB-CG 4.38Å; L227-Y231 HydrophobicContact CD1-CD1 3.91Å; L227-Y231 HydrophobicContact CD1-CG 3.92Å; L227-S232 WeakPolarHBondContact O-CB 3.39Å; L227-S232 PolarHBondContact O-OG 2.62Å
228E92.9Very high94.1Very high9 Ų930.4 Ų30.44%0.04214%0.138CC..  trans-51.2162.3172.160.6164.8-165.300113.5E7 S10 R230 Y231 S232E7-E228 WeakPolarHBondContact OE1-CA 3.41Å; S10-E228 WeakPolarHBondContact CA-OE2 3.36Å; S10-E228 WeakPolarHBondContact CB-OE2 3.44Å; S10-E228 VanDerWaalsContact OG-CD 3.23Å; S10-E228 PolarHBondContact OG-OE1 2.74Å; S10-E228 PolarHBondContact OG-OE2 2.68Å; E228-R230 VanDerWaalsContact C-N 3.29Å; E228-R230 PolarHBondContact O-N 3.47Å; E228-R230 IonicContact OE1-CZ 3.97Å; E228-R230 IonicContact OE1-NE 3.23Å; E228-R230 PolarHBondContact OE1-NE 3.49Å; E228-R230 IonicContact OE1-NH2 3.87Å; E228-R230 PolarHBondContact OE1-NH2 3.41Å; E228-R230 IonicContact OE2-NE 2.73Å; E228-Y231 HydrophobicContact CG-CD2 3.91Å; E228-Y231 PolarHBondContact O-N 3.05Å; E228-Y231 VanDerWaalsContact O-N 3.07Å; E228-Y231 WeakPolarHBondContact OE1-CD2 3.45Å; E228-Y231 WeakPolarHBondContact OE1-CE2 3.24Å; E228-S232 PolarHBondContact O-N 3.13Å; E228-S232 PolarHBondContact O-OG 3.25Å
229R92.8Very high94Very high87 Ų8730.2 Ų30.233%0.32814%0.138SC..Hα-helixtrans-50.4-44-174.6-70.1-78.4168.3172.5-2.5113.4E3 E7 Y231 S232 D233E3-R229 IonicContact OE1-NH2 3.15Å; E3-R229 PolarHBondContact OE1-NH2 3.4Å; E3-R229 IonicContact OE2-CZ 3.76Å; E3-R229 IonicContact OE2-NE 2.69Å; E3-R229 IonicContact OE2-NH2 3.45Å; E3-R229 PolarHBondContact OE2-NH2 2.88Å; E7-R229 WeakPolarHBondContact OE1-CG 3.08Å; E7-R229 PolarHBondContact OE1-N 2.78Å; E7-R229 PolarHBondContact OE2-N 3.13Å; R229-Y231 PolarHBondContact O-N 2.85Å; R229-Y231 VanDerWaalsContact O-N 3.13Å; R229-S232 WeakPolarHBondContact CA-OG 3.49Å; R229-S232 PolarHBondContact O-N 3.48Å; R229-D233 VanDerWaalsContact O-CB 3.31Å; R229-D233 WeakPolarHBondContact O-CB 3.32Å; R229-D233 PolarHBondContact O-N 3.17Å
230R94.1Very high93.9Very high106 Ų10635.5 Ų35.540%0.416%0.161SC..Hα-helixtrans-51.8-38.8180-61.4-166.5-61.1149.53.2113.3L112 D116 E228 I234L112-R230 HydrophobicContact CD1-CB 4.49Å; L112-R230 HydrophobicContact CD2-CB 3.99Å; L112-R230 WeakPolarHBondContact CD2-O 3.32Å; D116-R230 IonicContact OD2-CZ 2.93Å; D116-R230 IonicContact OD2-NH1 2.69Å; D116-R230 IonicContact OD2-NH2 2.98Å; D116-R230 PolarHBondContact OD2-NH2 3.38Å; E228-R230 VanDerWaalsContact C-N 3.29Å; E228-R230 PolarHBondContact O-N 3.47Å; E228-R230 IonicContact OE1-CZ 3.97Å; E228-R230 IonicContact OE1-NE 3.23Å; E228-R230 PolarHBondContact OE1-NE 3.49Å; E228-R230 IonicContact OE1-NH2 3.87Å; E228-R230 PolarHBondContact OE1-NH2 3.41Å; E228-R230 IonicContact OE2-NE 2.73Å; R230-I234 WeakPolarHBondContact O-CD1 3.47Å
231Y94.6Very high93.8Very high0 Ų040.5 Ų40.50%018%0.183CC..Hα-helixtrans-91.2-44.2-179.8-75.2-100.2000112L14 I109 L112 M113 L224 L227 E228 R229 I234 H235L14-Y231 HydrophobicContact CD2-CD1 4.21Å; L14-Y231 HydrophobicContact CD2-CE1 3.79Å; I109-Y231 HydrophobicContact CD1-CD1 3.98Å; I109-Y231 HydrophobicContact CG2-CE1 4.46Å; L112-Y231 HydrophobicContact CD2-CD1 4.03Å; L112-Y231 HydrophobicContact CD2-CD2 3.68Å; L112-Y231 HydrophobicContact CD2-CE1 3.98Å; L112-Y231 HydrophobicContact CD2-CE2 3.6Å; L112-Y231 HydrophobicContact CD2-CG 3.88Å; L112-Y231 HydrophobicContact CG-CD2 4.5Å; L112-Y231 HydrophobicContact CG-CE1 4.31Å; L112-Y231 HydrophobicContact CG-CE2 3.93Å; M113-Y231 HydrophobicContact CG-CE1 3.74Å; M113-Y231 WeakPolarHBondContact CG-OH 3.17Å; M113-Y231 HydrophobicContact SD-CE1 4.49Å; L224-Y231 HydrophobicContact CD2-CD1 3.95Å; L227-Y231 HydrophobicContact CB-CG 4.38Å; L227-Y231 HydrophobicContact CD1-CD1 3.91Å; L227-Y231 HydrophobicContact CD1-CG 3.92Å; E228-Y231 HydrophobicContact CG-CD2 3.91Å; E228-Y231 PolarHBondContact O-N 3.05Å; E228-Y231 VanDerWaalsContact O-N 3.07Å; E228-Y231 WeakPolarHBondContact OE1-CD2 3.45Å; E228-Y231 WeakPolarHBondContact OE1-CE2 3.24Å; R229-Y231 PolarHBondContact O-N 2.85Å; R229-Y231 VanDerWaalsContact O-N 3.13Å; Y231-I234 PolarHBondContact O-N 3.45Å; Y231-H235 PolarHBondContact O-N 3.45Å
232S93.8Very high93.7Very high2 Ų241.7 Ų41.71%0.01419%0.188CC..Hα-helixtrans-72-33.1-173.749.90000112.7L224 L227 E228 R229 H235 Y236 R247L224-S232 VanDerWaalsContact O-CA 3.31Å; L224-S232 WeakPolarHBondContact O-CA 3.44Å; L224-S232 WeakPolarHBondContact O-CB 3.28Å; L227-S232 WeakPolarHBondContact O-CB 3.39Å; L227-S232 PolarHBondContact O-OG 2.62Å; E228-S232 PolarHBondContact O-N 3.13Å; E228-S232 PolarHBondContact O-OG 3.25Å; R229-S232 WeakPolarHBondContact CA-OG 3.49Å; R229-S232 PolarHBondContact O-N 3.48Å; S232-H235 WeakPolarHBondContact O-CB 3.43Å; S232-H235 PolarHBondContact O-N 3.15Å; S232-Y236 WeakPolarHBondContact O-CD2 3.27Å; S232-Y236 PolarHBondContact O-N 3.01Å; S232-Y236 VanDerWaalsContact O-N 3.08Å; S232-R247 VanDerWaalsContact CB-NH2 3.31Å; S232-R247 PolarHBondContact OG-NH2 2.9Å
233D95.2Very high93.5Very high68 Ų6844.2 Ų44.236%0.36419%0.194SC..Hα-helixtrans-65.2-39.1176.4-71.1-31.2000112.1R229 H235 Y236 E237 R247R229-D233 VanDerWaalsContact O-CB 3.31Å; R229-D233 WeakPolarHBondContact O-CB 3.32Å; R229-D233 PolarHBondContact O-N 3.17Å; D233-H235 PolarHBondContact O-N 2.94Å; D233-Y236 PolarHBondContact O-N 3.27Å; D233-Y236 VanDerWaalsContact O-N 3.12Å; D233-E237 PolarHBondContact O-N 3.04Å; D233-R247 IonicContact OD1-CZ 2.7Å; D233-R247 VanDerWaalsContact OD1-CZ 3.25Å; D233-R247 IonicContact OD1-NE 3.71Å; D233-R247 PolarHBondContact OD1-NE 3.35Å; D233-R247 IonicContact OD1-NH2 2.61Å; D233-R247 PolarHBondContact OD1-NH2 3.07Å
234I96.7Very high93.4Very high24 Ų2445.1 Ų45.112%0.12322%0.215CC..Hα-helixtrans-59.9-35.4173.8-64.6168.3000111.3T105 K108 I109 L112 R230 Y231 L238T105-I234 HydrophobicContact CG2-CG2 4.05Å; K108-I234 HydrophobicContact CB-CD1 4.22Å; K108-I234 HydrophobicContact CB-CG2 4.11Å; K108-I234 HydrophobicContact CD-CG1 4.49Å; K108-I234 HydrophobicContact CD-CG2 4.07Å; I109-I234 HydrophobicContact CD1-CB 4.02Å; I109-I234 HydrophobicContact CD1-CD1 3.85Å; I109-I234 HydrophobicContact CD1-CG2 3.86Å; I109-I234 HydrophobicContact CG1-CG2 4.01Å; L112-I234 HydrophobicContact CD2-CD1 4.02Å; R230-I234 WeakPolarHBondContact O-CD1 3.47Å; Y231-I234 PolarHBondContact O-N 3.45Å; I234-L238 PolarHBondContact O-N 3.12Å
235H95.1Very high93.2Very high24 Ų2447.8 Ų47.811%0.11123%0.228CC..Hα-helixtrans-70.4-40.1174.7177.481.8000112.6L224 Y231 S232 D233 E237 L238 L239L224-H235 HydrophobicContact CB-CB 3.61Å; L224-H235 HydrophobicContact CD1-CB 4.02Å; L224-H235 HydrophobicContact CG-CB 4.48Å; Y231-H235 PolarHBondContact O-N 3.45Å; S232-H235 WeakPolarHBondContact O-CB 3.43Å; S232-H235 PolarHBondContact O-N 3.15Å; D233-H235 PolarHBondContact O-N 2.94Å; H235-E237 VanDerWaalsContact C-N 3.34Å; H235-E237 PolarHBondContact O-N 3.49Å; H235-L238 WeakPolarHBondContact O-CB 3.33Å; H235-L238 PolarHBondContact O-N 3.32Å; H235-L239 WeakPolarHBondContact NE2-CD1 3.39Å; H235-L239 WeakPolarHBondContact O-CG 3.49Å; H235-L239 PolarHBondContact O-N 2.97Å
236Y94.4Very high93.1Very high20 Ų2052 Ų528%0.07825%0.25CS..Hα-helixtrans-69.9-27.7175.3-71.6-71.8000113S232 D233 L238 L239 K240 R247 Y254S232-Y236 WeakPolarHBondContact O-CD2 3.27Å; S232-Y236 PolarHBondContact O-N 3.01Å; S232-Y236 VanDerWaalsContact O-N 3.08Å; D233-Y236 PolarHBondContact O-N 3.27Å; D233-Y236 VanDerWaalsContact O-N 3.12Å; Y236-L238 VanDerWaalsContact C-N 3.32Å; Y236-L238 PolarHBondContact O-N 2.91Å; Y236-L239 HydrophobicContact CD1-CD1 3.98Å; Y236-L239 HydrophobicContact CE1-CD1 4.1Å; Y236-L239 PolarHBondContact O-N 3.26Å; Y236-K240 VanDerWaalsContact O-CB 3.26Å; Y236-K240 WeakPolarHBondContact O-CB 3.37Å; Y236-K240 PolarHBondContact O-N 2.93Å; Y236-R247 HydrophobicContact CD1-CB 3.8Å; Y236-R247 HydrophobicContact CD1-CG 4.3Å; Y236-R247 HydrophobicContact CD2-CB 3.81Å; Y236-R247 HydrophobicContact CD2-CG 3.75Å; Y236-R247 HydrophobicContact CE1-CB 4.12Å; Y236-R247 HydrophobicContact CE1-CG 4.19Å; Y236-R247 HydrophobicContact CE2-CB 4.17Å; Y236-R247 HydrophobicContact CE2-CG 3.66Å; Y236-R247 HydrophobicContact CG-CB 3.65Å; Y236-R247 HydrophobicContact CG-CG 4.1Å; Y236-Y254 WeakPolarHBondContact OH-CE2 3.4Å
237E96.4Very high93.1Very high101 Ų10150.7 Ų50.747%0.47224%0.241SC..Hα-helixtrans-57.6-44.8167-70.8-179.317800111.6K108 D233 H235 K241K108-E237 IonicContact NZ-OE1 2.74Å; K108-E237 IonicContact NZ-OE2 2.63Å; K108-E237 PolarHBondContact NZ-OE2 2.85Å; D233-E237 PolarHBondContact O-N 3.04Å; H235-E237 VanDerWaalsContact C-N 3.34Å; H235-E237 PolarHBondContact O-N 3.49Å; E237-K241 WeakPolarHBondContact O-CB 3.34Å; E237-K241 PolarHBondContact O-N 3.38Å; E237-K241 VanDerWaalsContact O-N 3.08Å
238L96.1Very high92.8Very high7 Ų753.9 Ų53.94%0.03726%0.255CS..Hα-helixtrans-63.5-50175.7177.162.6000111.7L80 A101 Y102 T105 L221 I234 H235 Y236 K240 K241 F242L80-L238 HydrophobicContact CD2-CD1 4.4Å; A101-L238 HydrophobicContact CB-CD1 4.27Å; Y102-L238 HydrophobicContact CD2-CD1 4.44Å; Y102-L238 HydrophobicContact CD2-CD2 3.82Å; Y102-L238 HydrophobicContact CE2-CD2 4.48Å; T105-L238 HydrophobicContact CG2-CB 4.32Å; T105-L238 HydrophobicContact CG2-CD2 4.03Å; L221-L238 HydrophobicContact CD1-CD2 4.38Å; I234-L238 PolarHBondContact O-N 3.12Å; H235-L238 WeakPolarHBondContact O-CB 3.33Å; H235-L238 PolarHBondContact O-N 3.32Å; Y236-L238 VanDerWaalsContact C-N 3.32Å; Y236-L238 PolarHBondContact O-N 2.91Å; L238-K240 VanDerWaalsContact C-N 3.29Å; L238-K240 PolarHBondContact O-N 2.98Å; L238-K241 PolarHBondContact O-N 2.86Å; L238-K241 VanDerWaalsContact O-N 3.09Å; L238-F242 VanDerWaalsContact O-CB 3.25Å; L238-F242 WeakPolarHBondContact O-CB 3.28Å; L238-F242 PolarHBondContact O-N 3.44Å
239L93.3Very high92.5Very high14 Ų1463 Ų637%0.07330%0.295CS..Hα-helixtrans-61.2-38.1-179.3-66.4-176000112.3H235 Y236 F242 R243 G244 Q245H235-L239 WeakPolarHBondContact NE2-CD1 3.39Å; H235-L239 WeakPolarHBondContact O-CG 3.49Å; H235-L239 PolarHBondContact O-N 2.97Å; Y236-L239 HydrophobicContact CD1-CD1 3.98Å; Y236-L239 HydrophobicContact CE1-CD1 4.1Å; Y236-L239 PolarHBondContact O-N 3.26Å; L239-F242 PolarHBondContact O-N 3.42Å; L239-R243 PolarHBondContact O-N 2.96Å; L239-G244 PolarHBondContact O-N 3.24Å; L239-Q245 HydrophobicContact CB-CB 4.26Å; L239-Q245 PolarHBondContact O-N 2.96Å
240K93.8Very high92.3Very high110 Ų11061.8 Ų61.848%0.47830%0.295SS..Hα-helixtrans-62.8-42.4173.4-172.6175.7-172.1123.10111.8Y236 L238 G244 Q245 D246Y236-K240 VanDerWaalsContact O-CB 3.26Å; Y236-K240 WeakPolarHBondContact O-CB 3.37Å; Y236-K240 PolarHBondContact O-N 2.93Å; L238-K240 VanDerWaalsContact C-N 3.29Å; L238-K240 PolarHBondContact O-N 2.98Å; K240-G244 VanDerWaalsContact O-CA 3.23Å; K240-G244 WeakPolarHBondContact O-CA 3.29Å; K240-G244 PolarHBondContact O-N 3.47Å; K240-Q245 VanDerWaalsContact CA-O 3.29Å; K240-Q245 WeakPolarHBondContact CA-O 3.24Å; K240-Q245 PolarHBondContact N-O 3.25Å; K240-Q245 VanDerWaalsContact N-O 3.16Å; K240-D246 WeakPolarHBondContact CD-OD1 3.48Å; K240-D246 VanDerWaalsContact NZ-CG 3.31Å; K240-D246 IonicContact NZ-OD1 2.88Å; K240-D246 PolarHBondContact NZ-OD1 3.19Å; K240-D246 IonicContact NZ-OD2 3.12Å; K240-D246 PolarHBondContact NZ-OD2 2.87Å
241K92.9Very high92Very high106 Ų10658.6 Ų58.646%0.46128%0.283SS..Hα-helixtrans-72.7-33.3178.7-177.156.2-179170.10113.2S97 A101 E237 L238S97-K241 WeakPolarHBondContact O-CE 3.38Å; S97-K241 WeakPolarHBondContact OG-CE 3.5Å; S97-K241 PolarHBondContact OG-NZ 2.65Å; A101-K241 HydrophobicContact CB-CB 4.24Å; A101-K241 HydrophobicContact CB-CG 3.58Å; E237-K241 WeakPolarHBondContact O-CB 3.34Å; E237-K241 PolarHBondContact O-N 3.38Å; E237-K241 VanDerWaalsContact O-N 3.08Å; L238-K241 PolarHBondContact O-N 2.86Å; L238-K241 VanDerWaalsContact O-N 3.09Å
242F93.1Very high91.7Very high33 Ų3361 Ų6115%0.14530%0.299CS..Hα-helixtrans-77.2-50.6-177.8174.5-140.7000112.7L80 Y87 V98 L238 L239L80-F242 HydrophobicContact CB-CE1 4.4Å; L80-F242 HydrophobicContact CB-CE2 4.24Å; L80-F242 HydrophobicContact CB-CZ 3.99Å; L80-F242 HydrophobicContact CD2-CD2 4.43Å; L80-F242 HydrophobicContact CD2-CG 4.39Å; L80-F242 VanDerWaalsContact O-CE1 3.22Å; L80-F242 WeakPolarHBondContact O-CE1 3.32Å; L80-F242 WeakPolarHBondContact O-CZ 3.48Å; Y87-F242 HydrophobicContact CD1-CD2 4.21Å; Y87-F242 HydrophobicContact CD1-CE2 4.06Å; Y87-F242 AromaticContact CD2-CE2 3.73Å; Y87-F242 HydrophobicContact CD2-CE2 3.73Å; Y87-F242 AromaticContact CE1-CD2 3.97Å; Y87-F242 HydrophobicContact CE1-CD2 3.97Å; Y87-F242 AromaticContact CE1-CE2 3.89Å; Y87-F242 HydrophobicContact CE1-CE2 3.89Å; Y87-F242 HydrophobicContact CE2-CD2 4.43Å; Y87-F242 AromaticContact CE2-CE2 3.56Å; Y87-F242 HydrophobicContact CE2-CE2 3.56Å; Y87-F242 HydrophobicContact CE2-CZ 4.35Å; Y87-F242 AromaticContact CG-CE2 3.97Å; Y87-F242 HydrophobicContact CG-CE2 3.97Å; Y87-F242 AromaticContact CZ-CE2 3.62Å; V98-F242 HydrophobicContact CG1-CB 4.36Å; V98-F242 HydrophobicContact CG1-CD2 3.72Å; V98-F242 HydrophobicContact CG1-CE2 4.47Å; V98-F242 HydrophobicContact CG1-CG 4.39Å; L238-F242 VanDerWaalsContact O-CB 3.25Å; L238-F242 WeakPolarHBondContact O-CB 3.28Å; L238-F242 PolarHBondContact O-N 3.44Å; L239-F242 PolarHBondContact O-N 3.42Å
243R90.6Very high91.4Very high93 Ų9366.3 Ų66.335%0.35132%0.322SS..Hα-helixtrans-141.419.6-171.362.1-177175.4-178.3-1.7114.5L239 Q245 D264 D265L239-R243 PolarHBondContact O-N 2.96Å; R243-Q245 HydrophobicContact CG-CB 4.19Å; R243-Q245 PolarHBondContact O-N 2.66Å; R243-D264 IonicContact CZ-OD1 2.78Å; R243-D264 IonicContact CZ-OD2 2.79Å; R243-D264 IonicContact NH1-OD1 3.75Å; R243-D264 PolarHBondContact NH1-OD1 3.43Å; R243-D264 IonicContact NH2-OD1 3.57Å; R243-D264 PolarHBondContact NH2-OD1 3.16Å; R243-D264 IonicContact NH2-OD2 2.68Å; R243-D264 PolarHBondContact NH2-OD2 2.83Å; R243-D265 IonicContact NH1-OD2 3.51Å
244G91.4Very high90.9Very high57 Ų5764.5 Ų64.559%0.58831%0.31SS*.  trans71.810.6175.400000115.3L239 K240L239-G244 PolarHBondContact O-N 3.24Å; K240-G244 VanDerWaalsContact O-CA 3.23Å; K240-G244 WeakPolarHBondContact O-CA 3.29Å; K240-G244 PolarHBondContact O-N 3.47Å
245Q88.3Confident90.4Very high55 Ų5564.8 Ų64.826%0.25731%0.314SS..PPolyproline II helixtrans-82.3118.4-175.8179.2-174.88.700111.7L239 K240 R243 D264L239-Q245 HydrophobicContact CB-CB 4.26Å; L239-Q245 PolarHBondContact O-N 2.96Å; K240-Q245 VanDerWaalsContact CA-O 3.29Å; K240-Q245 WeakPolarHBondContact CA-O 3.24Å; K240-Q245 PolarHBondContact N-O 3.25Å; K240-Q245 VanDerWaalsContact N-O 3.16Å; R243-Q245 HydrophobicContact CG-CB 4.19Å; R243-Q245 PolarHBondContact O-N 2.66Å; Q245-D264 PolarHBondContact NE2-OD2 2.68Å; Q245-D264 PolarHBondContact OE1-OD2 2.93Å
246D88.9Confident90Very high97 Ų9767.7 Ų67.752%0.51933%0.334SS..PPolyproline II helixtrans-81.6158.1166.7-81.6-52.1000111.9K240 E248K240-D246 WeakPolarHBondContact CD-OD1 3.48Å; K240-D246 VanDerWaalsContact NZ-CG 3.31Å; K240-D246 IonicContact NZ-OD1 2.88Å; K240-D246 PolarHBondContact NZ-OD1 3.19Å; K240-D246 IonicContact NZ-OD2 3.12Å; K240-D246 PolarHBondContact NZ-OD2 2.87Å; D246-E248 PolarHBondContact O-N 2.98Å
247R88.6Confident89.3Confident38 Ų3868.1 Ų68.114%0.14334%0.341CS..PPolyproline II helixtrans-59.3130.6169.8-175.6-164.2-82.8-93.77.9109.8S232 D233 Y236 K249S232-R247 VanDerWaalsContact CB-NH2 3.31Å; S232-R247 PolarHBondContact OG-NH2 2.9Å; D233-R247 IonicContact OD1-CZ 2.7Å; D233-R247 VanDerWaalsContact OD1-CZ 3.25Å; D233-R247 IonicContact OD1-NE 3.71Å; D233-R247 PolarHBondContact OD1-NE 3.35Å; D233-R247 IonicContact OD1-NH2 2.61Å; D233-R247 PolarHBondContact OD1-NH2 3.07Å; Y236-R247 HydrophobicContact CD1-CB 3.8Å; Y236-R247 HydrophobicContact CD1-CG 4.3Å; Y236-R247 HydrophobicContact CD2-CB 3.81Å; Y236-R247 HydrophobicContact CD2-CG 3.75Å; Y236-R247 HydrophobicContact CE1-CB 4.12Å; Y236-R247 HydrophobicContact CE1-CG 4.19Å; Y236-R247 HydrophobicContact CE2-CB 4.17Å; Y236-R247 HydrophobicContact CE2-CG 3.66Å; Y236-R247 HydrophobicContact CG-CB 3.65Å; Y236-R247 HydrophobicContact CG-CG 4.1Å; R247-K249 PolarHBondContact O-N 2.9Å
248E85.8Confident88.6Confident80 Ų8067.5 Ų67.537%0.37434%0.335SS..PPolyproline II helixtrans-58.5123.4168174.755.9-8500109.6D246 D250 K253D246-E248 PolarHBondContact O-N 2.98Å; E248-D250 VanDerWaalsContact CG-O 3.3Å; E248-D250 WeakPolarHBondContact CG-O 3.2Å; E248-D250 PolarHBondContact OE1-N 3.44Å; E248-K253 HydrophobicContact CG-CB 4.06Å; E248-K253 VanDerWaalsContact OE2-CD 3.31Å; E248-K253 WeakPolarHBondContact OE2-CD 3.48Å
249K86Confident88Confident202 Ų20272.9 Ų72.988%0.87837%0.368SS*.SBendtrans-78.6-29.3-177.3-64.2178.7-179.6175.90111.4R247 R251R247-K249 PolarHBondContact O-N 2.9Å; K249-R251 PolarHBondContact O-N 3.01Å
250D89.1Confident87.4Confident61 Ų6176.2 Ų76.233%0.32639%0.389SS..  trans-90.899177.4-174.1-16.7000110.6E248 S252 K253 Y254E248-D250 VanDerWaalsContact CG-O 3.3Å; E248-D250 WeakPolarHBondContact CG-O 3.2Å; E248-D250 PolarHBondContact OE1-N 3.44Å; D250-S252 PolarHBondContact O-N 2.83Å; D250-S252 VanDerWaalsContact O-N 3.08Å; D250-S252 WeakPolarHBondContact OD1-CA 3.06Å; D250-S252 VanDerWaalsContact OD1-CB 3.28Å; D250-S252 WeakPolarHBondContact OD1-CB 3.25Å; D250-S252 PolarHBondContact OD1-N 3.42Å; D250-S252 PolarHBondContact OD1-OG 2.77Å; D250-S252 PolarHBondContact OD2-OG 2.82Å; D250-K253 HydrophobicContact CB-CB 4.28Å; D250-K253 HydrophobicContact CB-CD 3.91Å; D250-K253 HydrophobicContact CB-CG 4.01Å; D250-K253 PolarHBondContact O-N 2.89Å; D250-K253 PolarHBondContact OD1-N 3.11Å; D250-K253 WeakPolarHBondContact OD2-CE 3.38Å; D250-Y254 PolarHBondContact O-N 2.93Å
251R87.4Confident86.2Confident39 Ų3973.3 Ų73.315%0.14739%0.391CS..Hα-helixtrans-59.2-22.7179.7-169.656.2159.4174.1-3.4113.2M1 E3 I6 K249 C255M1-R251 WeakPolarHBondContact O-CG 3.47Å; E3-R251 HydrophobicContact CG-CG 3.81Å; E3-R251 WeakPolarHBondContact OE1-CD 3.5Å; E3-R251 VanDerWaalsContact OE1-CG 3.28Å; E3-R251 WeakPolarHBondContact OE1-CG 3.39Å; E3-R251 IonicContact OE1-CZ 3.03Å; E3-R251 IonicContact OE1-NE 3.73Å; E3-R251 PolarHBondContact OE1-NE 3.24Å; I6-R251 VanDerWaalsContact CD1-NH2 3.28Å; K249-R251 PolarHBondContact O-N 3.01Å; R251-C255 WeakPolarHBondContact O-CB 3.4Å; R251-C255 PolarHBondContact O-N 2.96Å; R251-C255 PolarHBondContact O-SG 3.16Å; R251-C255 VanDerWaalsContact O-SG 3.41Å
252S89.1Confident84.4Confident49 Ų4974.6 Ų74.634%0.34340%0.398SS..Hα-helixtrans-69.1-44.8174.7780000111.1D250 Y254 C255 V256D250-S252 PolarHBondContact O-N 2.83Å; D250-S252 VanDerWaalsContact O-N 3.08Å; D250-S252 WeakPolarHBondContact OD1-CA 3.06Å; D250-S252 VanDerWaalsContact OD1-CB 3.28Å; D250-S252 WeakPolarHBondContact OD1-CB 3.25Å; D250-S252 PolarHBondContact OD1-N 3.42Å; D250-S252 PolarHBondContact OD1-OG 2.77Å; D250-S252 PolarHBondContact OD2-OG 2.82Å; S252-Y254 PolarHBondContact O-N 2.93Å; S252-C255 PolarHBondContact O-N 3.44Å; S252-C255 VanDerWaalsContact O-N 3.16Å; S252-V256 WeakPolarHBondContact O-CG2 3.42Å; S252-V256 PolarHBondContact O-N 2.62Å
253K86.7Confident82.1Confident115 Ų11576.8 Ų76.850%0.542%0.422SS..Hα-helixtrans-61.5-43.8174.9-66.7179.5-167.4169.60112.2E248 D250 C255 V256 A257E248-K253 HydrophobicContact CG-CB 4.06Å; E248-K253 VanDerWaalsContact OE2-CD 3.31Å; E248-K253 WeakPolarHBondContact OE2-CD 3.48Å; D250-K253 HydrophobicContact CB-CB 4.28Å; D250-K253 HydrophobicContact CB-CD 3.91Å; D250-K253 HydrophobicContact CB-CG 4.01Å; D250-K253 PolarHBondContact O-N 2.89Å; D250-K253 PolarHBondContact OD1-N 3.11Å; D250-K253 WeakPolarHBondContact OD2-CE 3.38Å; K253-C255 VanDerWaalsContact C-N 3.31Å; K253-C255 PolarHBondContact O-N 3.27Å; K253-V256 PolarHBondContact O-N 2.67Å; K253-A257 WeakPolarHBondContact O-CB 3.17Å; K253-A257 PolarHBondContact O-N 3.28Å
254Y84.7Confident80.1Confident29 Ų2974.5 Ų74.511%0.11442%0.417CS..Hα-helixtrans-56.6-46.6173.5179.1-86.2000111.5I226 Y236 D250 S252 V256 Y258 H267I226-Y254 WeakPolarHBondContact CG2-OH 3.32Å; Y236-Y254 WeakPolarHBondContact OH-CE2 3.4Å; D250-Y254 PolarHBondContact O-N 2.93Å; S252-Y254 PolarHBondContact O-N 2.93Å; Y254-V256 PolarHBondContact O-N 2.96Å; Y254-Y258 VanDerWaalsContact O-CB 3.32Å; Y254-Y258 WeakPolarHBondContact O-CB 3.49Å; Y254-Y258 PolarHBondContact O-N 3.34Å; Y254-H267 PolarHBondContact OH-NE2 3.33Å
255C86.2Confident77.9Confident31 Ų3175.6 Ų75.621%0.20941%0.409CS..Hα-helixtrans-66.2-34.6177.6-75.30000113.1M1 R251 S252 K253 V259M1-C255 HydrophobicContact CG-CB 3.89Å; M1-C255 PolarHBondContact N-SG 2.71Å; R251-C255 WeakPolarHBondContact O-CB 3.4Å; R251-C255 PolarHBondContact O-N 2.96Å; R251-C255 PolarHBondContact O-SG 3.16Å; R251-C255 VanDerWaalsContact O-SG 3.41Å; S252-C255 PolarHBondContact O-N 3.44Å; S252-C255 VanDerWaalsContact O-N 3.16Å; K253-C255 VanDerWaalsContact C-N 3.31Å; K253-C255 PolarHBondContact O-N 3.27Å; C255-V259 WeakPolarHBondContact O-CB 3.29Å; C255-V259 VanDerWaalsContact O-CG2 3.24Å; C255-V259 WeakPolarHBondContact O-CG2 3.38Å; C255-V259 PolarHBondContact O-N 3.08Å; C255-V259 VanDerWaalsContact O-N 3.15Å
256V87Confident75.7Confident85 Ų8574.8 Ų74.852%0.51542%0.416SS..Hα-helixtrans-64.9-551741710000109.9S252 K253 Y254 Y258 V259 T260S252-V256 WeakPolarHBondContact O-CG2 3.42Å; S252-V256 PolarHBondContact O-N 2.62Å; K253-V256 PolarHBondContact O-N 2.67Å; Y254-V256 PolarHBondContact O-N 2.96Å; V256-Y258 VanDerWaalsContact C-N 3.29Å; V256-Y258 PolarHBondContact O-N 3.25Å; V256-V259 CarbonylContact O-C 3.32Å; V256-V259 PolarHBondContact O-N 3.1Å; V256-T260 HydrophobicContact CG1-CG2 4.05Å; V256-T260 WeakPolarHBondContact O-CG2 3.47Å; V256-T260 PolarHBondContact O-N 2.76Å; V256-T260 PolarHBondContact O-OG1 3.44Å; V256-T260 VanDerWaalsContact O-OG1 3.11Å
257A80.7Confident73.5Confident29 Ų2972.9 Ų72.924%0.2440%0.404CS..Hα-helixtrans-55.8-42179.900000112.6K253 V259 T260 G261 E262K253-A257 WeakPolarHBondContact O-CB 3.17Å; K253-A257 PolarHBondContact O-N 3.28Å; A257-V259 VanDerWaalsContact C-N 3.34Å; A257-V259 PolarHBondContact O-N 3.14Å; A257-T260 WeakPolarHBondContact CA-OG1 3.25Å; A257-T260 PolarHBondContact O-OG1 3.13Å; A257-G261 PolarHBondContact O-N 3.09Å; A257-E262 HydrophobicContact CB-CB 4.19Å; A257-E262 PolarHBondContact O-N 3.2Å; A257-E262 VanDerWaalsContact O-N 3.07Å
258Y80.3Confident71.3Confident88 Ų8874.2 Ų74.235%0.34541%0.412SS..Hα-helixtrans-63.3-36.1175.4-177.2-89.1000113.1I226 Y254 V256 L270I226-Y258 HydrophobicContact CG2-CE2 4.37Å; Y254-Y258 VanDerWaalsContact O-CB 3.32Å; Y254-Y258 WeakPolarHBondContact O-CB 3.49Å; Y254-Y258 PolarHBondContact O-N 3.34Å; V256-Y258 VanDerWaalsContact C-N 3.29Å; V256-Y258 PolarHBondContact O-N 3.25Å; Y258-L270 HydrophobicContact CE1-CD1 4.04Å
259V84.1Confident68.9Low119 Ų11978 Ų7872%0.72143%0.427SS*.Hα-helixtrans-83.3-33.8-179.9170.90000112.3C255 V256 A257 G261C255-V259 WeakPolarHBondContact O-CB 3.29Å; C255-V259 VanDerWaalsContact O-CG2 3.24Å; C255-V259 WeakPolarHBondContact O-CG2 3.38Å; C255-V259 PolarHBondContact O-N 3.08Å; C255-V259 VanDerWaalsContact O-N 3.15Å; V256-V259 CarbonylContact O-C 3.32Å; V256-V259 PolarHBondContact O-N 3.1Å; A257-V259 VanDerWaalsContact C-N 3.34Å; A257-V259 PolarHBondContact O-N 3.14Å; V259-G261 VanDerWaalsContact C-N 3.26Å
260T81.3Confident66.2Low84 Ų8475.1 Ų75.152%0.51542%0.421SS..Hα-helixtrans-76.4-1517556.60000112.9V256 A257 E262V256-T260 HydrophobicContact CG1-CG2 4.05Å; V256-T260 WeakPolarHBondContact O-CG2 3.47Å; V256-T260 PolarHBondContact O-N 2.76Å; V256-T260 PolarHBondContact O-OG1 3.44Å; V256-T260 VanDerWaalsContact O-OG1 3.11Å; A257-T260 WeakPolarHBondContact CA-OG1 3.25Å; A257-T260 PolarHBondContact O-OG1 3.13Å; T260-E262 VanDerWaalsContact C-N 3.27Å; T260-E262 WeakPolarHBondContact OG1-CG 3.44Å
261G67.4Low63.4Low50 Ų5074.1 Ų74.152%0.51543%0.425SS..THydrogen-bonded Turntrans68.729.7-173.900000111.9A257 V259 A263A257-G261 PolarHBondContact O-N 3.09Å; V259-G261 VanDerWaalsContact C-N 3.26Å; G261-A263 PolarHBondContact O-N 2.93Å
262E56.6Low60.5Low133 Ų13382.1 Ų82.162%0.62146%0.461SS*.  trans-62.4102.1168.7-83.5177.2-17300107.9A257 T260 D264A257-E262 HydrophobicContact CB-CB 4.19Å; A257-E262 PolarHBondContact O-N 3.2Å; A257-E262 VanDerWaalsContact O-N 3.07Å; T260-E262 VanDerWaalsContact C-N 3.27Å; T260-E262 WeakPolarHBondContact OG1-CG 3.44Å; E262-D264 PolarHBondContact O-N 2.77Å
263A44.6Very low57.7Low78 Ų7885.9 Ų85.965%0.64547%0.471SS*.  trans-7091.4-166.200000110.9G261G261-A263 PolarHBondContact O-N 2.93Å
264D47.1Very low54.7Low46 Ų4688.3 Ų88.325%0.24648%0.482CS..  trans-71.6125.9140.8-159.7-1.8000108R243 Q245 E262 G266 H267R243-D264 IonicContact CZ-OD1 2.78Å; R243-D264 IonicContact CZ-OD2 2.79Å; R243-D264 IonicContact NH1-OD1 3.75Å; R243-D264 PolarHBondContact NH1-OD1 3.43Å; R243-D264 IonicContact NH2-OD1 3.57Å; R243-D264 PolarHBondContact NH2-OD1 3.16Å; R243-D264 IonicContact NH2-OD2 2.68Å; R243-D264 PolarHBondContact NH2-OD2 2.83Å; Q245-D264 PolarHBondContact NE2-OD2 2.68Å; Q245-D264 PolarHBondContact OE1-OD2 2.93Å; E262-D264 PolarHBondContact O-N 2.77Å; D264-G266 PolarHBondContact O-N 3.06Å; D264-H267 PolarHBondContact O-N 3.17Å
265D45.3Very low52.2Low79 Ų7995.2 Ų95.242%0.42251%0.513SS..THydrogen-bonded Turntrans-56.1-6.1-158.7-64.2-63.8000117.1K77 R243K77-D265 PolarHBondContact NZ-O 2.84Å; R243-D265 IonicContact NH1-OD2 3.51Å
266G42Very low50Low39 Ų39103.3 Ų103.340%0.40255%0.554SS.*THydrogen-bonded Turntrans-92.8-8.5173.300000115.9N222 D264N222-G266 PolarHBondContact ND2-O 2.66Å; D264-G266 PolarHBondContact O-N 3.06Å
267H42.9Very low48.1Very low56 Ų56104.3 Ų104.326%0.25956%0.556SS.*  trans-105.451.9-176.5-68.4-42.7000113.3Y254 D264 F269Y254-H267 PolarHBondContact OH-NE2 3.33Å; D264-H267 PolarHBondContact O-N 3.17Å; H267-F269 PolarHBondContact O-N 2.91Å
268E43Very low46.4Very low67 Ų67108.2 Ų108.231%0.31357%0.573SS.*  trans-81.8115.2175.1-95.8165.7-152.600112.4K77K77-E268 IonicContact NZ-OE1 2.71Å; K77-E268 PolarHBondContact NZ-OE1 3.06Å; K77-E268 IonicContact NZ-OE2 2.98Å; K77-E268 PolarHBondContact NZ-OE2 2.95Å
269F35.7Very low44.5Very low158 Ų158109.3 Ų109.369%0.69359%0.586SS**  trans63.995.7162.2-62.8-78.3000119.5H267 G271H267-F269 PolarHBondContact O-N 2.91Å; F269-G271 PolarHBondContact O-N 3.03Å
270L29.8Very low42.2Very low142 Ų142108.8 Ų108.874%0.74358%0.578SS**  trans-69.368.4141.2-77.7174.1000110.5Y258 K272Y258-L270 HydrophobicContact CE1-CD1 4.04Å; L270-K272 PolarHBondContact O-N 2.89Å
271G29.3Very low39.8Very low41 Ų41110.3 Ų110.342%0.42358%0.582SS.*  trans-70.386.817200000111.4F269 F273F269-G271 PolarHBondContact O-N 3.03Å; G271-F273 PolarHBondContact O-N 2.69Å
272K26.8Very low37.9Very low206 Ų206114.3 Ų114.390%0.89659%0.586SS**  trans-6880160.7-95.6-170.8174.6179.90109L270 K274L270-K272 PolarHBondContact O-N 2.89Å; K272-K274 VanDerWaalsContact C-N 3.28Å; K272-K274 PolarHBondContact O-N 3.34Å
273F31Very low36.6Very low128 Ų128113 Ų11356%0.56158%0.583SS**  trans-70.791.1163-69.6-76.7000108.6G271 F275G271-F273 PolarHBondContact O-N 2.69Å; F273-F275 HydrophobicContact CB-CD2 4.24Å; F273-F275 HydrophobicContact CB-CE2 3.7Å; F273-F275 HydrophobicContact CB-CZ 4.09Å; F273-F275 HydrophobicContact CD1-CZ 4.37Å; F273-F275 HydrophobicContact CG-CE2 4.45Å; F273-F275 HydrophobicContact CG-CZ 4.41Å; F273-F275 PolarHBondContact O-N 2.91Å
274K23Very low36Very low166 Ų166115.7 Ų115.772%0.72258%0.579SS**  trans-82.7101.4159.6-153.8-178.3175.8-95.80105.7K272 D276K272-K274 VanDerWaalsContact C-N 3.28Å; K272-K274 PolarHBondContact O-N 3.34Å; K274-D276 IonicContact NZ-OD1 2.68Å; K274-D276 PolarHBondContact NZ-OD1 2.88Å
275F31.3Very low35.1Very low174 Ų174121.5 Ų121.576%0.76361%0.607SS**  trans-77.7122.4160-59.5-81.5000106.1F273F273-F275 HydrophobicContact CB-CD2 4.24Å; F273-F275 HydrophobicContact CB-CE2 3.7Å; F273-F275 HydrophobicContact CB-CZ 4.09Å; F273-F275 HydrophobicContact CD1-CZ 4.37Å; F273-F275 HydrophobicContact CG-CE2 4.45Å; F273-F275 HydrophobicContact CG-CZ 4.41Å; F273-F275 PolarHBondContact O-N 2.91Å
276D40.5Very low34.1Very low202 Ų202125.4 Ų125.4100%1.0862%0.623SS**  trans-87.50165.5-71.4-29000109.3K274K274-D276 IonicContact NZ-OD1 2.68Å; K274-D276 PolarHBondContact NZ-OD1 2.88Å

Retrieved 276 of 276 residues in 271.2 ms (Link to these results)

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