A0A077ZGS3_TRITR Loading...

Gut specific cysteine proteinase

AlphaFold DB , UniProt , Accession A0A077ZGS3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 360 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
1M42.8Very low49.3Very low234 Ų234141.9 Ų141.9100%1.15373%0.729SS**  0102.40-87.8157.868.100108.9M3M1-M3 PolarHBondContact O-N 3.09Å
2K41.4Very low49.3Very low204 Ų204139.3 Ų139.389%0.88772%0.716SS**  trans-76.5109167.4-80-179.7175.8178.60106.6L4K2-L4 PolarHBondContact O-N 3.43Å
3M48.6Very low49.2Very low176 Ų176135.5 Ų135.587%0.86770%0.703SS**  trans-60.3108.6170.8-73-179.8-17700107.5M1 N5M1-M3 PolarHBondContact O-N 3.09Å; M3-N5 PolarHBondContact O-N 2.77Å
4L48.1Very low48.8Very low163 Ų163132.6 Ų132.685%0.85369%0.694SS**  trans-66.3120.7166-83.9109.8000107.5K2 L6K2-L4 PolarHBondContact O-N 3.43Å; L4-L6 PolarHBondContact O-N 2.71Å
5N49Very low48.7Very low124 Ų124129.5 Ų129.566%0.66369%0.688SS**  trans-55.1122.5-176.7-106.5-19.2000111.2M3 S7 T8M3-N5 PolarHBondContact O-N 2.77Å; N5-S7 PolarHBondContact O-N 2.98Å; N5-T8 PolarHBondContact O-N 3.46Å; N5-T8 PolarHBondContact O-OG1 3.13Å
6L54.7Low48.6Very low144 Ų144130.1 Ų130.175%0.75469%0.69SS**Hα-helixtrans-55.6-22176.2-157.766000112.9L4 T8 F9 V10L4-L6 PolarHBondContact O-N 2.71Å; L6-T8 PolarHBondContact O-N 3.13Å; L6-F9 PolarHBondContact O-N 3.22Å; L6-V10 PolarHBondContact O-N 2.99Å
7S53.2Low48.5Very low74 Ų74127 Ų12752%0.51769%0.687SS.*Hα-helixtrans-69.5-28.7-178.5110.30000113.8N5 F9 L11N5-S7 PolarHBondContact O-N 2.98Å; S7-F9 VanDerWaalsContact C-N 3.33Å; S7-L11 PolarHBondContact O-N 3.19Å
8T52.7Low48.7Very low76 Ų76128.1 Ų128.147%0.46669%0.693SS.*Hα-helixtrans-74.7-28.1177.344.30000111.7N5 L6 I12N5-T8 PolarHBondContact O-N 3.46Å; N5-T8 PolarHBondContact O-OG1 3.13Å; L6-T8 PolarHBondContact O-N 3.13Å; T8-I12 WeakPolarHBondContact O-CG1 3.38Å; T8-I12 PolarHBondContact O-N 2.73Å
9F51.7Low49.2Very low151 Ų151124 Ų12466%0.66268%0.678SS**Hα-helixtrans-71.1-37.9177-130.8-91.8000111.8L6 S7 L11 I12 V13L6-F9 PolarHBondContact O-N 3.22Å; S7-F9 VanDerWaalsContact C-N 3.33Å; F9-L11 PolarHBondContact O-N 3.19Å; F9-I12 PolarHBondContact O-N 2.99Å; F9-V13 HydrophobicContact CD1-CG2 4.47Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 3.44Å
10V51.9Low50.7Low91 Ų91119 Ų11955%0.55265%0.654SS**Hα-helixtrans-66.9-36.7177.1179.60000111.6L6 I12 V13 V14L6-V10 PolarHBondContact O-N 2.99Å; V10-I12 PolarHBondContact O-N 2.88Å; V10-V13 PolarHBondContact O-N 3.26Å; V10-V14 WeakPolarHBondContact O-CG2 3.37Å; V10-V14 PolarHBondContact O-N 2.72Å
11L48.6Very low52.7Low124 Ų124115.4 Ų115.465%0.64963%0.631SS**Hα-helixtrans-68.2-30.9177.5-89.9153.5000113.6S7 F9S7-L11 PolarHBondContact O-N 3.19Å; F9-L11 PolarHBondContact O-N 3.19Å
12I48.9Very low55.2Low110 Ų110104.4 Ų104.456%0.56458%0.576SS**Hα-helixtrans-79.7-29.7178.2-64.1170000111.6T8 F9 V10 S15T8-I12 WeakPolarHBondContact O-CG1 3.38Å; T8-I12 PolarHBondContact O-N 2.73Å; F9-I12 PolarHBondContact O-N 2.99Å; V10-I12 PolarHBondContact O-N 2.88Å; I12-S15 PolarHBondContact O-OG 3.49Å
13V47.7Very low57.7Low91 Ų9196.4 Ų96.455%0.55254%0.542SS*.Hα-helixtrans-76.5-30.1178.1178.40000111.8F9 V10F9-V13 HydrophobicContact CD1-CG2 4.47Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 3.44Å; V10-V13 PolarHBondContact O-N 3.26Å
14V43.4Very low60Low94 Ų9492.9 Ų92.957%0.5752%0.524SS*.Hα-helixtrans-75.6-24.4179.2176.10000113V10V10-V14 WeakPolarHBondContact O-CG2 3.37Å; V10-V14 PolarHBondContact O-N 2.72Å
15S47.3Very low62.3Low87 Ų8786.8 Ų86.861%0.60849%0.489SS*.Hα-helixtrans-76.7-20.4178.863.30000114.2I12I12-S15 PolarHBondContact O-OG 3.49Å
16L47.5Very low64.6Low138 Ų13882 Ų8272%0.72346%0.462SS*.Hα-helixtrans-84.5-18.8178-72.4169.8000113.7N18L16-N18 VanDerWaalsContact C-N 3.3Å; L16-N18 PolarHBondContact O-N 3.01Å
17A47.7Very low66.5Low78 Ų7879 Ų7965%0.64544%0.444SS*.THydrogen-bonded Turntrans-76.9-9.8-173.200000114.9
18N51.2Low68.6Low147 Ų14778.1 Ų78.179%0.78643%0.432SS*.THydrogen-bonded Turntrans-12416.6-175.6-76.9-22.9000114.2L16 A20L16-N18 VanDerWaalsContact C-N 3.3Å; L16-N18 PolarHBondContact O-N 3.01Å; N18-A20 PolarHBondContact O-N 2.72Å
19A58.1Low70.6Confident50 Ų5074.5 Ų74.541%0.41341%0.41SS..  trans-62.2123.1167.800000107.9E23A19-E23 HydrophobicContact CB-CB 4.49Å
20A79.4Confident72.7Confident23 Ų2371.1 Ų71.119%0.1940%0.396CS..  trans-62.7157.7177.600000109.6N18 Y22 E23 Q24 N55N18-A20 PolarHBondContact O-N 2.72Å; A20-Y22 PolarHBondContact O-N 3.16Å; A20-Y22 VanDerWaalsContact O-N 3.08Å; A20-E23 VanDerWaalsContact CB-OE2 3.32Å; A20-E23 WeakPolarHBondContact CB-OE2 3.41Å; A20-E23 PolarHBondContact O-N 3.45Å; A20-Q24 PolarHBondContact O-N 2.95Å; A20-Q24 VanDerWaalsContact O-N 3.14Å; A20-N55 VanDerWaalsContact CB-CA 3.48Å; A20-N55 HydrophobicContact CB-CB 4.32Å; A20-N55 VanDerWaalsContact CB-O 3.28Å; A20-N55 WeakPolarHBondContact CB-O 3.18Å
21Y93.1Very high74.7Confident45 Ų4572.8 Ų72.818%0.17639%0.393CS..Hα-helixtrans-47.4-43.9-175.5167.2-97.4000112.1Q24 R25 K58 I61 E283 L301Y21-Q24 PolarHBondContact O-N 3.03Å; Y21-R25 HydrophobicContact CD1-CG 4.34Å; Y21-R25 HydrophobicContact CD2-CG 3.88Å; Y21-R25 HydrophobicContact CE1-CG 4.06Å; Y21-R25 HydrophobicContact CE2-CG 3.52Å; Y21-R25 HydrophobicContact CG-CG 4.27Å; Y21-R25 WeakPolarHBondContact O-CB 3.26Å; Y21-R25 WeakPolarHBondContact O-CG 3.23Å; Y21-R25 PolarHBondContact O-N 2.8Å; Y21-K58 VanDerWaalsContact CD1-CA 3.5Å; Y21-K58 HydrophobicContact CD1-CB 3.72Å; Y21-K58 HydrophobicContact CD1-CG 4.4Å; Y21-K58 HydrophobicContact CD2-CB 3.88Å; Y21-K58 HydrophobicContact CE1-CB 3.69Å; Y21-K58 HydrophobicContact CE1-CD 4.49Å; Y21-K58 HydrophobicContact CE1-CG 3.84Å; Y21-K58 HydrophobicContact CE2-CB 3.88Å; Y21-K58 HydrophobicContact CE2-CD 3.91Å; Y21-K58 HydrophobicContact CE2-CG 4.08Å; Y21-K58 HydrophobicContact CG-CB 3.8Å; Y21-I61 HydrophobicContact CD1-CD1 3.76Å; Y21-I61 HydrophobicContact CE1-CD1 3.92Å; Y21-E283 PolarHBondContact OH-OE1 3.27Å; Y21-L301 WeakPolarHBondContact OH-CD2 3.37Å
22Y94.6Very high76.9Confident2 Ų271.1 Ų71.11%0.00838%0.38CS..Hα-helixtrans-58.4-48.2178.3179.4-112.3000113.8A20 R25 Y26 N50 F53 K56 I61 L286 Y287A20-Y22 PolarHBondContact O-N 3.16Å; A20-Y22 VanDerWaalsContact O-N 3.08Å; Y22-R25 PolarHBondContact O-N 3.49Å; Y22-Y26 PolarHBondContact O-N 2.87Å; Y22-Y26 VanDerWaalsContact O-N 3.15Å; Y22-N50 WeakPolarHBondContact OH-CA 3.47Å; Y22-N50 PolarHBondContact OH-N 3.45Å; Y22-N50 PolarHBondContact OH-O 2.99Å; Y22-F53 WeakPolarHBondContact CB-O 3.1Å; Y22-F53 HydrophobicContact CD1-CB 3.97Å; Y22-F53 VanDerWaalsContact CD1-O 3.27Å; Y22-F53 WeakPolarHBondContact CD1-O 3.31Å; Y22-F53 HydrophobicContact CD2-CB 3.48Å; Y22-F53 VanDerWaalsContact CD2-CB 3.48Å; Y22-F53 HydrophobicContact CD2-CG 4.31Å; Y22-F53 HydrophobicContact CE1-CB 3.84Å; Y22-F53 HydrophobicContact CE2-CB 3.34Å; Y22-F53 HydrophobicContact CE2-CD2 4Å; Y22-F53 AromaticContact CE2-CG 3.98Å; Y22-F53 HydrophobicContact CE2-CG 3.98Å; Y22-F53 HydrophobicContact CG-CB 3.79Å; Y22-K56 PolarHBondContact N-O 3.39Å; Y22-I61 HydrophobicContact CD2-CD1 4.46Å; Y22-L286 HydrophobicContact CD2-CB 4.45Å; Y22-L286 HydrophobicContact CD2-CD1 4.3Å; Y22-L286 HydrophobicContact CE2-CB 3.96Å; Y22-Y287 HydrophobicContact CD2-CD1 4.33Å; Y22-Y287 AromaticContact CD2-CE1 3.43Å; Y22-Y287 HydrophobicContact CD2-CE1 3.43Å; Y22-Y287 VanDerWaalsContact CD2-CE1 3.43Å; Y22-Y287 AromaticContact CD2-CZ 3.68Å; Y22-Y287 WeakPolarHBondContact CD2-OH 3.46Å; Y22-Y287 HydrophobicContact CE1-CE1 4.16Å; Y22-Y287 AromaticContact CE2-CD1 3.43Å; Y22-Y287 HydrophobicContact CE2-CD1 3.43Å; Y22-Y287 VanDerWaalsContact CE2-CD1 3.43Å; Y22-Y287 AromaticContact CE2-CE1 2.94Å; Y22-Y287 HydrophobicContact CE2-CE1 2.94Å; Y22-Y287 HydrophobicContact CE2-CG 4.45Å; Y22-Y287 AromaticContact CE2-CZ 3.58Å; Y22-Y287 HydrophobicContact CG-CE1 4.2Å; Y22-Y287 AromaticContact CZ-CD1 3.62Å; Y22-Y287 AromaticContact CZ-CE1 3.37Å; Y22-Y287 PolarHBondContact O-OH 3.01Å
23E95.3Very high78.9Confident36 Ų3666.3 Ų66.317%0.16836%0.355CS..Hα-helixtrans-67.6-41.6-179.9-72.971.2-15800111.7A19 A20 R25 Y26 E27 K54 N55A19-E23 HydrophobicContact CB-CB 4.49Å; A20-E23 VanDerWaalsContact CB-OE2 3.32Å; A20-E23 WeakPolarHBondContact CB-OE2 3.41Å; A20-E23 PolarHBondContact O-N 3.45Å; E23-R25 PolarHBondContact O-N 3.46Å; E23-Y26 WeakPolarHBondContact O-CB 3.48Å; E23-Y26 PolarHBondContact O-N 3.1Å; E23-E27 PolarHBondContact O-N 3.44Å; E23-K54 WeakPolarHBondContact OE1-CA 3.39Å; E23-N55 PolarHBondContact OE1-N 3.34Å; E23-N55 PolarHBondContact OE2-N 2.78Å
24Q95.5Very high81Confident103 Ų10370 Ų7048%0.48136%0.359SS..Hα-helixtrans-61.8-44.8177.3-176.8-173.6-20.500111.5A20 Y21 Y26 E27 E28A20-Q24 PolarHBondContact O-N 2.95Å; A20-Q24 VanDerWaalsContact O-N 3.14Å; Y21-Q24 PolarHBondContact O-N 3.03Å; Q24-Y26 VanDerWaalsContact C-N 3.3Å; Q24-Y26 PolarHBondContact O-N 2.8Å; Q24-E27 PolarHBondContact O-N 2.03Å; Q24-E28 PolarHBondContact NE2-OE1 3.1Å; Q24-E28 PolarHBondContact O-N 3.47Å
25R96.4Very high83.2Confident34 Ų3470.7 Ų70.713%0.12836%0.359CS..Hα-helixtrans-63.6-34.2179.9-74.1-50.1-54.8167.51112.5Y21 Y22 E23 E28 L29 E283 Y287Y21-R25 HydrophobicContact CD1-CG 4.34Å; Y21-R25 HydrophobicContact CD2-CG 3.88Å; Y21-R25 HydrophobicContact CE1-CG 4.06Å; Y21-R25 HydrophobicContact CE2-CG 3.52Å; Y21-R25 HydrophobicContact CG-CG 4.27Å; Y21-R25 WeakPolarHBondContact O-CB 3.26Å; Y21-R25 WeakPolarHBondContact O-CG 3.23Å; Y21-R25 PolarHBondContact O-N 2.8Å; Y22-R25 PolarHBondContact O-N 3.49Å; E23-R25 PolarHBondContact O-N 3.46Å; R25-E28 IonicContact CZ-OE2 3.56Å; R25-E28 IonicContact NH1-OE2 2.6Å; R25-E28 PolarHBondContact NH1-OE2 3.2Å; R25-E28 PolarHBondContact O-N 2.93Å; R25-L29 WeakPolarHBondContact O-CB 3.33Å; R25-L29 WeakPolarHBondContact O-CG 3.32Å; R25-L29 PolarHBondContact O-N 2.99Å; R25-E283 IonicContact CZ-OE1 3.29Å; R25-E283 IonicContact CZ-OE2 3.32Å; R25-E283 VanDerWaalsContact CZ-OE2 3.28Å; R25-E283 IonicContact NE-OE1 3.97Å; R25-E283 PolarHBondContact NE-OE1 3.41Å; R25-E283 IonicContact NE-OE2 2.75Å; R25-E283 PolarHBondContact NE-OE2 3.32Å; R25-E283 IonicContact NH2-OE1 2.79Å; R25-E283 IonicContact NH2-OE2 3.76Å; R25-E283 PolarHBondContact NH2-OE2 2.82Å; R25-Y287 WeakPolarHBondContact CB-OH 3.36Å
26Y96.9Very high85.1Confident23 Ų2368.6 Ų68.69%0.0934%0.341CS..Hα-helixtrans-58.6-52.9174.6-179.4-88.8000111.3Y22 E23 Q24 E28 L29 E30 L47 K49 Y287Y22-Y26 PolarHBondContact O-N 2.87Å; Y22-Y26 VanDerWaalsContact O-N 3.15Å; E23-Y26 WeakPolarHBondContact O-CB 3.48Å; E23-Y26 PolarHBondContact O-N 3.1Å; Q24-Y26 VanDerWaalsContact C-N 3.3Å; Q24-Y26 PolarHBondContact O-N 2.8Å; Y26-E28 PolarHBondContact O-N 3.08Å; Y26-L29 PolarHBondContact O-N 3.09Å; Y26-E30 HydrophobicContact CD1-CB 4.4Å; Y26-E30 HydrophobicContact CE1-CB 4.08Å; Y26-E30 VanDerWaalsContact CE1-CD 3.45Å; Y26-E30 HydrophobicContact CE1-CG 4.29Å; Y26-E30 VanDerWaalsContact CE1-OE1 3.31Å; Y26-E30 WeakPolarHBondContact CE1-OE1 3.28Å; Y26-E30 VanDerWaalsContact O-CB 3.32Å; Y26-E30 WeakPolarHBondContact O-CB 3.3Å; Y26-E30 PolarHBondContact O-N 2.9Å; Y26-E30 PolarHBondContact OH-OE1 2.85Å; Y26-L47 HydrophobicContact CD2-CD2 4.09Å; Y26-L47 HydrophobicContact CD2-CG 4.29Å; Y26-L47 HydrophobicContact CE2-CD2 3.66Å; Y26-L47 HydrophobicContact CE2-CG 3.74Å; Y26-K49 HydrophobicContact CD1-CD 4.26Å; Y26-K49 HydrophobicContact CD1-CG 4.18Å; Y26-K49 HydrophobicContact CD2-CD 4.47Å; Y26-K49 HydrophobicContact CD2-CG 3.56Å; Y26-K49 VanDerWaalsContact CE1-CE 3.46Å; Y26-K49 HydrophobicContact CE1-CG 4.32Å; Y26-K49 HydrophobicContact CE2-CG 3.69Å; Y26-K49 HydrophobicContact CG-CD 4.25Å; Y26-K49 HydrophobicContact CG-CG 3.81Å; Y26-Y287 AromaticContact CD2-CD1 3.46Å; Y26-Y287 HydrophobicContact CD2-CD1 3.46Å; Y26-Y287 VanDerWaalsContact CD2-CD1 3.46Å; Y26-Y287 AromaticContact CD2-CE1 3.79Å; Y26-Y287 HydrophobicContact CD2-CE1 3.79Å; Y26-Y287 AromaticContact CD2-CG 3.97Å; Y26-Y287 HydrophobicContact CD2-CG 3.97Å; Y26-Y287 HydrophobicContact CE2-CD1 4.36Å; Y26-Y287 HydrophobicContact CG-CD1 4.29Å; Y26-Y287 HydrophobicContact CG-CE1 4.17Å; Y26-Y287 PolarHBondContact N-OH 3.07Å
27E96.2Very high86.5Confident81 Ų8164.8 Ų64.838%0.37933%0.326SS..Hα-helixtrans-62.4-33.1-176.7-58.2-60.2144.300111.9E23 Q24 R31 K49E23-E27 PolarHBondContact O-N 3.44Å; Q24-E27 PolarHBondContact O-N 2.03Å; E27-R31 WeakPolarHBondContact O-CB 3.4Å; E27-R31 PolarHBondContact O-N 3.5Å; E27-R31 PolarHBondContact O-NH1 3.32Å; E27-K49 IonicContact OE1-NZ 2.67Å; E27-K49 PolarHBondContact OE1-NZ 3.46Å
28E96Very high87.8Confident56 Ų5667.5 Ų67.526%0.26233%0.33SS..Hα-helixtrans-69.7-45.7174.7-71-176.4-148.800113.1Q24 R25 Y26 K32Q24-E28 PolarHBondContact NE2-OE1 3.1Å; Q24-E28 PolarHBondContact O-N 3.47Å; R25-E28 IonicContact CZ-OE2 3.56Å; R25-E28 IonicContact NH1-OE2 2.6Å; R25-E28 PolarHBondContact NH1-OE2 3.2Å; R25-E28 PolarHBondContact O-N 2.93Å; Y26-E28 PolarHBondContact O-N 3.08Å; E28-K32 WeakPolarHBondContact O-CG 3.28Å; E28-K32 PolarHBondContact O-N 3.05Å
29L95.7Very high88.5Confident0 Ų064.8 Ų64.80%032%0.322CS..Hα-helixtrans-71.7-43-179.5-68.8171.3000111.6R25 Y26 R31 K32 F33 E283 D284 Y287 F297R25-L29 WeakPolarHBondContact O-CB 3.33Å; R25-L29 WeakPolarHBondContact O-CG 3.32Å; R25-L29 PolarHBondContact O-N 2.99Å; Y26-L29 PolarHBondContact O-N 3.09Å; L29-R31 PolarHBondContact O-N 3.33Å; L29-K32 WeakPolarHBondContact O-CA 3.46Å; L29-K32 WeakPolarHBondContact O-CB 2.94Å; L29-K32 PolarHBondContact O-N 3.12Å; L29-F33 HydrophobicContact CB-CD2 4.41Å; L29-F33 HydrophobicContact CB-CE2 4.4Å; L29-F33 WeakPolarHBondContact O-CD2 3.5Å; L29-F33 PolarHBondContact O-N 3.37Å; L29-E283 HydrophobicContact CD1-CB 4.13Å; L29-D284 HydrophobicContact CD1-CB 4.26Å; L29-Y287 HydrophobicContact CD1-CD2 3.84Å; L29-Y287 HydrophobicContact CD1-CE2 3.54Å; L29-F297 HydrophobicContact CD2-CB 3.62Å
30E94.7Very high88.6Confident81 Ų8170.2 Ų70.238%0.37934%0.344SS..Hα-helixtrans-55.6-42.4176.5-172.1178.7-11900111.1Y26 K32 F33 R34 L47Y26-E30 HydrophobicContact CD1-CB 4.4Å; Y26-E30 HydrophobicContact CE1-CB 4.08Å; Y26-E30 VanDerWaalsContact CE1-CD 3.45Å; Y26-E30 HydrophobicContact CE1-CG 4.29Å; Y26-E30 VanDerWaalsContact CE1-OE1 3.31Å; Y26-E30 WeakPolarHBondContact CE1-OE1 3.28Å; Y26-E30 VanDerWaalsContact O-CB 3.32Å; Y26-E30 WeakPolarHBondContact O-CB 3.3Å; Y26-E30 PolarHBondContact O-N 2.9Å; Y26-E30 PolarHBondContact OH-OE1 2.85Å; E30-K32 PolarHBondContact O-N 3.13Å; E30-F33 PolarHBondContact O-N 3.39Å; E30-R34 WeakPolarHBondContact O-CB 3.35Å; E30-R34 PolarHBondContact O-N 2.65Å; E30-L47 HydrophobicContact CB-CD2 3.7Å; E30-L47 HydrophobicContact CG-CD2 4.18Å
31R94.4Very high88Confident126 Ų12671.2 Ų71.248%0.47535%0.35SS..Hα-helixtrans-60.4-43.4174.2-171.2-176.3-55.8968.6112.3E27 L29 R34 L35E27-R31 WeakPolarHBondContact O-CB 3.4Å; E27-R31 PolarHBondContact O-N 3.5Å; E27-R31 PolarHBondContact O-NH1 3.32Å; L29-R31 PolarHBondContact O-N 3.33Å; R31-R34 PolarHBondContact O-N 3.32Å; R31-L35 HydrophobicContact CG-CD1 4.36Å; R31-L35 VanDerWaalsContact O-CG 3.32Å; R31-L35 WeakPolarHBondContact O-CG 3.42Å; R31-L35 PolarHBondContact O-N 2.82Å; R31-L35 VanDerWaalsContact O-N 3.11Å
32K94Very high87.2Confident89 Ų8976.9 Ų76.939%0.38738%0.378SS..Hα-helixtrans-64-46.6177.5-70.7179.5177.4-175.40111.4E28 L29 E30 R34 L35 D36 F297E28-K32 WeakPolarHBondContact O-CG 3.28Å; E28-K32 PolarHBondContact O-N 3.05Å; L29-K32 WeakPolarHBondContact O-CA 3.46Å; L29-K32 WeakPolarHBondContact O-CB 2.94Å; L29-K32 PolarHBondContact O-N 3.12Å; E30-K32 PolarHBondContact O-N 3.13Å; K32-R34 VanDerWaalsContact C-N 3.34Å; K32-R34 PolarHBondContact O-N 3.48Å; K32-L35 PolarHBondContact O-N 2.71Å; K32-D36 WeakPolarHBondContact O-CB 3.39Å; K32-D36 PolarHBondContact O-N 3.1Å; K32-F297 HydrophobicContact CB-CD1 4.43Å; K32-F297 HydrophobicContact CB-CD2 3.88Å; K32-F297 HydrophobicContact CB-CE2 3.95Å; K32-F297 HydrophobicContact CB-CG 4.14Å; K32-F297 HydrophobicContact CB-CZ 4.27Å; K32-F297 HydrophobicContact CD-CB 4.35Å; K32-F297 HydrophobicContact CD-CD1 4.19Å; K32-F297 HydrophobicContact CD-CG 4.2Å
33F92.5Very high86.8Confident8 Ų879.9 Ų79.94%0.03539%0.393CS..Hα-helixtrans-61.9-39.4177.4-80.6-73000113L29 E30 D36 S37 M43 W45 L47 D284 K296 F297L29-F33 HydrophobicContact CB-CD2 4.41Å; L29-F33 HydrophobicContact CB-CE2 4.4Å; L29-F33 WeakPolarHBondContact O-CD2 3.5Å; L29-F33 PolarHBondContact O-N 3.37Å; E30-F33 PolarHBondContact O-N 3.39Å; F33-D36 PolarHBondContact O-N 3.46Å; F33-S37 WeakPolarHBondContact O-CB 3.04Å; F33-S37 PolarHBondContact O-N 2.86Å; F33-S37 PolarHBondContact O-OG 2.8Å; F33-M43 HydrophobicContact CD1-SD 3.36Å; F33-M43 WeakPolarHBondContact CD1-SD 3.47Å; F33-M43 HydrophobicContact CE1-SD 3.67Å; F33-M43 HydrophobicContact CG-SD 4.13Å; F33-W45 HydrophobicContact CE1-CZ2 4.08Å; F33-W45 HydrophobicContact CE2-CH2 4.28Å; F33-W45 HydrophobicContact CE2-CZ2 4.39Å; F33-W45 AromaticContact CZ-CH2 3.91Å; F33-W45 HydrophobicContact CZ-CH2 3.91Å; F33-W45 AromaticContact CZ-CZ2 3.58Å; F33-W45 HydrophobicContact CZ-CZ2 3.58Å; F33-L47 HydrophobicContact CD2-CD1 4.28Å; F33-L47 HydrophobicContact CD2-CD2 4.38Å; F33-L47 HydrophobicContact CE2-CD1 4.07Å; F33-D284 HydrophobicContact CE2-CB 4.16Å; F33-D284 HydrophobicContact CZ-CB 4.2Å; F33-K296 HydrophobicContact CD1-CD 4.12Å; F33-K296 HydrophobicContact CE1-CB 3.9Å; F33-K296 HydrophobicContact CE1-CD 3.65Å; F33-K296 HydrophobicContact CE1-CG 4.29Å; F33-K296 HydrophobicContact CZ-CB 4.05Å; F33-F297 HydrophobicContact CD1-CD2 4.01Å; F33-F297 HydrophobicContact CD1-CE2 4.06Å; F33-F297 HydrophobicContact CD2-CD2 4.05Å; F33-F297 AromaticContact CE1-CD2 3.89Å; F33-F297 HydrophobicContact CE1-CD2 3.89Å; F33-F297 HydrophobicContact CE1-CE2 4.25Å; F33-F297 HydrophobicContact CE2-CB 4.48Å; F33-F297 AromaticContact CE2-CD2 3.89Å; F33-F297 HydrophobicContact CE2-CD2 3.89Å; F33-F297 HydrophobicContact CG-CD2 4.09Å; F33-F297 HydrophobicContact CG-CE2 4.28Å; F33-F297 AromaticContact CZ-CD2 3.8Å; F33-F297 HydrophobicContact CZ-CD2 3.8Å
34R90.7Very high86.7Confident169 Ų16979.8 Ų79.864%0.63840%0.395SS*.Hα-helixtrans-64.7-42.4176.2-172.8-176.666.6161.31.5112.1E30 R31 K32 D36E30-R34 WeakPolarHBondContact O-CB 3.35Å; E30-R34 PolarHBondContact O-N 2.65Å; R31-R34 PolarHBondContact O-N 3.32Å; K32-R34 VanDerWaalsContact C-N 3.34Å; K32-R34 PolarHBondContact O-N 3.48Å; R34-D36 VanDerWaalsContact C-N 3.34Å
35L90.7Very high86.7Confident109 Ų10975.6 Ų75.657%0.57137%0.374SS*.Hα-helixtrans-67-37.6177.6-70.8172000111.8R31 K32R31-L35 HydrophobicContact CG-CD1 4.36Å; R31-L35 VanDerWaalsContact O-CG 3.32Å; R31-L35 WeakPolarHBondContact O-CG 3.42Å; R31-L35 PolarHBondContact O-N 2.82Å; R31-L35 VanDerWaalsContact O-N 3.11Å; K32-L35 PolarHBondContact O-N 2.71Å
36D86.9Confident86.7Confident42 Ų4275.8 Ų75.823%0.22538%0.381CS..Hα-helixtrans-75-34.7180-171.6110.3000113.3K32 F33 R34 N38 S39 S41 K296 F297K32-D36 WeakPolarHBondContact O-CB 3.39Å; K32-D36 PolarHBondContact O-N 3.1Å; F33-D36 PolarHBondContact O-N 3.46Å; R34-D36 VanDerWaalsContact C-N 3.34Å; D36-N38 PolarHBondContact O-N 2.8Å; D36-S39 WeakPolarHBondContact O-CA 3.35Å; D36-S39 WeakPolarHBondContact O-CB 3.42Å; D36-S39 PolarHBondContact O-N 3.24Å; D36-S41 PolarHBondContact OD2-OG 3.33Å; D36-K296 VanDerWaalsContact CG-NZ 3.27Å; D36-K296 WeakPolarHBondContact OD1-CE 3.24Å; D36-K296 IonicContact OD1-NZ 3.73Å; D36-K296 WeakPolarHBondContact OD2-CE 3.47Å; D36-K296 IonicContact OD2-NZ 2.68Å; D36-K296 PolarHBondContact OD2-NZ 2.91Å; D36-F297 HydrophobicContact CB-CE2 4.08Å; D36-F297 HydrophobicContact CB-CZ 3.92Å
37S77.2Confident86.6Confident59 Ų5976 Ų7641%0.41338%0.384SS..Hα-helixtrans-57.1-25.5175.1-61.10000112.9F33 S39F33-S37 WeakPolarHBondContact O-CB 3.04Å; F33-S37 PolarHBondContact O-N 2.86Å; F33-S37 PolarHBondContact O-OG 2.8Å; S37-S39 PolarHBondContact O-N 3.37Å
38N73.7Confident86.6Confident135 Ų13574.9 Ų74.972%0.72238%0.383SS*.THydrogen-bonded Turntrans-73.3-6.4173.7-65.6-23.8000113.5D36D36-N38 PolarHBondContact O-N 2.8Å
39S66.4Low86.6Confident89 Ų8976.5 Ų76.562%0.62239%0.389SS*.THydrogen-bonded Turntrans-98.319.8-178.7-169.70000113.6D36 S37 S41D36-S39 WeakPolarHBondContact O-CA 3.35Å; D36-S39 WeakPolarHBondContact O-CB 3.42Å; D36-S39 PolarHBondContact O-N 3.24Å; S37-S39 PolarHBondContact O-N 3.37Å; S39-S41 PolarHBondContact O-N 3.05Å
40N60.5Low86.6Confident164 Ų16476.7 Ų76.788%0.87739%0.39SS*.THydrogen-bonded Turntrans63.412.4-177.8-77.3-11.8000116.3
41S66.9Low86.5Confident44 Ų4475.2 Ų75.231%0.30839%0.387SS..  trans-82.8120.5173.586.80000110.5D36 S39 M43 K296D36-S41 PolarHBondContact OD2-OG 3.33Å; S39-S41 PolarHBondContact O-N 3.05Å; S41-M43 PolarHBondContact O-N 3.18Å; S41-K296 PolarHBondContact OG-NZ 3.07Å
42Q75.5Confident86.4Confident165 Ų16569.4 Ų69.477%0.77137%0.365SS*.  trans-80.2109.6177.5-170.9172.916.900109.7T44Q42-T44 PolarHBondContact O-N 2.86Å
43M86.5Confident86.4Confident65 Ų6565.2 Ų65.232%0.3235%0.347SS..  trans-67.5128.4171.6-162.6170.659.600109.7F33 S41 W45F33-M43 HydrophobicContact CD1-SD 3.36Å; F33-M43 WeakPolarHBondContact CD1-SD 3.47Å; F33-M43 HydrophobicContact CE1-SD 3.67Å; F33-M43 HydrophobicContact CG-SD 4.13Å; S41-M43 PolarHBondContact O-N 3.18Å; M43-W45 WeakPolarHBondContact CE-O 3.37Å; M43-W45 VanDerWaalsContact CG-O 3.22Å; M43-W45 WeakPolarHBondContact CG-O 3.4Å
44T93.7Very high86.4Confident34 Ų3469.4 Ų69.421%0.20937%0.365CS..SBendtrans-91.7-4.5-176.551.20000113.6Q42 G291 V292 Q294 V317Q42-T44 PolarHBondContact O-N 2.86Å; T44-G291 CarbonylContact O-C 3Å; T44-G291 WeakPolarHBondContact O-CA 3.36Å; T44-V292 WeakPolarHBondContact CB-O 3.22Å; T44-V292 PolarHBondContact O-N 3.01Å; T44-V292 PolarHBondContact OG1-O 3.33Å; T44-Q294 PolarHBondContact OG1-NE2 2.82Å; T44-V317 HydrophobicContact CG2-CG2 3.97Å
45W96.1Very high86.5Confident14 Ų1465.9 Ų65.95%0.05336%0.359CS..EExtended strand (participates in β ladder)trans-138.9169.618062.2-83.8000110.6F33 M43 L47 D284 Y288 K290 Y293 Q294F33-W45 HydrophobicContact CE1-CZ2 4.08Å; F33-W45 HydrophobicContact CE2-CH2 4.28Å; F33-W45 HydrophobicContact CE2-CZ2 4.39Å; F33-W45 AromaticContact CZ-CH2 3.91Å; F33-W45 HydrophobicContact CZ-CH2 3.91Å; F33-W45 AromaticContact CZ-CZ2 3.58Å; F33-W45 HydrophobicContact CZ-CZ2 3.58Å; M43-W45 WeakPolarHBondContact CE-O 3.37Å; M43-W45 VanDerWaalsContact CG-O 3.22Å; M43-W45 WeakPolarHBondContact CG-O 3.4Å; W45-L47 HydrophobicContact CH2-CD1 3.83Å; W45-L47 HydrophobicContact CZ3-CD1 3.85Å; W45-D284 HydrophobicContact CH2-CB 3.99Å; W45-D284 WeakPolarHBondContact CH2-O 3.25Å; W45-D284 HydrophobicContact CZ2-CB 4.25Å; W45-Y288 HydrophobicContact CB-CD2 4.42Å; W45-Y288 HydrophobicContact CB-CE2 4.29Å; W45-Y288 HydrophobicContact CE3-CD2 4.27Å; W45-K290 CarbonylContact C-O 3.58Å; W45-K290 WeakPolarHBondContact CA-O 3.35Å; W45-K290 VanDerWaalsContact CB-O 3.31Å; W45-K290 WeakPolarHBondContact CB-O 3.14Å; W45-Y293 HydrophobicContact CD2-CD2 4.03Å; W45-Y293 AromaticContact CE2-CD2 3.77Å; W45-Y293 HydrophobicContact CE3-CD2 4.42Å; W45-Y293 HydrophobicContact CG-CD2 4.46Å; W45-Y293 HydrophobicContact CH2-CD2 4.37Å; W45-Y293 HydrophobicContact CH2-CE2 4.22Å; W45-Y293 AromaticContact CZ2-CD2 3.95Å; W45-Y293 HydrophobicContact CZ2-CD2 3.95Å; W45-Y293 AromaticContact CZ2-CE2 3.83Å; W45-Y293 HydrophobicContact CZ2-CE2 3.83Å; W45-Q294 PolarHBondContact NE1-O 3.41Å
46S95.5Very high86.5Confident39 Ų3960.8 Ų60.827%0.27333%0.332SS..EExtended strand (participates in β ladder)trans-117.3141.5179.366.90000112.8G289 K290S46-G289 PolarHBondContact O-N 3.19Å; S46-K290 PolarHBondContact N-O 3.09Å; S46-K290 WeakPolarHBondContact OG-CG 3.33Å; S46-K290 PolarHBondContact OG-N 3.45Å
47L95.4Very high86.8Confident28 Ų2861 Ų6115%0.14734%0.337CS..EExtended strand (participates in β ladder)trans-78.7133.4172.6-15778.5000110.9Y26 E30 F33 W45 Y287Y26-L47 HydrophobicContact CD2-CD2 4.09Å; Y26-L47 HydrophobicContact CD2-CG 4.29Å; Y26-L47 HydrophobicContact CE2-CD2 3.66Å; Y26-L47 HydrophobicContact CE2-CG 3.74Å; E30-L47 HydrophobicContact CB-CD2 3.7Å; E30-L47 HydrophobicContact CG-CD2 4.18Å; F33-L47 HydrophobicContact CD2-CD1 4.28Å; F33-L47 HydrophobicContact CD2-CD2 4.38Å; F33-L47 HydrophobicContact CE2-CD1 4.07Å; W45-L47 HydrophobicContact CH2-CD1 3.83Å; W45-L47 HydrophobicContact CZ3-CD1 3.85Å; L47-Y287 CarbonylContact C-O 3.53Å; L47-Y287 WeakPolarHBondContact CA-O 3.34Å; L47-Y287 HydrophobicContact CD1-CD2 4.31Å; L47-Y287 HydrophobicContact CD1-CG 4.13Å
48T96.4Very high87.7Confident57 Ų5762 Ų6235%0.3533%0.334SS..  trans-148.4156.5172.1-170.80000111.3N50 Y287T48-N50 PolarHBondContact O-N 2.91Å; T48-Y287 PolarHBondContact N-O 3.37Å; T48-Y287 CarbonylContact O-C 3.51Å; T48-Y287 WeakPolarHBondContact O-CA 3.43Å; T48-Y287 VanDerWaalsContact O-CB 3.31Å; T48-Y287 WeakPolarHBondContact O-CB 3.19Å
49K95.4Very high88.6Confident89 Ų8958.8 Ų58.839%0.38733%0.327SS..  trans-81.6100.1170.4-67.7-178.5-176.1175.20109.2Y26 E27 P51Y26-K49 HydrophobicContact CD1-CD 4.26Å; Y26-K49 HydrophobicContact CD1-CG 4.18Å; Y26-K49 HydrophobicContact CD2-CD 4.47Å; Y26-K49 HydrophobicContact CD2-CG 3.56Å; Y26-K49 VanDerWaalsContact CE1-CE 3.46Å; Y26-K49 HydrophobicContact CE1-CG 4.32Å; Y26-K49 HydrophobicContact CE2-CG 3.69Å; Y26-K49 HydrophobicContact CG-CD 4.25Å; Y26-K49 HydrophobicContact CG-CG 3.81Å; E27-K49 IonicContact OE1-NZ 2.67Å; E27-K49 PolarHBondContact OE1-NZ 3.46Å; K49-P51 WeakPolarHBondContact O-CD 3.46Å
50N94.7Very high89.9Confident5 Ų556.2 Ų56.23%0.02731%0.305CS..  trans-66.7122.8169.9-71.2-63000111Y22 T48 Y52 F53 L286 Y288 F330 G331Y22-N50 WeakPolarHBondContact OH-CA 3.47Å; Y22-N50 PolarHBondContact OH-N 3.45Å; Y22-N50 PolarHBondContact OH-O 2.99Å; T48-N50 PolarHBondContact O-N 2.91Å; N50-Y52 PolarHBondContact O-N 3.39Å; N50-F53 HydrophobicContact CB-CD2 4.06Å; N50-F53 PolarHBondContact O-N 3.33Å; N50-L286 PolarHBondContact ND2-O 2.84Å; N50-Y288 PolarHBondContact ND2-O 2.98Å; N50-Y288 PolarHBondContact OD1-O 3.07Å; N50-F330 HydrophobicContact CB-CD2 4.23Å; N50-F330 WeakPolarHBondContact OD1-CA 3.32Å; N50-G331 PolarHBondContact OD1-N 3.38Å; N50-G331 VanDerWaalsContact OD1-N 3.14Å
51P93.5Very high91.6Very high50 Ų5048.4 Ų48.433%0.32526%0.263SS..G310 helixtrans-58.7-31.1-179.9-27.336.1000114.1K49 F53 K54K49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-F53 PolarHBondContact O-N 2.87Å; P51-K54 WeakPolarHBondContact O-CB 3.37Å; P51-K54 PolarHBondContact O-N 3.04Å
52Y92.9Very high92.9Very high4 Ų450.2 Ų50.22%0.01627%0.267CS..G310 helixtrans-52.9-30.5179-174.2-102.3000114.2N50 K56 L64 Q119 A120 W326 N327N50-Y52 PolarHBondContact O-N 3.39Å; Y52-K56 WeakPolarHBondContact O-CE 3.41Å; Y52-L64 HydrophobicContact CE1-CD1 3.72Å; Y52-Q119 WeakPolarHBondContact OH-CG 3.24Å; Y52-A120 PolarHBondContact OH-O 3.28Å; Y52-W326 HydrophobicContact CD1-CB 3.56Å; Y52-W326 HydrophobicContact CD1-CD2 4.4Å; Y52-W326 AromaticContact CD1-CG 3.8Å; Y52-W326 HydrophobicContact CD1-CG 3.8Å; Y52-W326 HydrophobicContact CD2-CB 4.18Å; Y52-W326 WeakPolarHBondContact CD2-O 3.4Å; Y52-W326 HydrophobicContact CE1-CB 3.42Å; Y52-W326 VanDerWaalsContact CE1-CB 3.42Å; Y52-W326 AromaticContact CE1-CD1 3.32Å; Y52-W326 HydrophobicContact CE1-CD2 4.1Å; Y52-W326 AromaticContact CE1-CG 3.32Å; Y52-W326 HydrophobicContact CE1-CG 3.32Å; Y52-W326 HydrophobicContact CE2-CB 4.1Å; Y52-W326 HydrophobicContact CG-CB 3.92Å; Y52-W326 AromaticContact CZ-CD1 3.58Å; Y52-W326 AromaticContact CZ-CG 3.83Å; Y52-N327 WeakPolarHBondContact CD2-ND2 3.28Å
53F93.5Very high93.8Very high1 Ų144 Ų440%0.00424%0.236CC..G310 helixtrans-101.30.9-178.9-60.8-65.4000114.6Y22 N50 P51 N55 K56 I61 L64 L286 W326 F330Y22-F53 WeakPolarHBondContact CB-O 3.1Å; Y22-F53 HydrophobicContact CD1-CB 3.97Å; Y22-F53 VanDerWaalsContact CD1-O 3.27Å; Y22-F53 WeakPolarHBondContact CD1-O 3.31Å; Y22-F53 HydrophobicContact CD2-CB 3.48Å; Y22-F53 VanDerWaalsContact CD2-CB 3.48Å; Y22-F53 HydrophobicContact CD2-CG 4.31Å; Y22-F53 HydrophobicContact CE1-CB 3.84Å; Y22-F53 HydrophobicContact CE2-CB 3.34Å; Y22-F53 HydrophobicContact CE2-CD2 4Å; Y22-F53 AromaticContact CE2-CG 3.98Å; Y22-F53 HydrophobicContact CE2-CG 3.98Å; Y22-F53 HydrophobicContact CG-CB 3.79Å; N50-F53 HydrophobicContact CB-CD2 4.06Å; N50-F53 PolarHBondContact O-N 3.33Å; P51-F53 PolarHBondContact O-N 2.87Å; F53-N55 PolarHBondContact O-N 2.94Å; F53-K56 HydrophobicContact CD1-CD 4.23Å; F53-K56 WeakPolarHBondContact O-CB 3.46Å; F53-K56 WeakPolarHBondContact O-CG 3.39Å; F53-K56 PolarHBondContact O-N 3.39Å; F53-I61 HydrophobicContact CD1-CG1 4.07Å; F53-L64 HydrophobicContact CD1-CD1 4.31Å; F53-L64 HydrophobicContact CE1-CD1 3.98Å; F53-L286 HydrophobicContact CD1-CD2 4.41Å; F53-L286 HydrophobicContact CD2-CB 4.15Å; F53-L286 WeakPolarHBondContact CD2-O 3.47Å; F53-L286 HydrophobicContact CE1-CD2 3.93Å; F53-L286 HydrophobicContact CE2-CB 4.16Å; F53-L286 HydrophobicContact CE2-CD2 4.05Å; F53-L286 HydrophobicContact CZ-CD2 3.71Å; F53-W326 HydrophobicContact CE1-CD2 4.4Å; F53-W326 HydrophobicContact CE1-CE3 4.45Å; F53-W326 HydrophobicContact CE2-CD2 4.42Å; F53-W326 AromaticContact CE2-CE3 3.77Å; F53-W326 HydrophobicContact CE2-CE3 3.77Å; F53-W326 AromaticContact CE2-CZ3 3.93Å; F53-W326 HydrophobicContact CE2-CZ3 3.93Å; F53-W326 AromaticContact CZ-CD2 3.63Å; F53-W326 HydrophobicContact CZ-CD2 3.63Å; F53-W326 AromaticContact CZ-CE3 3.32Å; F53-W326 HydrophobicContact CZ-CE3 3.32Å; F53-W326 HydrophobicContact CZ-CG 4.38Å; F53-W326 AromaticContact CZ-CH2 3.86Å; F53-W326 HydrophobicContact CZ-CH2 3.86Å; F53-W326 HydrophobicContact CZ-CZ2 4.13Å; F53-W326 AromaticContact CZ-CZ3 3.46Å; F53-W326 HydrophobicContact CZ-CZ3 3.46Å; F53-W326 VanDerWaalsContact CZ-CZ3 3.46Å; F53-F330 HydrophobicContact CE2-CD2 4.04Å; F53-F330 HydrophobicContact CE2-CE2 4.15Å
54K92.7Very high94.3Very high96 Ų9641 Ų4142%0.41722%0.221SC..THydrogen-bonded Turntrans-52.8132.3-175.9-174-179.1-179.3-178.10111.2E23 P51 K56E23-K54 WeakPolarHBondContact OE1-CA 3.39Å; P51-K54 WeakPolarHBondContact O-CB 3.37Å; P51-K54 PolarHBondContact O-N 3.04Å; K54-K56 PolarHBondContact O-N 2.94Å; K54-K56 VanDerWaalsContact O-N 3.15Å
55N91.7Very high94.5Very high95 Ų9540.1 Ų40.151%0.50822%0.215SC..THydrogen-bonded Turntrans60.211.1-179.6-58-37.1000116.2A20 E23 F53A20-N55 VanDerWaalsContact CB-CA 3.48Å; A20-N55 HydrophobicContact CB-CB 4.32Å; A20-N55 VanDerWaalsContact CB-O 3.28Å; A20-N55 WeakPolarHBondContact CB-O 3.18Å; E23-N55 PolarHBondContact OE1-N 3.34Å; E23-N55 PolarHBondContact OE2-N 2.78Å; F53-N55 PolarHBondContact O-N 2.94Å
56K91.9Very high94.6Very high2 Ų239.6 Ų39.61%0.00921%0.214CC..  trans-77.7139.7-179.2-68.4-172.6-175.7-670112.5Y22 Y52 F53 K54 E60 I61 L64 C207Y22-K56 PolarHBondContact N-O 3.39Å; Y52-K56 WeakPolarHBondContact O-CE 3.41Å; F53-K56 HydrophobicContact CD1-CD 4.23Å; F53-K56 WeakPolarHBondContact O-CB 3.46Å; F53-K56 WeakPolarHBondContact O-CG 3.39Å; F53-K56 PolarHBondContact O-N 3.39Å; K54-K56 PolarHBondContact O-N 2.94Å; K54-K56 VanDerWaalsContact O-N 3.15Å; K56-E60 HydrophobicContact CB-CB 4.22Å; K56-E60 HydrophobicContact CD-CB 4.5Å; K56-E60 HydrophobicContact CG-CB 4.43Å; K56-I61 HydrophobicContact CB-CD1 4.15Å; K56-I61 HydrophobicContact CB-CG1 3.86Å; K56-I61 HydrophobicContact CD-CG1 4.25Å; K56-L64 HydrophobicContact CD-CD1 4.11Å; K56-C207 PolarHBondContact NZ-SG 2.67Å
57S93.4Very high94.6Very high46 Ų4638.7 Ų38.732%0.32221%0.205SC..  trans-70.4163.4164.867.20000111.7A59 E60 I61S57-A59 VanDerWaalsContact C-N 3.28Å; S57-A59 PolarHBondContact O-N 2.85Å; S57-E60 VanDerWaalsContact CB-OE2 3.31Å; S57-E60 WeakPolarHBondContact CB-OE2 3.21Å; S57-E60 PolarHBondContact N-OE2 3.3Å; S57-E60 PolarHBondContact O-N 3Å; S57-E60 WeakPolarHBondContact OG-CB 3.32Å; S57-E60 VanDerWaalsContact OG-CG 3.3Å; S57-E60 WeakPolarHBondContact OG-CG 3.11Å; S57-E60 PolarHBondContact OG-N 3Å; S57-E60 PolarHBondContact OG-OE2 3.34Å; S57-I61 PolarHBondContact O-N 3.2Å
58K94.7Very high94.3Very high79 Ų7941 Ų4134%0.34322%0.217SC..Hα-helixtrans-56.6-43.8173.3-172.9174.9-179171.70111.8Y21 E60 I61 Q62 L301Y21-K58 VanDerWaalsContact CD1-CA 3.5Å; Y21-K58 HydrophobicContact CD1-CB 3.72Å; Y21-K58 HydrophobicContact CD1-CG 4.4Å; Y21-K58 HydrophobicContact CD2-CB 3.88Å; Y21-K58 HydrophobicContact CE1-CB 3.69Å; Y21-K58 HydrophobicContact CE1-CD 4.49Å; Y21-K58 HydrophobicContact CE1-CG 3.84Å; Y21-K58 HydrophobicContact CE2-CB 3.88Å; Y21-K58 HydrophobicContact CE2-CD 3.91Å; Y21-K58 HydrophobicContact CE2-CG 4.08Å; Y21-K58 HydrophobicContact CG-CB 3.8Å; K58-E60 PolarHBondContact O-N 3.11Å; K58-I61 PolarHBondContact O-N 3.17Å; K58-Q62 HydrophobicContact CG-CG 4.33Å; K58-Q62 WeakPolarHBondContact O-CB 3.29Å; K58-Q62 VanDerWaalsContact O-CG 3.3Å; K58-Q62 WeakPolarHBondContact O-CG 3.34Å; K58-Q62 PolarHBondContact O-N 3.48Å; K58-L301 HydrophobicContact CG-CD2 4.43Å
59A93.6Very high93.3Very high69 Ų6940.9 Ų40.957%0.5722%0.217SC*.Hα-helixtrans-63.1-42.1-179.800000112S57 I61 Q62 R63S57-A59 VanDerWaalsContact C-N 3.28Å; S57-A59 PolarHBondContact O-N 2.85Å; A59-I61 VanDerWaalsContact C-N 3.35Å; A59-I61 PolarHBondContact O-N 3.43Å; A59-Q62 PolarHBondContact O-N 3.41Å; A59-R63 PolarHBondContact O-N 3.4Å
60E93.8Very high91.9Very high35 Ų3538.6 Ų38.616%0.16421%0.213CC..Hα-helixtrans-65.6-35.9175.2-73.1164.2127.400112.4K56 S57 K58 R63 L64 G209 T210K56-E60 HydrophobicContact CB-CB 4.22Å; K56-E60 HydrophobicContact CD-CB 4.5Å; K56-E60 HydrophobicContact CG-CB 4.43Å; S57-E60 VanDerWaalsContact CB-OE2 3.31Å; S57-E60 WeakPolarHBondContact CB-OE2 3.21Å; S57-E60 PolarHBondContact N-OE2 3.3Å; S57-E60 PolarHBondContact O-N 3Å; S57-E60 WeakPolarHBondContact OG-CB 3.32Å; S57-E60 VanDerWaalsContact OG-CG 3.3Å; S57-E60 WeakPolarHBondContact OG-CG 3.11Å; S57-E60 PolarHBondContact OG-N 3Å; S57-E60 PolarHBondContact OG-OE2 3.34Å; K58-E60 PolarHBondContact O-N 3.11Å; E60-R63 WeakPolarHBondContact O-CB 3.49Å; E60-L64 WeakPolarHBondContact O-CG 3.34Å; E60-G209 VanDerWaalsContact OE1-CA 3.29Å; E60-G209 WeakPolarHBondContact OE1-CA 3.19Å; E60-G209 PolarHBondContact OE1-N 3.13Å; E60-T210 HydrophobicContact CG-CG2 4.12Å
61I94.9Very high89.9Confident0 Ų040.2 Ų40.20%022%0.221CC..Hα-helixtrans-66.9-47.7173.4-72.6157000110.5Y21 Y22 F53 K56 S57 K58 A59 R63 L64 L286 L301Y21-I61 HydrophobicContact CD1-CD1 3.76Å; Y21-I61 HydrophobicContact CE1-CD1 3.92Å; Y22-I61 HydrophobicContact CD2-CD1 4.46Å; F53-I61 HydrophobicContact CD1-CG1 4.07Å; K56-I61 HydrophobicContact CB-CD1 4.15Å; K56-I61 HydrophobicContact CB-CG1 3.86Å; K56-I61 HydrophobicContact CD-CG1 4.25Å; S57-I61 PolarHBondContact O-N 3.2Å; K58-I61 PolarHBondContact O-N 3.17Å; A59-I61 VanDerWaalsContact C-N 3.35Å; A59-I61 PolarHBondContact O-N 3.43Å; I61-R63 PolarHBondContact O-N 3Å; I61-L64 WeakPolarHBondContact O-CB 3.5Å; I61-L64 PolarHBondContact O-N 3.38Å; I61-L286 HydrophobicContact CD1-CD1 3.87Å; I61-L286 HydrophobicContact CG2-CD1 3.97Å; I61-L286 HydrophobicContact CG2-CD2 3.82Å; I61-L301 HydrophobicContact CG2-CD1 3.96Å
62Q95.6Very high87.5Confident82 Ų8241.3 Ų41.338%0.38323%0.234SC..Hα-helixtrans-61.2-32.6179.2-70.5-176.8-63.600112.1K58 A59 L64 L65 L301K58-Q62 HydrophobicContact CG-CG 4.33Å; K58-Q62 WeakPolarHBondContact O-CB 3.29Å; K58-Q62 VanDerWaalsContact O-CG 3.3Å; K58-Q62 WeakPolarHBondContact O-CG 3.34Å; K58-Q62 PolarHBondContact O-N 3.48Å; A59-Q62 PolarHBondContact O-N 3.41Å; Q62-L64 PolarHBondContact O-N 2.96Å; Q62-L65 WeakPolarHBondContact O-CB 3.38Å; Q62-L65 PolarHBondContact O-N 2.91Å; Q62-L65 VanDerWaalsContact O-N 3.08Å; Q62-L301 WeakPolarHBondContact CG-O 3.15Å; Q62-L301 PolarHBondContact NE2-O 3.06Å
63R94.9Very high84.4Confident34 Ų3448.5 Ų48.513%0.12827%0.273CS..Hα-helixtrans-54.5-36171.1-175.785.7-174.4134.2-18.3112.6A59 E60 I61 L65 G123 C166 D167 T210 A211A59-R63 PolarHBondContact O-N 3.4Å; E60-R63 WeakPolarHBondContact O-CB 3.49Å; I61-R63 PolarHBondContact O-N 3Å; R63-L65 PolarHBondContact O-N 3.04Å; R63-G123 WeakPolarHBondContact O-CA 3.27Å; R63-G123 PolarHBondContact O-N 3.38Å; R63-C166 VanDerWaalsContact CZ-C 3.41Å; R63-C166 PolarHBondContact NH1-O 3.24Å; R63-C166 VanDerWaalsContact NH2-CB 3.28Å; R63-D167 IonicContact CZ-OD1 3.28Å; R63-D167 IonicContact CZ-OD2 3.33Å; R63-D167 VanDerWaalsContact NH1-N 3.19Å; R63-D167 IonicContact NH1-OD1 3.66Å; R63-D167 PolarHBondContact NH1-OD1 3.45Å; R63-D167 IonicContact NH1-OD2 2.69Å; R63-D167 PolarHBondContact NH1-OD2 2.95Å; R63-D167 VanDerWaalsContact NH2-CG 3.34Å; R63-D167 IonicContact NH2-OD1 3.29Å; R63-D167 PolarHBondContact NH2-OD1 3.4Å; R63-D167 IonicContact NH2-OD2 2.57Å; R63-D167 PolarHBondContact NH2-OD2 3.1Å; R63-T210 HydrophobicContact CB-CG2 3.74Å; R63-T210 HydrophobicContact CG-CG2 3.47Å; R63-T210 VanDerWaalsContact CG-CG2 3.47Å; R63-A211 PolarHBondContact NH2-O 2.95Å
64L96.1Very high81.4Confident2 Ų257.7 Ų57.71%0.0131%0.308CS..THydrogen-bonded Turntrans-76.2-13.8-176.9-52.6172.6000112.3Y52 F53 K56 E60 I61 Q62 G66 Q119Y52-L64 HydrophobicContact CE1-CD1 3.72Å; F53-L64 HydrophobicContact CD1-CD1 4.31Å; F53-L64 HydrophobicContact CE1-CD1 3.98Å; K56-L64 HydrophobicContact CD-CD1 4.11Å; E60-L64 WeakPolarHBondContact O-CG 3.34Å; I61-L64 WeakPolarHBondContact O-CB 3.5Å; I61-L64 PolarHBondContact O-N 3.38Å; Q62-L64 PolarHBondContact O-N 2.96Å; L64-G66 PolarHBondContact O-N 3.46Å; L64-Q119 PolarHBondContact O-NE2 3.33Å
65L97.7Very high78.4Confident15 Ų1560 Ų608%0.07932%0.323CS..  trans-95.265.8-177.8-50.9-177.5000109.8Q62 R63 F67 V281 L301 G303 H304 W326Q62-L65 WeakPolarHBondContact O-CB 3.38Å; Q62-L65 PolarHBondContact O-N 2.91Å; Q62-L65 VanDerWaalsContact O-N 3.08Å; R63-L65 PolarHBondContact O-N 3.04Å; L65-F67 VanDerWaalsContact C-N 3.32Å; L65-F67 PolarHBondContact O-N 3.21Å; L65-V281 HydrophobicContact CD1-CB 4.04Å; L65-V281 HydrophobicContact CD1-CG1 4.15Å; L65-V281 HydrophobicContact CD2-CB 3.99Å; L65-V281 HydrophobicContact CD2-CG1 4.09Å; L65-V281 HydrophobicContact CD2-CG2 3.9Å; L65-L301 HydrophobicContact CD1-CB 3.46Å; L65-L301 VanDerWaalsContact CD1-CB 3.46Å; L65-G303 CarbonylContact C-O 3.6Å; L65-G303 VanDerWaalsContact CA-O 3.27Å; L65-G303 WeakPolarHBondContact CA-O 3.32Å; L65-G303 WeakPolarHBondContact CB-O 3.26Å; L65-G303 VanDerWaalsContact O-O 3.04Å; L65-H304 HydrophobicContact CD2-CB 4.07Å; L65-W326 HydrophobicContact CD2-CH2 4.34Å; L65-W326 HydrophobicContact CD2-CZ2 3.75Å
66G97.8Very high75.4Confident4 Ų463.3 Ų63.34%0.04134%0.336CS..BIsolated β-bridgetrans-85.411.6-17200000115.4L64 I68 G123 C125 W126 G168 G169L64-G66 PolarHBondContact O-N 3.46Å; G66-I68 PolarHBondContact O-N 3.16Å; G66-G123 WeakPolarHBondContact CA-O 3.49Å; G66-C125 PolarHBondContact N-SG 2.86Å; G66-C125 VanDerWaalsContact N-SG 3.4Å; G66-W126 VanDerWaalsContact O-CD1 3.23Å; G66-G168 CarbonylContact O-C 3.52Å; G66-G168 WeakPolarHBondContact O-CA 3.5Å; G66-G169 PolarHBondContact O-N 2.71Å
67F96Very high72.5Confident19 Ų1972.2 Ų72.28%0.08338%0.377CS..BIsolated β-bridgetrans-82.7120.5178.5164.9-119.5000110.8L65 P69 C125 P171 G303 A305 Y350L65-F67 VanDerWaalsContact C-N 3.32Å; L65-F67 PolarHBondContact O-N 3.21Å; F67-P69 HydrophobicContact CE2-CB 4.4Å; F67-P69 HydrophobicContact CZ-CB 3.89Å; F67-P69 HydrophobicContact CZ-CG 4.42Å; F67-C125 PolarHBondContact N-SG 2.95Å; F67-P171 HydrophobicContact CD2-CG 4.13Å; F67-P171 HydrophobicContact CE2-CG 4.4Å; F67-G303 WeakPolarHBondContact CB-O 3.46Å; F67-G303 PolarHBondContact N-O 2.9Å; F67-G303 VanDerWaalsContact N-O 3.1Å; F67-A305 HydrophobicContact CB-CB 3.92Å; F67-A305 HydrophobicContact CD2-CB 4.37Å; F67-A305 HydrophobicContact CG-CB 4.24Å; F67-Y350 HydrophobicContact CE1-CG 4.45Å; F67-Y350 AromaticContact CE2-CD1 3.9Å; F67-Y350 HydrophobicContact CE2-CD1 3.9Å; F67-Y350 AromaticContact CE2-CD2 3.93Å; F67-Y350 HydrophobicContact CE2-CD2 3.93Å; F67-Y350 AromaticContact CE2-CE1 3.69Å; F67-Y350 HydrophobicContact CE2-CE1 3.69Å; F67-Y350 AromaticContact CE2-CE2 3.65Å; F67-Y350 HydrophobicContact CE2-CE2 3.65Å; F67-Y350 HydrophobicContact CE2-CG 4.03Å; F67-Y350 AromaticContact CE2-CZ 3.56Å; F67-Y350 AromaticContact CZ-CD1 3.76Å; F67-Y350 HydrophobicContact CZ-CD1 3.76Å; F67-Y350 AromaticContact CZ-CD2 3.51Å; F67-Y350 HydrophobicContact CZ-CD2 3.51Å; F67-Y350 HydrophobicContact CZ-CE1 4.04Å; F67-Y350 AromaticContact CZ-CE2 3.74Å; F67-Y350 HydrophobicContact CZ-CE2 3.74Å; F67-Y350 AromaticContact CZ-CG 3.5Å; F67-Y350 HydrophobicContact CZ-CG 3.5Å
68I89.6Confident69.3Low78 Ų7876.5 Ų76.540%0.440%0.397SS..  trans-119.9109.5177.2-55176000108.6G66 G169 N170G66-I68 PolarHBondContact O-N 3.16Å; I68-G169 PolarHBondContact N-O 2.83Å; I68-N170 WeakPolarHBondContact O-CB 3.32Å; I68-N170 PolarHBondContact O-ND2 2.84Å
69P76.1Confident66.2Low53 Ų5383.1 Ų83.134%0.34442%0.419SS..  trans-67.4153.5174.728.4-33.3000110.8F67 D71F67-P69 HydrophobicContact CE2-CB 4.4Å; F67-P69 HydrophobicContact CZ-CB 3.89Å; F67-P69 HydrophobicContact CZ-CG 4.42Å; P69-D71 PolarHBondContact O-N 2.83Å
70S65.8Low63.2Low42 Ų4284.1 Ų84.129%0.29442%0.423SS..G310 helixtrans-66.2-21.6-17457.60000113N170 G251S70-N170 PolarHBondContact N-ND2 3.13Å; S70-G251 PolarHBondContact OG-O 3.17Å
71D52.2Low60.1Low39 Ų3991.8 Ų91.821%0.20946%0.458CS..G310 helixtrans-97.123-173.2-64.9-25000115.3P69 N73 S252 K253P69-D71 PolarHBondContact O-N 2.83Å; D71-N73 PolarHBondContact O-N 3.39Å; D71-S252 WeakPolarHBondContact OD2-CA 3.36Å; D71-S252 WeakPolarHBondContact OD2-CB 3.32Å; D71-S252 PolarHBondContact OD2-OG 3.38Å; D71-K253 PolarHBondContact OD2-N 3.49Å
72A41.8Very low57Low72 Ų72101 Ų10160%0.59550%0.502SS*.G310 helixtrans-62.6-22.2167.100000112.5
73N28.8Very low53.9Low156 Ų156100.7 Ų100.783%0.83452%0.52SS*.SBendtrans-136.28.3-175.1-75.8-28.6000116D71D71-N73 PolarHBondContact O-N 3.39Å
74R30.8Very low50.9Low193 Ų193106.7 Ų106.773%0.72855%0.554SS**  trans-10112.2-173-82-171.5166.3-179.8-3.6116.7E76R74-E76 PolarHBondContact O-N 3.2Å
75I30.3Very low47.8Very low144 Ų144114.1 Ų114.174%0.73859%0.594SS**THydrogen-bonded Turntrans-78.2-10.6-177.2-64.6179.8000114.1
76E28.5Very low44.8Very low165 Ų165121.1 Ų121.177%0.77163%0.626SS**THydrogen-bonded Turntrans-88.9-16.7-175.8-67.3-147149.300116.7R74R74-E76 PolarHBondContact O-N 3.2Å
77E30Very low41.9Very low189 Ų189126 Ų12688%0.88365%0.651SS**SBendtrans-108.80.7-165.1-124.2176.4-168.600117.8
78D27.4Very low39.2Very low137 Ų137129.7 Ų129.773%0.73368%0.679SS**  trans-131.573.4173.4-139.8-11.3000112.4S80D78-S80 PolarHBondContact OD1-OG 3.28Å; D78-S80 VanDerWaalsContact OD1-OG 3.11Å
79R28.7Very low36.7Very low217 Ų217135.4 Ų135.482%0.81970%0.696SS**  trans-9776.5159.1-80.2-176.7-85.1-157-8.8107.8
80S30.1Very low35.1Very low91 Ų91135.7 Ų135.764%0.63670%0.696SS**  trans-115.6112.4158.2550000108.4D78 E82D78-S80 PolarHBondContact OD1-OG 3.28Å; D78-S80 VanDerWaalsContact OD1-OG 3.11Å; S80-E82 PolarHBondContact O-N 3.2Å
81E28.7Very low33.9Very low195 Ų195139.7 Ų139.791%0.91172%0.72SS**  trans-68.6114.9175.8-64175.316000108.5
82E29.5Very low33.7Very low195 Ų195139.8 Ų139.891%0.91172%0.721SS**  trans-149.1107.2163.4-114.9166.7-152.300112.4S80S80-E82 PolarHBondContact O-N 3.2Å
83G30.8Very low34.1Very low74 Ų74140.7 Ų140.776%0.76372%0.723SS**  trans50.396.1134.700000119.1N85G83-N85 PolarHBondContact O-N 3.23Å
84D31.7Very low35.1Very low161 Ų161142.9 Ų142.986%0.86173%0.725SS**  trans-59.1108.9164.1-16614.6000110.7
85N32.5Very low36.7Very low157 Ų157139.8 Ų139.884%0.8472%0.717SS**  trans-131.398167.5-141.37.2000109.3G83 D87G83-N85 PolarHBondContact O-N 3.23Å; N85-D87 PolarHBondContact O-N 2.9Å; N85-D87 VanDerWaalsContact O-N 3.12Å
86H33.2Very low39.3Very low162 Ų162137.4 Ų137.475%0.7572%0.719SS**  trans-73.794.4-175-167.149.5000110.8S88H86-S88 PolarHBondContact O-N 3.28Å
87D37.1Very low42.4Very low108 Ų108131.7 Ų131.758%0.57869%0.693SS**  trans-82101.3168.5-17518000110.9N85 R89N85-D87 PolarHBondContact O-N 2.9Å; N85-D87 VanDerWaalsContact O-N 3.12Å; D87-R89 PolarHBondContact O-N 2.74Å
88S39.9Very low45.6Very low96 Ų96125 Ų12567%0.67167%0.666SS**  trans-78.737.2-178.2640000114.3H86H86-S88 PolarHBondContact O-N 3.28Å
89R36.5Very low48.9Very low197 Ų197125.3 Ų125.374%0.74366%0.664SS**  trans-117.312.3-172.7-81.3-165.4167.997.6-1.4118.2D87 T91D87-R89 PolarHBondContact O-N 2.74Å; R89-T91 PolarHBondContact O-N 2.8Å
90V42.7Very low52.2Low59 Ų59120 Ų12036%0.35865%0.648SS.*  trans-82.378.6163-172.30000109.1V92 L243V90-V92 VanDerWaalsContact C-N 3.25Å; V90-V92 HydrophobicContact CG1-CG2 4.5Å; V90-V92 PolarHBondContact O-N 3.41Å; V90-L243 HydrophobicContact CG2-CD2 3.77Å
91T41.3Very low55.5Low127 Ų127116.5 Ų116.578%0.77962%0.621SS**  trans-6692.7162.249.40000107.5R89 S93R89-T91 PolarHBondContact O-N 2.8Å; T91-S93 PolarHBondContact O-N 3.23Å; T91-S93 VanDerWaalsContact O-N 3.09Å
92V48.1Very low58.8Low41 Ų41108 Ų10825%0.24858%0.582CS.*  trans-48.8121.7163.1178.70000105.7V90 K94 Q267V90-V92 VanDerWaalsContact C-N 3.25Å; V90-V92 HydrophobicContact CG1-CG2 4.5Å; V90-V92 PolarHBondContact O-N 3.41Å; V92-K94 VanDerWaalsContact C-N 3.31Å; V92-K94 PolarHBondContact O-N 2.93Å; V92-Q267 HydrophobicContact CG1-CG 4.35Å
93S48.5Very low62.1Low90 Ų9098.8 Ų98.863%0.62954%0.539SS*.  trans-52.7102.1171.61410000106.5T91 K95T91-S93 PolarHBondContact O-N 3.23Å; T91-S93 VanDerWaalsContact O-N 3.09Å; S93-K95 PolarHBondContact O-N 3.46Å
94K51.7Low65.3Low203 Ų20399.1 Ų99.188%0.88352%0.517SS*.  trans-69.557.6-178.6-70.8-175.2176.3-177.90110.4V92 A96V92-K94 VanDerWaalsContact C-N 3.31Å; V92-K94 PolarHBondContact O-N 2.93Å; K94-A96 PolarHBondContact O-N 3.38Å; K94-A96 VanDerWaalsContact O-N 3.13Å
95K63.1Low68.5Low128 Ų12899 Ų9956%0.55751%0.509SS*.  trans-66.7113.2160.9-163.7173.6-174.6178.20104.3S93 L97 Y270S93-K95 PolarHBondContact O-N 3.46Å; K95-L97 PolarHBondContact O-N 2.97Å; K95-Y270 HydrophobicContact CD-CE1 4.5Å
96A86.3Confident71.6Confident94 Ų9498.6 Ų98.678%0.77750%0.495SS*.  trans-52.9115.2179.600000108.7K94K94-A96 PolarHBondContact O-N 3.38Å; K94-A96 VanDerWaalsContact O-N 3.13Å
97L93.6Very high74.7Confident44 Ų4492.3 Ų92.323%0.2347%0.465CS..  trans-75143.1174.9-65.9174.2000108.3K95 M266 Y270 W311K95-L97 PolarHBondContact O-N 2.97Å; L97-M266 HydrophobicContact CD1-CB 3.59Å; L97-M266 HydrophobicContact CD1-CE 4.46Å; L97-Y270 HydrophobicContact CD2-CD1 3.83Å; L97-Y270 HydrophobicContact CD2-CD2 4.17Å; L97-Y270 HydrophobicContact CD2-CG 3.62Å; L97-W311 HydrophobicContact CB-CZ2 4.32Å
98P96.6Very high77.6Confident49 Ų4992.1 Ų92.132%0.31847%0.47SS..  trans-68153.8176.931.2-37.3000111.2E100 Y101 Y270 W311P98-E100 VanDerWaalsContact C-N 3.28Å; P98-E100 WeakPolarHBondContact CB-O 3.44Å; P98-E100 WeakPolarHBondContact CG-O 3.33Å; P98-E100 PolarHBondContact O-N 3.31Å; P98-Y101 HydrophobicContact CG-CD2 4.45Å; P98-Y270 HydrophobicContact CG-CE2 4.17Å; P98-W311 HydrophobicContact CG-CZ2 4.11Å; P98-W311 PolarHBondContact O-NE1 3.4Å
99E96.6Very high80.3Confident144 Ų14491.5 Ų91.567%0.67345%0.453SS*.SBendtrans-61.8-37.9174.6-176.8175.5-10700111.8W311 V313E99-W311 PolarHBondContact O-NE1 2.66Å; E99-V313 HydrophobicContact CG-CB 4.45Å; E99-V313 HydrophobicContact CG-CG2 3.66Å
100E98.2Very high83.2Confident106 Ų10682.4 Ų82.450%0.49542%0.42SS..SBendtrans-119.9139173.7-63.4-169.6172.200111.6P98P98-E100 VanDerWaalsContact C-N 3.28Å; P98-E100 WeakPolarHBondContact CB-O 3.44Å; P98-E100 WeakPolarHBondContact CG-O 3.33Å; P98-E100 PolarHBondContact O-N 3.31Å
101Y98.6Very high85.8Confident17 Ų1785.1 Ų85.17%0.06743%0.427CS..EExtended strand (participates in β ladder)trans-144.4135.9176.1-178.6-111.6000111P98 V103 R106 L269 Y270 G310 W311P98-Y101 HydrophobicContact CG-CD2 4.45Å; Y101-V103 HydrophobicContact CD1-CG2 4.26Å; Y101-V103 HydrophobicContact CE1-CB 4.42Å; Y101-V103 HydrophobicContact CE1-CG2 3.41Å; Y101-V103 VanDerWaalsContact CE1-CG2 3.41Å; Y101-R106 HydrophobicContact CE2-CB 3.85Å; Y101-R106 HydrophobicContact CE2-CG 4.02Å; Y101-L269 HydrophobicContact CD1-CG 4.34Å; Y101-L269 HydrophobicContact CE1-CG 4.06Å; Y101-Y270 AromaticContact CD2-CD2 3.82Å; Y101-Y270 HydrophobicContact CD2-CD2 3.82Å; Y101-Y270 HydrophobicContact CD2-CE2 4.07Å; Y101-Y270 AromaticContact CE2-CD2 3.65Å; Y101-Y270 HydrophobicContact CE2-CD2 3.65Å; Y101-Y270 AromaticContact CE2-CE2 3.94Å; Y101-Y270 HydrophobicContact CE2-CE2 3.94Å; Y101-Y270 HydrophobicContact CG-CD2 4.37Å; Y101-G310 CarbonylContact O-C 3.5Å; Y101-G310 WeakPolarHBondContact O-CA 3.4Å; Y101-W311 HydrophobicContact CD1-CD2 4.43Å; Y101-W311 AromaticContact CD1-CE3 3.74Å; Y101-W311 HydrophobicContact CD1-CE3 3.74Å; Y101-W311 AromaticContact CD1-CH2 3.43Å; Y101-W311 HydrophobicContact CD1-CH2 3.43Å; Y101-W311 VanDerWaalsContact CD1-CH2 3.43Å; Y101-W311 HydrophobicContact CD1-CZ2 4.17Å; Y101-W311 AromaticContact CD1-CZ3 3.19Å; Y101-W311 HydrophobicContact CD1-CZ3 3.19Å; Y101-W311 HydrophobicContact CD2-CH2 4.38Å; Y101-W311 HydrophobicContact CE1-CH2 4.17Å; Y101-W311 AromaticContact CE1-CZ3 3.94Å; Y101-W311 HydrophobicContact CE1-CZ3 3.94Å; Y101-W311 HydrophobicContact CG-CD2 4.5Å; Y101-W311 HydrophobicContact CG-CE3 4.22Å; Y101-W311 AromaticContact CG-CH2 3.53Å; Y101-W311 HydrophobicContact CG-CH2 3.53Å; Y101-W311 AromaticContact CG-CZ2 3.85Å; Y101-W311 HydrophobicContact CG-CZ2 3.85Å; Y101-W311 AromaticContact CG-CZ3 3.75Å; Y101-W311 HydrophobicContact CG-CZ3 3.75Å; Y101-W311 PolarHBondContact N-O 3.29Å; Y101-W311 PolarHBondContact O-N 2.75Å; Y101-W311 VanDerWaalsContact O-O 3.1Å
102D98.7Very high88.4Confident17 Ų1781.5 Ų81.59%0.09140%0.399CS..EExtended strand (participates in β ladder)trans-137115.5173.2-176.6-24.6000107.8R104 K105 R106D102-R104 PolarHBondContact O-N 2.84Å; D102-R104 VanDerWaalsContact O-N 3.16Å; D102-R104 WeakPolarHBondContact OD1-CB 2.97Å; D102-R104 WeakPolarHBondContact OD1-CG 3.25Å; D102-R104 IonicContact OD1-CZ 2.65Å; D102-R104 PolarHBondContact OD1-N 3.23Å; D102-R104 IonicContact OD1-NE 2.95Å; D102-R104 PolarHBondContact OD1-NE 3.24Å; D102-R104 IonicContact OD1-NH2 3.49Å; D102-R104 IonicContact OD2-CZ 2.76Å; D102-R104 IonicContact OD2-NE 3.52Å; D102-R104 PolarHBondContact OD2-NE 3.2Å; D102-R104 IonicContact OD2-NH2 2.9Å; D102-R104 PolarHBondContact OD2-NH2 2.72Å; D102-K105 HydrophobicContact CB-CB 4.26Å; D102-K105 HydrophobicContact CB-CD 3.94Å; D102-K105 HydrophobicContact CB-CG 3.93Å; D102-K105 PolarHBondContact O-N 3.31Å; D102-R106 PolarHBondContact O-N 3.01Å; D102-R106 VanDerWaalsContact O-N 3.1Å
103V98.4Very high90.8Very high0 Ų079.6 Ų79.60%039%0.388CS..Hα-helixtrans-57.2-33.3-177.4177.80000110.7Y101 K105 R106 Y107 I113 I140 L269 P274 I309Y101-V103 HydrophobicContact CD1-CG2 4.26Å; Y101-V103 HydrophobicContact CE1-CB 4.42Å; Y101-V103 HydrophobicContact CE1-CG2 3.41Å; Y101-V103 VanDerWaalsContact CE1-CG2 3.41Å; V103-K105 VanDerWaalsContact C-N 3.34Å; V103-K105 PolarHBondContact O-N 2.83Å; V103-R106 PolarHBondContact O-N 3.32Å; V103-Y107 HydrophobicContact CG1-CD2 3.73Å; V103-Y107 HydrophobicContact CG1-CE2 4.31Å; V103-Y107 PolarHBondContact O-N 3.06Å; V103-I113 HydrophobicContact CB-CG2 4.13Å; V103-I113 HydrophobicContact CG1-CD1 3.66Å; V103-I113 HydrophobicContact CG1-CG2 3.83Å; V103-I140 HydrophobicContact CG1-CD1 3.81Å; V103-L269 HydrophobicContact CG2-CD1 3.7Å; V103-L269 HydrophobicContact CG2-CG 4.41Å; V103-P274 HydrophobicContact CB-CG 4.47Å; V103-P274 HydrophobicContact CG1-CG 4.02Å; V103-P274 HydrophobicContact CG2-CG 4.3Å; V103-I309 WeakPolarHBondContact CB-O 3.24Å; V103-I309 WeakPolarHBondContact CG2-O 3.41Å; V103-I309 PolarHBondContact N-O 3.32Å
104R98.5Very high93.1Very high82 Ų8277.1 Ų77.131%0.30938%0.376SS..Hα-helixtrans-65.3-38.8179.5-55.4169.4-64.7176.6-0.2111.5D102 R106 Y107 P108 I113D102-R104 PolarHBondContact O-N 2.84Å; D102-R104 VanDerWaalsContact O-N 3.16Å; D102-R104 WeakPolarHBondContact OD1-CB 2.97Å; D102-R104 WeakPolarHBondContact OD1-CG 3.25Å; D102-R104 IonicContact OD1-CZ 2.65Å; D102-R104 PolarHBondContact OD1-N 3.23Å; D102-R104 IonicContact OD1-NE 2.95Å; D102-R104 PolarHBondContact OD1-NE 3.24Å; D102-R104 IonicContact OD1-NH2 3.49Å; D102-R104 IonicContact OD2-CZ 2.76Å; D102-R104 IonicContact OD2-NE 3.52Å; D102-R104 PolarHBondContact OD2-NE 3.2Å; D102-R104 IonicContact OD2-NH2 2.9Å; D102-R104 PolarHBondContact OD2-NH2 2.72Å; R104-R106 VanDerWaalsContact C-N 3.35Å; R104-Y107 CarbonylContact O-C 3.57Å; R104-P108 WeakPolarHBondContact O-CA 3.27Å; R104-I113 HydrophobicContact CG-CB 4.2Å; R104-I113 HydrophobicContact CG-CG2 3.63Å
105K98.3Very high95.3Very high158 Ų15870.5 Ų70.569%0.68735%0.348SS*.Hα-helixtrans-71.3-33.2175.9-62.1-178.4-172.6172.70111.4D102 V103D102-K105 HydrophobicContact CB-CB 4.26Å; D102-K105 HydrophobicContact CB-CD 3.94Å; D102-K105 HydrophobicContact CB-CG 3.93Å; D102-K105 PolarHBondContact O-N 3.31Å; V103-K105 VanDerWaalsContact C-N 3.34Å; V103-K105 PolarHBondContact O-N 2.83Å
106R97.7Very high97Very high148 Ų14865.1 Ų65.156%0.55833%0.325SS*.Hα-helixtrans-74.1-37.3179.3-176.659.1178.9154.72.9112.9Y101 D102 V103 R104 P108Y101-R106 HydrophobicContact CE2-CB 3.85Å; Y101-R106 HydrophobicContact CE2-CG 4.02Å; D102-R106 PolarHBondContact O-N 3.01Å; D102-R106 VanDerWaalsContact O-N 3.1Å; V103-R106 PolarHBondContact O-N 3.32Å; R104-R106 VanDerWaalsContact C-N 3.35Å; R106-P108 VanDerWaalsContact C-CD 3.42Å; R106-P108 WeakPolarHBondContact O-CD 3.49Å
107Y97.9Very high97.4Very high31 Ų3160.8 Ų60.812%0.12229%0.289CS..  trans-125.263.2-176-55.9-75.1000111.1V103 R104 Y109 C110 I140V103-Y107 HydrophobicContact CG1-CD2 3.73Å; V103-Y107 HydrophobicContact CG1-CE2 4.31Å; V103-Y107 PolarHBondContact O-N 3.06Å; R104-Y107 CarbonylContact O-C 3.57Å; Y107-Y109 HydrophobicContact CD1-CE1 4.42Å; Y107-Y109 HydrophobicContact CD1-CE2 4.43Å; Y107-Y109 AromaticContact CD1-CZ 3.83Å; Y107-Y109 WeakPolarHBondContact CD1-OH 3.43Å; Y107-Y109 PolarHBondContact O-N 3.22Å; Y107-Y109 VanDerWaalsContact O-N 3.09Å; Y107-C110 WeakPolarHBondContact O-CB 3.39Å; Y107-C110 PolarHBondContact O-N 3.34Å; Y107-I140 HydrophobicContact CD1-CG1 4.29Å; Y107-I140 HydrophobicContact CD1-CG2 4.4Å; Y107-I140 HydrophobicContact CD2-CD1 3.87Å; Y107-I140 HydrophobicContact CD2-CG1 3.83Å; Y107-I140 HydrophobicContact CE1-CG2 3.89Å; Y107-I140 HydrophobicContact CE2-CD1 4.01Å; Y107-I140 HydrophobicContact CE2-CG1 4.12Å; Y107-I140 HydrophobicContact CE2-CG2 4.06Å; Y107-I140 HydrophobicContact CG-CD1 4.45Å; Y107-I140 HydrophobicContact CG-CG1 3.91Å
108P97.7Very high97.6Very high103 Ų10360 Ų6067%0.66929%0.285SS*.THydrogen-bonded Turntrans-64.8-19-173.427.8-36.4000113.4R104 R106 C110R104-P108 WeakPolarHBondContact O-CA 3.27Å; R106-P108 VanDerWaalsContact C-CD 3.42Å; R106-P108 WeakPolarHBondContact O-CD 3.49Å; P108-C110 VanDerWaalsContact C-N 3.29Å; P108-C110 PolarHBondContact O-N 3.17Å
109Y97.5Very high97.6Very high83 Ų8357.7 Ų57.733%0.32527%0.27SS..THydrogen-bonded Turntrans-75-14.9175.453.4-106.3000113.5Y107 K111 N143 Q147Y107-Y109 HydrophobicContact CD1-CE1 4.42Å; Y107-Y109 HydrophobicContact CD1-CE2 4.43Å; Y107-Y109 AromaticContact CD1-CZ 3.83Å; Y107-Y109 WeakPolarHBondContact CD1-OH 3.43Å; Y107-Y109 PolarHBondContact O-N 3.22Å; Y107-Y109 VanDerWaalsContact O-N 3.09Å; Y109-K111 PolarHBondContact O-N 3.26Å; Y109-N143 VanDerWaalsContact CE2-C 3.48Å; Y109-N143 PolarHBondContact OH-OD1 3.13Å; Y109-Q147 PolarHBondContact O-NE2 3.1Å; Y109-Q147 PolarHBondContact O-OE1 3.36Å
110C98.3Very high97.6Very high7 Ų750.9 Ų50.95%0.04724%0.238CC..  trans-88.891.7178.9-730000111.8Y107 P108 Y112 I113 C139Y107-C110 WeakPolarHBondContact O-CB 3.39Å; Y107-C110 PolarHBondContact O-N 3.34Å; P108-C110 VanDerWaalsContact C-N 3.29Å; P108-C110 PolarHBondContact O-N 3.17Å; C110-Y112 VanDerWaalsContact C-N 3.28Å; C110-Y112 PolarHBondContact O-N 2.96Å; C110-Y112 VanDerWaalsContact O-N 3.13Å; C110-I113 HydrophobicContact CB-CD1 3.39Å; C110-I113 HydrophobicContact CB-CG1 3.67Å; C110-I113 PolarHBondContact O-N 2.88Å; C110-C139 WeakPolarHBondContact CA-SG 3.34Å; C110-C139 HydrophobicContact CB-CB 3.87Å; C110-C139 WeakPolarHBondContact CB-SG 3.47Å; C110-C139 WeakPolarHBondContact SG-CB 3.41Å; C110-C139 CovalentContact SG-SG 2.03Å; C110-C139 PolarHBondContact SG-SG 2.95Å
111K95.5Very high97.5Very high116 Ų11647 Ų4750%0.50422%0.221SC..THydrogen-bonded Turntrans-61.5-25.9-167.973.6-166.3175.9-1770115.8Y109Y109-K111 PolarHBondContact O-N 3.26Å
112Y97.6Very high97.4Very high50 Ų5046.2 Ų46.220%0.19622%0.217CC..THydrogen-bonded Turntrans-92.5-7.4-174.6-64.1-56.3000115C110 G114 F115 L149 R307C110-Y112 VanDerWaalsContact C-N 3.28Å; C110-Y112 PolarHBondContact O-N 2.96Å; C110-Y112 VanDerWaalsContact O-N 3.13Å; Y112-G114 VanDerWaalsContact C-N 3.27Å; Y112-G114 PolarHBondContact O-N 3.13Å; Y112-F115 HydrophobicContact CD1-CB 4.28Å; Y112-F115 HydrophobicContact CD1-CG 4.48Å; Y112-F115 WeakPolarHBondContact O-CB 3.25Å; Y112-F115 PolarHBondContact O-N 3.18Å; Y112-L149 HydrophobicContact CD1-CD1 4.19Å; Y112-L149 HydrophobicContact CD1-CD2 4.27Å; Y112-L149 HydrophobicContact CD2-CB 4.04Å; Y112-L149 HydrophobicContact CD2-CD1 4.36Å; Y112-L149 HydrophobicContact CE1-CB 4.32Å; Y112-L149 HydrophobicContact CE1-CD2 4.08Å; Y112-L149 HydrophobicContact CE2-CB 3.78Å; Y112-L149 HydrophobicContact CG-CB 4.42Å; Y112-L149 HydrophobicContact CG-CD1 4.03Å; Y112-R307 PolarHBondContact O-NH1 3.28Å
113I98Very high97.4Very high1 Ų145.4 Ų45.41%0.00521%0.213CC..THydrogen-bonded Turntrans-63.7-39.3179-56.6-175000110.4V103 R104 C110 F115 D136 I140 P274 R307V103-I113 HydrophobicContact CB-CG2 4.13Å; V103-I113 HydrophobicContact CG1-CD1 3.66Å; V103-I113 HydrophobicContact CG1-CG2 3.83Å; R104-I113 HydrophobicContact CG-CB 4.2Å; R104-I113 HydrophobicContact CG-CG2 3.63Å; C110-I113 HydrophobicContact CB-CD1 3.39Å; C110-I113 HydrophobicContact CB-CG1 3.67Å; C110-I113 PolarHBondContact O-N 2.88Å; I113-F115 VanDerWaalsContact C-N 3.32Å; I113-D136 WeakPolarHBondContact CA-OD1 3.19Å; I113-D136 HydrophobicContact CG1-CB 4.02Å; I113-I140 HydrophobicContact CD1-CD1 4.01Å; I113-I140 HydrophobicContact CD1-CG1 4.1Å; I113-P274 HydrophobicContact CG2-CG 4.45Å; I113-R307 PolarHBondContact O-NH2 3.5Å
114G96.9Very high97.4Very high38 Ų3845.4 Ų45.439%0.39221%0.213SC..THydrogen-bonded Turntrans-81.1-6175.200000114.8Y112 I116Y112-G114 VanDerWaalsContact C-N 3.27Å; Y112-G114 PolarHBondContact O-N 3.13Å; G114-I116 PolarHBondContact O-N 2.72Å
115F97.6Very high97.4Very high64 Ų6441.5 Ų41.528%0.28120%0.198SC..  trans-77.3123.3-177.9-178.5-110.3000110.7Y112 I113 K117 L149 P188 R307Y112-F115 HydrophobicContact CD1-CB 4.28Å; Y112-F115 HydrophobicContact CD1-CG 4.48Å; Y112-F115 WeakPolarHBondContact O-CB 3.25Å; Y112-F115 PolarHBondContact O-N 3.18Å; I113-F115 VanDerWaalsContact C-N 3.32Å; F115-K117 HydrophobicContact CD1-CG 3.93Å; F115-K117 HydrophobicContact CE1-CG 3.87Å; F115-L149 HydrophobicContact CD1-CD2 4.44Å; F115-L149 HydrophobicContact CE1-CD2 4.24Å; F115-P188 HydrophobicContact CZ-CB 4.03Å; F115-P188 HydrophobicContact CZ-CG 4.02Å; F115-R307 PolarHBondContact O-NH2 2.9Å
116I97.5Very high97.4Very high15 Ų1534 Ų348%0.07717%0.166CC..  trans-87.4112.3174.6-55.1-55.2000108.8G114 A323 E328 L335G114-I116 PolarHBondContact O-N 2.72Å; I116-A323 HydrophobicContact CD1-CB 3.99Å; I116-E328 HydrophobicContact CB-CG 3.91Å; I116-E328 HydrophobicContact CG1-CG 4.11Å; I116-E328 HydrophobicContact CG2-CG 4.25Å; I116-L335 HydrophobicContact CD1-CD2 3.64Å; I116-L335 HydrophobicContact CD1-CG 4.43Å
117K96.7Very high97.4Very high4 Ų427 Ų272%0.01714%0.139CC..  trans-75.5152.6173.3-66.9-158.4178-174.50110.4F115 V128 S132 L150 E152 S325F115-K117 HydrophobicContact CD1-CG 3.93Å; F115-K117 HydrophobicContact CE1-CG 3.87Å; K117-V128 HydrophobicContact CB-CG1 3.5Å; K117-V128 HydrophobicContact CD-CG1 4Å; K117-V128 HydrophobicContact CG-CG1 4.33Å; K117-S132 WeakPolarHBondContact CD-OG 3.41Å; K117-S132 WeakPolarHBondContact CE-OG 3.19Å; K117-L150 PolarHBondContact NZ-O 2.92Å; K117-E152 IonicContact NZ-OE1 3.84Å; K117-E152 IonicContact NZ-OE2 3.07Å; K117-E152 PolarHBondContact NZ-OE2 2.03Å; K117-S325 CarbonylContact O-C 3.38Å; K117-S325 WeakPolarHBondContact O-CA 3.01Å
118D96.6Very high97.5Very high28 Ų2825.6 Ų25.615%0.1513%0.134CC..BIsolated β-bridgetrans-114.8118.4176.2-171.5-10.1000109.8A120 Y198 P202 N327D118-A120 PolarHBondContact O-N 2.74Å; D118-A120 WeakPolarHBondContact OD1-CA 3.15Å; D118-A120 PolarHBondContact OD1-N 3.38Å; D118-Y198 WeakPolarHBondContact O-CE1 3.48Å; D118-P202 WeakPolarHBondContact OD2-CB 3.46Å; D118-N327 HydrophobicContact CB-CB 4.38Å
119Q97.5Very high97.5Very high0 Ų020.9 Ų20.90%010%0.104CC..  trans-77-3.4175.575.9-175.97800113.2Y52 L64 C122 S124 V128 Y198 H304 S325 W326Y52-Q119 WeakPolarHBondContact OH-CG 3.24Å; L64-Q119 PolarHBondContact O-NE2 3.33Å; Q119-C122 PolarHBondContact NE2-O 3.16Å; Q119-C122 PolarHBondContact O-N 3.33Å; Q119-S124 WeakPolarHBondContact CB-OG 3.03Å; Q119-V128 HydrophobicContact CB-CG2 3.99Å; Q119-Y198 PolarHBondContact O-OH 2.62Å; Q119-H304 PolarHBondContact OE1-CE1 3.07Å; Q119-S325 WeakPolarHBondContact CG-O 3.14Å; Q119-S325 PolarHBondContact N-O 3.28Å; Q119-S325 PolarHBondContact OE1-OG 3.43Å; Q119-W326 VanDerWaalsContact OE1-CD1 3.32Å
120A96Very high97.5Very high0 Ų017 Ų170%09%0.088CC..THydrogen-bonded Turntrans54.3-138.7-174.800000111.4Y52 D118 C122 Y198 I200 A201Y52-A120 PolarHBondContact OH-O 3.28Å; D118-A120 PolarHBondContact O-N 2.74Å; D118-A120 WeakPolarHBondContact OD1-CA 3.15Å; D118-A120 PolarHBondContact OD1-N 3.38Å; A120-C122 VanDerWaalsContact C-N 3.35Å; A120-Y198 HydrophobicContact CB-CE1 4.12Å; A120-I200 HydrophobicContact CB-CB 4.19Å; A120-I200 HydrophobicContact CB-CG2 3.61Å; A120-A201 WeakPolarHBondContact CB-O 3.33Å
121N95.2Very high97.6Very high25 Ų2516.6 Ų16.613%0.1349%0.086CC..THydrogen-bonded Turntrans-95.732.2177.161.5-23.2000113.8C207 G209 A211N121-C207 HydrophobicContact CB-CB 3.99Å; N121-G209 PolarHBondContact ND2-O 3.47Å; N121-G209 VanDerWaalsContact ND2-O 3.09Å; N121-A211 PolarHBondContact ND2-N 3.35Å; N121-A211 PolarHBondContact O-N 3.26Å; N121-A211 VanDerWaalsContact OD1-CB 3.28Å; N121-A211 WeakPolarHBondContact OD1-CB 3.06Å
122C97.3Very high97.7Very high0 Ų011.3 Ų11.30%06%0.064CC..SBendtrans-116.2143.9179.4172.50000110.9Q119 A120 S124 C166 I200 A211Q119-C122 PolarHBondContact NE2-O 3.16Å; Q119-C122 PolarHBondContact O-N 3.33Å; A120-C122 VanDerWaalsContact C-N 3.35Å; C122-S124 PolarHBondContact O-N 2.94Å; C122-S124 WeakPolarHBondContact SG-CB 3.31Å; C122-C166 HydrophobicContact CB-CB 4.05Å; C122-C166 WeakPolarHBondContact CB-SG 3.45Å; C122-C166 WeakPolarHBondContact SG-CA 3.05Å; C122-C166 WeakPolarHBondContact SG-CB 3.28Å; C122-C166 CovalentContact SG-SG 2.03Å; C122-C166 PolarHBondContact SG-SG 3.04Å; C122-I200 HydrophobicContact CB-CD1 3.48Å; C122-I200 VanDerWaalsContact CB-CD1 3.48Å; C122-A211 HydrophobicContact CB-CB 4.11Å
123G98Very high97.7Very high0 Ų09 Ų90%05%0.054CC..SBendtrans-7546.1171.400000113.4R63 G66 W126 C166R63-G123 WeakPolarHBondContact O-CA 3.27Å; R63-G123 PolarHBondContact O-N 3.38Å; G66-G123 WeakPolarHBondContact CA-O 3.49Å; G123-W126 VanDerWaalsContact O-CD1 3.29Å; G123-W126 PolarHBondContact O-NE1 3.07Å; G123-C166 WeakPolarHBondContact CA-O 3.04Å; G123-C166 PolarHBondContact N-O 3.36Å; G123-C166 VanDerWaalsContact N-O 3.16Å
124S98.5Very high97.7Very high0 Ų08.9 Ų8.90%05%0.054CC..  trans-94.611.1-176.756.20000113.7Q119 C122 W126 A127 V128 Y198Q119-S124 WeakPolarHBondContact CB-OG 3.03Å; C122-S124 PolarHBondContact O-N 2.94Å; C122-S124 WeakPolarHBondContact SG-CB 3.31Å; S124-W126 PolarHBondContact O-N 3.18Å; S124-A127 WeakPolarHBondContact O-CA 3.24Å; S124-A127 WeakPolarHBondContact O-CB 3.46Å; S124-A127 PolarHBondContact O-N 3.18Å; S124-V128 WeakPolarHBondContact O-CG2 3.44Å; S124-V128 PolarHBondContact O-N 3.1Å; S124-Y198 PolarHBondContact OG-OH 2.66Å
125C98.6Very high97.8Very high0 Ų07.1 Ų7.10%04%0.036CC..Hα-helixtrans-49.5-38.2-178.162.70000113.3G66 F67 A127 V128 S129 H304G66-C125 PolarHBondContact N-SG 2.86Å; G66-C125 VanDerWaalsContact N-SG 3.4Å; F67-C125 PolarHBondContact N-SG 2.95Å; C125-A127 PolarHBondContact O-N 2.76Å; C125-V128 PolarHBondContact O-N 2.83Å; C125-S129 VanDerWaalsContact O-CB 3.28Å; C125-S129 WeakPolarHBondContact O-CB 3.4Å; C125-S129 PolarHBondContact O-N 2.75Å; C125-S129 PolarHBondContact O-OG 3.29Å; C125-H304 WeakPolarHBondContact CB-CE1 3.45Å; C125-H304 WeakPolarHBondContact CB-ND1 3.28Å; C125-H304 PolarHBondContact SG-ND1 3Å; C125-H304 VanDerWaalsContact SG-ND1 3.42Å
126W98.2Very high97.8Very high1 Ų14.2 Ų4.20%0.0042%0.023CC..Hα-helixtrans-63.6-36.7176.664.1-89.8000113G66 G123 S124 S129 S130 I155 L156 C162 G165 G169 P171 A174 A305G66-W126 VanDerWaalsContact O-CD1 3.23Å; G123-W126 VanDerWaalsContact O-CD1 3.29Å; G123-W126 PolarHBondContact O-NE1 3.07Å; S124-W126 PolarHBondContact O-N 3.18Å; W126-S129 PolarHBondContact O-OG 3.32Å; W126-S130 WeakPolarHBondContact O-CB 3.18Å; W126-S130 PolarHBondContact O-N 3.03Å; W126-S130 PolarHBondContact O-OG 3.29Å; W126-I155 HydrophobicContact CE3-CG2 4.24Å; W126-I155 HydrophobicContact CH2-CG2 4.03Å; W126-I155 HydrophobicContact CZ3-CG2 3.44Å; W126-I155 VanDerWaalsContact CZ3-CG2 3.44Å; W126-L156 HydrophobicContact CZ2-CD1 3.99Å; W126-C162 HydrophobicContact CE3-CB 4.23Å; W126-C162 HydrophobicContact CH2-CB 3.47Å; W126-C162 VanDerWaalsContact CH2-CB 3.47Å; W126-C162 HydrophobicContact CZ3-CB 3.29Å; W126-G165 PolarHBondContact NE1-O 3.42Å; W126-G169 WeakPolarHBondContact CB-O 3.33Å; W126-G169 VanDerWaalsContact CD1-N 3.25Å; W126-P171 HydrophobicContact CB-CG 3.94Å; W126-A174 HydrophobicContact CE3-CB 4.3Å; W126-A174 HydrophobicContact CZ3-CB 4.25Å; W126-A305 HydrophobicContact CB-CB 4.48Å
127A98.7Very high97.8Very high0 Ų03.6 Ų3.60%02%0.02CC..Hα-helixtrans-80.2-42.117700000111.3S124 C125 S130 A131 I155 L156S124-A127 WeakPolarHBondContact O-CA 3.24Å; S124-A127 WeakPolarHBondContact O-CB 3.46Å; S124-A127 PolarHBondContact O-N 3.18Å; C125-A127 PolarHBondContact O-N 2.76Å; A127-S130 PolarHBondContact O-N 2.88Å; A127-A131 VanDerWaalsContact O-CB 3.27Å; A127-A131 WeakPolarHBondContact O-CB 3.38Å; A127-A131 PolarHBondContact O-N 3.46Å; A127-I155 HydrophobicContact CB-CB 4.15Å; A127-I155 HydrophobicContact CB-CG2 3.68Å; A127-L156 HydrophobicContact CB-CB 4.16Å
128V98.8Very high97.8Very high2 Ų23.5 Ų3.51%0.0122%0.019CC..Hα-helixtrans-64.6-49.5-178.6174.10000111.5K117 Q119 S124 C125 S132 E152K117-V128 HydrophobicContact CB-CG1 3.5Å; K117-V128 HydrophobicContact CD-CG1 4Å; K117-V128 HydrophobicContact CG-CG1 4.33Å; Q119-V128 HydrophobicContact CB-CG2 3.99Å; S124-V128 WeakPolarHBondContact O-CG2 3.44Å; S124-V128 PolarHBondContact O-N 3.1Å; C125-V128 PolarHBondContact O-N 2.83Å; V128-S132 WeakPolarHBondContact O-CB 3.32Å; V128-S132 PolarHBondContact O-N 3.37Å; V128-S132 PolarHBondContact O-OG 2.83Å; V128-E152 HydrophobicContact CG2-CB 4.08Å; V128-E152 HydrophobicContact CG2-CG 4.16Å
129S98.6Very high97.9Very high5 Ų52.4 Ų2.44%0.0351%0.014CC..Hα-helixtrans-63-45.4176.956.90000111.4C125 W126 S132 V133C125-S129 VanDerWaalsContact O-CB 3.28Å; C125-S129 WeakPolarHBondContact O-CB 3.4Å; C125-S129 PolarHBondContact O-N 2.75Å; C125-S129 PolarHBondContact O-OG 3.29Å; W126-S129 PolarHBondContact O-OG 3.32Å; S129-S132 WeakPolarHBondContact O-CB 3.36Å; S129-S132 PolarHBondContact O-N 2.91Å; S129-V133 WeakPolarHBondContact O-CG2 3.02Å; S129-V133 PolarHBondContact O-N 3.26Å
130S98.1Very high97.9Very high0 Ų03.2 Ų3.20%02%0.018CC..Hα-helixtrans-59.4-51.6177.4-63.40000112.1W126 A127 S132 V133 M134W126-S130 WeakPolarHBondContact O-CB 3.18Å; W126-S130 PolarHBondContact O-N 3.03Å; W126-S130 PolarHBondContact O-OG 3.29Å; A127-S130 PolarHBondContact O-N 2.88Å; S130-S132 VanDerWaalsContact C-N 3.25Å; S130-S132 PolarHBondContact O-N 3.31Å; S130-V133 PolarHBondContact O-N 2.81Å; S130-M134 WeakPolarHBondContact O-CG 3.5Å; S130-M134 PolarHBondContact O-N 2.69Å
131A98.7Very high97.8Very high0 Ų05.7 Ų5.70%04%0.038CC..Hα-helixtrans-59.2-38.1178.400000112.2A127 S135 E152 I155A127-A131 VanDerWaalsContact O-CB 3.27Å; A127-A131 WeakPolarHBondContact O-CB 3.38Å; A127-A131 PolarHBondContact O-N 3.46Å; A131-S135 WeakPolarHBondContact O-CB 3.44Å; A131-S135 PolarHBondContact O-N 3.48Å; A131-S135 PolarHBondContact O-OG 3.05Å; A131-E152 HydrophobicContact CB-CB 3.91Å; A131-I155 HydrophobicContact CB-CD1 3.82Å
132S98.6Very high97.9Very high5 Ų55 Ų54%0.0354%0.036CC..Hα-helixtrans-64.8-50.4177.1-57.20000111.2K117 V128 S129 S130 M134 S135 D136K117-S132 WeakPolarHBondContact CD-OG 3.41Å; K117-S132 WeakPolarHBondContact CE-OG 3.19Å; V128-S132 WeakPolarHBondContact O-CB 3.32Å; V128-S132 PolarHBondContact O-N 3.37Å; V128-S132 PolarHBondContact O-OG 2.83Å; S129-S132 WeakPolarHBondContact O-CB 3.36Å; S129-S132 PolarHBondContact O-N 2.91Å; S130-S132 VanDerWaalsContact C-N 3.25Å; S130-S132 PolarHBondContact O-N 3.31Å; S132-M134 VanDerWaalsContact C-N 3.33Å; S132-M134 PolarHBondContact O-N 2.91Å; S132-S135 WeakPolarHBondContact O-CB 3.29Å; S132-S135 PolarHBondContact O-N 3.18Å; S132-S135 VanDerWaalsContact O-N 3.16Å; S132-D136 PolarHBondContact O-N 2.67Å
133V98Very high97.9Very high0 Ų010.8 Ų10.80%07%0.066CC..Hα-helixtrans-59.8-42.7177.3167.10000111.9S129 S130 S135 D136 R137 F175 P274 V276 R307 A353S129-V133 WeakPolarHBondContact O-CG2 3.02Å; S129-V133 PolarHBondContact O-N 3.26Å; S130-V133 PolarHBondContact O-N 2.81Å; V133-S135 VanDerWaalsContact C-N 3.35Å; V133-S135 PolarHBondContact O-N 3.4Å; V133-D136 PolarHBondContact O-N 3.09Å; V133-R137 HydrophobicContact CG1-CG 4.28Å; V133-R137 WeakPolarHBondContact O-CB 3.4Å; V133-R137 VanDerWaalsContact O-CG 3.31Å; V133-R137 WeakPolarHBondContact O-CG 3.36Å; V133-R137 PolarHBondContact O-N 2.79Å; V133-F175 HydrophobicContact CB-CZ 4.07Å; V133-F175 HydrophobicContact CG1-CE1 4.18Å; V133-F175 HydrophobicContact CG1-CZ 3.67Å; V133-P274 VanDerWaalsContact CG1-O 3.24Å; V133-P274 WeakPolarHBondContact CG1-O 3.17Å; V133-P274 HydrophobicContact CG2-CB 4.17Å; V133-V276 HydrophobicContact CB-CG2 4.04Å; V133-V276 HydrophobicContact CG2-CG2 3.61Å; V133-R307 HydrophobicContact CG2-CB 4.3Å; V133-R307 HydrophobicContact CG2-CG 3.7Å; V133-A353 HydrophobicContact CG1-CB 4Å
134M97.5Very high97.8Very high0 Ų011.5 Ų11.50%07%0.074CC..Hα-helixtrans-59.9-46176.1-64.6165.2-173.500111.4S130 S132 R137 I138 L150 I155 A174 F175 W178 V183S130-M134 WeakPolarHBondContact O-CG 3.5Å; S130-M134 PolarHBondContact O-N 2.69Å; S132-M134 VanDerWaalsContact C-N 3.33Å; S132-M134 PolarHBondContact O-N 2.91Å; M134-R137 PolarHBondContact O-N 3.35Å; M134-I138 VanDerWaalsContact O-CG1 3.25Å; M134-I138 WeakPolarHBondContact O-CG1 3.48Å; M134-I138 PolarHBondContact O-N 3.05Å; M134-L150 HydrophobicContact CB-CD1 3.5Å; M134-L150 VanDerWaalsContact CB-CD1 3.5Å; M134-L150 HydrophobicContact CB-CG 4.41Å; M134-L150 HydrophobicContact CG-CD1 4.4Å; M134-L150 HydrophobicContact SD-CD1 4.21Å; M134-I155 HydrophobicContact CE-CD1 4.31Å; M134-I155 HydrophobicContact SD-CD1 4Å; M134-A174 HydrophobicContact CE-CB 4.43Å; M134-A174 WeakPolarHBondContact CE-O 3.43Å; M134-F175 HydrophobicContact CE-CB 4.48Å; M134-F175 HydrophobicContact CE-CD1 3.72Å; M134-F175 HydrophobicContact CE-CD2 4.34Å; M134-F175 HydrophobicContact CE-CE1 3.9Å; M134-F175 HydrophobicContact CE-CE2 4.48Å; M134-F175 HydrophobicContact CE-CG 3.94Å; M134-F175 HydrophobicContact CE-CZ 4.26Å; M134-F175 HydrophobicContact CG-CD1 4.25Å; M134-F175 HydrophobicContact CG-CE1 3.7Å; M134-F175 HydrophobicContact CG-CZ 4.28Å; M134-W178 HydrophobicContact CB-CD2 4.22Å; M134-W178 HydrophobicContact CB-CE3 4.3Å; M134-W178 HydrophobicContact CB-CH2 4.05Å; M134-W178 HydrophobicContact CB-CZ2 4.02Å; M134-W178 HydrophobicContact CB-CZ3 4.2Å; M134-W178 HydrophobicContact CE-CB 3.6Å; M134-W178 HydrophobicContact CE-CD2 4.24Å; M134-W178 HydrophobicContact CE-CE3 4.19Å; M134-W178 HydrophobicContact CE-CG 4.05Å; M134-W178 HydrophobicContact CG-CD2 3.66Å; M134-W178 HydrophobicContact CG-CE3 3.54Å; M134-W178 HydrophobicContact CG-CG 4.24Å; M134-W178 HydrophobicContact CG-CH2 4.13Å; M134-W178 HydrophobicContact CG-CZ2 4.29Å; M134-W178 HydrophobicContact CG-CZ3 3.77Å; M134-W178 HydrophobicContact SD-CB 3.83Å; M134-W178 HydrophobicContact SD-CD2 3.78Å; M134-W178 HydrophobicContact SD-CE3 4.11Å; M134-W178 HydrophobicContact SD-CG 3.68Å; M134-V183 HydrophobicContact SD-CG2 4.33Å
135S98.2Very high97.7Very high1 Ų116.3 Ų16.31%0.00711%0.107CC..Hα-helixtrans-59.3-47.9178.2-54.80000111.6A131 S132 V133 I138 C139 V148 L150A131-S135 WeakPolarHBondContact O-CB 3.44Å; A131-S135 PolarHBondContact O-N 3.48Å; A131-S135 PolarHBondContact O-OG 3.05Å; S132-S135 WeakPolarHBondContact O-CB 3.29Å; S132-S135 PolarHBondContact O-N 3.18Å; S132-S135 VanDerWaalsContact O-N 3.16Å; V133-S135 VanDerWaalsContact C-N 3.35Å; V133-S135 PolarHBondContact O-N 3.4Å; S135-I138 PolarHBondContact O-N 2.78Å; S135-C139 PolarHBondContact O-N 2.93Å; S135-V148 WeakPolarHBondContact CB-O 3.44Å; S135-L150 PolarHBondContact OG-N 3.3Å
136D98.4Very high97.5Very high2 Ų217.8 Ų17.81%0.01111%0.114CC..Hα-helixtrans-64.5-45-178.6-61.7-22.6000111.4I113 S132 V133 I138 C139 I140 P274 R307I113-D136 WeakPolarHBondContact CA-OD1 3.19Å; I113-D136 HydrophobicContact CG1-CB 4.02Å; S132-D136 PolarHBondContact O-N 2.67Å; V133-D136 PolarHBondContact O-N 3.09Å; D136-I138 PolarHBondContact O-N 3.14Å; D136-C139 PolarHBondContact O-N 3.31Å; D136-I140 WeakPolarHBondContact O-CG1 3.21Å; D136-I140 PolarHBondContact O-N 3.06Å; D136-P274 HydrophobicContact CB-CB 4.41Å; D136-P274 HydrophobicContact CB-CG 3.82Å; D136-R307 IonicContact OD1-NH1 3.67Å; D136-R307 PolarHBondContact OD1-NH1 3.36Å; D136-R307 WeakPolarHBondContact OD2-CD 3.47Å; D136-R307 IonicContact OD2-CZ 2.65Å; D136-R307 IonicContact OD2-NE 3.1Å; D136-R307 IonicContact OD2-NH1 3.78Å; D136-R307 PolarHBondContact OD2-NH1 3.36Å
137R97.3Very high97.4Very high2 Ų220.9 Ų20.91%0.00813%0.129CC..Hα-helixtrans-67.6-33.7-179.8-70.8-170167-140.5-14.2112.5V133 M134 A141 D268 G273 P274 S354V133-R137 HydrophobicContact CG1-CG 4.28Å; V133-R137 WeakPolarHBondContact O-CB 3.4Å; V133-R137 VanDerWaalsContact O-CG 3.31Å; V133-R137 WeakPolarHBondContact O-CG 3.36Å; V133-R137 PolarHBondContact O-N 2.79Å; M134-R137 PolarHBondContact O-N 3.35Å; R137-A141 VanDerWaalsContact O-CB 3.23Å; R137-A141 WeakPolarHBondContact O-CB 3.26Å; R137-A141 PolarHBondContact O-N 2.91Å; R137-D268 IonicContact CZ-OD1 3.46Å; R137-D268 IonicContact NH1-OD1 3.53Å; R137-D268 IonicContact NH2-OD1 3.61Å; R137-D268 PolarHBondContact NH2-OD1 3.38Å; R137-D268 IonicContact NH2-OD2 3.05Å; R137-G273 PolarHBondContact NH2-O 3.23Å; R137-P274 PolarHBondContact NE-O 3.04Å; R137-P274 PolarHBondContact NH2-O 3.23Å; R137-S354 WeakPolarHBondContact CD-O 3.28Å
138I96.9Very high97.2Very high2 Ų222.4 Ų22.41%0.0114%0.138CC..Hα-helixtrans-58.6-50.4169.7-71165.3000110.2M134 S135 D136 I140 A141 S142 E146 V148 L150 W178 T233 P356M134-I138 VanDerWaalsContact O-CG1 3.25Å; M134-I138 WeakPolarHBondContact O-CG1 3.48Å; M134-I138 PolarHBondContact O-N 3.05Å; S135-I138 PolarHBondContact O-N 2.78Å; D136-I138 PolarHBondContact O-N 3.14Å; I138-I140 PolarHBondContact O-N 3.26Å; I138-A141 PolarHBondContact O-N 3.38Å; I138-S142 VanDerWaalsContact O-CB 3.28Å; I138-S142 WeakPolarHBondContact O-CB 3.43Å; I138-S142 PolarHBondContact O-N 3.16Å; I138-S142 PolarHBondContact O-OG 3.44Å; I138-E146 HydrophobicContact CG2-CB 3.6Å; I138-E146 WeakPolarHBondContact CG2-OE2 3.3Å; I138-V148 HydrophobicContact CB-CG2 4.25Å; I138-V148 HydrophobicContact CD1-CG2 3.67Å; I138-V148 HydrophobicContact CG2-CG2 3.87Å; I138-L150 HydrophobicContact CD1-CD1 3.86Å; I138-L150 HydrophobicContact CD1-CD2 4.17Å; I138-L150 HydrophobicContact CD1-CG 4.14Å; I138-W178 HydrophobicContact CD1-CZ2 3.93Å; I138-W178 HydrophobicContact CG1-CZ2 3.97Å; I138-T233 HydrophobicContact CD1-CG2 4.11Å; I138-P356 HydrophobicContact CB-CB 4.38Å; I138-P356 HydrophobicContact CG1-CB 3.57Å; I138-P356 HydrophobicContact CG1-CG 4.37Å
139C98.2Very high97.2Very high6 Ų622.9 Ų22.94%0.04114%0.141CC..Hα-helixtrans-63.1-43.5-178.9-177.30000112.5C110 S135 D136 S142 N143 G144 E146C110-C139 WeakPolarHBondContact CA-SG 3.34Å; C110-C139 HydrophobicContact CB-CB 3.87Å; C110-C139 WeakPolarHBondContact CB-SG 3.47Å; C110-C139 WeakPolarHBondContact SG-CB 3.41Å; C110-C139 CovalentContact SG-SG 2.03Å; C110-C139 PolarHBondContact SG-SG 2.95Å; S135-C139 PolarHBondContact O-N 2.93Å; D136-C139 PolarHBondContact O-N 3.31Å; C139-S142 PolarHBondContact O-N 3.4Å; C139-S142 PolarHBondContact O-OG 3.06Å; C139-S142 VanDerWaalsContact O-OG 3.1Å; C139-N143 PolarHBondContact O-N 2.81Å; C139-G144 PolarHBondContact O-N 3.34Å; C139-E146 VanDerWaalsContact CA-O 3.32Å; C139-E146 WeakPolarHBondContact CA-O 3.48Å
140I97.3Very high97.1Very high17 Ų1722.7 Ų22.79%0.08714%0.139CC..Hα-helixtrans-63.5-49.1178.6-69.3167.4000110.9V103 Y107 I113 D136 I138 S142 N143V103-I140 HydrophobicContact CG1-CD1 3.81Å; Y107-I140 HydrophobicContact CD1-CG1 4.29Å; Y107-I140 HydrophobicContact CD1-CG2 4.4Å; Y107-I140 HydrophobicContact CD2-CD1 3.87Å; Y107-I140 HydrophobicContact CD2-CG1 3.83Å; Y107-I140 HydrophobicContact CE1-CG2 3.89Å; Y107-I140 HydrophobicContact CE2-CD1 4.01Å; Y107-I140 HydrophobicContact CE2-CG1 4.12Å; Y107-I140 HydrophobicContact CE2-CG2 4.06Å; Y107-I140 HydrophobicContact CG-CD1 4.45Å; Y107-I140 HydrophobicContact CG-CG1 3.91Å; I113-I140 HydrophobicContact CD1-CD1 4.01Å; I113-I140 HydrophobicContact CD1-CG1 4.1Å; D136-I140 WeakPolarHBondContact O-CG1 3.21Å; D136-I140 PolarHBondContact O-N 3.06Å; I138-I140 PolarHBondContact O-N 3.26Å; I140-S142 VanDerWaalsContact C-N 3.3Å; I140-S142 PolarHBondContact O-N 3.44Å; I140-N143 PolarHBondContact O-N 2.66Å; I140-N143 VanDerWaalsContact O-N 3.13Å
141A95.5Very high97.2Very high51 Ų5122.7 Ų22.742%0.42114%0.139SC..Hα-helixtrans-66.4-33-177.500000112.6R137 I138 N143 P356 L358R137-A141 VanDerWaalsContact O-CB 3.23Å; R137-A141 WeakPolarHBondContact O-CB 3.26Å; R137-A141 PolarHBondContact O-N 2.91Å; I138-A141 PolarHBondContact O-N 3.38Å; A141-N143 VanDerWaalsContact C-N 3.26Å; A141-N143 PolarHBondContact O-N 2.87Å; A141-P356 HydrophobicContact CB-CG 3.46Å; A141-P356 VanDerWaalsContact CB-CG 3.46Å; A141-L358 HydrophobicContact CB-CD1 4.21Å; A141-L358 HydrophobicContact CB-CD2 3.98Å; A141-L358 HydrophobicContact CB-CG 4.36Å; A141-L358 WeakPolarHBondContact O-CD1 3.34Å
142S96.5Very high97.2Very high12 Ų1222.8 Ų22.88%0.08414%0.14CC..THydrogen-bonded Turntrans-82.82.4176.566.20000113.7I138 C139 I140 G144 S145 E146I138-S142 VanDerWaalsContact O-CB 3.28Å; I138-S142 WeakPolarHBondContact O-CB 3.43Å; I138-S142 PolarHBondContact O-N 3.16Å; I138-S142 PolarHBondContact O-OG 3.44Å; C139-S142 PolarHBondContact O-N 3.4Å; C139-S142 PolarHBondContact O-OG 3.06Å; C139-S142 VanDerWaalsContact O-OG 3.1Å; I140-S142 VanDerWaalsContact C-N 3.3Å; I140-S142 PolarHBondContact O-N 3.44Å; S142-G144 PolarHBondContact O-N 2.94Å; S142-S145 WeakPolarHBondContact CB-OG 3.31Å; S142-S145 PolarHBondContact O-N 3.29Å; S142-S145 PolarHBondContact O-OG 2.93Å; S142-E146 PolarHBondContact OG-N 2.64Å; S142-E146 VanDerWaalsContact OG-N 3.08Å
143N96.6Very high97.2Very high120 Ų12023 Ų2364%0.64214%0.14SC*.THydrogen-bonded Turntrans51.437.6-173.2-167.450.1000112.5Y109 C139 I140 A141Y109-N143 VanDerWaalsContact CE2-C 3.48Å; Y109-N143 PolarHBondContact OH-OD1 3.13Å; C139-N143 PolarHBondContact O-N 2.81Å; I140-N143 PolarHBondContact O-N 2.66Å; I140-N143 VanDerWaalsContact O-N 3.13Å; A141-N143 VanDerWaalsContact C-N 3.26Å; A141-N143 PolarHBondContact O-N 2.87Å
144G96.5Very high97.2Very high15 Ų1523 Ų2316%0.15514%0.14CC..THydrogen-bonded Turntrans85.9-2.4176.400000116.2C139 S142 E146 Q147C139-G144 PolarHBondContact O-N 3.34Å; S142-G144 PolarHBondContact O-N 2.94Å; G144-E146 VanDerWaalsContact C-N 3.31Å; G144-Q147 WeakPolarHBondContact O-CG 3.45Å; G144-Q147 PolarHBondContact O-NE2 2.95Å
145S96.4Very high97.3Very high101 Ų10123 Ų2371%0.70614%0.14SC*.SBendtrans-71.2-26.6177.9670000112.8S142S142-S145 WeakPolarHBondContact CB-OG 3.31Å; S142-S145 PolarHBondContact O-N 3.29Å; S142-S145 PolarHBondContact O-OG 2.93Å
146E95.5Very high97.3Very high31 Ų3123.3 Ų23.315%0.14514%0.141CC..  trans-110.2105.3173.3-64.2-174.4-142.400111I138 C139 S142 G144 L359I138-E146 HydrophobicContact CG2-CB 3.6Å; I138-E146 WeakPolarHBondContact CG2-OE2 3.3Å; C139-E146 VanDerWaalsContact CA-O 3.32Å; C139-E146 WeakPolarHBondContact CA-O 3.48Å; S142-E146 PolarHBondContact OG-N 2.64Å; S142-E146 VanDerWaalsContact OG-N 3.08Å; G144-E146 VanDerWaalsContact C-N 3.31Å; E146-L359 PolarHBondContact OE1-N 3.3Å
147Q94.3Very high97.3Very high67 Ų6724.1 Ų24.131%0.31315%0.148SC..  trans-112.570.5179.5-60.4-148.131.900112.5Y109 G144Y109-Q147 PolarHBondContact O-NE2 3.1Å; Y109-Q147 PolarHBondContact O-OE1 3.36Å; G144-Q147 WeakPolarHBondContact O-CG 3.45Å; G144-Q147 PolarHBondContact O-NE2 2.95Å
148V95.6Very high97.4Very high32 Ų3225.2 Ų25.219%0.19416%0.155CC..  trans-97.2149.6-179.9-63.90000111.8S135 I138 L150 T185S135-V148 WeakPolarHBondContact CB-O 3.44Å; I138-V148 HydrophobicContact CB-CG2 4.25Å; I138-V148 HydrophobicContact CD1-CG2 3.67Å; I138-V148 HydrophobicContact CG2-CG2 3.87Å; V148-L150 HydrophobicContact CB-CD2 4.27Å; V148-L150 HydrophobicContact CG2-CD2 3.8Å; V148-L150 HydrophobicContact CG2-CG 4.41Å; V148-T185 HydrophobicContact CB-CG2 4.1Å; V148-T185 HydrophobicContact CG1-CG2 4Å
149L97.7Very high97.4Very high12 Ų1225.5 Ų25.56%0.06316%0.157CC..  trans-111109164.5-170.859.9000107.2Y112 F115 T185 G186Y112-L149 HydrophobicContact CD1-CD1 4.19Å; Y112-L149 HydrophobicContact CD1-CD2 4.27Å; Y112-L149 HydrophobicContact CD2-CB 4.04Å; Y112-L149 HydrophobicContact CD2-CD1 4.36Å; Y112-L149 HydrophobicContact CE1-CB 4.32Å; Y112-L149 HydrophobicContact CE1-CD2 4.08Å; Y112-L149 HydrophobicContact CE2-CB 3.78Å; Y112-L149 HydrophobicContact CG-CB 4.42Å; Y112-L149 HydrophobicContact CG-CD1 4.03Å; F115-L149 HydrophobicContact CD1-CD2 4.44Å; F115-L149 HydrophobicContact CE1-CD2 4.24Å; L149-T185 CarbonylContact O-C 3.54Å; L149-T185 WeakPolarHBondContact O-CA 3.4Å; L149-G186 PolarHBondContact O-N 2.85Å
150L98.5Very high97.3Very high0 Ų030 Ų300%020%0.195CC..BIsolated β-bridgetrans-75151-178.4-62.2-163.1000112K117 M134 S135 I138 V148 E152 V183 T233K117-L150 PolarHBondContact NZ-O 2.92Å; M134-L150 HydrophobicContact CB-CD1 3.5Å; M134-L150 VanDerWaalsContact CB-CD1 3.5Å; M134-L150 HydrophobicContact CB-CG 4.41Å; M134-L150 HydrophobicContact CG-CD1 4.4Å; M134-L150 HydrophobicContact SD-CD1 4.21Å; S135-L150 PolarHBondContact OG-N 3.3Å; I138-L150 HydrophobicContact CD1-CD1 3.86Å; I138-L150 HydrophobicContact CD1-CD2 4.17Å; I138-L150 HydrophobicContact CD1-CG 4.14Å; V148-L150 HydrophobicContact CB-CD2 4.27Å; V148-L150 HydrophobicContact CG2-CD2 3.8Å; V148-L150 HydrophobicContact CG2-CG 4.41Å; L150-E152 PolarHBondContact O-N 2.68Å; L150-E152 VanDerWaalsContact O-OE2 3.05Å; L150-V183 HydrophobicContact CB-CG1 3.93Å; L150-V183 HydrophobicContact CD1-CB 4.12Å; L150-V183 HydrophobicContact CD1-CG1 4.23Å; L150-T233 VanDerWaalsContact CD1-OG1 3.28Å; L150-T233 WeakPolarHBondContact CD1-OG1 3.43Å; L150-T233 HydrophobicContact CD2-CG2 3.95Å; L150-T233 WeakPolarHBondContact CD2-OG1 3.21Å
151S98.7Very high97.2Very high0 Ų033.8 Ų33.80%022%0.219CC..  trans-80.6100.9-173.4-1780000112.7E153 D154 I155 P184 K196S151-E153 PolarHBondContact O-N 3.25Å; S151-E153 WeakPolarHBondContact OG-CB 3.47Å; S151-E153 PolarHBondContact OG-N 3.31Å; S151-D154 PolarHBondContact O-N 3.32Å; S151-D154 PolarHBondContact OG-N 3.44Å; S151-I155 PolarHBondContact O-N 3.36Å; S151-P184 VanDerWaalsContact CB-O 3.27Å; S151-P184 WeakPolarHBondContact CB-O 3.21Å; S151-P184 PolarHBondContact N-O 2.97Å; S151-K196 WeakPolarHBondContact CB-O 2.97Å; S151-K196 WeakPolarHBondContact OG-CB 3.35Å; S151-K196 PolarHBondContact OG-O 3.44Å
152E98.7Very high97.2Very high3 Ų331.5 Ų31.51%0.01420%0.2CC..Hα-helixtrans-56.3-32161.760.4-89.1-144.800111.5K117 V128 A131 L150 I155 L156 Y198K117-E152 IonicContact NZ-OE1 3.84Å; K117-E152 IonicContact NZ-OE2 3.07Å; K117-E152 PolarHBondContact NZ-OE2 2.03Å; V128-E152 HydrophobicContact CG2-CB 4.08Å; V128-E152 HydrophobicContact CG2-CG 4.16Å; A131-E152 HydrophobicContact CB-CB 3.91Å; L150-E152 PolarHBondContact O-N 2.68Å; L150-E152 VanDerWaalsContact O-OE2 3.05Å; E152-I155 PolarHBondContact O-N 2.85Å; E152-L156 WeakPolarHBondContact O-CB 3.07Å; E152-L156 PolarHBondContact O-N 2.82Å; E152-Y198 HydrophobicContact CG-CD2 3.51Å; E152-Y198 HydrophobicContact CG-CE2 4.03Å; E152-Y198 HydrophobicContact CG-CG 4.15Å
153E98.7Very high97.1Very high10 Ų1032.8 Ų32.85%0.04722%0.215CC..Hα-helixtrans-61.8-45.7176.2-177.677-171.100111.9S151 L156 S157 K196 S199 P214S151-E153 PolarHBondContact O-N 3.25Å; S151-E153 WeakPolarHBondContact OG-CB 3.47Å; S151-E153 PolarHBondContact OG-N 3.31Å; E153-L156 PolarHBondContact O-N 2.88Å; E153-S157 VanDerWaalsContact O-CB 3.28Å; E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 3.12Å; E153-S157 PolarHBondContact O-OG 3.27Å; E153-K196 HydrophobicContact CB-CB 4.47Å; E153-S199 WeakPolarHBondContact OE1-CB 3.21Å; E153-S199 PolarHBondContact OE1-OG 2.9Å; E153-S199 PolarHBondContact OE2-N 2.98Å; E153-S199 PolarHBondContact OE2-OG 3.48Å; E153-S199 VanDerWaalsContact OE2-OG 3.04Å; E153-P214 WeakPolarHBondContact OE1-CB 3.47Å; E153-P214 WeakPolarHBondContact OE1-CG 3.5Å
154D98.8Very high97.1Very high0 Ų031 Ų310%021%0.212CC..Hα-helixtrans-66-41.9178.7-169.782000111.2S151 C158 Y177 P184 K196 R232S151-D154 PolarHBondContact O-N 3.32Å; S151-D154 PolarHBondContact OG-N 3.44Å; D154-C158 WeakPolarHBondContact O-CB 3.41Å; D154-C158 PolarHBondContact O-N 3.05Å; D154-Y177 VanDerWaalsContact OD2-CE1 3.27Å; D154-Y177 WeakPolarHBondContact OD2-CE1 3.42Å; D154-Y177 PolarHBondContact OD2-OH 3.14Å; D154-P184 HydrophobicContact CB-CG 3.7Å; D154-P184 VanDerWaalsContact OD2-CD 3.28Å; D154-P184 WeakPolarHBondContact OD2-CD 3.41Å; D154-K196 HydrophobicContact CB-CD 3.83Å; D154-K196 WeakPolarHBondContact OD1-CD 3.28Å; D154-K196 WeakPolarHBondContact OD1-CE 3.37Å; D154-K196 IonicContact OD1-NZ 3.01Å; D154-K196 PolarHBondContact OD1-NZ 2.89Å; D154-R232 IonicContact OD1-CZ 3.66Å; D154-R232 IonicContact OD1-NH1 3.21Å; D154-R232 IonicContact OD1-NH2 3.36Å; D154-R232 PolarHBondContact OD1-NH2 3.37Å; D154-R232 IonicContact OD2-CZ 2.87Å; D154-R232 IonicContact OD2-NH1 2.71Å; D154-R232 PolarHBondContact OD2-NH1 2.92Å; D154-R232 IonicContact OD2-NH2 3.58Å; D154-R232 PolarHBondContact OD2-NH2 2.95Å
155I98.7Very high97.2Very high0 Ų030.4 Ų30.40%021%0.206CC..Hα-helixtrans-62-49.9175.4-67.4161.4000110W126 A127 A131 M134 S151 E152 C159 A174 Y177 V183W126-I155 HydrophobicContact CE3-CG2 4.24Å; W126-I155 HydrophobicContact CH2-CG2 4.03Å; W126-I155 HydrophobicContact CZ3-CG2 3.44Å; W126-I155 VanDerWaalsContact CZ3-CG2 3.44Å; A127-I155 HydrophobicContact CB-CB 4.15Å; A127-I155 HydrophobicContact CB-CG2 3.68Å; A131-I155 HydrophobicContact CB-CD1 3.82Å; M134-I155 HydrophobicContact CE-CD1 4.31Å; M134-I155 HydrophobicContact SD-CD1 4Å; S151-I155 PolarHBondContact O-N 3.36Å; E152-I155 PolarHBondContact O-N 2.85Å; I155-C159 WeakPolarHBondContact O-CB 3.46Å; I155-C159 PolarHBondContact O-N 2.72Å; I155-A174 HydrophobicContact CG2-CB 3.7Å; I155-Y177 HydrophobicContact CG1-CD1 4.31Å; I155-V183 HydrophobicContact CD1-CG1 3.94Å; I155-V183 HydrophobicContact CD1-CG2 3.96Å; I155-V183 HydrophobicContact CG1-CG1 3.99Å; I155-V183 HydrophobicContact CG1-CG2 3.69Å
156L98.8Very high97.2Very high6 Ų625.6 Ų25.63%0.03117%0.173CC..Hα-helixtrans-60.8-45.7-177.7177.866.7000112.7W126 A127 E152 E153 Y198 I200 P214W126-L156 HydrophobicContact CZ2-CD1 3.99Å; A127-L156 HydrophobicContact CB-CB 4.16Å; E152-L156 WeakPolarHBondContact O-CB 3.07Å; E152-L156 PolarHBondContact O-N 2.82Å; E153-L156 PolarHBondContact O-N 2.88Å; L156-Y198 HydrophobicContact CD2-CE2 3.96Å; L156-I200 HydrophobicContact CD2-CD1 4.36Å; L156-P214 HydrophobicContact CD2-CG 4.43Å
157S98.5Very high97.3Very high20 Ų2028.6 Ų28.614%0.1419%0.189CC..Hα-helixtrans-96.4-27.4-168.363.50000114.4E153 P214 C216E153-S157 VanDerWaalsContact O-CB 3.28Å; E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 3.12Å; E153-S157 PolarHBondContact O-OG 3.27Å; S157-P214 WeakPolarHBondContact CB-O 3.01Å; S157-C216 VanDerWaalsContact O-CB 3.31Å; S157-C216 WeakPolarHBondContact O-CB 3.46Å
158C98.6Very high97.5Very high25 Ų2525.4 Ų25.417%0.16917%0.174CC..Hα-helixtrans-110.7-17.1-171.1-60.80000114.6D154 A160 K196 C216D154-C158 WeakPolarHBondContact O-CB 3.41Å; D154-C158 PolarHBondContact O-N 3.05Å; C158-A160 PolarHBondContact O-N 2.67Å; C158-A160 VanDerWaalsContact O-N 3.11Å; C158-K196 PolarHBondContact SG-NZ 2.88Å; C158-C216 VanDerWaalsContact CA-SG 3.58Å; C158-C216 HydrophobicContact CB-CB 3.91Å; C158-C216 WeakPolarHBondContact CB-SG 3.32Å; C158-C216 WeakPolarHBondContact SG-CA 3.3Å; C158-C216 WeakPolarHBondContact SG-CB 3.21Å; C158-C216 CovalentContact SG-SG 2.04Å; C158-C216 PolarHBondContact SG-SG 3.5Å
159C98.3Very high97.6Very high7 Ų723.9 Ų23.95%0.04717%0.166CC..  trans-81.492.4-179.9-177.30000111.8I155 T161 C162 Y177I155-C159 WeakPolarHBondContact O-CB 3.46Å; I155-C159 PolarHBondContact O-N 2.72Å; C159-T161 PolarHBondContact O-N 3.33Å; C159-T161 VanDerWaalsContact O-N 3.14Å; C159-C162 HydrophobicContact CB-CB 3.62Å; C159-C162 WeakPolarHBondContact CB-SG 3.47Å; C159-C162 PolarHBondContact O-N 3.01Å; C159-C162 VanDerWaalsContact O-N 3.16Å; C159-C162 WeakPolarHBondContact SG-CB 3.45Å; C159-C162 PolarHBondContact SG-N 2.66Å; C159-C162 CovalentContact SG-SG 2.01Å; C159-C162 PolarHBondContact SG-SG 2.91Å; C159-Y177 HydrophobicContact CB-CD1 4.27Å; C159-Y177 HydrophobicContact CB-CD2 3.8Å; C159-Y177 HydrophobicContact CB-CE2 4.13Å; C159-Y177 HydrophobicContact CB-CG 3.88Å
160A96Very high97.4Very high101 Ų10123.9 Ų23.984%0.83517%0.165SC*.THydrogen-bonded Turntrans-63-19.3-178.800000115.1C158C158-A160 PolarHBondContact O-N 2.67Å; C158-A160 VanDerWaalsContact O-N 3.11Å
161T94.4Very high97.2Very high97 Ų9723.9 Ų23.960%0.59517%0.165SC*.THydrogen-bonded Turntrans-101.5-4.9179620000113.3C159 E173C159-T161 PolarHBondContact O-N 3.33Å; C159-T161 VanDerWaalsContact O-N 3.14Å; T161-E173 WeakPolarHBondContact O-CG 3.37Å; T161-E173 PolarHBondContact OG1-OE2 2.9Å
162C95.4Very high96.8Very high2 Ų224.2 Ų24.21%0.01417%0.167CC..THydrogen-bonded Turntrans-80.5-21.6-174.7-680000113.8W126 C159 G169 N170 E173 A174W126-C162 HydrophobicContact CE3-CB 4.23Å; W126-C162 HydrophobicContact CH2-CB 3.47Å; W126-C162 VanDerWaalsContact CH2-CB 3.47Å; W126-C162 HydrophobicContact CZ3-CB 3.29Å; C159-C162 HydrophobicContact CB-CB 3.62Å; C159-C162 WeakPolarHBondContact CB-SG 3.47Å; C159-C162 PolarHBondContact O-N 3.01Å; C159-C162 VanDerWaalsContact O-N 3.16Å; C159-C162 WeakPolarHBondContact SG-CB 3.45Å; C159-C162 PolarHBondContact SG-N 2.66Å; C159-C162 CovalentContact SG-SG 2.01Å; C159-C162 PolarHBondContact SG-SG 2.91Å; C162-G169 CarbonylContact O-C 3.6Å; C162-G169 WeakPolarHBondContact O-CA 3.43Å; C162-N170 PolarHBondContact O-N 2.93Å; C162-E173 HydrophobicContact CB-CB 4.15Å; C162-E173 PolarHBondContact SG-O 2.76Å; C162-E173 VanDerWaalsContact SG-O 3.4Å; C162-A174 VanDerWaalsContact SG-CA 3.55Å; C162-A174 PolarHBondContact SG-N 2.69Å; C162-A174 VanDerWaalsContact SG-N 3.38Å
163G94.3Very high96.5Very high39 Ų3926.7 Ų26.740%0.40218%0.179SC..BIsolated β-bridgetrans145-153.6-175.600000111.1G168G163-G168 CarbonylContact C-O 3.52Å
164S97Very high96.4Very high82 Ų8226.2 Ų26.257%0.57318%0.177SC*.SBendtrans-109.634.7-174.2-60.10000111.9C166 D167 G168 T213S164-C166 PolarHBondContact O-N 2.98Å; S164-D167 WeakPolarHBondContact O-CB 3.2Å; S164-D167 PolarHBondContact O-N 2.91Å; S164-D167 VanDerWaalsContact O-N 3.08Å; S164-G168 PolarHBondContact N-O 3.2Å; S164-T213 PolarHBondContact O-OG1 3.33Å
165G97.7Very high96.1Very high4 Ų426.2 Ų26.24%0.04118%0.177CC..G310 helixtrans67-120.117600000112.9W126 D167 G168 T213W126-G165 PolarHBondContact NE1-O 3.42Å; G165-D167 PolarHBondContact O-N 2.91Å; G165-G168 PolarHBondContact O-N 3.08Å; G165-G168 VanDerWaalsContact O-N 3.14Å; G165-T213 WeakPolarHBondContact CA-OG1 3.07Å
166C98Very high95.8Very high0 Ų027 Ų270%018%0.181CC..G310 helixtrans-66-18.3174.8-69.50000113R63 C122 G123 S164 G168 T213R63-C166 VanDerWaalsContact CZ-C 3.41Å; R63-C166 PolarHBondContact NH1-O 3.24Å; R63-C166 VanDerWaalsContact NH2-CB 3.28Å; C122-C166 HydrophobicContact CB-CB 4.05Å; C122-C166 WeakPolarHBondContact CB-SG 3.45Å; C122-C166 WeakPolarHBondContact SG-CA 3.05Å; C122-C166 WeakPolarHBondContact SG-CB 3.28Å; C122-C166 CovalentContact SG-SG 2.03Å; C122-C166 PolarHBondContact SG-SG 3.04Å; G123-C166 WeakPolarHBondContact CA-O 3.04Å; G123-C166 PolarHBondContact N-O 3.36Å; G123-C166 VanDerWaalsContact N-O 3.16Å; S164-C166 PolarHBondContact O-N 2.98Å; C166-G168 PolarHBondContact O-N 2.83Å; C166-T213 PolarHBondContact N-OG1 2.98Å
167D97.4Very high95.6Very high93 Ų9327.8 Ų27.850%0.49718%0.184SC..G310 helixtrans-80.17172.1-61.9-81.8000113.9R63 S164 G165R63-D167 IonicContact CZ-OD1 3.28Å; R63-D167 IonicContact CZ-OD2 3.33Å; R63-D167 VanDerWaalsContact NH1-N 3.19Å; R63-D167 IonicContact NH1-OD1 3.66Å; R63-D167 PolarHBondContact NH1-OD1 3.45Å; R63-D167 IonicContact NH1-OD2 2.69Å; R63-D167 PolarHBondContact NH1-OD2 2.95Å; R63-D167 VanDerWaalsContact NH2-CG 3.34Å; R63-D167 IonicContact NH2-OD1 3.29Å; R63-D167 PolarHBondContact NH2-OD1 3.4Å; R63-D167 IonicContact NH2-OD2 2.57Å; R63-D167 PolarHBondContact NH2-OD2 3.1Å; S164-D167 WeakPolarHBondContact O-CB 3.2Å; S164-D167 PolarHBondContact O-N 2.91Å; S164-D167 VanDerWaalsContact O-N 3.08Å; G165-D167 PolarHBondContact O-N 2.91Å
168G97.8Very high95.5Very high0 Ų026.9 Ų26.90%018%0.177CC..  trans101.7168.7172.400000113.2G66 G163 S164 G165 C166G66-G168 CarbonylContact O-C 3.52Å; G66-G168 WeakPolarHBondContact O-CA 3.5Å; G163-G168 CarbonylContact C-O 3.52Å; S164-G168 PolarHBondContact N-O 3.2Å; G165-G168 PolarHBondContact O-N 3.08Å; G165-G168 VanDerWaalsContact O-N 3.14Å; C166-G168 PolarHBondContact O-N 2.83Å
169G97Very high95.2Very high1 Ų127.9 Ų27.91%0.0118%0.177CC..BIsolated β-bridgetrans-177.1-174.3-172.900000112.6G66 I68 W126 C162G66-G169 PolarHBondContact O-N 2.71Å; I68-G169 PolarHBondContact N-O 2.83Å; W126-G169 WeakPolarHBondContact CB-O 3.33Å; W126-G169 VanDerWaalsContact CD1-N 3.25Å; C162-G169 CarbonylContact O-C 3.6Å; C162-G169 WeakPolarHBondContact O-CA 3.43Å
170N94.2Very high95Very high11 Ų1134.4 Ų34.46%0.05921%0.205CC..  trans-122.6118.5-165.9-169.9-57.1000111I68 S70 C162 I172 E173 A174 Y350I68-N170 WeakPolarHBondContact O-CB 3.32Å; I68-N170 PolarHBondContact O-ND2 2.84Å; S70-N170 PolarHBondContact N-ND2 3.13Å; C162-N170 PolarHBondContact O-N 2.93Å; N170-I172 VanDerWaalsContact C-N 3.34Å; N170-I172 PolarHBondContact O-N 3.14Å; N170-I172 VanDerWaalsContact OD1-CB 3.31Å; N170-I172 WeakPolarHBondContact OD1-CB 3.28Å; N170-I172 WeakPolarHBondContact OD1-CD1 3.27Å; N170-I172 PolarHBondContact OD1-N 2.95Å; N170-E173 HydrophobicContact CB-CB 4.31Å; N170-E173 HydrophobicContact CB-CG 4.23Å; N170-E173 PolarHBondContact O-N 3.05Å; N170-E173 VanDerWaalsContact O-N 3.11Å; N170-A174 PolarHBondContact O-N 3.11Å; N170-A174 VanDerWaalsContact O-N 3.16Å; N170-Y350 PolarHBondContact OD1-OH 2.92Å
171P94.2Very high95Very high0 Ų036.3 Ų36.30%019%0.194CC..Hα-helixtrans-54.6-38176.9-31.537.2000115.5F67 W126 E173 A174 F175 V276 A305 Y350 V352F67-P171 HydrophobicContact CD2-CG 4.13Å; F67-P171 HydrophobicContact CE2-CG 4.4Å; W126-P171 HydrophobicContact CB-CG 3.94Å; P171-E173 VanDerWaalsContact C-N 3.26Å; P171-E173 PolarHBondContact O-N 3Å; P171-A174 WeakPolarHBondContact O-CA 3.36Å; P171-A174 VanDerWaalsContact O-CB 3.3Å; P171-A174 WeakPolarHBondContact O-CB 3.47Å; P171-A174 PolarHBondContact O-N 2.91Å; P171-F175 WeakPolarHBondContact O-CD2 3.41Å; P171-F175 PolarHBondContact O-N 3.48Å; P171-V276 HydrophobicContact CB-CB 4.49Å; P171-V276 HydrophobicContact CB-CG1 3.88Å; P171-V276 HydrophobicContact CG-CG1 3.88Å; P171-A305 HydrophobicContact CG-CB 4.01Å; P171-Y350 HydrophobicContact CB-CE1 3.98Å; P171-Y350 VanDerWaalsContact CD-OH 3.27Å; P171-Y350 WeakPolarHBondContact CD-OH 3.41Å; P171-Y350 HydrophobicContact CG-CE1 3.99Å; P171-V352 HydrophobicContact CB-CG1 3.57Å
172I91.2Very high95.1Very high7 Ų731.7 Ų31.74%0.03617%0.166CC..Hα-helixtrans-58.6-43.3176.2-61.5145.5000110.8N170 A174 F175 N176 L238 L250 G251 Y350 V352N170-I172 VanDerWaalsContact C-N 3.34Å; N170-I172 PolarHBondContact O-N 3.14Å; N170-I172 VanDerWaalsContact OD1-CB 3.31Å; N170-I172 WeakPolarHBondContact OD1-CB 3.28Å; N170-I172 WeakPolarHBondContact OD1-CD1 3.27Å; N170-I172 PolarHBondContact OD1-N 2.95Å; I172-A174 VanDerWaalsContact C-N 3.27Å; I172-A174 PolarHBondContact O-N 3.43Å; I172-F175 CarbonylContact O-C 3.37Å; I172-F175 PolarHBondContact O-N 3.29Å; I172-F175 VanDerWaalsContact O-N 3.14Å; I172-N176 PolarHBondContact O-N 2.6Å; I172-L238 HydrophobicContact CG2-CD1 4.14Å; I172-L250 HydrophobicContact CG2-CD2 3.91Å; I172-G251 WeakPolarHBondContact CD1-O 3.41Å; I172-Y350 HydrophobicContact CD1-CE2 3.7Å; I172-Y350 WeakPolarHBondContact CD1-OH 3.31Å; I172-Y350 HydrophobicContact CG1-CE2 4.32Å; I172-Y350 VanDerWaalsContact CG1-OH 3.26Å; I172-Y350 WeakPolarHBondContact CG1-OH 3.39Å; I172-Y350 PolarHBondContact N-OH 3.12Å; I172-V352 HydrophobicContact CG1-CB 4.34Å; I172-V352 HydrophobicContact CG1-CG2 4.02Å
173E92.4Very high95.2Very high55 Ų5531.6 Ų31.626%0.25717%0.165SC..Hα-helixtrans-66.7-33.8178.7-69.3-56.2131.300111.1T161 C162 N170 P171 N176 Y177T161-E173 WeakPolarHBondContact O-CG 3.37Å; T161-E173 PolarHBondContact OG1-OE2 2.9Å; C162-E173 HydrophobicContact CB-CB 4.15Å; C162-E173 PolarHBondContact SG-O 2.76Å; C162-E173 VanDerWaalsContact SG-O 3.4Å; N170-E173 HydrophobicContact CB-CB 4.31Å; N170-E173 HydrophobicContact CB-CG 4.23Å; N170-E173 PolarHBondContact O-N 3.05Å; N170-E173 VanDerWaalsContact O-N 3.11Å; P171-E173 VanDerWaalsContact C-N 3.26Å; P171-E173 PolarHBondContact O-N 3Å; E173-N176 WeakPolarHBondContact O-CB 3.49Å; E173-N176 PolarHBondContact O-N 3.44Å; E173-N176 PolarHBondContact OE1-ND2 3.49Å; E173-N176 VanDerWaalsContact OE1-ND2 3.09Å; E173-Y177 WeakPolarHBondContact O-CB 3.17Å; E173-Y177 PolarHBondContact O-N 3.29Å
174A95.7Very high95.4Very high0 Ų029.7 Ų29.70%015%0.146CC..Hα-helixtrans-62.2-41.9170.400000112.2W126 M134 I155 C162 N170 P171 I172 Y177 W178W126-A174 HydrophobicContact CE3-CB 4.3Å; W126-A174 HydrophobicContact CZ3-CB 4.25Å; M134-A174 HydrophobicContact CE-CB 4.43Å; M134-A174 WeakPolarHBondContact CE-O 3.43Å; I155-A174 HydrophobicContact CG2-CB 3.7Å; C162-A174 VanDerWaalsContact SG-CA 3.55Å; C162-A174 PolarHBondContact SG-N 2.69Å; C162-A174 VanDerWaalsContact SG-N 3.38Å; N170-A174 PolarHBondContact O-N 3.11Å; N170-A174 VanDerWaalsContact O-N 3.16Å; P171-A174 WeakPolarHBondContact O-CA 3.36Å; P171-A174 VanDerWaalsContact O-CB 3.3Å; P171-A174 WeakPolarHBondContact O-CB 3.47Å; P171-A174 PolarHBondContact O-N 2.91Å; I172-A174 VanDerWaalsContact C-N 3.27Å; I172-A174 PolarHBondContact O-N 3.43Å; A174-Y177 WeakPolarHBondContact O-CB 3.21Å; A174-Y177 PolarHBondContact O-N 3.16Å; A174-W178 PolarHBondContact O-N 3.39Å
175F93.6Very high95.5Very high0 Ų026.4 Ų26.40%012%0.122CC..Hα-helixtrans-69.2-34.8173.4-76.9-81.5000113V133 M134 P171 I172 Y177 W178 R179 L238 V276 V352 A353V133-F175 HydrophobicContact CB-CZ 4.07Å; V133-F175 HydrophobicContact CG1-CE1 4.18Å; V133-F175 HydrophobicContact CG1-CZ 3.67Å; M134-F175 HydrophobicContact CE-CB 4.48Å; M134-F175 HydrophobicContact CE-CD1 3.72Å; M134-F175 HydrophobicContact CE-CD2 4.34Å; M134-F175 HydrophobicContact CE-CE1 3.9Å; M134-F175 HydrophobicContact CE-CE2 4.48Å; M134-F175 HydrophobicContact CE-CG 3.94Å; M134-F175 HydrophobicContact CE-CZ 4.26Å; M134-F175 HydrophobicContact CG-CD1 4.25Å; M134-F175 HydrophobicContact CG-CE1 3.7Å; M134-F175 HydrophobicContact CG-CZ 4.28Å; P171-F175 WeakPolarHBondContact O-CD2 3.41Å; P171-F175 PolarHBondContact O-N 3.48Å; I172-F175 CarbonylContact O-C 3.37Å; I172-F175 PolarHBondContact O-N 3.29Å; I172-F175 VanDerWaalsContact O-N 3.14Å; F175-Y177 VanDerWaalsContact C-N 3.34Å; F175-W178 AromaticContact CD1-CE3 3.83Å; F175-W178 HydrophobicContact CD1-CE3 3.83Å; F175-W178 HydrophobicContact CD1-CZ3 4.16Å; F175-W178 HydrophobicContact CE1-CE3 4.21Å; F175-W178 HydrophobicContact CE1-CZ3 4.2Å; F175-W178 PolarHBondContact O-N 2.86Å; F175-R179 PolarHBondContact O-N 3.11Å; F175-L238 HydrophobicContact CB-CD2 3.76Å; F175-L238 HydrophobicContact CG-CD2 4.27Å; F175-V276 HydrophobicContact CE2-CG2 3.83Å; F175-V276 HydrophobicContact CZ-CG2 4.14Å; F175-V352 HydrophobicContact CD2-CB 4.45Å; F175-V352 HydrophobicContact CD2-CG1 3.93Å; F175-V352 HydrophobicContact CD2-CG2 3.71Å; F175-V352 HydrophobicContact CE2-CG1 3.87Å; F175-V352 HydrophobicContact CE2-CG2 4.25Å; F175-V352 HydrophobicContact CG-CG2 4.31Å; F175-A353 HydrophobicContact CE1-CB 4.46Å; F175-A353 HydrophobicContact CZ-CB 4.34Å
176N91.8Very high95.5Very high16 Ų1626.4 Ų26.49%0.08612%0.123CC..Hα-helixtrans-63.2-41171.5-76.7-28.3000111.2I172 E173 R179 K180 L238I172-N176 PolarHBondContact O-N 2.6Å; E173-N176 WeakPolarHBondContact O-CB 3.49Å; E173-N176 PolarHBondContact O-N 3.44Å; E173-N176 PolarHBondContact OE1-ND2 3.49Å; E173-N176 VanDerWaalsContact OE1-ND2 3.09Å; N176-R179 PolarHBondContact O-N 3Å; N176-R179 VanDerWaalsContact OD1-CZ 3.25Å; N176-R179 PolarHBondContact OD1-NH1 2.72Å; N176-R179 PolarHBondContact OD1-NH2 3.11Å; N176-K180 WeakPolarHBondContact O-CB 3.18Å; N176-K180 WeakPolarHBondContact O-CG 3.43Å; N176-K180 PolarHBondContact O-N 3.03Å; N176-L238 WeakPolarHBondContact OD1-CD1 3.31Å
177Y95.1Very high95.5Very high24 Ų2426.5 Ų26.59%0.09412%0.123CC..Hα-helixtrans-63.7-46.3174.5178.2-101.4000111.4D154 I155 C159 E173 A174 F175 R179 K180 K181 G182 V183 R232D154-Y177 VanDerWaalsContact OD2-CE1 3.27Å; D154-Y177 WeakPolarHBondContact OD2-CE1 3.42Å; D154-Y177 PolarHBondContact OD2-OH 3.14Å; I155-Y177 HydrophobicContact CG1-CD1 4.31Å; C159-Y177 HydrophobicContact CB-CD1 4.27Å; C159-Y177 HydrophobicContact CB-CD2 3.8Å; C159-Y177 HydrophobicContact CB-CE2 4.13Å; C159-Y177 HydrophobicContact CB-CG 3.88Å; E173-Y177 WeakPolarHBondContact O-CB 3.17Å; E173-Y177 PolarHBondContact O-N 3.29Å; A174-Y177 WeakPolarHBondContact O-CB 3.21Å; A174-Y177 PolarHBondContact O-N 3.16Å; F175-Y177 VanDerWaalsContact C-N 3.34Å; Y177-R179 VanDerWaalsContact C-N 3.27Å; Y177-R179 PolarHBondContact O-N 2.75Å; Y177-K180 PolarHBondContact O-N 2.79Å; Y177-K181 HydrophobicContact CD2-CB 3.91Å; Y177-K181 HydrophobicContact CD2-CG 3.89Å; Y177-K181 HydrophobicContact CE2-CB 3.67Å; Y177-K181 HydrophobicContact CE2-CG 3.79Å; Y177-K181 WeakPolarHBondContact O-CA 3.25Å; Y177-K181 PolarHBondContact O-N 2.01Å; Y177-G182 PolarHBondContact O-N 3.4Å; Y177-V183 HydrophobicContact CD1-CG2 3.84Å; Y177-V183 HydrophobicContact CE1-CG2 3.95Å; Y177-R232 PolarHBondContact OH-NH1 3.38Å
178W96.3Very high95.5Very high0 Ų024.7 Ų24.70%012%0.116CC..Hα-helixtrans-58.9-37.3174.6-176.344.8000112.9M134 I138 A174 F175 G182 V183 T233 H234 G235 P356M134-W178 HydrophobicContact CB-CD2 4.22Å; M134-W178 HydrophobicContact CB-CE3 4.3Å; M134-W178 HydrophobicContact CB-CH2 4.05Å; M134-W178 HydrophobicContact CB-CZ2 4.02Å; M134-W178 HydrophobicContact CB-CZ3 4.2Å; M134-W178 HydrophobicContact CE-CB 3.6Å; M134-W178 HydrophobicContact CE-CD2 4.24Å; M134-W178 HydrophobicContact CE-CE3 4.19Å; M134-W178 HydrophobicContact CE-CG 4.05Å; M134-W178 HydrophobicContact CG-CD2 3.66Å; M134-W178 HydrophobicContact CG-CE3 3.54Å; M134-W178 HydrophobicContact CG-CG 4.24Å; M134-W178 HydrophobicContact CG-CH2 4.13Å; M134-W178 HydrophobicContact CG-CZ2 4.29Å; M134-W178 HydrophobicContact CG-CZ3 3.77Å; M134-W178 HydrophobicContact SD-CB 3.83Å; M134-W178 HydrophobicContact SD-CD2 3.78Å; M134-W178 HydrophobicContact SD-CE3 4.11Å; M134-W178 HydrophobicContact SD-CG 3.68Å; I138-W178 HydrophobicContact CD1-CZ2 3.93Å; I138-W178 HydrophobicContact CG1-CZ2 3.97Å; A174-W178 PolarHBondContact O-N 3.39Å; F175-W178 AromaticContact CD1-CE3 3.83Å; F175-W178 HydrophobicContact CD1-CE3 3.83Å; F175-W178 HydrophobicContact CD1-CZ3 4.16Å; F175-W178 HydrophobicContact CE1-CE3 4.21Å; F175-W178 HydrophobicContact CE1-CZ3 4.2Å; F175-W178 PolarHBondContact O-N 2.86Å; W178-G182 VanDerWaalsContact O-CA 3.25Å; W178-G182 WeakPolarHBondContact O-CA 3.46Å; W178-G182 PolarHBondContact O-N 3.31Å; W178-V183 HydrophobicContact CB-CG2 3.89Å; W178-V183 HydrophobicContact CG-CG2 4.14Å; W178-T233 PolarHBondContact NE1-O 3.49Å; W178-T233 PolarHBondContact NE1-OG1 2.86Å; W178-T233 VanDerWaalsContact NE1-OG1 3.13Å; W178-H234 VanDerWaalsContact CE2-C 3.45Å; W178-H234 WeakPolarHBondContact O-CA 3.4Å; W178-G235 VanDerWaalsContact CE2-N 3.25Å; W178-G235 VanDerWaalsContact CE3-CA 3.46Å; W178-G235 PolarHBondContact O-N 3.38Å; W178-P356 HydrophobicContact CH2-CB 3.82Å; W178-P356 HydrophobicContact CZ2-CB 3.99Å
179R91.9Very high95.4Very high47 Ų4730.7 Ų30.718%0.17714%0.14CC..Hα-helixtrans-68.1-48.6173.7-177.1177.870.8-109.34.9112.8F175 N176 Y177F175-R179 PolarHBondContact O-N 3.11Å; N176-R179 PolarHBondContact O-N 3Å; N176-R179 VanDerWaalsContact OD1-CZ 3.25Å; N176-R179 PolarHBondContact OD1-NH1 2.72Å; N176-R179 PolarHBondContact OD1-NH2 3.11Å; Y177-R179 VanDerWaalsContact C-N 3.27Å; Y177-R179 PolarHBondContact O-N 2.75Å
180K93.1Very high95.4Very high144 Ų14433.5 Ų33.563%0.62617%0.169SC*.Hα-helixtrans-84.3-36.6-168.5-70.1177.1-179.2176.10113.9N176 Y177N176-K180 WeakPolarHBondContact O-CB 3.18Å; N176-K180 WeakPolarHBondContact O-CG 3.43Å; N176-K180 PolarHBondContact O-N 3.03Å; Y177-K180 PolarHBondContact O-N 2.79Å
181K95.9Very high95.5Very high140 Ų14034.3 Ų34.361%0.60918%0.176SC*.THydrogen-bonded Turntrans-116.9-21.3-174-62.8-61.3-174-178.60112.9Y177 R232Y177-K181 HydrophobicContact CD2-CB 3.91Å; Y177-K181 HydrophobicContact CD2-CG 3.89Å; Y177-K181 HydrophobicContact CE2-CB 3.67Å; Y177-K181 HydrophobicContact CE2-CG 3.79Å; Y177-K181 WeakPolarHBondContact O-CA 3.25Å; Y177-K181 PolarHBondContact O-N 2.01Å; K181-R232 VanDerWaalsContact O-CD 3.27Å; K181-R232 WeakPolarHBondContact O-CD 3.42Å
182G96.8Very high95.6Very high0 Ų041 Ų410%020%0.204CC..  trans74.2160.6-171.700000112.3Y177 W178 R232 T233 H234Y177-G182 PolarHBondContact O-N 3.4Å; W178-G182 VanDerWaalsContact O-CA 3.25Å; W178-G182 WeakPolarHBondContact O-CA 3.46Å; W178-G182 PolarHBondContact O-N 3.31Å; G182-R232 PolarHBondContact O-NH1 2.04Å; G182-T233 CarbonylContact C-O 3.53Å; G182-T233 WeakPolarHBondContact CA-O 3.47Å; G182-H234 VanDerWaalsContact CA-CD2 3.5Å; G182-H234 WeakPolarHBondContact CA-CD2 3.31Å; G182-H234 WeakPolarHBondContact CA-NE2 3.43Å; G182-H234 PolarHBondContact N-CD2 3.46Å; G182-H234 PolarHBondContact N-NE2 2.77Å
183V98.5Very high95.6Very high0 Ų047.7 Ų47.70%024%0.236CC..BIsolated β-bridgetrans-124.4128179.7177.10000108M134 L150 I155 Y177 W178 T233M134-V183 HydrophobicContact SD-CG2 4.33Å; L150-V183 HydrophobicContact CB-CG1 3.93Å; L150-V183 HydrophobicContact CD1-CB 4.12Å; L150-V183 HydrophobicContact CD1-CG1 4.23Å; I155-V183 HydrophobicContact CD1-CG1 3.94Å; I155-V183 HydrophobicContact CD1-CG2 3.96Å; I155-V183 HydrophobicContact CG1-CG1 3.99Å; I155-V183 HydrophobicContact CG1-CG2 3.69Å; Y177-V183 HydrophobicContact CD1-CG2 3.84Å; Y177-V183 HydrophobicContact CE1-CG2 3.95Å; W178-V183 HydrophobicContact CB-CG2 3.89Å; W178-V183 HydrophobicContact CG-CG2 4.14Å; V183-T233 PolarHBondContact N-O 2.75Å; V183-T233 PolarHBondContact O-N 2.87Å; V183-T233 PolarHBondContact O-OG1 3.44Å
184P98.5Very high95.8Very high0 Ų045.1 Ų45.10%022%0.224CC..  trans-75.7169.6178.235.3-36.8000111.3S151 D154 C195 K196 L228 D231 R232S151-P184 VanDerWaalsContact CB-O 3.27Å; S151-P184 WeakPolarHBondContact CB-O 3.21Å; S151-P184 PolarHBondContact N-O 2.97Å; D154-P184 HydrophobicContact CB-CG 3.7Å; D154-P184 VanDerWaalsContact OD2-CD 3.28Å; D154-P184 WeakPolarHBondContact OD2-CD 3.41Å; P184-C195 HydrophobicContact CB-CB 4.11Å; P184-K196 HydrophobicContact CG-CD 4.11Å; P184-L228 HydrophobicContact CB-CD1 3.68Å; P184-L228 HydrophobicContact CG-CD1 3.73Å; P184-D231 HydrophobicContact CB-CB 4.4Å; P184-D231 VanDerWaalsContact CB-OD2 3.31Å; P184-D231 WeakPolarHBondContact CB-OD2 3.46Å; P184-R232 HydrophobicContact CB-CG 4.22Å
185T98.5Very high95.9Very high12 Ų1245.1 Ų45.17%0.07422%0.224CC..BIsolated β-bridgetrans-65.1152.6168.164.70000111.3V148 L149 G194 C195 K196 Y224 D231V148-T185 HydrophobicContact CB-CG2 4.1Å; V148-T185 HydrophobicContact CG1-CG2 4Å; L149-T185 CarbonylContact O-C 3.54Å; L149-T185 WeakPolarHBondContact O-CA 3.4Å; T185-G194 WeakPolarHBondContact OG1-CA 3.48Å; T185-C195 WeakPolarHBondContact O-CB 3.25Å; T185-C195 PolarHBondContact O-N 3.46Å; T185-C195 PolarHBondContact OG1-N 3.49Å; T185-K196 PolarHBondContact O-N 2.9Å; T185-Y224 PolarHBondContact OG1-OH 3.05Å; T185-D231 WeakPolarHBondContact CB-OD2 3.08Å; T185-D231 WeakPolarHBondContact CG2-OD1 3.29Å; T185-D231 PolarHBondContact N-OD2 2.81Å; T185-D231 VanDerWaalsContact OG1-CG 3.31Å; T185-D231 PolarHBondContact OG1-OD1 2.82Å; T185-D231 PolarHBondContact OG1-OD2 2.96Å
186G98.1Very high96.1Very high5 Ų545.6 Ų45.65%0.05223%0.226CC..  trans-141.1-136.7177.500000111.1L149 G194 K196L149-G186 PolarHBondContact O-N 2.85Å; G186-G194 VanDerWaalsContact O-CA 3.29Å; G186-G194 WeakPolarHBondContact O-CA 3.47Å; G186-K196 WeakPolarHBondContact CA-O 3.47Å
187G97.3Very high96.5Very high1 Ų145.5 Ų45.51%0.0123%0.226CC..  trans160.7162.1-174.200000111.1P197 Y198G187-P197 CarbonylContact O-C 3.57Å; G187-P197 VanDerWaalsContact O-CA 3.29Å; G187-P197 WeakPolarHBondContact O-CA 3.35Å; G187-Y198 PolarHBondContact O-N 3.3Å
188P97Very high96.6Very high55 Ų5544.7 Ų44.736%0.35722%0.223SC..SBendtrans-59.8163.7170.828.5-35.2000110.4F115 G190 S191F115-P188 HydrophobicContact CZ-CB 4.03Å; F115-P188 HydrophobicContact CZ-CG 4.02Å; P188-G190 PolarHBondContact O-N 3.12Å; P188-S191 WeakPolarHBondContact O-CB 3.2Å; P188-S191 PolarHBondContact O-N 3.3Å
189Y96.5Very high96.7Very high127 Ų12747.6 Ų47.650%0.49824%0.243SC..THydrogen-bonded Turntrans-47134.4175178.4-95.8000112.5S191 Y198 S199 A201 P202Y189-S191 PolarHBondContact O-N 2.84Å; Y189-Y198 VanDerWaalsContact CA-O 3.31Å; Y189-Y198 WeakPolarHBondContact CA-O 3.13Å; Y189-S199 WeakPolarHBondContact CE2-O 3.44Å; Y189-A201 HydrophobicContact CD1-CB 4.36Å; Y189-A201 HydrophobicContact CD2-CB 4.21Å; Y189-A201 HydrophobicContact CE1-CB 4.02Å; Y189-A201 HydrophobicContact CE2-CB 3.86Å; Y189-A201 HydrophobicContact CG-CB 4.44Å; Y189-P202 VanDerWaalsContact CB-CD 3.44Å
190G95.9Very high96.9Very high60 Ų6046.1 Ų46.162%0.61924%0.239SC*.THydrogen-bonded Turntrans77.4-5.3-177.800000115.5P188P188-G190 PolarHBondContact O-N 3.12Å
191S96.7Very high96.9Very high28 Ų2841.4 Ų41.420%0.19623%0.227CC..  trans-61.7148.5175.3-178.80000111.9P188 Y189 Q193 P197P188-S191 WeakPolarHBondContact O-CB 3.2Å; P188-S191 PolarHBondContact O-N 3.3Å; Y189-S191 PolarHBondContact O-N 2.84Å; S191-Q193 PolarHBondContact OG-N 3.47Å; S191-P197 WeakPolarHBondContact O-CG 3.27Å
192K96.2Very high96.7Very high139 Ų13937.9 Ų37.960%0.60422%0.218SC*.  trans-117.23.9174.8-61.9175.8-177.7173.60113Q223K192-Q223 HydrophobicContact CB-CB 4.31Å; K192-Q223 HydrophobicContact CD-CG 4.24Å; K192-Q223 HydrophobicContact CG-CB 4.49Å; K192-Q223 HydrophobicContact CG-CG 4.34Å
193Q90.8Very high95.8Very high149 Ų14938.5 Ų38.570%0.69622%0.222SC*.SBendtrans-91.9-9-170.6-66.3-174.128.700114.6S191 Y224S191-Q193 PolarHBondContact OG-N 3.47Å; Q193-Y224 WeakPolarHBondContact O-CE2 3.45Å
194G97.1Very high94.4Very high0 Ų041 Ų410%025%0.248CC..SBendtrans-132.6169178.300000113.1T185 G186T185-G194 WeakPolarHBondContact OG1-CA 3.48Å; G186-G194 VanDerWaalsContact O-CA 3.29Å; G186-G194 WeakPolarHBondContact O-CA 3.47Å
195C98.4Very high92.8Very high0 Ų046.4 Ų46.40%028%0.277CS..SBendtrans-64-46.5-174.5174.40000112.9P184 T185 C220 I221 Y224 L228 D231P184-C195 HydrophobicContact CB-CB 4.11Å; T185-C195 WeakPolarHBondContact O-CB 3.25Å; T185-C195 PolarHBondContact O-N 3.46Å; T185-C195 PolarHBondContact OG1-N 3.49Å; C195-C220 HydrophobicContact CB-CB 3.8Å; C195-C220 WeakPolarHBondContact CB-SG 3.47Å; C195-C220 CarbonylContact O-C 3.49Å; C195-C220 WeakPolarHBondContact O-CA 3.48Å; C195-C220 WeakPolarHBondContact O-CB 3.27Å; C195-C220 WeakPolarHBondContact SG-CA 3.32Å; C195-C220 WeakPolarHBondContact SG-CB 3.07Å; C195-C220 CovalentContact SG-SG 2.03Å; C195-C220 PolarHBondContact SG-SG 3.19Å; C195-I221 PolarHBondContact O-N 2.82Å; C195-Y224 VanDerWaalsContact CA-CD1 3.44Å; C195-Y224 HydrophobicContact CB-CD1 3.65Å; C195-Y224 HydrophobicContact CB-CE1 3.73Å; C195-Y224 HydrophobicContact CB-CG 4.45Å; C195-L228 WeakPolarHBondContact SG-CD1 3.28Å; C195-D231 HydrophobicContact CB-CB 4.45Å; C195-D231 WeakPolarHBondContact CB-OD2 3.39Å
196K98.4Very high91Very high10 Ų1049 Ų494%0.04330%0.299CS..SBendtrans-132.479.4-176.8-72.2-178.1172-165.90111.7S151 E153 D154 C158 P184 T185 G186 K217 L228S151-K196 WeakPolarHBondContact CB-O 2.97Å; S151-K196 WeakPolarHBondContact OG-CB 3.35Å; S151-K196 PolarHBondContact OG-O 3.44Å; E153-K196 HydrophobicContact CB-CB 4.47Å; D154-K196 HydrophobicContact CB-CD 3.83Å; D154-K196 WeakPolarHBondContact OD1-CD 3.28Å; D154-K196 WeakPolarHBondContact OD1-CE 3.37Å; D154-K196 IonicContact OD1-NZ 3.01Å; D154-K196 PolarHBondContact OD1-NZ 2.89Å; C158-K196 PolarHBondContact SG-NZ 2.88Å; P184-K196 HydrophobicContact CG-CD 4.11Å; T185-K196 PolarHBondContact O-N 2.9Å; G186-K196 WeakPolarHBondContact CA-O 3.47Å; K196-K217 WeakPolarHBondContact CE-O 3.46Å; K196-K217 PolarHBondContact NZ-O 3.09Å; K196-L228 HydrophobicContact CD-CD1 4.45Å
197P98.4Very high89.6Confident15 Ų1549.5 Ų49.510%0.09730%0.302CS..  trans-60.4155.5170.6-1831.1000111.8G187 S191 S199 I221G187-P197 CarbonylContact O-C 3.57Å; G187-P197 VanDerWaalsContact O-CA 3.29Å; G187-P197 WeakPolarHBondContact O-CA 3.35Å; S191-P197 WeakPolarHBondContact O-CG 3.27Å; P197-S199 PolarHBondContact O-N 3.42Å; P197-I221 HydrophobicContact CG-CD1 3.83Å; P197-I221 HydrophobicContact CG-CG2 4.42Å
198Y98.1Very high88.3Confident7 Ų754.9 Ų54.93%0.02734%0.34CS..  trans-58.5129.1174.1-160.4-126.7000110.4D118 Q119 A120 S124 E152 L156 G187 Y189 I200D118-Y198 WeakPolarHBondContact O-CE1 3.48Å; Q119-Y198 PolarHBondContact O-OH 2.62Å; A120-Y198 HydrophobicContact CB-CE1 4.12Å; S124-Y198 PolarHBondContact OG-OH 2.66Å; E152-Y198 HydrophobicContact CG-CD2 3.51Å; E152-Y198 HydrophobicContact CG-CE2 4.03Å; E152-Y198 HydrophobicContact CG-CG 4.15Å; L156-Y198 HydrophobicContact CD2-CE2 3.96Å; G187-Y198 PolarHBondContact O-N 3.3Å; Y189-Y198 VanDerWaalsContact CA-O 3.31Å; Y189-Y198 WeakPolarHBondContact CA-O 3.13Å; Y198-I200 HydrophobicContact CD1-CB 4.22Å; Y198-I200 VanDerWaalsContact CD1-O 3.31Å; Y198-I200 WeakPolarHBondContact CD1-O 3.48Å; Y198-I200 HydrophobicContact CE1-CB 3.7Å; Y198-I200 HydrophobicContact CE1-CG1 4.35Å; Y198-I200 HydrophobicContact CE2-CD1 4.42Å
199S97.4Very high87.8Confident61 Ų6153.7 Ų53.743%0.42734%0.337SS..  trans-93.1-14.4-173.865.80000113.8E153 Y189 P197 P214E153-S199 WeakPolarHBondContact OE1-CB 3.21Å; E153-S199 PolarHBondContact OE1-OG 2.9Å; E153-S199 PolarHBondContact OE2-N 2.98Å; E153-S199 PolarHBondContact OE2-OG 3.48Å; E153-S199 VanDerWaalsContact OE2-OG 3.04Å; Y189-S199 WeakPolarHBondContact CE2-O 3.44Å; P197-S199 PolarHBondContact O-N 3.42Å; S199-P214 WeakPolarHBondContact OG-CB 3.2Å; S199-P214 WeakPolarHBondContact OG-CG 3.5Å
200I96.4Very high87.5Confident16 Ų1650.5 Ų50.58%0.08233%0.331CS..SBendtrans-89.1124.1-178.5-48.1178.1000109A120 C122 L156 Y198 A211 P214A120-I200 HydrophobicContact CB-CB 4.19Å; A120-I200 HydrophobicContact CB-CG2 3.61Å; C122-I200 HydrophobicContact CB-CD1 3.48Å; C122-I200 VanDerWaalsContact CB-CD1 3.48Å; L156-I200 HydrophobicContact CD2-CD1 4.36Å; Y198-I200 HydrophobicContact CD1-CB 4.22Å; Y198-I200 VanDerWaalsContact CD1-O 3.31Å; Y198-I200 WeakPolarHBondContact CD1-O 3.48Å; Y198-I200 HydrophobicContact CE1-CB 3.7Å; Y198-I200 HydrophobicContact CE1-CG1 4.35Å; Y198-I200 HydrophobicContact CE2-CD1 4.42Å; I200-A211 HydrophobicContact CD1-CB 3.92Å; I200-A211 HydrophobicContact CG2-CB 3.69Å; I200-P214 HydrophobicContact CD1-CG 4.12Å; I200-P214 HydrophobicContact CG1-CG 4.02Å
201A93.5Very high87.4Confident45 Ų4548.3 Ų48.337%0.37231%0.307SS..PPolyproline II helixtrans-67.8135.1-176.400000111.3A120 Y189A120-A201 WeakPolarHBondContact CB-O 3.33Å; Y189-A201 HydrophobicContact CD1-CB 4.36Å; Y189-A201 HydrophobicContact CD2-CB 4.21Å; Y189-A201 HydrophobicContact CE1-CB 4.02Å; Y189-A201 HydrophobicContact CE2-CB 3.86Å; Y189-A201 HydrophobicContact CG-CB 4.44Å
202P91.6Very high87.4Confident66 Ų6653.6 Ų53.643%0.42933%0.329SS..PPolyproline II helixtrans-49.7140.4169.2-31.537.6000111.3D118 Y189D118-P202 WeakPolarHBondContact OD2-CB 3.46Å; Y189-P202 VanDerWaalsContact CB-CD 3.44Å
203C79.2Confident87.5Confident12 Ų1249.2 Ų49.28%0.08131%0.314CS..PPolyproline II helixtrans-83.7125.7169.5-59.40000109.2C207 N327C203-C207 HydrophobicContact CB-CB 3.92Å; C203-C207 WeakPolarHBondContact CB-SG 3.04Å; C203-C207 WeakPolarHBondContact SG-CB 2.97Å; C203-C207 CovalentContact SG-SG 2Å; C203-C207 PolarHBondContact SG-SG 3.44Å; C203-N327 PolarHBondContact O-ND2 2.97Å
204G68.1Low87.9Confident53 Ų5343.1 Ų43.155%0.54629%0.287SS..  trans-70.5-137.7163.100000110.9A206G204-A206 PolarHBondContact O-N 2.92Å
205D64.4Low87.9Confident114 Ų11447.1 Ų47.161%0.6132%0.315SS*.SBendtrans-66.6-11-176.6-62.4-26.8000115.2
206A62.2Low87.9Confident65 Ų6550.5 Ų50.554%0.53734%0.338SS..  trans-153.2129.4175.300000111.1G204G204-A206 PolarHBondContact O-N 2.92Å
207C68.7Low87.9Confident17 Ų1755.7 Ų55.712%0.11536%0.361CS..  trans-102.6129154.8-14.30000108.7K56 N121 C203K56-C207 PolarHBondContact NZ-SG 2.67Å; N121-C207 HydrophobicContact CB-CB 3.99Å; C203-C207 HydrophobicContact CB-CB 3.92Å; C203-C207 WeakPolarHBondContact CB-SG 3.04Å; C203-C207 WeakPolarHBondContact SG-CB 2.97Å; C203-C207 CovalentContact SG-SG 2Å; C203-C207 PolarHBondContact SG-SG 3.44Å
208S69.9Low87.8Confident114 Ų11459.3 Ų59.380%0.79739%0.391SS*.  trans-85.5129.1157.241.10000109.6
209G85Confident87.7Confident30 Ų3067 Ų6731%0.30943%0.425SS..SBendtrans74.4-173.6170.600000115.3E60 N121E60-G209 VanDerWaalsContact OE1-CA 3.29Å; E60-G209 WeakPolarHBondContact OE1-CA 3.19Å; E60-G209 PolarHBondContact OE1-N 3.13Å; N121-G209 PolarHBondContact ND2-O 3.47Å; N121-G209 VanDerWaalsContact ND2-O 3.09Å
210T91.6Very high87.8Confident60 Ų6065.3 Ų65.337%0.36841%0.413SS..  trans-113.7139.9-173.857.60000110.1E60 R63E60-T210 HydrophobicContact CG-CG2 4.12Å; R63-T210 HydrophobicContact CB-CG2 3.74Å; R63-T210 HydrophobicContact CG-CG2 3.47Å; R63-T210 VanDerWaalsContact CG-CG2 3.47Å
211A94.3Very high87.8Confident13 Ų1366.6 Ų66.611%0.10742%0.419CS..PPolyproline II helixtrans-76.4149.4173.800000112R63 N121 C122 I200R63-A211 PolarHBondContact NH2-O 2.95Å; N121-A211 PolarHBondContact ND2-N 3.35Å; N121-A211 PolarHBondContact O-N 3.26Å; N121-A211 VanDerWaalsContact OD1-CB 3.28Å; N121-A211 WeakPolarHBondContact OD1-CB 3.06Å; C122-A211 HydrophobicContact CB-CB 4.11Å; I200-A211 HydrophobicContact CD1-CB 3.92Å; I200-A211 HydrophobicContact CG2-CB 3.69Å
212E96.3Very high88Confident139 Ų13969.6 Ų69.665%0.6544%0.435SS*.PPolyproline II helixtrans-85.1151.7169.2-67.8-57.2146.500110.9P214E212-P214 WeakPolarHBondContact O-CD 3.24Å
213T98.3Very high88.3Confident48 Ų4871.3 Ų71.329%0.29444%0.437SS..PPolyproline II helixtrans-63.5122.4174.6-56.80000110S164 G165 C166S164-T213 PolarHBondContact O-OG1 3.33Å; G165-T213 WeakPolarHBondContact CA-OG1 3.07Å; C166-T213 PolarHBondContact N-OG1 2.98Å
214P98Very high89.2Confident20 Ų2072.8 Ų72.813%0.1344%0.442CS..PPolyproline II helixtrans-61.7146.7174.9-22.133.5000111.6E153 L156 S157 S199 I200 E212E153-P214 WeakPolarHBondContact OE1-CB 3.47Å; E153-P214 WeakPolarHBondContact OE1-CG 3.5Å; L156-P214 HydrophobicContact CD2-CG 4.43Å; S157-P214 WeakPolarHBondContact CB-O 3.01Å; S199-P214 WeakPolarHBondContact OG-CB 3.2Å; S199-P214 WeakPolarHBondContact OG-CG 3.5Å; I200-P214 HydrophobicContact CD1-CG 4.12Å; I200-P214 HydrophobicContact CG1-CG 4.02Å; E212-P214 WeakPolarHBondContact O-CD 3.24Å
215S98Very high90.5Very high85 Ų8578.4 Ų78.459%0.59445%0.451SS*.PPolyproline II helixtrans-70.6138.5175.2-36.50000111.6K217S215-K217 WeakPolarHBondContact O-CE 3.36Å; S215-K217 PolarHBondContact O-N 3.42Å; S215-K217 VanDerWaalsContact O-N 3.13Å
216C98.3Very high92Very high71 Ų7176.7 Ų76.748%0.4844%0.441SS..PPolyproline II helixtrans-54.6118.7173.4-178.80000112.1S157 C158S157-C216 VanDerWaalsContact O-CB 3.31Å; S157-C216 WeakPolarHBondContact O-CB 3.46Å; C158-C216 VanDerWaalsContact CA-SG 3.58Å; C158-C216 HydrophobicContact CB-CB 3.91Å; C158-C216 WeakPolarHBondContact CB-SG 3.32Å; C158-C216 WeakPolarHBondContact SG-CA 3.3Å; C158-C216 WeakPolarHBondContact SG-CB 3.21Å; C158-C216 CovalentContact SG-SG 2.04Å; C158-C216 PolarHBondContact SG-SG 3.5Å
217K97.7Very high93.7Very high119 Ų11976.8 Ų76.852%0.51744%0.436SS..PPolyproline II helixtrans-90.4132.7177.2-54.5-57.3178.9-176.80111.5K196 S215 K219K196-K217 WeakPolarHBondContact CE-O 3.46Å; K196-K217 PolarHBondContact NZ-O 3.09Å; S215-K217 WeakPolarHBondContact O-CE 3.36Å; S215-K217 PolarHBondContact O-N 3.42Å; S215-K217 VanDerWaalsContact O-N 3.13Å; K217-K219 VanDerWaalsContact C-N 3.3Å; K217-K219 PolarHBondContact O-N 2.95Å
218A96.3Very high95Very high90 Ų9077.2 Ų77.274%0.74444%0.437SS*.SBendtrans-80.7-6.5178.600000114.3L228A218-L228 WeakPolarHBondContact O-CD2 3.3Å
219K97.1Very high96.2Very high170 Ų17081 Ų8174%0.73943%0.434SS*.SBendtrans-135.2158.6-176.8-63.7-177.5-178.61780110.6K217K217-K219 VanDerWaalsContact C-N 3.3Å; K217-K219 PolarHBondContact O-N 2.95Å
220C98.4Very high96.8Very high24 Ų2484.6 Ų84.616%0.16245%0.446CS..  trans-69.6165.6168.9-54.40000111.3C195 Y224 I226C195-C220 HydrophobicContact CB-CB 3.8Å; C195-C220 WeakPolarHBondContact CB-SG 3.47Å; C195-C220 CarbonylContact O-C 3.49Å; C195-C220 WeakPolarHBondContact O-CA 3.48Å; C195-C220 WeakPolarHBondContact O-CB 3.27Å; C195-C220 WeakPolarHBondContact SG-CA 3.32Å; C195-C220 WeakPolarHBondContact SG-CB 3.07Å; C195-C220 CovalentContact SG-SG 2.03Å; C195-C220 PolarHBondContact SG-SG 3.19Å; C220-Y224 HydrophobicContact CB-CD1 4.08Å; C220-I226 PolarHBondContact SG-O 2.93Å; C220-I226 VanDerWaalsContact SG-O 3.33Å
221I98Very high97Very high43 Ų4382.4 Ų82.422%0.22143%0.432CS..  trans-57.5146.3167.759163.7000110.9C195 P197 Q223 Y224C195-I221 PolarHBondContact O-N 2.82Å; P197-I221 HydrophobicContact CG-CD1 3.83Å; P197-I221 HydrophobicContact CG-CG2 4.42Å; I221-Q223 HydrophobicContact CD1-CB 4.31Å; I221-Q223 PolarHBondContact O-N 2.89Å; I221-Q223 VanDerWaalsContact O-N 3.08Å; I221-Y224 PolarHBondContact O-N 2.94Å
222P97.2Very high97.1Very high109 Ų10984.2 Ų84.271%0.70844%0.436SS*.THydrogen-bonded Turntrans-59.1-25.3-174.8-26.534.9000115.5Y224 K225P222-Y224 VanDerWaalsContact C-N 3.29Å; P222-K225 PolarHBondContact O-NZ 2.66Å
223Q97.4Very high97.1Very high101 Ų10178.2 Ų78.247%0.47241%0.409SS..THydrogen-bonded Turntrans-72.6-25.6178.9-59.483.2-7.900111.7K192 I221K192-Q223 HydrophobicContact CB-CB 4.31Å; K192-Q223 HydrophobicContact CD-CG 4.24Å; K192-Q223 HydrophobicContact CG-CB 4.49Å; K192-Q223 HydrophobicContact CG-CG 4.34Å; I221-Q223 HydrophobicContact CD1-CB 4.31Å; I221-Q223 PolarHBondContact O-N 2.89Å; I221-Q223 VanDerWaalsContact O-N 3.08Å
224Y97.7Very high97Very high44 Ų4478.5 Ų78.517%0.17341%0.406CS..  trans-89.8124.9-179-162.7-107.2000111.3T185 Q193 C195 C220 I221 P222 I226 D231T185-Y224 PolarHBondContact OG1-OH 3.05Å; Q193-Y224 WeakPolarHBondContact O-CE2 3.45Å; C195-Y224 VanDerWaalsContact CA-CD1 3.44Å; C195-Y224 HydrophobicContact CB-CD1 3.65Å; C195-Y224 HydrophobicContact CB-CE1 3.73Å; C195-Y224 HydrophobicContact CB-CG 4.45Å; C220-Y224 HydrophobicContact CB-CD1 4.08Å; I221-Y224 PolarHBondContact O-N 2.94Å; P222-Y224 VanDerWaalsContact C-N 3.29Å; Y224-I226 HydrophobicContact CD1-CB 4.28Å; Y224-I226 HydrophobicContact CE1-CB 3.65Å; Y224-I226 HydrophobicContact CE1-CG1 4.34Å; Y224-D231 HydrophobicContact CE1-CB 4.29Å; Y224-D231 PolarHBondContact OH-OD1 2.65Å
225K95.6Very high96.6Very high171 Ų17177.5 Ų77.574%0.74340%0.4SS*.  trans-92-21.4-167.1-56.9-53.9177.9-167.80114.5P222 P227P222-K225 PolarHBondContact O-NZ 2.66Å; K225-P227 WeakPolarHBondContact O-CD 3.08Å
226I96.7Very high96Very high78 Ų7875.8 Ų75.840%0.439%0.386SS..SBendtrans-78126.1179.6-59175.6000108.4C220 Y224 L230 D231C220-I226 PolarHBondContact SG-O 2.93Å; C220-I226 VanDerWaalsContact SG-O 3.33Å; Y224-I226 HydrophobicContact CD1-CB 4.28Å; Y224-I226 HydrophobicContact CE1-CB 3.65Å; Y224-I226 HydrophobicContact CE1-CG1 4.34Å; I226-L230 HydrophobicContact CG2-CB 3.87Å; I226-D231 HydrophobicContact CG2-CB 4Å
227P96.6Very high94.7Very high67 Ų6778.7 Ų78.744%0.43539%0.392SS..  trans-58.8141.2175.2-24.633.7000112K225 R229 L230 D231K225-P227 WeakPolarHBondContact O-CD 3.08Å; P227-R229 HydrophobicContact CB-CG 4.48Å; P227-R229 PolarHBondContact O-N 2.87Å; P227-L230 HydrophobicContact CG-CD1 4.25Å; P227-L230 PolarHBondContact O-N 3.38Å; P227-D231 PolarHBondContact O-N 2.89Å
228L97.7Very high92.8Very high26 Ų2673.4 Ų73.414%0.13637%0.37CS..Hα-helixtrans-47.3-41.2-177.9174.961.7000113.6P184 C195 K196 A218 L230 D231 R232P184-L228 HydrophobicContact CB-CD1 3.68Å; P184-L228 HydrophobicContact CG-CD1 3.73Å; C195-L228 WeakPolarHBondContact SG-CD1 3.28Å; K196-L228 HydrophobicContact CD-CD1 4.45Å; A218-L228 WeakPolarHBondContact O-CD2 3.3Å; L228-L230 PolarHBondContact O-N 3.04Å; L228-D231 PolarHBondContact O-N 3.48Å; L228-R232 WeakPolarHBondContact O-CG 3.28Å
229R95.2Very high90.5Very high192 Ų19271 Ų7173%0.72535%0.347SS*.Hα-helixtrans-65-25.5-179.772.7-178.7179.983.30.5114.2P227P227-R229 HydrophobicContact CB-CG 4.48Å; P227-R229 PolarHBondContact O-N 2.87Å
230L95.7Very high87.9Confident107 Ų10764.3 Ų64.356%0.5632%0.319SS*.Hα-helixtrans-94.5-14.1-178.6-65.2-177.8000112.4I226 P227 L228I226-L230 HydrophobicContact CG2-CB 3.87Å; P227-L230 HydrophobicContact CG-CD1 4.25Å; P227-L230 PolarHBondContact O-N 3.38Å; L228-L230 PolarHBondContact O-N 3.04Å
231D97Very high85Confident14 Ų1474.2 Ų74.28%0.07535%0.353CS..Hα-helixtrans-92.9-7.5-176.9-171.756.1000113.5P184 T185 C195 Y224 I226 P227 L228 T233P184-D231 HydrophobicContact CB-CB 4.4Å; P184-D231 VanDerWaalsContact CB-OD2 3.31Å; P184-D231 WeakPolarHBondContact CB-OD2 3.46Å; T185-D231 WeakPolarHBondContact CB-OD2 3.08Å; T185-D231 WeakPolarHBondContact CG2-OD1 3.29Å; T185-D231 PolarHBondContact N-OD2 2.81Å; T185-D231 VanDerWaalsContact OG1-CG 3.31Å; T185-D231 PolarHBondContact OG1-OD1 2.82Å; T185-D231 PolarHBondContact OG1-OD2 2.96Å; C195-D231 HydrophobicContact CB-CB 4.45Å; C195-D231 WeakPolarHBondContact CB-OD2 3.39Å; Y224-D231 HydrophobicContact CE1-CB 4.29Å; Y224-D231 PolarHBondContact OH-OD1 2.65Å; I226-D231 HydrophobicContact CG2-CB 4Å; P227-D231 PolarHBondContact O-N 2.89Å; L228-D231 PolarHBondContact O-N 3.48Å; D231-T233 PolarHBondContact O-N 2.6Å
232R96.8Very high82.4Confident51 Ų5174 Ų7419%0.19235%0.354CS..  trans-77.2119.3-175.3-72-178.5179.1-81.3-7.8112D154 Y177 K181 G182 P184 L228 H234D154-R232 IonicContact OD1-CZ 3.66Å; D154-R232 IonicContact OD1-NH1 3.21Å; D154-R232 IonicContact OD1-NH2 3.36Å; D154-R232 PolarHBondContact OD1-NH2 3.37Å; D154-R232 IonicContact OD2-CZ 2.87Å; D154-R232 IonicContact OD2-NH1 2.71Å; D154-R232 PolarHBondContact OD2-NH1 2.92Å; D154-R232 IonicContact OD2-NH2 3.58Å; D154-R232 PolarHBondContact OD2-NH2 2.95Å; Y177-R232 PolarHBondContact OH-NH1 3.38Å; K181-R232 VanDerWaalsContact O-CD 3.27Å; K181-R232 WeakPolarHBondContact O-CD 3.42Å; G182-R232 PolarHBondContact O-NH1 2.04Å; P184-R232 HydrophobicContact CB-CG 4.22Å; L228-R232 WeakPolarHBondContact O-CG 3.28Å; R232-H234 PolarHBondContact O-ND1 2.85Å
233T96.4Very high79.5Confident13 Ų1371.7 Ų71.78%0.0834%0.335CS..BIsolated β-bridgetrans-86.5154.9167.170.30000110.2I138 L150 W178 G182 V183 D231I138-T233 HydrophobicContact CD1-CG2 4.11Å; L150-T233 VanDerWaalsContact CD1-OG1 3.28Å; L150-T233 WeakPolarHBondContact CD1-OG1 3.43Å; L150-T233 HydrophobicContact CD2-CG2 3.95Å; L150-T233 WeakPolarHBondContact CD2-OG1 3.21Å; W178-T233 PolarHBondContact NE1-O 3.49Å; W178-T233 PolarHBondContact NE1-OG1 2.86Å; W178-T233 VanDerWaalsContact NE1-OG1 3.13Å; G182-T233 CarbonylContact C-O 3.53Å; G182-T233 WeakPolarHBondContact CA-O 3.47Å; V183-T233 PolarHBondContact N-O 2.75Å; V183-T233 PolarHBondContact O-N 2.87Å; V183-T233 PolarHBondContact O-OG1 3.44Å; D231-T233 PolarHBondContact O-N 2.6Å
234H95.5Very high76.5Confident53 Ų5372.3 Ų72.325%0.24535%0.348CS..EExtended strand (participates in β ladder)trans-126.6146.1-177.5-67.973.9000111.7W178 G182 R232 R357W178-H234 VanDerWaalsContact CE2-C 3.45Å; W178-H234 WeakPolarHBondContact O-CA 3.4Å; G182-H234 VanDerWaalsContact CA-CD2 3.5Å; G182-H234 WeakPolarHBondContact CA-CD2 3.31Å; G182-H234 WeakPolarHBondContact CA-NE2 3.43Å; G182-H234 PolarHBondContact N-CD2 3.46Å; G182-H234 PolarHBondContact N-NE2 2.77Å; R232-H234 PolarHBondContact O-ND1 2.85Å; H234-R357 HydrophobicContact CB-CB 4.47Å; H234-R357 WeakPolarHBondContact O-CB 3.37Å; H234-R357 PolarHBondContact O-N 3.07Å
235G90.1Very high73.4Confident0 Ų079.1 Ų79.10%038%0.381CS..EExtended strand (participates in β ladder)trans-80.5160.3164.400000111.1W178 K355W178-G235 VanDerWaalsContact CE2-N 3.25Å; W178-G235 VanDerWaalsContact CE3-CA 3.46Å; W178-G235 PolarHBondContact O-N 3.38Å; G235-K355 WeakPolarHBondContact CA-O 3.47Å
236V84.6Confident70.4Confident48 Ų4876.2 Ų76.229%0.29137%0.37SS..EExtended strand (participates in β ladder)trans-87.8-178161.4-62.20000110.3L238 S354 K355 R357V236-L238 PolarHBondContact O-N 3.35Å; V236-S354 PolarHBondContact O-OG 2.88Å; V236-K355 HydrophobicContact CG2-CB 3.55Å; V236-K355 WeakPolarHBondContact CG2-O 3.32Å; V236-K355 PolarHBondContact N-O 3.21Å; V236-R357 HydrophobicContact CG1-CB 3.88Å
237Q70.8Confident67.3Low133 Ų13379.1 Ų79.162%0.62138%0.382SS*.EExtended strand (participates in β ladder)trans-49.2136172.7-170.366.413.300109.7C239 S354Q237-C239 PolarHBondContact O-N 3.45Å; Q237-S354 PolarHBondContact O-OG 3.41Å
238L59.1Low64.6Low8 Ų878.3 Ų78.34%0.04237%0.374CS..EExtended strand (participates in β ladder)trans-49.6140.8172.9-77.1163.3000108.6I172 F175 N176 V236 N240 L250 V352 A353I172-L238 HydrophobicContact CG2-CD1 4.14Å; F175-L238 HydrophobicContact CB-CD2 3.76Å; F175-L238 HydrophobicContact CG-CD2 4.27Å; N176-L238 WeakPolarHBondContact OD1-CD1 3.31Å; V236-L238 PolarHBondContact O-N 3.35Å; L238-N240 PolarHBondContact O-N 3.14Å; L238-L250 HydrophobicContact CD1-CD2 3.74Å; L238-V352 HydrophobicContact CD2-CG2 3.98Å; L238-A353 WeakPolarHBondContact CD2-O 3.22Å
239C47.8Very low61.8Low38 Ų3879.1 Ų79.126%0.25738%0.375SS..SBendtrans-70.666.8-176.3-67.90000111.1Q237Q237-C239 PolarHBondContact O-N 3.45Å
240N42Very low59.1Low30 Ų3072.4 Ų72.416%0.1635%0.354CS..  trans-113.886.9171.4-79.317.5000109.7L238 E247 Y249 L250L238-N240 PolarHBondContact O-N 3.14Å; N240-E247 PolarHBondContact ND2-O 3.2Å; N240-Y249 VanDerWaalsContact ND2-C 3.34Å; N240-Y249 PolarHBondContact ND2-N 2.99Å; N240-Y249 VanDerWaalsContact OD1-C 3.27Å; N240-Y249 VanDerWaalsContact OD1-CA 3.29Å; N240-Y249 WeakPolarHBondContact OD1-CA 3.27Å; N240-Y249 WeakPolarHBondContact OD1-CB 3.39Å; N240-Y249 PolarHBondContact OD1-N 2.78Å; N240-Y249 PolarHBondContact OD1-O 3.38Å; N240-L250 VanDerWaalsContact ND2-CG 3.34Å; N240-L250 WeakPolarHBondContact ND2-CG 3.06Å; N240-L250 PolarHBondContact ND2-N 2.81Å
241R37.2Very low56.5Low232 Ų23267.4 Ų67.488%0.87533%0.328SS*.  trans-144.266.4142.3-103.3-171.4166.4145.4-2.3106
242V43.1Very low53.8Low40 Ų4069.2 Ų69.224%0.24234%0.342CS..SBendtrans-91.9-25.8172.6-175.30000110.3Y249V242-Y249 HydrophobicContact CG2-CD2 4.15Å; V242-Y249 HydrophobicContact CG2-CE2 4.48Å
243L35.9Very low51.1Low59 Ų5974.9 Ų74.931%0.30937%0.367SS..SBendtrans-134.8137.4162.7-66.7169.3000108.8V90 E245 Q246V90-L243 HydrophobicContact CG2-CD2 3.77Å; L243-E245 PolarHBondContact O-N 3.48Å; L243-E245 VanDerWaalsContact O-N 3.13Å; L243-Q246 HydrophobicContact CB-CB 3.89Å; L243-Q246 HydrophobicContact CD1-CB 3.74Å; L243-Q246 HydrophobicContact CD1-CG 4.36Å; L243-Q246 VanDerWaalsContact CD1-OE1 3.31Å; L243-Q246 HydrophobicContact CG-CB 4.43Å; L243-Q246 PolarHBondContact O-N 2.84Å
244P35.9Very low48.9Very low114 Ų11475.7 Ų75.774%0.7437%0.372SS*.SBendtrans-57.3-21176-2534.3000114.3
245E32.2Very low47.1Very low188 Ų18881.7 Ų81.788%0.87940%0.398SS*.SBendtrans-126.95.1-178-70.3175.5-176.900114.2L243L243-E245 PolarHBondContact O-N 3.48Å; L243-E245 VanDerWaalsContact O-N 3.13Å
246Q31.4Very low45.5Very low109 Ų10984.6 Ų84.651%0.50941%0.41SS..  trans-134.3103.8173.2-69.2-176.5-10.100109.8L243 I248L243-Q246 HydrophobicContact CB-CB 3.89Å; L243-Q246 HydrophobicContact CD1-CB 3.74Å; L243-Q246 HydrophobicContact CD1-CG 4.36Å; L243-Q246 VanDerWaalsContact CD1-OE1 3.31Å; L243-Q246 HydrophobicContact CG-CB 4.43Å; L243-Q246 PolarHBondContact O-N 2.84Å; Q246-I248 HydrophobicContact CB-CD1 3.73Å; Q246-I248 HydrophobicContact CB-CG1 3.92Å; Q246-I248 HydrophobicContact CG-CD1 4.33Å; Q246-I248 PolarHBondContact O-N 3.25Å
247E32.2Very low44.8Very low139 Ų13986.7 Ų86.765%0.6542%0.42SS*.  trans-6965.6174.8-67.9-169.1151.400111.6N240 Y249 L250N240-E247 PolarHBondContact ND2-O 3.2Å; E247-Y249 PolarHBondContact O-N 2.93Å; E247-L250 HydrophobicContact CB-CD1 4.13Å; E247-L250 WeakPolarHBondContact OE2-CD1 3.35Å
248I40.7Very low45.2Very low51 Ų5181.6 Ų81.626%0.26240%0.402SS..THydrogen-bonded Turntrans-106.270.3-172.6-56.5177.1000111.1Q246 V254Q246-I248 HydrophobicContact CB-CD1 3.73Å; Q246-I248 HydrophobicContact CB-CG1 3.92Å; Q246-I248 HydrophobicContact CG-CD1 4.33Å; Q246-I248 PolarHBondContact O-N 3.25Å; I248-V254 HydrophobicContact CG2-CB 4.09Å; I248-V254 HydrophobicContact CG2-CG1 3.32Å; I248-V254 HydrophobicContact CG2-CG2 3.54Å
249Y38Very low46.3Very low43 Ų4385.4 Ų85.417%0.16943%0.43CS..THydrogen-bonded Turntrans-154.244.1140.1-88.8-82.5000107.5N240 V242 E247 I265 I351N240-Y249 VanDerWaalsContact ND2-C 3.34Å; N240-Y249 PolarHBondContact ND2-N 2.99Å; N240-Y249 VanDerWaalsContact OD1-C 3.27Å; N240-Y249 VanDerWaalsContact OD1-CA 3.29Å; N240-Y249 WeakPolarHBondContact OD1-CA 3.27Å; N240-Y249 WeakPolarHBondContact OD1-CB 3.39Å; N240-Y249 PolarHBondContact OD1-N 2.78Å; N240-Y249 PolarHBondContact OD1-O 3.38Å; V242-Y249 HydrophobicContact CG2-CD2 4.15Å; V242-Y249 HydrophobicContact CG2-CE2 4.48Å; E247-Y249 PolarHBondContact O-N 2.93Å; Y249-I265 HydrophobicContact CE1-CG1 4.49Å; Y249-I265 VanDerWaalsContact OH-CG1 3.25Å; Y249-I265 WeakPolarHBondContact OH-CG1 3.49Å; Y249-I265 PolarHBondContact OH-N 3.37Å; Y249-I351 HydrophobicContact CD1-CB 4.04Å; Y249-I351 HydrophobicContact CD1-CG2 4.1Å; Y249-I351 WeakPolarHBondContact CD1-O 3.15Å; Y249-I351 HydrophobicContact CE1-CB 3.65Å; Y249-I351 HydrophobicContact CE1-CG2 3.58Å
250L39.5Very low48Very low51 Ų5188.3 Ų88.327%0.26744%0.44SS..SBendtrans-102.4118.7155.2-75.9158000103.2I172 L238 N240 E247 S252I172-L250 HydrophobicContact CG2-CD2 3.91Å; L238-L250 HydrophobicContact CD1-CD2 3.74Å; N240-L250 VanDerWaalsContact ND2-CG 3.34Å; N240-L250 WeakPolarHBondContact ND2-CG 3.06Å; N240-L250 PolarHBondContact ND2-N 2.81Å; E247-L250 HydrophobicContact CB-CD1 4.13Å; E247-L250 WeakPolarHBondContact OE2-CD1 3.35Å; L250-S252 PolarHBondContact O-N 3.48Å
251G39.9Very low50.1Low2 Ų287.3 Ų87.32%0.02144%0.436CS..  trans-6759.6179.600000113.9S70 I172 Y350S70-G251 PolarHBondContact OG-O 3.17Å; I172-G251 WeakPolarHBondContact CD1-O 3.41Å; G251-Y350 WeakPolarHBondContact O-CD2 3.48Å; G251-Y350 WeakPolarHBondContact O-CE2 3.47Å
252S41.4Very low52.6Low52 Ų5276.5 Ų76.536%0.36440%0.396SS..SBendtrans-60.7159.3132.5-65.20000109.5D71 L250 V254D71-S252 WeakPolarHBondContact OD2-CA 3.36Å; D71-S252 WeakPolarHBondContact OD2-CB 3.32Å; D71-S252 PolarHBondContact OD2-OG 3.38Å; L250-S252 PolarHBondContact O-N 3.48Å; S252-V254 WeakPolarHBondContact O-CG2 3.35Å; S252-V254 PolarHBondContact O-N 2.81Å
253K40Very low54.8Low169 Ų16979.9 Ų79.974%0.73541%0.409SS*.  trans-65.284.6176.7-163.4-178.7-174-178.40108.6D71 K255D71-K253 PolarHBondContact OD2-N 3.49Å; K253-K255 PolarHBondContact O-N 3.1Å
254V49.4Very low57.3Low30 Ų3078.6 Ų78.618%0.18240%0.4CS..  trans-71.3127.1177-1760000106.5I248 S252 F256 L257 D349I248-V254 HydrophobicContact CG2-CB 4.09Å; I248-V254 HydrophobicContact CG2-CG1 3.32Å; I248-V254 HydrophobicContact CG2-CG2 3.54Å; S252-V254 WeakPolarHBondContact O-CG2 3.35Å; S252-V254 PolarHBondContact O-N 2.81Å; V254-F256 PolarHBondContact O-N 3.04Å; V254-L257 HydrophobicContact CG1-CD1 4.44Å; V254-L257 HydrophobicContact CG1-CG 4.29Å; V254-D349 WeakPolarHBondContact O-CB 3.21Å; V254-D349 VanDerWaalsContact O-OD1 3.07Å
255K57Low60Low180 Ų18073.3 Ų73.378%0.78337%0.366SS*.  trans-61.2122.1169.5-178.5-179.2-179.4-176.90107.5K253 L257K253-K255 PolarHBondContact O-N 3.1Å; K255-L257 WeakPolarHBondContact O-CD2 3.35Å; K255-L257 WeakPolarHBondContact O-CG 3.3Å; K255-L257 PolarHBondContact O-N 3.3Å
256F57.7Low62.9Low60 Ų6065.1 Ų65.126%0.26333%0.328SS..  trans-34.4116167.9174.1-120.1000112V254 G258 G341 N343 E348 D349V254-F256 PolarHBondContact O-N 3.04Å; F256-G258 VanDerWaalsContact CE1-CA 3.43Å; F256-G258 WeakPolarHBondContact CE2-O 3.07Å; F256-G258 VanDerWaalsContact CZ-CA 3.4Å; F256-G258 PolarHBondContact O-N 3.33Å; F256-G341 WeakPolarHBondContact CZ-O 3.08Å; F256-N343 HydrophobicContact CB-CB 3.91Å; F256-N343 HydrophobicContact CD1-CB 4.11Å; F256-N343 HydrophobicContact CD2-CB 3.69Å; F256-N343 HydrophobicContact CE2-CB 4.21Å; F256-N343 HydrophobicContact CG-CB 3.64Å; F256-E348 HydrophobicContact CD2-CB 4.16Å; F256-E348 HydrophobicContact CE2-CB 4.48Å; F256-E348 WeakPolarHBondContact CE2-OE2 3.31Å; F256-D349 PolarHBondContact N-OD1 3.14Å
257L69Low65.8Low93 Ų9361.8 Ų61.849%0.48731%0.312SS..  trans-86.623.1-174.3-59.3176.8000112.5V254 K255 G261V254-L257 HydrophobicContact CG1-CD1 4.44Å; V254-L257 HydrophobicContact CG1-CG 4.29Å; K255-L257 WeakPolarHBondContact O-CD2 3.35Å; K255-L257 WeakPolarHBondContact O-CG 3.3Å; K255-L257 PolarHBondContact O-N 3.3Å; L257-G261 PolarHBondContact O-N 2.91Å
258G78.7Confident68.6Low25 Ų2556.3 Ų56.326%0.25829%0.287SS..Hα-helixtrans66.4-157.3-175.800000112.8F256 E260 G261 T262F256-G258 VanDerWaalsContact CE1-CA 3.43Å; F256-G258 WeakPolarHBondContact CE2-O 3.07Å; F256-G258 VanDerWaalsContact CZ-CA 3.4Å; F256-G258 PolarHBondContact O-N 3.33Å; G258-E260 PolarHBondContact O-N 3.42Å; G258-G261 PolarHBondContact O-N 2.85Å; G258-T262 PolarHBondContact O-N 2.86Å
259S83.3Confident71.1Confident89 Ų8953.9 Ų53.962%0.62228%0.275SS*.Hα-helixtrans-57.6-33.2179.855.50000113.2G261 T262 E263S259-G261 VanDerWaalsContact C-N 3.34Å; S259-T262 PolarHBondContact O-N 2.87Å; S259-E263 WeakPolarHBondContact O-CG 3.31Å; S259-E263 PolarHBondContact O-N 2.75Å
260E83.3Confident73.9Confident99 Ų9954.2 Ų54.246%0.46328%0.276SS..Hα-helixtrans-64.4-40177.1-167.8-171.2155.900111.6G258 E263 R264G258-E260 PolarHBondContact O-N 3.42Å; E260-E263 PolarHBondContact O-N 2.03Å; E260-R264 VanDerWaalsContact O-CG 3.24Å; E260-R264 WeakPolarHBondContact O-CG 2.94Å; E260-R264 PolarHBondContact O-N 3.49Å; E260-R264 IonicContact OE1-CZ 3.72Å; E260-R264 VanDerWaalsContact OE1-CZ 3.28Å; E260-R264 IonicContact OE1-NE 3.25Å; E260-R264 PolarHBondContact OE1-NE 3.4Å; E260-R264 VanDerWaalsContact OE1-NE 3.1Å; E260-R264 IonicContact OE1-NH2 2.6Å; E260-R264 PolarHBondContact OE1-NH2 3.29Å
261G85.2Confident76.4Confident8 Ų855.1 Ų55.18%0.08228%0.284CS..Hα-helixtrans-59.8-50.3173.100000111.9L257 G258 S259 E263 R264 I265L257-G261 PolarHBondContact O-N 2.91Å; G258-G261 PolarHBondContact O-N 2.85Å; S259-G261 VanDerWaalsContact C-N 3.34Å; G261-E263 PolarHBondContact O-N 2.69Å; G261-R264 WeakPolarHBondContact O-CB 3.5Å; G261-R264 PolarHBondContact O-N 3.36Å; G261-I265 WeakPolarHBondContact O-CG1 3.41Å; G261-I265 PolarHBondContact O-N 2.75Å; G261-I265 VanDerWaalsContact O-N 3.1Å
262T90.6Very high78.8Confident5 Ų556.6 Ų56.63%0.03129%0.291CS..Hα-helixtrans-57.4-47.7176.8-57.40000111.8G258 S259 R264 I265 M266 W320 R340 E348G258-T262 PolarHBondContact O-N 2.86Å; S259-T262 PolarHBondContact O-N 2.87Å; T262-R264 VanDerWaalsContact C-N 3.28Å; T262-R264 PolarHBondContact O-N 2.74Å; T262-I265 WeakPolarHBondContact O-CB 3.44Å; T262-I265 PolarHBondContact O-N 2.89Å; T262-M266 HydrophobicContact CG2-SD 4.21Å; T262-M266 VanDerWaalsContact O-CG 3.32Å; T262-M266 WeakPolarHBondContact O-CG 3.09Å; T262-M266 PolarHBondContact O-N 3.05Å; T262-W320 HydrophobicContact CG2-CH2 4.46Å; T262-W320 HydrophobicContact CG2-CZ2 3.91Å; T262-R340 HydrophobicContact CG2-CG 3.57Å; T262-E348 PolarHBondContact OG1-OE1 2.9Å; T262-E348 PolarHBondContact OG1-OE2 2.88Å
263E90.3Very high81.4Confident112 Ų11254.1 Ų54.152%0.52327%0.274SS..Hα-helixtrans-59.8-37.5178-77.6-179.7-16800112.3S259 E260 G261 M266 Q267S259-E263 WeakPolarHBondContact O-CG 3.31Å; S259-E263 PolarHBondContact O-N 2.75Å; E260-E263 PolarHBondContact O-N 2.03Å; G261-E263 PolarHBondContact O-N 2.69Å; E263-M266 PolarHBondContact O-N 2.76Å; E263-Q267 WeakPolarHBondContact O-CB 3.46Å; E263-Q267 PolarHBondContact O-N 2.62Å
264R87.8Confident84.2Confident32 Ų3246.1 Ų46.112%0.12124%0.239CC..Hα-helixtrans-65.3-41.6176.1-71.9168.7-178.4-74.63.1112.1E260 G261 T262 M266 Q267 D268E260-R264 VanDerWaalsContact O-CG 3.24Å; E260-R264 WeakPolarHBondContact O-CG 2.94Å; E260-R264 PolarHBondContact O-N 3.49Å; E260-R264 IonicContact OE1-CZ 3.72Å; E260-R264 VanDerWaalsContact OE1-CZ 3.28Å; E260-R264 IonicContact OE1-NE 3.25Å; E260-R264 PolarHBondContact OE1-NE 3.4Å; E260-R264 VanDerWaalsContact OE1-NE 3.1Å; E260-R264 IonicContact OE1-NH2 2.6Å; E260-R264 PolarHBondContact OE1-NH2 3.29Å; G261-R264 WeakPolarHBondContact O-CB 3.5Å; G261-R264 PolarHBondContact O-N 3.36Å; T262-R264 VanDerWaalsContact C-N 3.28Å; T262-R264 PolarHBondContact O-N 2.74Å; R264-M266 VanDerWaalsContact C-N 3.34Å; R264-Q267 PolarHBondContact O-N 2.74Å; R264-D268 PolarHBondContact O-N 2.87Å
265I91.4Very high86.4Confident3 Ų344.7 Ų44.72%0.01523%0.231CC..Hα-helixtrans-60.8-46.7174.5-61.7166.2000109.5Y249 G261 T262 Q267 D268 L269 L275 I308 W320 E348 I351Y249-I265 HydrophobicContact CE1-CG1 4.49Å; Y249-I265 VanDerWaalsContact OH-CG1 3.25Å; Y249-I265 WeakPolarHBondContact OH-CG1 3.49Å; Y249-I265 PolarHBondContact OH-N 3.37Å; G261-I265 WeakPolarHBondContact O-CG1 3.41Å; G261-I265 PolarHBondContact O-N 2.75Å; G261-I265 VanDerWaalsContact O-N 3.1Å; T262-I265 WeakPolarHBondContact O-CB 3.44Å; T262-I265 PolarHBondContact O-N 2.89Å; I265-Q267 VanDerWaalsContact C-N 3.33Å; I265-Q267 PolarHBondContact O-N 3.3Å; I265-D268 PolarHBondContact O-N 2.83Å; I265-L269 WeakPolarHBondContact O-CB 3.33Å; I265-L269 PolarHBondContact O-N 3.01Å; I265-L275 HydrophobicContact CG2-CD1 3.63Å; I265-I308 HydrophobicContact CG2-CD1 4.23Å; I265-W320 HydrophobicContact CB-CH2 3.77Å; I265-W320 HydrophobicContact CB-CZ2 4.01Å; I265-W320 HydrophobicContact CD1-CZ2 4.37Å; I265-W320 HydrophobicContact CG2-CH2 3.39Å; I265-W320 HydrophobicContact CG2-CZ2 3.7Å; I265-W320 HydrophobicContact CG2-CZ3 4.07Å; I265-E348 HydrophobicContact CD1-CB 4Å; I265-E348 HydrophobicContact CD1-CG 4.2Å; I265-I351 HydrophobicContact CD1-CD1 4.18Å; I265-I351 HydrophobicContact CD1-CG1 3.71Å; I265-I351 HydrophobicContact CG1-CG1 4.02Å; I265-I351 HydrophobicContact CG2-CD1 4.41Å
266M93.8Very high88.3Confident16 Ų1636.1 Ų36.18%0.07919%0.193CC..Hα-helixtrans-61.3-42.1178.1-61.3172.271.600111.4L97 T262 E263 R264 L269 Y270 W311 W320L97-M266 HydrophobicContact CD1-CB 3.59Å; L97-M266 HydrophobicContact CD1-CE 4.46Å; T262-M266 HydrophobicContact CG2-SD 4.21Å; T262-M266 VanDerWaalsContact O-CG 3.32Å; T262-M266 WeakPolarHBondContact O-CG 3.09Å; T262-M266 PolarHBondContact O-N 3.05Å; E263-M266 PolarHBondContact O-N 2.76Å; R264-M266 VanDerWaalsContact C-N 3.34Å; M266-L269 PolarHBondContact O-N 2.6Å; M266-Y270 VanDerWaalsContact O-CB 3.3Å; M266-Y270 WeakPolarHBondContact O-CB 3.27Å; M266-Y270 PolarHBondContact O-N 2.87Å; M266-W311 HydrophobicContact CB-CE3 4.42Å; M266-W311 HydrophobicContact CB-CH2 4.3Å; M266-W311 HydrophobicContact CB-CZ3 4.21Å; M266-W311 HydrophobicContact CE-CD2 3.81Å; M266-W311 VanDerWaalsContact CE-CE2 3.43Å; M266-W311 HydrophobicContact CE-CG 3.94Å; M266-W311 HydrophobicContact CE-CZ2 3.96Å; M266-W311 VanDerWaalsContact CE-NE1 3.33Å; M266-W311 HydrophobicContact CG-CD2 4.44Å; M266-W311 HydrophobicContact CG-CE3 4.42Å; M266-W320 HydrophobicContact CB-CH2 4.32Å; M266-W320 HydrophobicContact CG-CH2 3.35Å; M266-W320 HydrophobicContact CG-CZ2 4.35Å; M266-W320 HydrophobicContact CG-CZ3 3.75Å
267Q91.9Very high90Very high39 Ų3933.2 Ų33.218%0.18218%0.181CC..Hα-helixtrans-63.9-43.5179.7-173.466.741.800112.3V92 E263 R264 I265 Y270 T271V92-Q267 HydrophobicContact CG1-CG 4.35Å; E263-Q267 WeakPolarHBondContact O-CB 3.46Å; E263-Q267 PolarHBondContact O-N 2.62Å; R264-Q267 PolarHBondContact O-N 2.74Å; I265-Q267 VanDerWaalsContact C-N 3.33Å; I265-Q267 PolarHBondContact O-N 3.3Å; Q267-Y270 PolarHBondContact O-N 3.24Å; Q267-T271 PolarHBondContact NE2-OG1 3.37Å; Q267-T271 VanDerWaalsContact O-CB 3.26Å; Q267-T271 WeakPolarHBondContact O-CB 3.38Å; Q267-T271 PolarHBondContact O-N 3.23Å; Q267-T271 PolarHBondContact O-OG1 3.42Å
268D91.3Very high91.1Very high24 Ų2428.9 Ų28.913%0.12816%0.159CC..Hα-helixtrans-64.8-47.2176.1-170.8-5.3000110.4R137 R264 I265 Y270 T271 N272 L275R137-D268 IonicContact CZ-OD1 3.46Å; R137-D268 IonicContact NH1-OD1 3.53Å; R137-D268 IonicContact NH2-OD1 3.61Å; R137-D268 PolarHBondContact NH2-OD1 3.38Å; R137-D268 IonicContact NH2-OD2 3.05Å; R264-D268 PolarHBondContact O-N 2.87Å; I265-D268 PolarHBondContact O-N 2.83Å; D268-Y270 VanDerWaalsContact C-N 3.31Å; D268-Y270 PolarHBondContact O-N 2.62Å; D268-T271 PolarHBondContact O-N 3.47Å; D268-T271 VanDerWaalsContact O-N 3.16Å; D268-N272 PolarHBondContact O-N 3.08Å; D268-N272 WeakPolarHBondContact OD1-CB 3.21Å; D268-N272 PolarHBondContact OD1-ND2 2.84Å; D268-L275 HydrophobicContact CB-CD1 4.49Å; D268-L275 HydrophobicContact CB-CD2 4.45Å
269L94.2Very high91.9Very high0 Ų027.9 Ų27.90%015%0.147CC..Hα-helixtrans-58.1-41.9176.6179.256.9000112.8Y101 V103 I265 M266 G273 L275 I308 W311 W320Y101-L269 HydrophobicContact CD1-CG 4.34Å; Y101-L269 HydrophobicContact CE1-CG 4.06Å; V103-L269 HydrophobicContact CG2-CD1 3.7Å; V103-L269 HydrophobicContact CG2-CG 4.41Å; I265-L269 WeakPolarHBondContact O-CB 3.33Å; I265-L269 PolarHBondContact O-N 3.01Å; M266-L269 PolarHBondContact O-N 2.6Å; L269-G273 WeakPolarHBondContact CA-O 3.49Å; L269-G273 WeakPolarHBondContact CD1-O 3.48Å; L269-G273 VanDerWaalsContact O-CA 3.28Å; L269-G273 WeakPolarHBondContact O-CA 3.23Å; L269-G273 PolarHBondContact O-N 3.16Å; L269-G273 VanDerWaalsContact O-N 3.11Å; L269-L275 HydrophobicContact CB-CD1 3.93Å; L269-I308 HydrophobicContact CD2-CB 4.45Å; L269-I308 HydrophobicContact CD2-CG2 3.57Å; L269-W311 HydrophobicContact CB-CZ3 4.09Å; L269-W311 HydrophobicContact CD2-CE3 3.65Å; L269-W311 HydrophobicContact CD2-CZ3 3.71Å; L269-W311 HydrophobicContact CG-CE3 4.3Å; L269-W311 HydrophobicContact CG-CZ3 3.84Å; L269-W320 HydrophobicContact CD2-CZ3 4.21Å
270Y95.5Very high92.5Very high49 Ų4925.9 Ų25.919%0.19213%0.131CC..Hα-helixtrans-65.3-41.5176.6-170.5-107.2000112.8K95 L97 P98 Y101 M266 Q267 D268 W311K95-Y270 HydrophobicContact CD-CE1 4.5Å; L97-Y270 HydrophobicContact CD2-CD1 3.83Å; L97-Y270 HydrophobicContact CD2-CD2 4.17Å; L97-Y270 HydrophobicContact CD2-CG 3.62Å; P98-Y270 HydrophobicContact CG-CE2 4.17Å; Y101-Y270 AromaticContact CD2-CD2 3.82Å; Y101-Y270 HydrophobicContact CD2-CD2 3.82Å; Y101-Y270 HydrophobicContact CD2-CE2 4.07Å; Y101-Y270 AromaticContact CE2-CD2 3.65Å; Y101-Y270 HydrophobicContact CE2-CD2 3.65Å; Y101-Y270 AromaticContact CE2-CE2 3.94Å; Y101-Y270 HydrophobicContact CE2-CE2 3.94Å; Y101-Y270 HydrophobicContact CG-CD2 4.37Å; M266-Y270 VanDerWaalsContact O-CB 3.3Å; M266-Y270 WeakPolarHBondContact O-CB 3.27Å; M266-Y270 PolarHBondContact O-N 2.87Å; Q267-Y270 PolarHBondContact O-N 3.24Å; D268-Y270 VanDerWaalsContact C-N 3.31Å; D268-Y270 PolarHBondContact O-N 2.62Å; Y270-W311 HydrophobicContact CD2-CH2 4.09Å; Y270-W311 HydrophobicContact CG-CH2 4.46Å
271T91.6Very high93.2Very high70 Ų7021.2 Ų21.243%0.42911%0.109SC..Hα-helixtrans-86.9-40.7-169.3-540000112Q267 D268Q267-T271 PolarHBondContact NE2-OG1 3.37Å; Q267-T271 VanDerWaalsContact O-CB 3.26Å; Q267-T271 WeakPolarHBondContact O-CB 3.38Å; Q267-T271 PolarHBondContact O-N 3.23Å; Q267-T271 PolarHBondContact O-OG1 3.42Å; D268-T271 PolarHBondContact O-N 3.47Å; D268-T271 VanDerWaalsContact O-N 3.16Å
272N92.1Very high93.8Very high34 Ų3423.7 Ų23.718%0.18212%0.116CC..Hα-helixtrans-118.3-14.6-168.8-52.4-61.3000113.1D268 K355D268-N272 PolarHBondContact O-N 3.08Å; D268-N272 WeakPolarHBondContact OD1-CB 3.21Å; D268-N272 PolarHBondContact OD1-ND2 2.84Å; N272-K355 WeakPolarHBondContact OD1-CE 3.42Å; N272-K355 PolarHBondContact OD1-NZ 3.01Å
273G95.9Very high94.2Very high0 Ų023.9 Ų23.90%012%0.117CC..  trans99.3-165.9178.800000114.6R137 L269R137-G273 PolarHBondContact NH2-O 3.23Å; L269-G273 WeakPolarHBondContact CA-O 3.49Å; L269-G273 WeakPolarHBondContact CD1-O 3.48Å; L269-G273 VanDerWaalsContact O-CA 3.28Å; L269-G273 WeakPolarHBondContact O-CA 3.23Å; L269-G273 PolarHBondContact O-N 3.16Å; L269-G273 VanDerWaalsContact O-N 3.11Å
274P98.1Very high94.6Very high0 Ų018.5 Ų18.50%09%0.092CC..  trans-50.3153.7-166.5-32.840.4000115.3V103 I113 V133 D136 R137 R307 I308 I309V103-P274 HydrophobicContact CB-CG 4.47Å; V103-P274 HydrophobicContact CG1-CG 4.02Å; V103-P274 HydrophobicContact CG2-CG 4.3Å; I113-P274 HydrophobicContact CG2-CG 4.45Å; V133-P274 VanDerWaalsContact CG1-O 3.24Å; V133-P274 WeakPolarHBondContact CG1-O 3.17Å; V133-P274 HydrophobicContact CG2-CB 4.17Å; D136-P274 HydrophobicContact CB-CB 4.41Å; D136-P274 HydrophobicContact CB-CG 3.82Å; R137-P274 PolarHBondContact NE-O 3.04Å; R137-P274 PolarHBondContact NH2-O 3.23Å; P274-R307 HydrophobicContact CB-CG 3.87Å; P274-I308 VanDerWaalsContact CA-O 3.24Å; P274-I308 WeakPolarHBondContact CA-O 3.02Å; P274-I308 WeakPolarHBondContact CB-O 3.33Å; P274-I309 HydrophobicContact CB-CG2 4.41Å; P274-I309 HydrophobicContact CG-CG2 4.29Å
275L96.1Very high95.1Very high0 Ų017 Ų170%09%0.086CC..EExtended strand (participates in β ladder)trans-127149.7-177.7-66166.1000110I265 D268 L269 R307 I308 I351 A353I265-L275 HydrophobicContact CG2-CD1 3.63Å; D268-L275 HydrophobicContact CB-CD1 4.49Å; D268-L275 HydrophobicContact CB-CD2 4.45Å; L269-L275 HydrophobicContact CB-CD1 3.93Å; L275-R307 CarbonylContact O-C 3.52Å; L275-R307 WeakPolarHBondContact O-CA 3.16Å; L275-I308 HydrophobicContact CB-CB 4.41Å; L275-I308 HydrophobicContact CB-CD1 4.45Å; L275-I308 PolarHBondContact N-O 2.65Å; L275-I308 PolarHBondContact O-N 3.24Å; L275-I351 HydrophobicContact CB-CG2 4.16Å; L275-I351 HydrophobicContact CD1-CG2 4Å; L275-I351 HydrophobicContact CD2-CG2 4.14Å; L275-I351 HydrophobicContact CG-CG2 4.35Å; L275-A353 HydrophobicContact CD2-CB 3.65Å
276V95.8Very high95.4Very high0 Ų016.9 Ų16.90%09%0.085CC..EExtended strand (participates in β ladder)trans-86.1131.3165.9-179.90000108.3V133 P171 F175 A305 V306 I351 V352V133-V276 HydrophobicContact CB-CG2 4.04Å; V133-V276 HydrophobicContact CG2-CG2 3.61Å; P171-V276 HydrophobicContact CB-CB 4.49Å; P171-V276 HydrophobicContact CB-CG1 3.88Å; P171-V276 HydrophobicContact CG-CG1 3.88Å; F175-V276 HydrophobicContact CE2-CG2 3.83Å; F175-V276 HydrophobicContact CZ-CG2 4.14Å; V276-A305 HydrophobicContact CG1-CB 4.2Å; V276-V306 CarbonylContact C-O 3.16Å; V276-V306 WeakPolarHBondContact CA-O 3.11Å; V276-I351 CarbonylContact O-C 3.4Å; V276-I351 VanDerWaalsContact O-CA 3.3Å; V276-I351 WeakPolarHBondContact O-CA 3.31Å; V276-V352 HydrophobicContact CB-CG1 3.84Å; V276-V352 HydrophobicContact CG1-CG1 4.31Å; V276-V352 PolarHBondContact N-O 3.3Å; V276-V352 PolarHBondContact O-N 3.47Å
277A94.1Very high95.6Very high0 Ų016.1 Ų16.10%08%0.082CC..EExtended strand (participates in β ladder)trans-113.6140.3168.800000110.3A305 V306 I308 F347 Y350 I351A277-A305 CarbonylContact O-C 3.57Å; A277-A305 VanDerWaalsContact O-CA 3.28Å; A277-A305 WeakPolarHBondContact O-CA 3.45Å; A277-V306 HydrophobicContact CB-CG2 4.26Å; A277-V306 PolarHBondContact N-O 3.03Å; A277-V306 PolarHBondContact O-N 2.73Å; A277-I308 HydrophobicContact CB-CD1 3.88Å; A277-I308 HydrophobicContact CB-CG1 3.88Å; A277-F347 HydrophobicContact CB-CD1 4.23Å; A277-F347 HydrophobicContact CB-CE1 3.78Å; A277-F347 HydrophobicContact CB-CE2 4.14Å; A277-F347 HydrophobicContact CB-CZ 3.7Å; A277-Y350 VanDerWaalsContact CA-O 3.32Å; A277-Y350 WeakPolarHBondContact CA-O 3.32Å; A277-I351 HydrophobicContact CB-CD1 3.74Å
278G93Very high95.9Very high2 Ų214.2 Ų14.22%0.0217%0.073CC..EExtended strand (participates in β ladder)trans-106134.7168.400000109.7H304 Y350G278-H304 WeakPolarHBondContact CA-O 3.46Å; G278-Y350 PolarHBondContact N-O 3.36Å
279F94.5Very high96.2Very high4 Ų413.6 Ų13.62%0.0187%0.072CC..EExtended strand (participates in β ladder)trans-147.6163.5179.877.9-69.9000112.2V281 F285 G303 H304 V306 F336 I338 C345 F347F279-V281 HydrophobicContact CD2-CG2 4.4Å; F279-V281 HydrophobicContact CE1-CG2 4.21Å; F279-V281 HydrophobicContact CE2-CG2 3.66Å; F279-V281 HydrophobicContact CZ-CG2 3.55Å; F279-F285 HydrophobicContact CE2-CD1 4.19Å; F279-F285 HydrophobicContact CE2-CE1 4.04Å; F279-F285 HydrophobicContact CE2-CG 4.5Å; F279-F285 HydrophobicContact CE2-CZ 4.22Å; F279-F285 HydrophobicContact CZ-CD1 4.12Å; F279-F285 AromaticContact CZ-CE1 3.58Å; F279-F285 HydrophobicContact CZ-CE1 3.58Å; F279-F285 AromaticContact CZ-CZ 3.86Å; F279-F285 HydrophobicContact CZ-CZ 3.86Å; F279-G303 CarbonylContact O-C 3.54Å; F279-G303 WeakPolarHBondContact O-CA 3.39Å; F279-H304 HydrophobicContact CD1-CB 4.24Å; F279-H304 WeakPolarHBondContact CD1-O 3.46Å; F279-H304 HydrophobicContact CE1-CB 3.73Å; F279-H304 AromaticContact CE1-CD2 3.69Å; F279-H304 HydrophobicContact CZ-CB 4.24Å; F279-H304 PolarHBondContact N-O 3.25Å; F279-H304 PolarHBondContact O-N 3.31Å; F279-V306 HydrophobicContact CD1-CG2 4.01Å; F279-V306 HydrophobicContact CE1-CG1 3.8Å; F279-V306 HydrophobicContact CE1-CG2 3.89Å; F279-F336 HydrophobicContact CE1-CZ 4.34Å; F279-F336 HydrophobicContact CZ-CZ 4.17Å; F279-I338 HydrophobicContact CD2-CD1 4.47Å; F279-C345 HydrophobicContact CD2-CB 4.15Å; F279-F347 HydrophobicContact CB-CB 4.08Å; F279-F347 HydrophobicContact CB-CD2 3.53Å; F279-F347 HydrophobicContact CB-CE2 4.38Å; F279-F347 HydrophobicContact CB-CG 4.22Å; F279-F347 AromaticContact CD1-CD2 3.96Å; F279-F347 HydrophobicContact CD1-CD2 3.96Å; F279-F347 AromaticContact CD1-CE2 3.99Å; F279-F347 HydrophobicContact CD1-CE2 3.99Å; F279-F347 HydrophobicContact CD2-CD2 4.15Å; F279-F347 HydrophobicContact CE1-CE2 4.45Å; F279-F347 AromaticContact CG-CD2 3.63Å; F279-F347 HydrophobicContact CG-CD2 3.63Å; F279-F347 HydrophobicContact CG-CE2 4.13Å
280V96.1Very high96.4Very high47 Ų4719.8 Ų19.829%0.28510%0.099SC..EExtended strand (participates in β ladder)trans-84123.5176-177.10000109.7Y282 S300 C345V280-Y282 HydrophobicContact CB-CE2 3.98Å; V280-Y282 HydrophobicContact CG1-CD2 4.2Å; V280-Y282 HydrophobicContact CG1-CE2 3.71Å; V280-S300 VanDerWaalsContact CG1-OG 3.26Å; V280-S300 WeakPolarHBondContact CG1-OG 3.4Å; V280-C345 PolarHBondContact N-O 3.19Å; V280-C345 WeakPolarHBondContact O-CB 3.46Å
281V98.2Very high96.5Very high0 Ų017.7 Ų17.70%09%0.092CC..EExtended strand (participates in β ladder)trans-88.1124.3172.6170.40000109.4L65 F279 F285 L286 L301 G302 H304 W326L65-V281 HydrophobicContact CD1-CB 4.04Å; L65-V281 HydrophobicContact CD1-CG1 4.15Å; L65-V281 HydrophobicContact CD2-CB 3.99Å; L65-V281 HydrophobicContact CD2-CG1 4.09Å; L65-V281 HydrophobicContact CD2-CG2 3.9Å; F279-V281 HydrophobicContact CD2-CG2 4.4Å; F279-V281 HydrophobicContact CE1-CG2 4.21Å; F279-V281 HydrophobicContact CE2-CG2 3.66Å; F279-V281 HydrophobicContact CZ-CG2 3.55Å; V281-F285 HydrophobicContact CG1-CB 4.33Å; V281-F285 HydrophobicContact CG1-CD1 4.06Å; V281-F285 HydrophobicContact CG2-CD1 4.08Å; V281-F285 HydrophobicContact CG2-CE1 4.48Å; V281-L286 HydrophobicContact CG1-CD2 4.2Å; V281-L301 HydrophobicContact CG1-CD1 4.38Å; V281-L301 PolarHBondContact O-N 2.94Å; V281-G302 PolarHBondContact N-O 3.49Å; V281-H304 HydrophobicContact CG2-CB 3.45Å; V281-H304 VanDerWaalsContact CG2-CB 3.45Å; V281-W326 HydrophobicContact CG1-CH2 4.41Å; V281-W326 HydrophobicContact CG2-CH2 4.27Å
282Y98.4Very high96.9Very high60 Ų6014.5 Ų14.524%0.2357%0.072CC..EExtended strand (participates in β ladder)trans-99.9159.5170.5-66.2-94.9000110.7V280 D284 F285 H295 S299 C345V280-Y282 HydrophobicContact CB-CE2 3.98Å; V280-Y282 HydrophobicContact CG1-CD2 4.2Å; V280-Y282 HydrophobicContact CG1-CE2 3.71Å; Y282-D284 PolarHBondContact O-N 2.84Å; Y282-F285 WeakPolarHBondContact O-CB 3.5Å; Y282-F285 PolarHBondContact O-N 3.48Å; Y282-F285 VanDerWaalsContact O-N 3.07Å; Y282-H295 VanDerWaalsContact CB-CE1 3.47Å; Y282-H295 WeakPolarHBondContact CB-CE1 3.28Å; Y282-H295 WeakPolarHBondContact CB-ND1 3.48Å; Y282-H295 AromaticContact CD1-CD2 3.86Å; Y282-H295 AromaticContact CD1-CE1 3.32Å; Y282-H295 WeakPolarHBondContact CD1-CE1 3.35Å; Y282-H295 AromaticContact CD1-ND1 3.77Å; Y282-H295 AromaticContact CD1-NE2 3.39Å; Y282-H295 WeakPolarHBondContact CD1-NE2 3.4Å; Y282-H295 HydrophobicContact CD2-CB 4.19Å; Y282-H295 AromaticContact CD2-CG 3.77Å; Y282-H295 AromaticContact CD2-ND1 3.91Å; Y282-H295 AromaticContact CE1-CD2 3.95Å; Y282-H295 AromaticContact CE1-NE2 3.68Å; Y282-H295 AromaticContact CG-CD2 3.94Å; Y282-H295 AromaticContact CG-CE1 3.44Å; Y282-H295 VanDerWaalsContact CG-CE1 3.44Å; Y282-H295 AromaticContact CG-CG 3.68Å; Y282-H295 AromaticContact CG-ND1 3.37Å; Y282-H295 AromaticContact CG-NE2 3.81Å; Y282-S299 WeakPolarHBondContact CA-O 3.11Å; Y282-C345 HydrophobicContact CD2-CB 4.44Å; Y282-C345 HydrophobicContact CE2-CB 4.1Å
283E98.3Very high97.1Very high9 Ų912.9 Ų12.94%0.0426%0.064CC..G310 helixtrans-54.1-36.9-178.6-71.5172.4148.900113.6Y21 R25 L29 F285 L286 Y287 G298 S299 L301Y21-E283 PolarHBondContact OH-OE1 3.27Å; R25-E283 IonicContact CZ-OE1 3.29Å; R25-E283 IonicContact CZ-OE2 3.32Å; R25-E283 VanDerWaalsContact CZ-OE2 3.28Å; R25-E283 IonicContact NE-OE1 3.97Å; R25-E283 PolarHBondContact NE-OE1 3.41Å; R25-E283 IonicContact NE-OE2 2.75Å; R25-E283 PolarHBondContact NE-OE2 3.32Å; R25-E283 IonicContact NH2-OE1 2.79Å; R25-E283 IonicContact NH2-OE2 3.76Å; R25-E283 PolarHBondContact NH2-OE2 2.82Å; L29-E283 HydrophobicContact CD1-CB 4.13Å; E283-F285 VanDerWaalsContact C-N 3.3Å; E283-F285 PolarHBondContact O-N 3.08Å; E283-L286 WeakPolarHBondContact O-CB 3.5Å; E283-L286 WeakPolarHBondContact O-CG 3.36Å; E283-L286 PolarHBondContact O-N 2.96Å; E283-Y287 VanDerWaalsContact O-CD2 3.24Å; E283-Y287 WeakPolarHBondContact O-CD2 3.41Å; E283-Y287 WeakPolarHBondContact O-CE2 3.4Å; E283-G298 WeakPolarHBondContact OE2-CA 3.47Å; E283-S299 VanDerWaalsContact CD-OG 3.3Å; E283-S299 PolarHBondContact N-O 2.95Å; E283-S299 PolarHBondContact OE1-OG 2.79Å; E283-S299 PolarHBondContact OE2-N 3.28Å; E283-L301 HydrophobicContact CB-CD1 4.45Å; E283-L301 HydrophobicContact CG-CD1 4Å; E283-L301 HydrophobicContact CG-CD2 3.84Å; E283-L301 HydrophobicContact CG-CG 3.92Å
284D97.9Very high97.2Very high0 Ų014.9 Ų14.90%07%0.073CC..G310 helixtrans-67.4-27.718061.50000113.8L29 F33 W45 Y282 L286 Y287 Y293 H295 K296 F297L29-D284 HydrophobicContact CD1-CB 4.26Å; F33-D284 HydrophobicContact CE2-CB 4.16Å; F33-D284 HydrophobicContact CZ-CB 4.2Å; W45-D284 HydrophobicContact CH2-CB 3.99Å; W45-D284 WeakPolarHBondContact CH2-O 3.25Å; W45-D284 HydrophobicContact CZ2-CB 4.25Å; Y282-D284 PolarHBondContact O-N 2.84Å; D284-L286 VanDerWaalsContact C-N 3.26Å; D284-L286 PolarHBondContact O-N 3.26Å; D284-Y287 PolarHBondContact O-N 3.26Å; D284-Y287 VanDerWaalsContact O-N 3.13Å; D284-Y293 PolarHBondContact OD1-OH 3.33Å; D284-H295 IonicContact OD1-CE1 3.59Å; D284-H295 IonicContact OD1-ND1 3.44Å; D284-H295 PolarHBondContact OD1-ND1 3.12Å; D284-H295 IonicContact OD2-CE1 3.77Å; D284-H295 IonicContact OD2-CG 2.81Å; D284-H295 IonicContact OD2-ND1 2.94Å; D284-H295 PolarHBondContact OD2-ND1 2Å; D284-H295 VanDerWaalsContact OD2-ND1 3.07Å; D284-K296 PolarHBondContact OD2-N 2.78Å; D284-F297 VanDerWaalsContact CB-O 3.23Å; D284-F297 WeakPolarHBondContact CB-O 3.47Å; D284-F297 PolarHBondContact OD2-N 2.78Å; D284-F297 VanDerWaalsContact OD2-O 3.07Å
285F98.6Very high97.1Very high0 Ų017.5 Ų17.50%09%0.085CC..G310 helixtrans-64.3-29.4177.1-173.5-112.1000113.2F279 V281 Y282 E283 Y287 Y288 Y293 W326 F330 F336F279-F285 HydrophobicContact CE2-CD1 4.19Å; F279-F285 HydrophobicContact CE2-CE1 4.04Å; F279-F285 HydrophobicContact CE2-CG 4.5Å; F279-F285 HydrophobicContact CE2-CZ 4.22Å; F279-F285 HydrophobicContact CZ-CD1 4.12Å; F279-F285 AromaticContact CZ-CE1 3.58Å; F279-F285 HydrophobicContact CZ-CE1 3.58Å; F279-F285 AromaticContact CZ-CZ 3.86Å; F279-F285 HydrophobicContact CZ-CZ 3.86Å; V281-F285 HydrophobicContact CG1-CB 4.33Å; V281-F285 HydrophobicContact CG1-CD1 4.06Å; V281-F285 HydrophobicContact CG2-CD1 4.08Å; V281-F285 HydrophobicContact CG2-CE1 4.48Å; Y282-F285 WeakPolarHBondContact O-CB 3.5Å; Y282-F285 PolarHBondContact O-N 3.48Å; Y282-F285 VanDerWaalsContact O-N 3.07Å; E283-F285 VanDerWaalsContact C-N 3.3Å; E283-F285 PolarHBondContact O-N 3.08Å; F285-Y287 PolarHBondContact O-N 3.39Å; F285-Y288 WeakPolarHBondContact O-CB 3.38Å; F285-Y288 PolarHBondContact O-N 3.25Å; F285-Y293 HydrophobicContact CB-CE1 4.29Å; F285-Y293 HydrophobicContact CB-CE2 3.92Å; F285-Y293 AromaticContact CD2-CD1 3.73Å; F285-Y293 HydrophobicContact CD2-CD1 3.73Å; F285-Y293 AromaticContact CD2-CD2 3.82Å; F285-Y293 HydrophobicContact CD2-CD2 3.82Å; F285-Y293 AromaticContact CD2-CE1 3.71Å; F285-Y293 HydrophobicContact CD2-CE1 3.71Å; F285-Y293 AromaticContact CD2-CE2 3.81Å; F285-Y293 HydrophobicContact CD2-CE2 3.81Å; F285-Y293 AromaticContact CD2-CG 3.79Å; F285-Y293 HydrophobicContact CD2-CG 3.79Å; F285-Y293 AromaticContact CD2-CZ 3.75Å; F285-Y293 HydrophobicContact CE2-CD1 4.17Å; F285-Y293 HydrophobicContact CE2-CG 4.21Å; F285-Y293 HydrophobicContact CG-CE1 4.34Å; F285-Y293 HydrophobicContact CG-CE2 4.37Å; F285-W326 AromaticContact CD1-CH2 3.76Å; F285-W326 HydrophobicContact CD1-CH2 3.76Å; F285-W326 AromaticContact CD1-CZ3 3.71Å; F285-W326 HydrophobicContact CD1-CZ3 3.71Å; F285-W326 HydrophobicContact CE1-CE3 4.47Å; F285-W326 AromaticContact CE1-CH2 3.61Å; F285-W326 HydrophobicContact CE1-CH2 3.61Å; F285-W326 AromaticContact CE1-CZ3 3.39Å; F285-W326 HydrophobicContact CE1-CZ3 3.39Å; F285-W326 HydrophobicContact CZ-CZ3 4.46Å; F285-F330 HydrophobicContact CD1-CZ 4.47Å; F285-F330 AromaticContact CE1-CZ 3.83Å; F285-F330 HydrophobicContact CE1-CZ 3.83Å; F285-F330 HydrophobicContact CE2-CZ 4.23Å; F285-F330 HydrophobicContact CZ-CE1 4.16Å; F285-F330 AromaticContact CZ-CZ 3.7Å; F285-F330 HydrophobicContact CZ-CZ 3.7Å; F285-F336 AromaticContact CE2-CD2 3.66Å; F285-F336 HydrophobicContact CE2-CD2 3.66Å; F285-F336 AromaticContact CE2-CE2 3.86Å; F285-F336 HydrophobicContact CE2-CE2 3.86Å; F285-F336 HydrophobicContact CE2-CG 4.01Å; F285-F336 HydrophobicContact CE2-CZ 4.35Å; F285-F336 AromaticContact CZ-CD1 3.93Å; F285-F336 HydrophobicContact CZ-CD1 3.93Å; F285-F336 AromaticContact CZ-CD2 3.79Å; F285-F336 HydrophobicContact CZ-CD2 3.79Å; F285-F336 AromaticContact CZ-CE1 3.88Å; F285-F336 HydrophobicContact CZ-CE1 3.88Å; F285-F336 AromaticContact CZ-CE2 3.75Å; F285-F336 HydrophobicContact CZ-CE2 3.75Å; F285-F336 AromaticContact CZ-CG 3.86Å; F285-F336 HydrophobicContact CZ-CG 3.86Å; F285-F336 AromaticContact CZ-CZ 3.77Å; F285-F336 HydrophobicContact CZ-CZ 3.77Å
286L97.7Very high97Very high0 Ų020.7 Ų20.70%010%0.099CC..G310 helixtrans-58-21.9176.5-55.2-178.8000112.3Y22 N50 F53 I61 V281 E283 D284 L301Y22-L286 HydrophobicContact CD2-CB 4.45Å; Y22-L286 HydrophobicContact CD2-CD1 4.3Å; Y22-L286 HydrophobicContact CE2-CB 3.96Å; N50-L286 PolarHBondContact ND2-O 2.84Å; F53-L286 HydrophobicContact CD1-CD2 4.41Å; F53-L286 HydrophobicContact CD2-CB 4.15Å; F53-L286 WeakPolarHBondContact CD2-O 3.47Å; F53-L286 HydrophobicContact CE1-CD2 3.93Å; F53-L286 HydrophobicContact CE2-CB 4.16Å; F53-L286 HydrophobicContact CE2-CD2 4.05Å; F53-L286 HydrophobicContact CZ-CD2 3.71Å; I61-L286 HydrophobicContact CD1-CD1 3.87Å; I61-L286 HydrophobicContact CG2-CD1 3.97Å; I61-L286 HydrophobicContact CG2-CD2 3.82Å; V281-L286 HydrophobicContact CG1-CD2 4.2Å; E283-L286 WeakPolarHBondContact O-CB 3.5Å; E283-L286 WeakPolarHBondContact O-CG 3.36Å; E283-L286 PolarHBondContact O-N 2.96Å; D284-L286 VanDerWaalsContact C-N 3.26Å; D284-L286 PolarHBondContact O-N 3.26Å; L286-L301 HydrophobicContact CD1-CD1 3.66Å; L286-L301 HydrophobicContact CD2-CD1 4.06Å; L286-L301 HydrophobicContact CG-CD1 3.93Å
287Y98.1Very high97Very high0 Ų022.9 Ų22.90%011%0.109CC..G310 helixtrans-110.714.4-175.9-49.6-71.4000112.7Y22 R25 Y26 L29 L47 T48 E283 D284 F285 G289Y22-Y287 HydrophobicContact CD2-CD1 4.33Å; Y22-Y287 AromaticContact CD2-CE1 3.43Å; Y22-Y287 HydrophobicContact CD2-CE1 3.43Å; Y22-Y287 VanDerWaalsContact CD2-CE1 3.43Å; Y22-Y287 AromaticContact CD2-CZ 3.68Å; Y22-Y287 WeakPolarHBondContact CD2-OH 3.46Å; Y22-Y287 HydrophobicContact CE1-CE1 4.16Å; Y22-Y287 AromaticContact CE2-CD1 3.43Å; Y22-Y287 HydrophobicContact CE2-CD1 3.43Å; Y22-Y287 VanDerWaalsContact CE2-CD1 3.43Å; Y22-Y287 AromaticContact CE2-CE1 2.94Å; Y22-Y287 HydrophobicContact CE2-CE1 2.94Å; Y22-Y287 HydrophobicContact CE2-CG 4.45Å; Y22-Y287 AromaticContact CE2-CZ 3.58Å; Y22-Y287 HydrophobicContact CG-CE1 4.2Å; Y22-Y287 AromaticContact CZ-CD1 3.62Å; Y22-Y287 AromaticContact CZ-CE1 3.37Å; Y22-Y287 PolarHBondContact O-OH 3.01Å; R25-Y287 WeakPolarHBondContact CB-OH 3.36Å; Y26-Y287 AromaticContact CD2-CD1 3.46Å; Y26-Y287 HydrophobicContact CD2-CD1 3.46Å; Y26-Y287 VanDerWaalsContact CD2-CD1 3.46Å; Y26-Y287 AromaticContact CD2-CE1 3.79Å; Y26-Y287 HydrophobicContact CD2-CE1 3.79Å; Y26-Y287 AromaticContact CD2-CG 3.97Å; Y26-Y287 HydrophobicContact CD2-CG 3.97Å; Y26-Y287 HydrophobicContact CE2-CD1 4.36Å; Y26-Y287 HydrophobicContact CG-CD1 4.29Å; Y26-Y287 HydrophobicContact CG-CE1 4.17Å; Y26-Y287 PolarHBondContact N-OH 3.07Å; L29-Y287 HydrophobicContact CD1-CD2 3.84Å; L29-Y287 HydrophobicContact CD1-CE2 3.54Å; L47-Y287 CarbonylContact C-O 3.53Å; L47-Y287 WeakPolarHBondContact CA-O 3.34Å; L47-Y287 HydrophobicContact CD1-CD2 4.31Å; L47-Y287 HydrophobicContact CD1-CG 4.13Å; T48-Y287 PolarHBondContact N-O 3.37Å; T48-Y287 CarbonylContact O-C 3.51Å; T48-Y287 WeakPolarHBondContact O-CA 3.43Å; T48-Y287 VanDerWaalsContact O-CB 3.31Å; T48-Y287 WeakPolarHBondContact O-CB 3.19Å; E283-Y287 VanDerWaalsContact O-CD2 3.24Å; E283-Y287 WeakPolarHBondContact O-CD2 3.41Å; E283-Y287 WeakPolarHBondContact O-CE2 3.4Å; D284-Y287 PolarHBondContact O-N 3.26Å; D284-Y287 VanDerWaalsContact O-N 3.13Å; F285-Y287 PolarHBondContact O-N 3.39Å; Y287-G289 PolarHBondContact O-N 2.92Å
288Y98.5Very high97.1Very high0 Ų023.9 Ų23.90%012%0.119CC..EExtended strand (participates in β ladder)trans-57.1123.8172.6173.2-91000110.3W45 N50 F285 G291 Y293 F330 E332 F336 R337W45-Y288 HydrophobicContact CB-CD2 4.42Å; W45-Y288 HydrophobicContact CB-CE2 4.29Å; W45-Y288 HydrophobicContact CE3-CD2 4.27Å; N50-Y288 PolarHBondContact ND2-O 2.98Å; N50-Y288 PolarHBondContact OD1-O 3.07Å; F285-Y288 WeakPolarHBondContact O-CB 3.38Å; F285-Y288 PolarHBondContact O-N 3.25Å; Y288-G291 WeakPolarHBondContact CE2-O 3.19Å; Y288-G291 PolarHBondContact OH-N 2.57Å; Y288-G291 PolarHBondContact OH-O 2.77Å; Y288-Y293 HydrophobicContact CD2-CD2 4.31Å; Y288-Y293 HydrophobicContact CD2-CG 4.43Å; Y288-F330 HydrophobicContact CD1-CE1 4.18Å; Y288-F330 HydrophobicContact CD1-CZ 4.15Å; Y288-F330 HydrophobicContact CG-CZ 4.47Å; Y288-E332 HydrophobicContact CE1-CG 4.47Å; Y288-E332 PolarHBondContact OH-OE2 3.01Å; Y288-F336 HydrophobicContact CD1-CB 3.69Å; Y288-F336 HydrophobicContact CE1-CB 3.32Å; Y288-F336 HydrophobicContact CE2-CB 4.24Å; Y288-F336 HydrophobicContact CG-CB 4.31Å; Y288-R337 PolarHBondContact OH-N 3.4Å; Y288-R337 VanDerWaalsContact OH-N 3.14Å
289G98.1Very high97.3Very high10 Ų1026.3 Ų26.310%0.10314%0.136CC..EExtended strand (participates in β ladder)trans-103-57.8172.700000113.3S46 Y287 G331S46-G289 PolarHBondContact O-N 3.19Å; Y287-G289 PolarHBondContact O-N 2.92Å; G289-G331 CarbonylContact O-C 3.58Å; G289-G331 VanDerWaalsContact O-CA 3.3Å; G289-G331 WeakPolarHBondContact O-CA 3.42Å
290K98.2Very high97.4Very high131 Ų13129.1 Ų29.157%0.5716%0.156SC*.EExtended strand (participates in β ladder)trans-163165.4179.159.6177.5-179.5-173.80111.1W45 S46 E332W45-K290 CarbonylContact C-O 3.58Å; W45-K290 WeakPolarHBondContact CA-O 3.35Å; W45-K290 VanDerWaalsContact CB-O 3.31Å; W45-K290 WeakPolarHBondContact CB-O 3.14Å; S46-K290 PolarHBondContact N-O 3.09Å; S46-K290 WeakPolarHBondContact OG-CG 3.33Å; S46-K290 PolarHBondContact OG-N 3.45Å; K290-E332 HydrophobicContact CB-CG 3.69Å
291G98.1Very high97.5Very high5 Ų527.3 Ų27.35%0.05215%0.145CC..EExtended strand (participates in β ladder)trans99.9-165.2178.200000112.3T44 Y288 R337T44-G291 CarbonylContact O-C 3Å; T44-G291 WeakPolarHBondContact O-CA 3.36Å; Y288-G291 WeakPolarHBondContact CE2-O 3.19Å; Y288-G291 PolarHBondContact OH-N 2.57Å; Y288-G291 PolarHBondContact OH-O 2.77Å; G291-R337 WeakPolarHBondContact O-CB 3.3Å
292V98.3Very high97.3Very high2 Ų228.4 Ų28.41%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-94.7106.9179.5-175.30000109.4T44 Q294 E314 V317 Y319 R339T44-V292 WeakPolarHBondContact CB-O 3.22Å; T44-V292 PolarHBondContact O-N 3.01Å; T44-V292 PolarHBondContact OG1-O 3.33Å; V292-Q294 PolarHBondContact O-N 3.36Å; V292-E314 HydrophobicContact CG2-CB 4.08Å; V292-V317 HydrophobicContact CB-CG1 4.22Å; V292-V317 HydrophobicContact CG1-CG1 3.76Å; V292-Y319 HydrophobicContact CG2-CD1 3.77Å; V292-Y319 HydrophobicContact CG2-CG 4.13Å; V292-R339 HydrophobicContact CG1-CB 4.18Å
293Y98.4Very high97.3Very high0 Ų026.4 Ų26.40%015%0.154CC..EExtended strand (participates in β ladder)trans-61.6133.2178.2178.2-105.5000111.3W45 D284 F285 Y288 H295 R337 I338 R339W45-Y293 HydrophobicContact CD2-CD2 4.03Å; W45-Y293 AromaticContact CE2-CD2 3.77Å; W45-Y293 HydrophobicContact CE3-CD2 4.42Å; W45-Y293 HydrophobicContact CG-CD2 4.46Å; W45-Y293 HydrophobicContact CH2-CD2 4.37Å; W45-Y293 HydrophobicContact CH2-CE2 4.22Å; W45-Y293 AromaticContact CZ2-CD2 3.95Å; W45-Y293 HydrophobicContact CZ2-CD2 3.95Å; W45-Y293 AromaticContact CZ2-CE2 3.83Å; W45-Y293 HydrophobicContact CZ2-CE2 3.83Å; D284-Y293 PolarHBondContact OD1-OH 3.33Å; F285-Y293 HydrophobicContact CB-CE1 4.29Å; F285-Y293 HydrophobicContact CB-CE2 3.92Å; F285-Y293 AromaticContact CD2-CD1 3.73Å; F285-Y293 HydrophobicContact CD2-CD1 3.73Å; F285-Y293 AromaticContact CD2-CD2 3.82Å; F285-Y293 HydrophobicContact CD2-CD2 3.82Å; F285-Y293 AromaticContact CD2-CE1 3.71Å; F285-Y293 HydrophobicContact CD2-CE1 3.71Å; F285-Y293 AromaticContact CD2-CE2 3.81Å; F285-Y293 HydrophobicContact CD2-CE2 3.81Å; F285-Y293 AromaticContact CD2-CG 3.79Å; F285-Y293 HydrophobicContact CD2-CG 3.79Å; F285-Y293 AromaticContact CD2-CZ 3.75Å; F285-Y293 HydrophobicContact CE2-CD1 4.17Å; F285-Y293 HydrophobicContact CE2-CG 4.21Å; F285-Y293 HydrophobicContact CG-CE1 4.34Å; F285-Y293 HydrophobicContact CG-CE2 4.37Å; Y288-Y293 HydrophobicContact CD2-CD2 4.31Å; Y288-Y293 HydrophobicContact CD2-CG 4.43Å; Y293-H295 HydrophobicContact CE1-CB 4.38Å; Y293-H295 WeakPolarHBondContact OH-CB 3.39Å; Y293-R337 VanDerWaalsContact CB-O 3.27Å; Y293-R337 WeakPolarHBondContact CB-O 3.17Å; Y293-R337 PolarHBondContact N-O 3.13Å; Y293-I338 HydrophobicContact CD1-CD1 3.91Å; Y293-I338 HydrophobicContact CD1-CG1 4Å; Y293-I338 HydrophobicContact CE1-CD1 4.39Å; Y293-R339 PolarHBondContact O-N 2.79Å; Y293-R339 VanDerWaalsContact O-N 3.1Å
294Q96.8Very high97.3Very high42 Ų4226 Ų2620%0.19615%0.152CC..  trans-142.7124.5169.7-68.9179.587.200106.4T44 W45 V292 R339 E344T44-Q294 PolarHBondContact OG1-NE2 2.82Å; W45-Q294 PolarHBondContact NE1-O 3.41Å; V292-Q294 PolarHBondContact O-N 3.36Å; Q294-R339 HydrophobicContact CG-CB 3.81Å; Q294-R339 HydrophobicContact CG-CG 4.43Å; Q294-E344 WeakPolarHBondContact CA-OE1 3.47Å
295H96.1Very high97.3Very high56 Ų5626 Ų2626%0.25915%0.152SC..  trans-62.3139.8178.317357.7000110.3Y282 D284 Y293 F297 G298 E344Y282-H295 VanDerWaalsContact CB-CE1 3.47Å; Y282-H295 WeakPolarHBondContact CB-CE1 3.28Å; Y282-H295 WeakPolarHBondContact CB-ND1 3.48Å; Y282-H295 AromaticContact CD1-CD2 3.86Å; Y282-H295 AromaticContact CD1-CE1 3.32Å; Y282-H295 WeakPolarHBondContact CD1-CE1 3.35Å; Y282-H295 AromaticContact CD1-ND1 3.77Å; Y282-H295 AromaticContact CD1-NE2 3.39Å; Y282-H295 WeakPolarHBondContact CD1-NE2 3.4Å; Y282-H295 HydrophobicContact CD2-CB 4.19Å; Y282-H295 AromaticContact CD2-CG 3.77Å; Y282-H295 AromaticContact CD2-ND1 3.91Å; Y282-H295 AromaticContact CE1-CD2 3.95Å; Y282-H295 AromaticContact CE1-NE2 3.68Å; Y282-H295 AromaticContact CG-CD2 3.94Å; Y282-H295 AromaticContact CG-CE1 3.44Å; Y282-H295 VanDerWaalsContact CG-CE1 3.44Å; Y282-H295 AromaticContact CG-CG 3.68Å; Y282-H295 AromaticContact CG-ND1 3.37Å; Y282-H295 AromaticContact CG-NE2 3.81Å; D284-H295 IonicContact OD1-CE1 3.59Å; D284-H295 IonicContact OD1-ND1 3.44Å; D284-H295 PolarHBondContact OD1-ND1 3.12Å; D284-H295 IonicContact OD2-CE1 3.77Å; D284-H295 IonicContact OD2-CG 2.81Å; D284-H295 IonicContact OD2-ND1 2.94Å; D284-H295 PolarHBondContact OD2-ND1 2Å; D284-H295 VanDerWaalsContact OD2-ND1 3.07Å; Y293-H295 HydrophobicContact CE1-CB 4.38Å; Y293-H295 WeakPolarHBondContact OH-CB 3.39Å; H295-F297 PolarHBondContact CE1-O 3.41Å; H295-F297 VanDerWaalsContact CE1-O 3.26Å; H295-G298 PolarHBondContact CE1-O 3.3Å; H295-E344 PolarHBondContact N-OE1 3.14Å
296K94.8Very high97.3Very high66 Ų6626 Ų2629%0.28715%0.152SC..  trans-138.3-41.6178.9-166.7173.4-168.7161.30113.6F33 D36 S41 D284F33-K296 HydrophobicContact CD1-CD 4.12Å; F33-K296 HydrophobicContact CE1-CB 3.9Å; F33-K296 HydrophobicContact CE1-CD 3.65Å; F33-K296 HydrophobicContact CE1-CG 4.29Å; F33-K296 HydrophobicContact CZ-CB 4.05Å; D36-K296 VanDerWaalsContact CG-NZ 3.27Å; D36-K296 WeakPolarHBondContact OD1-CE 3.24Å; D36-K296 IonicContact OD1-NZ 3.73Å; D36-K296 WeakPolarHBondContact OD2-CE 3.47Å; D36-K296 IonicContact OD2-NZ 2.68Å; D36-K296 PolarHBondContact OD2-NZ 2.91Å; S41-K296 PolarHBondContact OG-NZ 3.07Å; D284-K296 PolarHBondContact OD2-N 2.78Å
297F95.6Very high97.3Very high46 Ų4626.5 Ų26.520%0.20215%0.154CC..SBendtrans-140.2154.2-173.3-63.9-58.5000112L29 K32 F33 D36 D284 H295L29-F297 HydrophobicContact CD2-CB 3.62Å; K32-F297 HydrophobicContact CB-CD1 4.43Å; K32-F297 HydrophobicContact CB-CD2 3.88Å; K32-F297 HydrophobicContact CB-CE2 3.95Å; K32-F297 HydrophobicContact CB-CG 4.14Å; K32-F297 HydrophobicContact CB-CZ 4.27Å; K32-F297 HydrophobicContact CD-CB 4.35Å; K32-F297 HydrophobicContact CD-CD1 4.19Å; K32-F297 HydrophobicContact CD-CG 4.2Å; F33-F297 HydrophobicContact CD1-CD2 4.01Å; F33-F297 HydrophobicContact CD1-CE2 4.06Å; F33-F297 HydrophobicContact CD2-CD2 4.05Å; F33-F297 AromaticContact CE1-CD2 3.89Å; F33-F297 HydrophobicContact CE1-CD2 3.89Å; F33-F297 HydrophobicContact CE1-CE2 4.25Å; F33-F297 HydrophobicContact CE2-CB 4.48Å; F33-F297 AromaticContact CE2-CD2 3.89Å; F33-F297 HydrophobicContact CE2-CD2 3.89Å; F33-F297 HydrophobicContact CG-CD2 4.09Å; F33-F297 HydrophobicContact CG-CE2 4.28Å; F33-F297 AromaticContact CZ-CD2 3.8Å; F33-F297 HydrophobicContact CZ-CD2 3.8Å; D36-F297 HydrophobicContact CB-CE2 4.08Å; D36-F297 HydrophobicContact CB-CZ 3.92Å; D284-F297 VanDerWaalsContact CB-O 3.23Å; D284-F297 WeakPolarHBondContact CB-O 3.47Å; D284-F297 PolarHBondContact OD2-N 2.78Å; D284-F297 VanDerWaalsContact OD2-O 3.07Å; H295-F297 PolarHBondContact CE1-O 3.41Å; H295-F297 VanDerWaalsContact CE1-O 3.26Å
298G96.5Very high97.3Very high22 Ų2226.5 Ų26.523%0.22715%0.154CC..SBendtrans94.6162.7176.900000112.8E283 H295E283-G298 WeakPolarHBondContact OE2-CA 3.47Å; H295-G298 PolarHBondContact CE1-O 3.3Å
299S96.4Very high97.3Very high53 Ų5326.5 Ų26.537%0.37115%0.154SC..  trans-84.8159.8-175.263.20000112.4Y282 E283Y282-S299 WeakPolarHBondContact CA-O 3.11Å; E283-S299 VanDerWaalsContact CD-OG 3.3Å; E283-S299 PolarHBondContact N-O 2.95Å; E283-S299 PolarHBondContact OE1-OG 2.79Å; E283-S299 PolarHBondContact OE2-N 3.28Å
300S96.8Very high97.3Very high63 Ų6326 Ų2644%0.44115%0.149SC..EExtended strand (participates in β ladder)trans-65.4136.4169.11720000110.3V280V280-S300 VanDerWaalsContact CG1-OG 3.26Å; V280-S300 WeakPolarHBondContact CG1-OG 3.4Å
301L96.8Very high97.4Very high8 Ų820 Ų204%0.04212%0.122CC..EExtended strand (participates in β ladder)trans-105.4-35.5179.4-67174.8000113Y21 K58 I61 Q62 L65 V281 E283 L286Y21-L301 WeakPolarHBondContact OH-CD2 3.37Å; K58-L301 HydrophobicContact CG-CD2 4.43Å; I61-L301 HydrophobicContact CG2-CD1 3.96Å; Q62-L301 WeakPolarHBondContact CG-O 3.15Å; Q62-L301 PolarHBondContact NE2-O 3.06Å; L65-L301 HydrophobicContact CD1-CB 3.46Å; L65-L301 VanDerWaalsContact CD1-CB 3.46Å; V281-L301 HydrophobicContact CG1-CD1 4.38Å; V281-L301 PolarHBondContact O-N 2.94Å; E283-L301 HydrophobicContact CB-CD1 4.45Å; E283-L301 HydrophobicContact CG-CD1 4Å; E283-L301 HydrophobicContact CG-CD2 3.84Å; E283-L301 HydrophobicContact CG-CG 3.92Å; L286-L301 HydrophobicContact CD1-CD1 3.66Å; L286-L301 HydrophobicContact CD2-CD1 4.06Å; L286-L301 HydrophobicContact CG-CD1 3.93Å
302G95.9Very high97.4Very high24 Ų2419.7 Ų19.725%0.24712%0.12CC..EExtended strand (participates in β ladder)trans160.8-177.1-17700000112.8V281V281-G302 PolarHBondContact N-O 3.49Å
303G96.7Very high97.4Very high17 Ų1721.4 Ų21.418%0.17513%0.13CC..EExtended strand (participates in β ladder)trans-90.2138.3176.600000112.1L65 F67 F279L65-G303 CarbonylContact C-O 3.6Å; L65-G303 VanDerWaalsContact CA-O 3.27Å; L65-G303 WeakPolarHBondContact CA-O 3.32Å; L65-G303 WeakPolarHBondContact CB-O 3.26Å; L65-G303 VanDerWaalsContact O-O 3.04Å; F67-G303 WeakPolarHBondContact CB-O 3.46Å; F67-G303 PolarHBondContact N-O 2.9Å; F67-G303 VanDerWaalsContact N-O 3.1Å; F279-G303 CarbonylContact O-C 3.54Å; F279-G303 WeakPolarHBondContact O-CA 3.39Å
304H98.2Very high97.3Very high0 Ų023.7 Ų23.70%014%0.141CC..EExtended strand (participates in β ladder)trans-127.1148.2174.4-169.940.5000111.5L65 Q119 C125 G278 F279 V281 V306 N324 W326L65-H304 HydrophobicContact CD2-CB 4.07Å; Q119-H304 PolarHBondContact OE1-CE1 3.07Å; C125-H304 WeakPolarHBondContact CB-CE1 3.45Å; C125-H304 WeakPolarHBondContact CB-ND1 3.28Å; C125-H304 PolarHBondContact SG-ND1 3Å; C125-H304 VanDerWaalsContact SG-ND1 3.42Å; G278-H304 WeakPolarHBondContact CA-O 3.46Å; F279-H304 HydrophobicContact CD1-CB 4.24Å; F279-H304 WeakPolarHBondContact CD1-O 3.46Å; F279-H304 HydrophobicContact CE1-CB 3.73Å; F279-H304 AromaticContact CE1-CD2 3.69Å; F279-H304 HydrophobicContact CZ-CB 4.24Å; F279-H304 PolarHBondContact N-O 3.25Å; F279-H304 PolarHBondContact O-N 3.31Å; V281-H304 HydrophobicContact CG2-CB 3.45Å; V281-H304 VanDerWaalsContact CG2-CB 3.45Å; H304-V306 VanDerWaalsContact CD2-CG1 3.43Å; H304-V306 WeakPolarHBondContact CD2-CG1 3.23Å; H304-N324 PolarHBondContact NE2-OD1 2.89Å; H304-W326 AromaticContact CD2-CH2 3.98Å; H304-W326 AromaticContact CD2-CZ2 3.5Å; H304-W326 VanDerWaalsContact CD2-CZ2 3.5Å; H304-W326 WeakPolarHBondContact CD2-CZ2 2.95Å; H304-W326 AromaticContact CE1-CE2 3.8Å; H304-W326 AromaticContact CE1-CZ2 3.89Å; H304-W326 AromaticContact CE1-NE1 3.49Å; H304-W326 PolarHBondContact CE1-NE1 3.31Å; H304-W326 AromaticContact CG-CZ2 3.96Å; H304-W326 AromaticContact NE2-CE2 3.47Å; H304-W326 AromaticContact NE2-CZ2 3.47Å; H304-W326 WeakPolarHBondContact NE2-CZ2 3.4Å; H304-W326 AromaticContact NE2-NE1 3.58Å
305A97.9Very high97.1Very high0 Ų029.8 Ų29.80%017%0.167CC..EExtended strand (participates in β ladder)trans-116.8130.1178.800000110.7F67 W126 P171 V276 A277F67-A305 HydrophobicContact CB-CB 3.92Å; F67-A305 HydrophobicContact CD2-CB 4.37Å; F67-A305 HydrophobicContact CG-CB 4.24Å; W126-A305 HydrophobicContact CB-CB 4.48Å; P171-A305 HydrophobicContact CG-CB 4.01Å; V276-A305 HydrophobicContact CG1-CB 4.2Å; A277-A305 CarbonylContact O-C 3.57Å; A277-A305 VanDerWaalsContact O-CA 3.28Å; A277-A305 WeakPolarHBondContact O-CA 3.45Å
306V98.7Very high97Very high1 Ų130.4 Ų30.41%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-139.6168.2-170.5-68.70000111.1V276 A277 F279 H304 V322 F336 F347V276-V306 CarbonylContact C-O 3.16Å; V276-V306 WeakPolarHBondContact CA-O 3.11Å; A277-V306 HydrophobicContact CB-CG2 4.26Å; A277-V306 PolarHBondContact N-O 3.03Å; A277-V306 PolarHBondContact O-N 2.73Å; F279-V306 HydrophobicContact CD1-CG2 4.01Å; F279-V306 HydrophobicContact CE1-CG1 3.8Å; F279-V306 HydrophobicContact CE1-CG2 3.89Å; H304-V306 VanDerWaalsContact CD2-CG1 3.43Å; H304-V306 WeakPolarHBondContact CD2-CG1 3.23Å; V306-V322 HydrophobicContact CB-CG1 3.62Å; V306-V322 HydrophobicContact CG1-CG1 4.5Å; V306-V322 HydrophobicContact CG2-CG1 3.48Å; V306-V322 VanDerWaalsContact CG2-CG1 3.48Å; V306-F336 HydrophobicContact CB-CE1 4.44Å; V306-F336 HydrophobicContact CB-CZ 4.49Å; V306-F336 HydrophobicContact CG1-CE1 4.1Å; V306-F336 HydrophobicContact CG1-CZ 4.3Å; V306-F336 HydrophobicContact CG2-CZ 4.15Å; V306-F347 HydrophobicContact CG2-CE2 3.62Å; V306-F347 HydrophobicContact CG2-CZ 3.86Å
307R98.3Very high97.1Very high10 Ų1028.5 Ų28.54%0.03818%0.182CC..EExtended strand (participates in β ladder)trans-108115.5-176.3176.3178.460.2173.6-4111Y112 I113 F115 V133 D136 P274 L275 I309 V322 A323Y112-R307 PolarHBondContact O-NH1 3.28Å; I113-R307 PolarHBondContact O-NH2 3.5Å; F115-R307 PolarHBondContact O-NH2 2.9Å; V133-R307 HydrophobicContact CG2-CB 4.3Å; V133-R307 HydrophobicContact CG2-CG 3.7Å; D136-R307 IonicContact OD1-NH1 3.67Å; D136-R307 PolarHBondContact OD1-NH1 3.36Å; D136-R307 WeakPolarHBondContact OD2-CD 3.47Å; D136-R307 IonicContact OD2-CZ 2.65Å; D136-R307 IonicContact OD2-NE 3.1Å; D136-R307 IonicContact OD2-NH1 3.78Å; D136-R307 PolarHBondContact OD2-NH1 3.36Å; P274-R307 HydrophobicContact CB-CG 3.87Å; L275-R307 CarbonylContact O-C 3.52Å; L275-R307 WeakPolarHBondContact O-CA 3.16Å; R307-I309 HydrophobicContact CG-CG2 3.84Å; R307-V322 WeakPolarHBondContact O-CA 3.01Å; R307-V322 WeakPolarHBondContact O-CG1 2.76Å; R307-A323 HydrophobicContact CB-CB 4.42Å; R307-A323 PolarHBondContact N-O 2.91Å; R307-A323 VanDerWaalsContact N-O 3.12Å; R307-A323 PolarHBondContact O-N 2.96Å
308I98.6Very high97.2Very high0 Ų029.3 Ų29.30%019%0.189CC..EExtended strand (participates in β ladder)trans-75.1127.1171.2-47.7179.5000109I265 L269 P274 L275 A277 W320 F347 I351I265-I308 HydrophobicContact CG2-CD1 4.23Å; L269-I308 HydrophobicContact CD2-CB 4.45Å; L269-I308 HydrophobicContact CD2-CG2 3.57Å; P274-I308 VanDerWaalsContact CA-O 3.24Å; P274-I308 WeakPolarHBondContact CA-O 3.02Å; P274-I308 WeakPolarHBondContact CB-O 3.33Å; L275-I308 HydrophobicContact CB-CB 4.41Å; L275-I308 HydrophobicContact CB-CD1 4.45Å; L275-I308 PolarHBondContact N-O 2.65Å; L275-I308 PolarHBondContact O-N 3.24Å; A277-I308 HydrophobicContact CB-CD1 3.88Å; A277-I308 HydrophobicContact CB-CG1 3.88Å; I308-W320 HydrophobicContact CG2-CB 4.46Å; I308-W320 HydrophobicContact CG2-CD2 4.34Å; I308-W320 HydrophobicContact CG2-CE3 3.75Å; I308-W320 HydrophobicContact CG2-CZ3 4.38Å; I308-F347 HydrophobicContact CD1-CE1 3.77Å; I308-F347 HydrophobicContact CD1-CZ 4.49Å; I308-F347 HydrophobicContact CG1-CE1 3.86Å; I308-F347 HydrophobicContact CG1-CZ 4.12Å; I308-I351 HydrophobicContact CD1-CD1 3.79Å
309I98.7Very high97.3Very high1 Ų129.6 Ų29.61%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-124.83.2-179.462166.9000113.6V103 P274 R307 L321 A323 L335V103-I309 WeakPolarHBondContact CB-O 3.24Å; V103-I309 WeakPolarHBondContact CG2-O 3.41Å; V103-I309 PolarHBondContact N-O 3.32Å; P274-I309 HydrophobicContact CB-CG2 4.41Å; P274-I309 HydrophobicContact CG-CG2 4.29Å; R307-I309 HydrophobicContact CG-CG2 3.84Å; I309-L321 HydrophobicContact CD1-CD2 4.09Å; I309-L321 HydrophobicContact CD1-CG 4.14Å; I309-L321 HydrophobicContact CG1-CB 4.44Å; I309-L321 HydrophobicContact CG1-CD2 4.02Å; I309-L321 HydrophobicContact CG1-CG 3.84Å; I309-L321 WeakPolarHBondContact CG1-O 3.39Å; I309-L321 PolarHBondContact N-O 3.06Å; I309-A323 HydrophobicContact CD1-CB 4.39Å; I309-A323 HydrophobicContact CG2-CB 4.33Å; I309-L335 HydrophobicContact CD1-CD2 3.91Å
310G98.7Very high97.5Very high0 Ų027.1 Ų27.10%017%0.165CC..EExtended strand (participates in β ladder)trans172.9-171.7179.600000113.8Y101 L321Y101-G310 CarbonylContact O-C 3.5Å; Y101-G310 WeakPolarHBondContact O-CA 3.4Å; G310-L321 PolarHBondContact N-O 3.15Å; G310-L321 PolarHBondContact O-N 3.18Å
311W98.8Very high97.6Very high3 Ų324.9 Ų24.91%0.01115%0.149CC..EExtended strand (participates in β ladder)trans-154.1167.5171.564.684.8000110L97 P98 E99 Y101 M266 L269 Y270 Y319 W320L97-W311 HydrophobicContact CB-CZ2 4.32Å; P98-W311 HydrophobicContact CG-CZ2 4.11Å; P98-W311 PolarHBondContact O-NE1 3.4Å; E99-W311 PolarHBondContact O-NE1 2.66Å; Y101-W311 HydrophobicContact CD1-CD2 4.43Å; Y101-W311 AromaticContact CD1-CE3 3.74Å; Y101-W311 HydrophobicContact CD1-CE3 3.74Å; Y101-W311 AromaticContact CD1-CH2 3.43Å; Y101-W311 HydrophobicContact CD1-CH2 3.43Å; Y101-W311 VanDerWaalsContact CD1-CH2 3.43Å; Y101-W311 HydrophobicContact CD1-CZ2 4.17Å; Y101-W311 AromaticContact CD1-CZ3 3.19Å; Y101-W311 HydrophobicContact CD1-CZ3 3.19Å; Y101-W311 HydrophobicContact CD2-CH2 4.38Å; Y101-W311 HydrophobicContact CE1-CH2 4.17Å; Y101-W311 AromaticContact CE1-CZ3 3.94Å; Y101-W311 HydrophobicContact CE1-CZ3 3.94Å; Y101-W311 HydrophobicContact CG-CD2 4.5Å; Y101-W311 HydrophobicContact CG-CE3 4.22Å; Y101-W311 AromaticContact CG-CH2 3.53Å; Y101-W311 HydrophobicContact CG-CH2 3.53Å; Y101-W311 AromaticContact CG-CZ2 3.85Å; Y101-W311 HydrophobicContact CG-CZ2 3.85Å; Y101-W311 AromaticContact CG-CZ3 3.75Å; Y101-W311 HydrophobicContact CG-CZ3 3.75Å; Y101-W311 PolarHBondContact N-O 3.29Å; Y101-W311 PolarHBondContact O-N 2.75Å; Y101-W311 VanDerWaalsContact O-O 3.1Å; M266-W311 HydrophobicContact CB-CE3 4.42Å; M266-W311 HydrophobicContact CB-CH2 4.3Å; M266-W311 HydrophobicContact CB-CZ3 4.21Å; M266-W311 HydrophobicContact CE-CD2 3.81Å; M266-W311 VanDerWaalsContact CE-CE2 3.43Å; M266-W311 HydrophobicContact CE-CG 3.94Å; M266-W311 HydrophobicContact CE-CZ2 3.96Å; M266-W311 VanDerWaalsContact CE-NE1 3.33Å; M266-W311 HydrophobicContact CG-CD2 4.44Å; M266-W311 HydrophobicContact CG-CE3 4.42Å; L269-W311 HydrophobicContact CB-CZ3 4.09Å; L269-W311 HydrophobicContact CD2-CE3 3.65Å; L269-W311 HydrophobicContact CD2-CZ3 3.71Å; L269-W311 HydrophobicContact CG-CE3 4.3Å; L269-W311 HydrophobicContact CG-CZ3 3.84Å; Y270-W311 HydrophobicContact CD2-CH2 4.09Å; Y270-W311 HydrophobicContact CG-CH2 4.46Å; W311-Y319 WeakPolarHBondContact CA-O 3.24Å; W311-Y319 WeakPolarHBondContact CB-O 3.15Å; W311-W320 HydrophobicContact CB-CE3 4.02Å; W311-W320 HydrophobicContact CB-CZ3 4.26Å; W311-W320 HydrophobicContact CE3-CZ3 4.15Å
312G98.6Very high97.7Very high0 Ų024.5 Ų24.50%015%0.147CC..EExtended strand (participates in β ladder)trans-171.9-165.317200000111.9Y319G312-Y319 PolarHBondContact N-O 2.83Å; G312-Y319 VanDerWaalsContact N-O 3.1Å; G312-Y319 WeakPolarHBondContact O-CD1 3.43Å; G312-Y319 PolarHBondContact O-N 3.38Å
313V98.2Very high97.8Very high37 Ų3723.5 Ų23.522%0.22414%0.136CC..EExtended strand (participates in β ladder)trans-131.9121.8177.3-174.20000108.4E99 V317 D318E99-V313 HydrophobicContact CG-CB 4.45Å; E99-V313 HydrophobicContact CG-CG2 3.66Å; V313-V317 WeakPolarHBondContact CA-O 3.39Å; V313-D318 WeakPolarHBondContact CG2-OD1 3.16Å
314E96.8Very high97.9Very high48 Ų4823 Ų2322%0.22413%0.129CC..EExtended strand (participates in β ladder)trans-115.7123169.3-178.817914000109.1V292 G316 V317 Y319 R337V292-E314 HydrophobicContact CG2-CB 4.08Å; E314-G316 PolarHBondContact O-N 3.23Å; E314-V317 PolarHBondContact N-O 3.29Å; E314-V317 WeakPolarHBondContact O-CB 3.36Å; E314-V317 PolarHBondContact O-N 3.03Å; E314-Y319 HydrophobicContact CB-CD1 4.32Å; E314-Y319 HydrophobicContact CB-CE1 4.1Å; E314-R337 IonicContact OE2-CZ 3.98Å; E314-R337 VanDerWaalsContact OE2-CZ 3.25Å; E314-R337 IonicContact OE2-NH1 3.84Å; E314-R337 PolarHBondContact OE2-NH1 2.87Å; E314-R337 IonicContact OE2-NH2 3.71Å; E314-R337 PolarHBondContact OE2-NH2 2.88Å
315K93.1Very high97.9Very high170 Ų17023.2 Ų23.274%0.73913%0.131SC*.THydrogen-bonded Turntrans51.940.6175.5-61164.7-171146.30112.7V317K315-V317 VanDerWaalsContact C-N 3.3Å; K315-V317 PolarHBondContact O-N 3.49Å
316G94Very high97.8Very high69 Ų6923.2 Ų23.271%0.71113%0.131SC*.THydrogen-bonded Turntrans77.89.3-179.300000115E314E314-G316 PolarHBondContact O-N 3.23Å
317V96.6Very high97.6Very high27 Ų2724.1 Ų24.116%0.16414%0.135CC..EExtended strand (participates in β ladder)trans-110.8114.1177-171.20000110T44 V292 V313 E314 K315 R339T44-V317 HydrophobicContact CG2-CG2 3.97Å; V292-V317 HydrophobicContact CB-CG1 4.22Å; V292-V317 HydrophobicContact CG1-CG1 3.76Å; V313-V317 WeakPolarHBondContact CA-O 3.39Å; E314-V317 PolarHBondContact N-O 3.29Å; E314-V317 WeakPolarHBondContact O-CB 3.36Å; E314-V317 PolarHBondContact O-N 3.03Å; K315-V317 VanDerWaalsContact C-N 3.3Å; K315-V317 PolarHBondContact O-N 3.49Å; V317-R339 HydrophobicContact CG1-CG 4.18Å
318D98Very high97.4Very high63 Ų6329.3 Ų29.334%0.33716%0.16SC..EExtended strand (participates in β ladder)trans-63.4133.8172.7-76.221.6000111.1V313 R339 R340V313-D318 WeakPolarHBondContact CG2-OD1 3.16Å; D318-R339 WeakPolarHBondContact O-CA 3.49Å; D318-R340 HydrophobicContact CB-CB 4.3Å; D318-R340 PolarHBondContact O-N 2.72Å; D318-R340 IonicContact OD1-NH2 3.89Å; D318-R340 IonicContact OD2-CZ 3.68Å; D318-R340 VanDerWaalsContact OD2-CZ 3.3Å; D318-R340 IonicContact OD2-NH1 3.28Å; D318-R340 PolarHBondContact OD2-NH1 2.99Å; D318-R340 IonicContact OD2-NH2 3.32Å; D318-R340 PolarHBondContact OD2-NH2 3.18Å
319Y98.7Very high97.2Very high27 Ų2732.3 Ų32.311%0.10618%0.178CC..EExtended strand (participates in β ladder)trans-137.1154.6179.468.2-100.9000113.7V292 W311 G312 E314 L321 R337 I338V292-Y319 HydrophobicContact CG2-CD1 3.77Å; V292-Y319 HydrophobicContact CG2-CG 4.13Å; W311-Y319 WeakPolarHBondContact CA-O 3.24Å; W311-Y319 WeakPolarHBondContact CB-O 3.15Å; G312-Y319 PolarHBondContact N-O 2.83Å; G312-Y319 VanDerWaalsContact N-O 3.1Å; G312-Y319 WeakPolarHBondContact O-CD1 3.43Å; G312-Y319 PolarHBondContact O-N 3.38Å; E314-Y319 HydrophobicContact CB-CD1 4.32Å; E314-Y319 HydrophobicContact CB-CE1 4.1Å; Y319-L321 HydrophobicContact CE2-CB 4.19Å; Y319-R337 HydrophobicContact CD2-CB 3.77Å; Y319-R337 HydrophobicContact CD2-CG 3.65Å; Y319-R337 HydrophobicContact CE2-CB 4.4Å; Y319-R337 HydrophobicContact CE2-CG 3.81Å; Y319-R337 HydrophobicContact CG-CB 3.97Å; Y319-R337 HydrophobicContact CG-CG 4.27Å; Y319-I338 CarbonylContact C-O 3.49Å; Y319-I338 WeakPolarHBondContact CA-O 3.49Å; Y319-I338 WeakPolarHBondContact CB-O 3.29Å
320W98.8Very high97.1Very high1 Ų132.2 Ų32.20%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-87.2135.7159.2-66.2115.5000109.7T262 I265 M266 L269 I308 W311 V322 R337 I338 R340 F347 E348T262-W320 HydrophobicContact CG2-CH2 4.46Å; T262-W320 HydrophobicContact CG2-CZ2 3.91Å; I265-W320 HydrophobicContact CB-CH2 3.77Å; I265-W320 HydrophobicContact CB-CZ2 4.01Å; I265-W320 HydrophobicContact CD1-CZ2 4.37Å; I265-W320 HydrophobicContact CG2-CH2 3.39Å; I265-W320 HydrophobicContact CG2-CZ2 3.7Å; I265-W320 HydrophobicContact CG2-CZ3 4.07Å; M266-W320 HydrophobicContact CB-CH2 4.32Å; M266-W320 HydrophobicContact CG-CH2 3.35Å; M266-W320 HydrophobicContact CG-CZ2 4.35Å; M266-W320 HydrophobicContact CG-CZ3 3.75Å; L269-W320 HydrophobicContact CD2-CZ3 4.21Å; I308-W320 HydrophobicContact CG2-CB 4.46Å; I308-W320 HydrophobicContact CG2-CD2 4.34Å; I308-W320 HydrophobicContact CG2-CE3 3.75Å; I308-W320 HydrophobicContact CG2-CZ3 4.38Å; W311-W320 HydrophobicContact CB-CE3 4.02Å; W311-W320 HydrophobicContact CB-CZ3 4.26Å; W311-W320 HydrophobicContact CE3-CZ3 4.15Å; W320-V322 HydrophobicContact CB-CG2 3.96Å; W320-R337 VanDerWaalsContact O-CA 3.25Å; W320-R337 WeakPolarHBondContact O-CA 3.45Å; W320-I338 HydrophobicContact CB-CG2 3.95Å; W320-I338 PolarHBondContact N-O 2.93Å; W320-I338 PolarHBondContact O-N 2.61Å; W320-R340 HydrophobicContact CD2-CB 4.2Å; W320-R340 HydrophobicContact CD2-CG 3.93Å; W320-R340 VanDerWaalsContact CE2-CG 3.4Å; W320-R340 HydrophobicContact CG-CB 4.03Å; W320-R340 HydrophobicContact CG-CG 4.29Å; W320-R340 HydrophobicContact CH2-CG 4.4Å; W320-R340 VanDerWaalsContact CZ2-CD 3.46Å; W320-R340 HydrophobicContact CZ2-CG 3.69Å; W320-F347 HydrophobicContact CB-CE1 4.01Å; W320-F347 AromaticContact CD1-CD1 3.64Å; W320-F347 AromaticContact CD1-CE1 3.83Å; W320-F347 HydrophobicContact CG-CD1 4.25Å; W320-F347 AromaticContact CG-CE1 3.97Å; W320-F347 HydrophobicContact CG-CE1 3.97Å; W320-E348 PolarHBondContact NE1-OE1 3.39Å
321L98.9Very high97Very high17 Ų1733.2 Ų33.29%0.08919%0.189CC..EExtended strand (participates in β ladder)trans-92.8123.2170.1179.965.1000108.8I309 G310 Y319 L335 R337I309-L321 HydrophobicContact CD1-CD2 4.09Å; I309-L321 HydrophobicContact CD1-CG 4.14Å; I309-L321 HydrophobicContact CG1-CB 4.44Å; I309-L321 HydrophobicContact CG1-CD2 4.02Å; I309-L321 HydrophobicContact CG1-CG 3.84Å; I309-L321 WeakPolarHBondContact CG1-O 3.39Å; I309-L321 PolarHBondContact N-O 3.06Å; G310-L321 PolarHBondContact N-O 3.15Å; G310-L321 PolarHBondContact O-N 3.18Å; Y319-L321 HydrophobicContact CE2-CB 4.19Å; L321-L335 HydrophobicContact CD1-CD1 4.38Å; L321-R337 HydrophobicContact CD1-CG 3.85Å
322V98.9Very high97Very high0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-131.4130.3-165.4-167.40000110.6V306 R307 W320 L335 F336 I338 F347V306-V322 HydrophobicContact CB-CG1 3.62Å; V306-V322 HydrophobicContact CG1-CG1 4.5Å; V306-V322 HydrophobicContact CG2-CG1 3.48Å; V306-V322 VanDerWaalsContact CG2-CG1 3.48Å; R307-V322 WeakPolarHBondContact O-CA 3.01Å; R307-V322 WeakPolarHBondContact O-CG1 2.76Å; W320-V322 HydrophobicContact CB-CG2 3.96Å; V322-L335 CarbonylContact O-C 3.46Å; V322-L335 VanDerWaalsContact O-CA 3.27Å; V322-L335 WeakPolarHBondContact O-CA 3.15Å; V322-F336 HydrophobicContact CB-CD1 3.96Å; V322-F336 HydrophobicContact CB-CD2 4.26Å; V322-F336 HydrophobicContact CB-CE1 3.6Å; V322-F336 HydrophobicContact CB-CE2 3.93Å; V322-F336 HydrophobicContact CB-CG 4.29Å; V322-F336 HydrophobicContact CB-CZ 3.61Å; V322-F336 HydrophobicContact CG1-CD1 4.21Å; V322-F336 HydrophobicContact CG1-CE1 3.4Å; V322-F336 VanDerWaalsContact CG1-CE1 3.4Å; V322-F336 HydrophobicContact CG1-CE2 4.2Å; V322-F336 HydrophobicContact CG1-CZ 3.41Å; V322-F336 VanDerWaalsContact CG1-CZ 3.41Å; V322-F336 HydrophobicContact CG2-CD2 4.43Å; V322-F336 HydrophobicContact CG2-CE2 3.97Å; V322-F336 HydrophobicContact CG2-CZ 4.03Å; V322-F336 PolarHBondContact N-O 3.34Å; V322-F336 PolarHBondContact O-N 3.15Å; V322-I338 HydrophobicContact CG2-CG2 3.98Å; V322-F347 HydrophobicContact CB-CZ 4.38Å; V322-F347 HydrophobicContact CG1-CE2 4.46Å; V322-F347 HydrophobicContact CG1-CZ 3.98Å; V322-F347 HydrophobicContact CG2-CE1 4.11Å; V322-F347 HydrophobicContact CG2-CE2 4.24Å; V322-F347 HydrophobicContact CG2-CZ 3.46Å; V322-F347 VanDerWaalsContact CG2-CZ 3.46Å
323A98.8Very high96.9Very high3 Ų343.4 Ų43.43%0.02524%0.236CC..EExtended strand (participates in β ladder)trans-88.4121.5167.600000109.7I116 R307 I309 L335I116-A323 HydrophobicContact CD1-CB 3.99Å; R307-A323 HydrophobicContact CB-CB 4.42Å; R307-A323 PolarHBondContact N-O 2.91Å; R307-A323 VanDerWaalsContact N-O 3.12Å; R307-A323 PolarHBondContact O-N 2.96Å; I309-A323 HydrophobicContact CD1-CB 4.39Å; I309-A323 HydrophobicContact CG2-CB 4.33Å; A323-L335 HydrophobicContact CB-CD2 3.79Å
324N98.3Very high96.9Very high6 Ų641.7 Ų41.73%0.03223%0.226CC..  trans-86.1-179.3173.7-153.6-14.1000110.6H304 W326 F330 G334 F336H304-N324 PolarHBondContact NE2-OD1 2.89Å; N324-W326 WeakPolarHBondContact ND2-CZ3 3.45Å; N324-F330 HydrophobicContact CB-CD1 4.08Å; N324-F330 HydrophobicContact CB-CE1 4.27Å; N324-F330 WeakPolarHBondContact ND2-CD1 3.47Å; N324-F330 WeakPolarHBondContact ND2-CE1 3.17Å; N324-G334 WeakPolarHBondContact CB-O 3.37Å; N324-G334 PolarHBondContact N-O 3.38Å; N324-F336 HydrophobicContact CB-CD1 4.07Å; N324-F336 HydrophobicContact CB-CE1 4.08Å
325S97.8Very high97Very high4 Ų440.3 Ų40.33%0.02822%0.22CC..SBendtrans-124.320.2176.947.80000113.7K117 Q119K117-S325 CarbonylContact O-C 3.38Å; K117-S325 WeakPolarHBondContact O-CA 3.01Å; Q119-S325 WeakPolarHBondContact CG-O 3.14Å; Q119-S325 PolarHBondContact N-O 3.28Å; Q119-S325 PolarHBondContact OE1-OG 3.43Å
326W96.2Very high97.3Very high0 Ų032.2 Ų32.20%018%0.184CC..BIsolated β-bridgetrans-100.637.5-178.5-64.2-19.5000112.7Y52 F53 L65 Q119 V281 F285 H304 N324 F330Y52-W326 HydrophobicContact CD1-CB 3.56Å; Y52-W326 HydrophobicContact CD1-CD2 4.4Å; Y52-W326 AromaticContact CD1-CG 3.8Å; Y52-W326 HydrophobicContact CD1-CG 3.8Å; Y52-W326 HydrophobicContact CD2-CB 4.18Å; Y52-W326 WeakPolarHBondContact CD2-O 3.4Å; Y52-W326 HydrophobicContact CE1-CB 3.42Å; Y52-W326 VanDerWaalsContact CE1-CB 3.42Å; Y52-W326 AromaticContact CE1-CD1 3.32Å; Y52-W326 HydrophobicContact CE1-CD2 4.1Å; Y52-W326 AromaticContact CE1-CG 3.32Å; Y52-W326 HydrophobicContact CE1-CG 3.32Å; Y52-W326 HydrophobicContact CE2-CB 4.1Å; Y52-W326 HydrophobicContact CG-CB 3.92Å; Y52-W326 AromaticContact CZ-CD1 3.58Å; Y52-W326 AromaticContact CZ-CG 3.83Å; F53-W326 HydrophobicContact CE1-CD2 4.4Å; F53-W326 HydrophobicContact CE1-CE3 4.45Å; F53-W326 HydrophobicContact CE2-CD2 4.42Å; F53-W326 AromaticContact CE2-CE3 3.77Å; F53-W326 HydrophobicContact CE2-CE3 3.77Å; F53-W326 AromaticContact CE2-CZ3 3.93Å; F53-W326 HydrophobicContact CE2-CZ3 3.93Å; F53-W326 AromaticContact CZ-CD2 3.63Å; F53-W326 HydrophobicContact CZ-CD2 3.63Å; F53-W326 AromaticContact CZ-CE3 3.32Å; F53-W326 HydrophobicContact CZ-CE3 3.32Å; F53-W326 HydrophobicContact CZ-CG 4.38Å; F53-W326 AromaticContact CZ-CH2 3.86Å; F53-W326 HydrophobicContact CZ-CH2 3.86Å; F53-W326 HydrophobicContact CZ-CZ2 4.13Å; F53-W326 AromaticContact CZ-CZ3 3.46Å; F53-W326 HydrophobicContact CZ-CZ3 3.46Å; F53-W326 VanDerWaalsContact CZ-CZ3 3.46Å; L65-W326 HydrophobicContact CD2-CH2 4.34Å; L65-W326 HydrophobicContact CD2-CZ2 3.75Å; Q119-W326 VanDerWaalsContact OE1-CD1 3.32Å; V281-W326 HydrophobicContact CG1-CH2 4.41Å; V281-W326 HydrophobicContact CG2-CH2 4.27Å; F285-W326 AromaticContact CD1-CH2 3.76Å; F285-W326 HydrophobicContact CD1-CH2 3.76Å; F285-W326 AromaticContact CD1-CZ3 3.71Å; F285-W326 HydrophobicContact CD1-CZ3 3.71Å; F285-W326 HydrophobicContact CE1-CE3 4.47Å; F285-W326 AromaticContact CE1-CH2 3.61Å; F285-W326 HydrophobicContact CE1-CH2 3.61Å; F285-W326 AromaticContact CE1-CZ3 3.39Å; F285-W326 HydrophobicContact CE1-CZ3 3.39Å; F285-W326 HydrophobicContact CZ-CZ3 4.46Å; H304-W326 AromaticContact CD2-CH2 3.98Å; H304-W326 AromaticContact CD2-CZ2 3.5Å; H304-W326 VanDerWaalsContact CD2-CZ2 3.5Å; H304-W326 WeakPolarHBondContact CD2-CZ2 2.95Å; H304-W326 AromaticContact CE1-CE2 3.8Å; H304-W326 AromaticContact CE1-CZ2 3.89Å; H304-W326 AromaticContact CE1-NE1 3.49Å; H304-W326 PolarHBondContact CE1-NE1 3.31Å; H304-W326 AromaticContact CG-CZ2 3.96Å; H304-W326 AromaticContact NE2-CE2 3.47Å; H304-W326 AromaticContact NE2-CZ2 3.47Å; H304-W326 WeakPolarHBondContact NE2-CZ2 3.4Å; H304-W326 AromaticContact NE2-NE1 3.58Å; N324-W326 WeakPolarHBondContact ND2-CZ3 3.45Å; W326-F330 HydrophobicContact CB-CB 4.09Å; W326-F330 HydrophobicContact CB-CG 4.31Å; W326-F330 HydrophobicContact CE3-CD1 4.3Å; W326-F330 AromaticContact CE3-CD2 3.6Å; W326-F330 HydrophobicContact CE3-CD2 3.6Å; W326-F330 HydrophobicContact CE3-CE1 4.23Å; W326-F330 AromaticContact CE3-CE2 3.51Å; W326-F330 HydrophobicContact CE3-CE2 3.51Å; W326-F330 HydrophobicContact CE3-CG 4Å; W326-F330 AromaticContact CE3-CZ 3.83Å; W326-F330 HydrophobicContact CE3-CZ 3.83Å; W326-F330 HydrophobicContact CZ3-CD2 4.19Å; W326-F330 HydrophobicContact CZ3-CE1 4.49Å; W326-F330 AromaticContact CZ3-CE2 3.6Å; W326-F330 HydrophobicContact CZ3-CE2 3.6Å; W326-F330 AromaticContact CZ3-CZ 3.77Å; W326-F330 HydrophobicContact CZ3-CZ 3.77Å
327N94Very high97.5Very high20 Ų2030.2 Ų30.211%0.10716%0.155CC..  trans57.2177.8-172.982.430.3000115Y52 D118 C203 T329 G334Y52-N327 WeakPolarHBondContact CD2-ND2 3.28Å; D118-N327 HydrophobicContact CB-CB 4.38Å; C203-N327 PolarHBondContact O-ND2 2.97Å; N327-T329 VanDerWaalsContact C-N 3.29Å; N327-T329 PolarHBondContact O-N 3.45Å; N327-T329 WeakPolarHBondContact OD1-CA 3.2Å; N327-T329 VanDerWaalsContact OD1-CB 3.28Å; N327-T329 WeakPolarHBondContact OD1-CB 3.31Å; N327-T329 WeakPolarHBondContact OD1-CG2 3.17Å; N327-T329 PolarHBondContact OD1-N 3.5Å; N327-T329 PolarHBondContact OD1-OG1 3.28Å; N327-G334 VanDerWaalsContact O-CA 3.32Å; N327-G334 WeakPolarHBondContact O-CA 3.3Å
328E95.2Very high97.6Very high120 Ų12028.9 Ų28.956%0.56115%0.148SC*.THydrogen-bonded Turntrans-78.8-8.6-174.4-64.8177.5170.600113.5I116 F330 E333 G334I116-E328 HydrophobicContact CB-CG 3.91Å; I116-E328 HydrophobicContact CG1-CG 4.11Å; I116-E328 HydrophobicContact CG2-CG 4.25Å; E328-F330 VanDerWaalsContact C-N 3.26Å; E328-F330 PolarHBondContact O-N 3.11Å; E328-E333 CarbonylContact O-C 3.42Å; E328-E333 VanDerWaalsContact O-CA 3.32Å; E328-E333 WeakPolarHBondContact O-CA 3.48Å; E328-G334 PolarHBondContact O-N 3.33Å
329T94.1Very high97.6Very high62 Ų6230.5 Ų30.538%0.3815%0.149SC..THydrogen-bonded Turntrans-76.7-15.5175.573.20000113.1N327N327-T329 VanDerWaalsContact C-N 3.29Å; N327-T329 PolarHBondContact O-N 3.45Å; N327-T329 WeakPolarHBondContact OD1-CA 3.2Å; N327-T329 VanDerWaalsContact OD1-CB 3.28Å; N327-T329 WeakPolarHBondContact OD1-CB 3.31Å; N327-T329 WeakPolarHBondContact OD1-CG2 3.17Å; N327-T329 PolarHBondContact OD1-N 3.5Å; N327-T329 PolarHBondContact OD1-OG1 3.28Å
330F96Very high97.5Very high0 Ų030.5 Ų30.50%015%0.149CC..SBendtrans-81.9131.1177.1176.5-94.5000111.3N50 F53 F285 Y288 N324 W326 E328 E332 G334 F336N50-F330 HydrophobicContact CB-CD2 4.23Å; N50-F330 WeakPolarHBondContact OD1-CA 3.32Å; F53-F330 HydrophobicContact CE2-CD2 4.04Å; F53-F330 HydrophobicContact CE2-CE2 4.15Å; F285-F330 HydrophobicContact CD1-CZ 4.47Å; F285-F330 AromaticContact CE1-CZ 3.83Å; F285-F330 HydrophobicContact CE1-CZ 3.83Å; F285-F330 HydrophobicContact CE2-CZ 4.23Å; F285-F330 HydrophobicContact CZ-CE1 4.16Å; F285-F330 AromaticContact CZ-CZ 3.7Å; F285-F330 HydrophobicContact CZ-CZ 3.7Å; Y288-F330 HydrophobicContact CD1-CE1 4.18Å; Y288-F330 HydrophobicContact CD1-CZ 4.15Å; Y288-F330 HydrophobicContact CG-CZ 4.47Å; N324-F330 HydrophobicContact CB-CD1 4.08Å; N324-F330 HydrophobicContact CB-CE1 4.27Å; N324-F330 WeakPolarHBondContact ND2-CD1 3.47Å; N324-F330 WeakPolarHBondContact ND2-CE1 3.17Å; W326-F330 HydrophobicContact CB-CB 4.09Å; W326-F330 HydrophobicContact CB-CG 4.31Å; W326-F330 HydrophobicContact CE3-CD1 4.3Å; W326-F330 AromaticContact CE3-CD2 3.6Å; W326-F330 HydrophobicContact CE3-CD2 3.6Å; W326-F330 HydrophobicContact CE3-CE1 4.23Å; W326-F330 AromaticContact CE3-CE2 3.51Å; W326-F330 HydrophobicContact CE3-CE2 3.51Å; W326-F330 HydrophobicContact CE3-CG 4Å; W326-F330 AromaticContact CE3-CZ 3.83Å; W326-F330 HydrophobicContact CE3-CZ 3.83Å; W326-F330 HydrophobicContact CZ3-CD2 4.19Å; W326-F330 HydrophobicContact CZ3-CE1 4.49Å; W326-F330 AromaticContact CZ3-CE2 3.6Å; W326-F330 HydrophobicContact CZ3-CE2 3.6Å; W326-F330 AromaticContact CZ3-CZ 3.77Å; W326-F330 HydrophobicContact CZ3-CZ 3.77Å; E328-F330 VanDerWaalsContact C-N 3.26Å; E328-F330 PolarHBondContact O-N 3.11Å; F330-E332 PolarHBondContact O-N 3.17Å; F330-G334 WeakPolarHBondContact O-CA 3.5Å; F330-G334 PolarHBondContact O-N 3.42Å; F330-F336 HydrophobicContact CE1-CB 4.17Å; F330-F336 HydrophobicContact CE1-CD1 4.1Å; F330-F336 HydrophobicContact CE1-CG 4.43Å
331G97.7Very high97.3Very high21 Ų2132 Ų3222%0.21617%0.165CC..THydrogen-bonded Turntrans59.6-131.3169.600000113.8N50 G289 E333N50-G331 PolarHBondContact OD1-N 3.38Å; N50-G331 VanDerWaalsContact OD1-N 3.14Å; G289-G331 CarbonylContact O-C 3.58Å; G289-G331 VanDerWaalsContact O-CA 3.3Å; G289-G331 WeakPolarHBondContact O-CA 3.42Å; G331-E333 PolarHBondContact O-N 2.82Å
332E98.2Very high96.9Very high56 Ų5633.8 Ų33.826%0.26217%0.174SC..BIsolated β-bridgetrans-95.374.1-178.5-64.6173118.300109.6Y288 K290 F330 L335 R337Y288-E332 HydrophobicContact CE1-CG 4.47Å; Y288-E332 PolarHBondContact OH-OE2 3.01Å; K290-E332 HydrophobicContact CB-CG 3.69Å; F330-E332 PolarHBondContact O-N 3.17Å; E332-L335 HydrophobicContact CB-CB 4.4Å; E332-L335 PolarHBondContact N-O 3.33Å; E332-L335 VanDerWaalsContact O-CB 3.25Å; E332-L335 WeakPolarHBondContact O-CB 3.45Å; E332-L335 PolarHBondContact O-N 3.26Å; E332-L335 VanDerWaalsContact O-N 3.12Å; E332-R337 IonicContact OE1-CZ 3.18Å; E332-R337 IonicContact OE1-NE 3.5Å; E332-R337 IonicContact OE1-NH2 2.76Å; E332-R337 PolarHBondContact OE1-NH2 3.44Å; E332-R337 IonicContact OE2-CZ 2.95Å; E332-R337 IonicContact OE2-NE 3.87Å; E332-R337 PolarHBondContact OE2-NE 3.49Å; E332-R337 IonicContact OE2-NH2 3.3Å
333E97.2Very high96.6Very high161 Ų16135 Ų3575%0.75218%0.181SC*.THydrogen-bonded Turntrans59.446.3-178.2-59.6174-11200112.6E328 G331 L335E328-E333 CarbonylContact O-C 3.42Å; E328-E333 VanDerWaalsContact O-CA 3.32Å; E328-E333 WeakPolarHBondContact O-CA 3.48Å; G331-E333 PolarHBondContact O-N 2.82Å; E333-L335 VanDerWaalsContact C-N 3.25Å; E333-L335 PolarHBondContact O-N 3.4Å
334G97.7Very high96.5Very high0 Ų036 Ų360%019%0.185CC..THydrogen-bonded Turntrans82.2-0.6-176.100000114.3N324 N327 E328 F330N324-G334 WeakPolarHBondContact CB-O 3.37Å; N324-G334 PolarHBondContact N-O 3.38Å; N327-G334 VanDerWaalsContact O-CA 3.32Å; N327-G334 WeakPolarHBondContact O-CA 3.3Å; E328-G334 PolarHBondContact O-N 3.33Å; F330-G334 WeakPolarHBondContact O-CA 3.5Å; F330-G334 PolarHBondContact O-N 3.42Å
335L98.8Very high96.3Very high19 Ų1936.3 Ų36.310%0.09919%0.187CC..EExtended strand (participates in β ladder)trans-100.1157.5174.7-52177.2000111.7I116 I309 L321 V322 A323 E332 E333I116-L335 HydrophobicContact CD1-CD2 3.64Å; I116-L335 HydrophobicContact CD1-CG 4.43Å; I309-L335 HydrophobicContact CD1-CD2 3.91Å; L321-L335 HydrophobicContact CD1-CD1 4.38Å; V322-L335 CarbonylContact O-C 3.46Å; V322-L335 VanDerWaalsContact O-CA 3.27Å; V322-L335 WeakPolarHBondContact O-CA 3.15Å; A323-L335 HydrophobicContact CB-CD2 3.79Å; E332-L335 HydrophobicContact CB-CB 4.4Å; E332-L335 PolarHBondContact N-O 3.33Å; E332-L335 VanDerWaalsContact O-CB 3.25Å; E332-L335 WeakPolarHBondContact O-CB 3.45Å; E332-L335 PolarHBondContact O-N 3.26Å; E332-L335 VanDerWaalsContact O-N 3.12Å; E333-L335 VanDerWaalsContact C-N 3.25Å; E333-L335 PolarHBondContact O-N 3.4Å
336F98.9Very high96Very high0 Ų036.9 Ų36.90%019%0.194CC..EExtended strand (participates in β ladder)trans-143.2165.2163.168.5-81.8000110.5F279 F285 Y288 V306 V322 N324 F330 I338 F347F279-F336 HydrophobicContact CE1-CZ 4.34Å; F279-F336 HydrophobicContact CZ-CZ 4.17Å; F285-F336 AromaticContact CE2-CD2 3.66Å; F285-F336 HydrophobicContact CE2-CD2 3.66Å; F285-F336 AromaticContact CE2-CE2 3.86Å; F285-F336 HydrophobicContact CE2-CE2 3.86Å; F285-F336 HydrophobicContact CE2-CG 4.01Å; F285-F336 HydrophobicContact CE2-CZ 4.35Å; F285-F336 AromaticContact CZ-CD1 3.93Å; F285-F336 HydrophobicContact CZ-CD1 3.93Å; F285-F336 AromaticContact CZ-CD2 3.79Å; F285-F336 HydrophobicContact CZ-CD2 3.79Å; F285-F336 AromaticContact CZ-CE1 3.88Å; F285-F336 HydrophobicContact CZ-CE1 3.88Å; F285-F336 AromaticContact CZ-CE2 3.75Å; F285-F336 HydrophobicContact CZ-CE2 3.75Å; F285-F336 AromaticContact CZ-CG 3.86Å; F285-F336 HydrophobicContact CZ-CG 3.86Å; F285-F336 AromaticContact CZ-CZ 3.77Å; F285-F336 HydrophobicContact CZ-CZ 3.77Å; Y288-F336 HydrophobicContact CD1-CB 3.69Å; Y288-F336 HydrophobicContact CE1-CB 3.32Å; Y288-F336 HydrophobicContact CE2-CB 4.24Å; Y288-F336 HydrophobicContact CG-CB 4.31Å; V306-F336 HydrophobicContact CB-CE1 4.44Å; V306-F336 HydrophobicContact CB-CZ 4.49Å; V306-F336 HydrophobicContact CG1-CE1 4.1Å; V306-F336 HydrophobicContact CG1-CZ 4.3Å; V306-F336 HydrophobicContact CG2-CZ 4.15Å; V322-F336 HydrophobicContact CB-CD1 3.96Å; V322-F336 HydrophobicContact CB-CD2 4.26Å; V322-F336 HydrophobicContact CB-CE1 3.6Å; V322-F336 HydrophobicContact CB-CE2 3.93Å; V322-F336 HydrophobicContact CB-CG 4.29Å; V322-F336 HydrophobicContact CB-CZ 3.61Å; V322-F336 HydrophobicContact CG1-CD1 4.21Å; V322-F336 HydrophobicContact CG1-CE1 3.4Å; V322-F336 VanDerWaalsContact CG1-CE1 3.4Å; V322-F336 HydrophobicContact CG1-CE2 4.2Å; V322-F336 HydrophobicContact CG1-CZ 3.41Å; V322-F336 VanDerWaalsContact CG1-CZ 3.41Å; V322-F336 HydrophobicContact CG2-CD2 4.43Å; V322-F336 HydrophobicContact CG2-CE2 3.97Å; V322-F336 HydrophobicContact CG2-CZ 4.03Å; V322-F336 PolarHBondContact N-O 3.34Å; V322-F336 PolarHBondContact O-N 3.15Å; N324-F336 HydrophobicContact CB-CD1 4.07Å; N324-F336 HydrophobicContact CB-CE1 4.08Å; F330-F336 HydrophobicContact CE1-CB 4.17Å; F330-F336 HydrophobicContact CE1-CD1 4.1Å; F330-F336 HydrophobicContact CE1-CG 4.43Å; F336-I338 HydrophobicContact CD2-CB 4.16Å; F336-I338 HydrophobicContact CD2-CG2 4.45Å; F336-I338 HydrophobicContact CE2-CB 3.94Å; F336-I338 HydrophobicContact CE2-CG2 3.92Å; F336-F347 HydrophobicContact CE2-CE2 4.23Å; F336-F347 HydrophobicContact CZ-CE2 4.1Å
337R98.8Very high95.8Very high27 Ų2736.9 Ų36.910%0.10219%0.194CC..EExtended strand (participates in β ladder)trans-120.6133.7173.3-62.6172-74.4156.2-1.1108.5Y288 G291 Y293 E314 Y319 W320 L321 E332Y288-R337 PolarHBondContact OH-N 3.4Å; Y288-R337 VanDerWaalsContact OH-N 3.14Å; G291-R337 WeakPolarHBondContact O-CB 3.3Å; Y293-R337 VanDerWaalsContact CB-O 3.27Å; Y293-R337 WeakPolarHBondContact CB-O 3.17Å; Y293-R337 PolarHBondContact N-O 3.13Å; E314-R337 IonicContact OE2-CZ 3.98Å; E314-R337 VanDerWaalsContact OE2-CZ 3.25Å; E314-R337 IonicContact OE2-NH1 3.84Å; E314-R337 PolarHBondContact OE2-NH1 2.87Å; E314-R337 IonicContact OE2-NH2 3.71Å; E314-R337 PolarHBondContact OE2-NH2 2.88Å; Y319-R337 HydrophobicContact CD2-CB 3.77Å; Y319-R337 HydrophobicContact CD2-CG 3.65Å; Y319-R337 HydrophobicContact CE2-CB 4.4Å; Y319-R337 HydrophobicContact CE2-CG 3.81Å; Y319-R337 HydrophobicContact CG-CB 3.97Å; Y319-R337 HydrophobicContact CG-CG 4.27Å; W320-R337 VanDerWaalsContact O-CA 3.25Å; W320-R337 WeakPolarHBondContact O-CA 3.45Å; L321-R337 HydrophobicContact CD1-CG 3.85Å; E332-R337 IonicContact OE1-CZ 3.18Å; E332-R337 IonicContact OE1-NE 3.5Å; E332-R337 IonicContact OE1-NH2 2.76Å; E332-R337 PolarHBondContact OE1-NH2 3.44Å; E332-R337 IonicContact OE2-CZ 2.95Å; E332-R337 IonicContact OE2-NE 3.87Å; E332-R337 PolarHBondContact OE2-NE 3.49Å; E332-R337 IonicContact OE2-NH2 3.3Å
338I98.6Very high95.7Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-127.8143.1-179-176.3165.9000109.2F279 Y293 Y319 W320 V322 F336 R340 E344 F347F279-I338 HydrophobicContact CD2-CD1 4.47Å; Y293-I338 HydrophobicContact CD1-CD1 3.91Å; Y293-I338 HydrophobicContact CD1-CG1 4Å; Y293-I338 HydrophobicContact CE1-CD1 4.39Å; Y319-I338 CarbonylContact C-O 3.49Å; Y319-I338 WeakPolarHBondContact CA-O 3.49Å; Y319-I338 WeakPolarHBondContact CB-O 3.29Å; W320-I338 HydrophobicContact CB-CG2 3.95Å; W320-I338 PolarHBondContact N-O 2.93Å; W320-I338 PolarHBondContact O-N 2.61Å; V322-I338 HydrophobicContact CG2-CG2 3.98Å; F336-I338 HydrophobicContact CD2-CB 4.16Å; F336-I338 HydrophobicContact CD2-CG2 4.45Å; F336-I338 HydrophobicContact CE2-CB 3.94Å; F336-I338 HydrophobicContact CE2-CG2 3.92Å; I338-R340 PolarHBondContact O-N 2.6Å; I338-E344 HydrophobicContact CD1-CB 4.22Å; I338-E344 HydrophobicContact CD1-CG 3.99Å; I338-E344 HydrophobicContact CG1-CB 3.98Å; I338-E344 HydrophobicContact CG1-CG 3.78Å; I338-F347 HydrophobicContact CD1-CB 4.2Å; I338-F347 HydrophobicContact CD1-CD2 3.76Å; I338-F347 HydrophobicContact CD1-CE2 4.45Å; I338-F347 HydrophobicContact CD1-CG 4.13Å; I338-F347 HydrophobicContact CG2-CD1 4.02Å; I338-F347 HydrophobicContact CG2-CD2 3.93Å; I338-F347 HydrophobicContact CG2-CE1 3.92Å; I338-F347 HydrophobicContact CG2-CE2 3.85Å; I338-F347 HydrophobicContact CG2-CG 4.05Å; I338-F347 HydrophobicContact CG2-CZ 3.86Å
339R97.9Very high95.2Very high97 Ų9732.6 Ų32.637%0.36618%0.175SC..EExtended strand (participates in β ladder)trans-55.1132.9-177.7-173174.6172.3-173.9-2.5111.4V292 Y293 Q294 V317 D318 N342 E344V292-R339 HydrophobicContact CG1-CB 4.18Å; Y293-R339 PolarHBondContact O-N 2.79Å; Y293-R339 VanDerWaalsContact O-N 3.1Å; Q294-R339 HydrophobicContact CG-CB 3.81Å; Q294-R339 HydrophobicContact CG-CG 4.43Å; V317-R339 HydrophobicContact CG1-CG 4.18Å; D318-R339 WeakPolarHBondContact O-CA 3.49Å; R339-N342 WeakPolarHBondContact CD-ND2 3.35Å; R339-N342 VanDerWaalsContact CG-OD1 3.3Å; R339-N342 WeakPolarHBondContact CG-OD1 3.09Å; R339-E344 HydrophobicContact CB-CB 4.11Å; R339-E344 HydrophobicContact CB-CG 4.22Å; R339-E344 WeakPolarHBondContact O-CB 3.33Å
340R97Very high94.9Very high27 Ų2730.1 Ų30.110%0.10216%0.158CC..THydrogen-bonded Turntrans-104.3149.3-179172.3172.465.265.44.2110.4T262 D318 W320 I338 N342T262-R340 HydrophobicContact CG2-CG 3.57Å; D318-R340 HydrophobicContact CB-CB 4.3Å; D318-R340 PolarHBondContact O-N 2.72Å; D318-R340 IonicContact OD1-NH2 3.89Å; D318-R340 IonicContact OD2-CZ 3.68Å; D318-R340 VanDerWaalsContact OD2-CZ 3.3Å; D318-R340 IonicContact OD2-NH1 3.28Å; D318-R340 PolarHBondContact OD2-NH1 2.99Å; D318-R340 IonicContact OD2-NH2 3.32Å; D318-R340 PolarHBondContact OD2-NH2 3.18Å; W320-R340 HydrophobicContact CD2-CB 4.2Å; W320-R340 HydrophobicContact CD2-CG 3.93Å; W320-R340 VanDerWaalsContact CE2-CG 3.4Å; W320-R340 HydrophobicContact CG-CB 4.03Å; W320-R340 HydrophobicContact CG-CG 4.29Å; W320-R340 HydrophobicContact CH2-CG 4.4Å; W320-R340 VanDerWaalsContact CZ2-CD 3.46Å; W320-R340 HydrophobicContact CZ2-CG 3.69Å; I338-R340 PolarHBondContact O-N 2.6Å; R340-N342 VanDerWaalsContact C-N 3.34Å; R340-N342 PolarHBondContact O-N 3.45Å
341G93.8Very high94.7Very high33 Ų3330.4 Ų30.434%0.3416%0.16SC..THydrogen-bonded Turntrans85.3017100000115.5F256 E348F256-G341 WeakPolarHBondContact CZ-O 3.08Å; G341-E348 PolarHBondContact N-OE1 3.08Å; G341-E348 PolarHBondContact N-OE2 3.26Å
342N91.8Very high94.3Very high53 Ų5329.5 Ų29.528%0.28315%0.15SC..THydrogen-bonded Turntrans-122.29.2175.274.2-43.2000112.7R339 R340 E344R339-N342 WeakPolarHBondContact CD-ND2 3.35Å; R339-N342 VanDerWaalsContact CG-OD1 3.3Å; R339-N342 WeakPolarHBondContact CG-OD1 3.09Å; R340-N342 VanDerWaalsContact C-N 3.34Å; R340-N342 PolarHBondContact O-N 3.45Å; N342-E344 VanDerWaalsContact C-N 3.26Å; N342-E344 PolarHBondContact ND2-OE2 3.01Å; N342-E344 PolarHBondContact O-N 2.98Å; N342-E344 PolarHBondContact OD1-N 2.78Å
343N92.3Very high93.9Very high27 Ų2727.2 Ų27.214%0.14414%0.141CC..THydrogen-bonded Turntrans51.442.9-173.3-166.333.8000113.7F256 C345 G346 F347 E348 D349F256-N343 HydrophobicContact CB-CB 3.91Å; F256-N343 HydrophobicContact CD1-CB 4.11Å; F256-N343 HydrophobicContact CD2-CB 3.69Å; F256-N343 HydrophobicContact CE2-CB 4.21Å; F256-N343 HydrophobicContact CG-CB 3.64Å; N343-C345 PolarHBondContact O-N 3.25Å; N343-G346 PolarHBondContact O-N 3.33Å; N343-G346 VanDerWaalsContact OD1-CA 3.24Å; N343-G346 WeakPolarHBondContact OD1-CA 3.35Å; N343-F347 PolarHBondContact OD1-N 3.48Å; N343-E348 WeakPolarHBondContact CA-OE2 3.41Å; N343-E348 HydrophobicContact CB-CB 4.39Å; N343-E348 PolarHBondContact N-OE2 3.37Å; N343-E348 WeakPolarHBondContact OD1-CA 3.27Å; N343-E348 WeakPolarHBondContact OD1-CB 3.32Å; N343-E348 PolarHBondContact OD1-N 3.24Å; N343-D349 PolarHBondContact ND2-OD1 3.41Å; N343-D349 PolarHBondContact ND2-OD2 3.45Å; N343-D349 PolarHBondContact OD1-N 3.36Å
344E95.2Very high93.6Very high22 Ų2219.6 Ų19.610%0.10311%0.106CC..G310 helixtrans-49.3123.6178.1-171.761.5-153.200110.7Q294 H295 I338 R339 N342 G346 F347Q294-E344 WeakPolarHBondContact CA-OE1 3.47Å; H295-E344 PolarHBondContact N-OE1 3.14Å; I338-E344 HydrophobicContact CD1-CB 4.22Å; I338-E344 HydrophobicContact CD1-CG 3.99Å; I338-E344 HydrophobicContact CG1-CB 3.98Å; I338-E344 HydrophobicContact CG1-CG 3.78Å; R339-E344 HydrophobicContact CB-CB 4.11Å; R339-E344 HydrophobicContact CB-CG 4.22Å; R339-E344 WeakPolarHBondContact O-CB 3.33Å; N342-E344 VanDerWaalsContact C-N 3.26Å; N342-E344 PolarHBondContact ND2-OE2 3.01Å; N342-E344 PolarHBondContact O-N 2.98Å; N342-E344 PolarHBondContact OD1-N 2.78Å; E344-G346 PolarHBondContact O-N 3.15Å; E344-G346 VanDerWaalsContact O-N 3.09Å; E344-F347 WeakPolarHBondContact O-CB 3.46Å; E344-F347 PolarHBondContact O-N 3.25Å
345C94.8Very high93.2Very high13 Ų1324 Ų249%0.08813%0.125CC..G310 helixtrans54.525-177.7-56.60000115.7F279 V280 Y282 N343 F347F279-C345 HydrophobicContact CD2-CB 4.15Å; V280-C345 PolarHBondContact N-O 3.19Å; V280-C345 WeakPolarHBondContact O-CB 3.46Å; Y282-C345 HydrophobicContact CD2-CB 4.44Å; Y282-C345 HydrophobicContact CE2-CB 4.1Å; N343-C345 PolarHBondContact O-N 3.25Å; C345-F347 PolarHBondContact O-N 3.44Å
346G91.6Very high93Very high17 Ų1723.9 Ų23.918%0.17513%0.125CC..G310 helixtrans71.816-176.100000113.9N343 E344 E348 D349N343-G346 PolarHBondContact O-N 3.33Å; N343-G346 VanDerWaalsContact OD1-CA 3.24Å; N343-G346 WeakPolarHBondContact OD1-CA 3.35Å; E344-G346 PolarHBondContact O-N 3.15Å; E344-G346 VanDerWaalsContact O-N 3.09Å; G346-E348 PolarHBondContact O-N 3.47Å; G346-E348 VanDerWaalsContact O-N 3.13Å; G346-D349 WeakPolarHBondContact CA-OD2 3.49Å; G346-D349 WeakPolarHBondContact O-CB 3.46Å; G346-D349 PolarHBondContact O-N 3.5Å; G346-D349 VanDerWaalsContact O-N 3.12Å
347F92.4Very high92.7Very high0 Ų030.8 Ų30.80%015%0.151CC..THydrogen-bonded Turntrans-62.7-20.1-172.1-164-89.3000114.3A277 F279 V306 I308 W320 V322 F336 I338 N343 E344 C345A277-F347 HydrophobicContact CB-CD1 4.23Å; A277-F347 HydrophobicContact CB-CE1 3.78Å; A277-F347 HydrophobicContact CB-CE2 4.14Å; A277-F347 HydrophobicContact CB-CZ 3.7Å; F279-F347 HydrophobicContact CB-CB 4.08Å; F279-F347 HydrophobicContact CB-CD2 3.53Å; F279-F347 HydrophobicContact CB-CE2 4.38Å; F279-F347 HydrophobicContact CB-CG 4.22Å; F279-F347 AromaticContact CD1-CD2 3.96Å; F279-F347 HydrophobicContact CD1-CD2 3.96Å; F279-F347 AromaticContact CD1-CE2 3.99Å; F279-F347 HydrophobicContact CD1-CE2 3.99Å; F279-F347 HydrophobicContact CD2-CD2 4.15Å; F279-F347 HydrophobicContact CE1-CE2 4.45Å; F279-F347 AromaticContact CG-CD2 3.63Å; F279-F347 HydrophobicContact CG-CD2 3.63Å; F279-F347 HydrophobicContact CG-CE2 4.13Å; V306-F347 HydrophobicContact CG2-CE2 3.62Å; V306-F347 HydrophobicContact CG2-CZ 3.86Å; I308-F347 HydrophobicContact CD1-CE1 3.77Å; I308-F347 HydrophobicContact CD1-CZ 4.49Å; I308-F347 HydrophobicContact CG1-CE1 3.86Å; I308-F347 HydrophobicContact CG1-CZ 4.12Å; W320-F347 HydrophobicContact CB-CE1 4.01Å; W320-F347 AromaticContact CD1-CD1 3.64Å; W320-F347 AromaticContact CD1-CE1 3.83Å; W320-F347 HydrophobicContact CG-CD1 4.25Å; W320-F347 AromaticContact CG-CE1 3.97Å; W320-F347 HydrophobicContact CG-CE1 3.97Å; V322-F347 HydrophobicContact CB-CZ 4.38Å; V322-F347 HydrophobicContact CG1-CE2 4.46Å; V322-F347 HydrophobicContact CG1-CZ 3.98Å; V322-F347 HydrophobicContact CG2-CE1 4.11Å; V322-F347 HydrophobicContact CG2-CE2 4.24Å; V322-F347 HydrophobicContact CG2-CZ 3.46Å; V322-F347 VanDerWaalsContact CG2-CZ 3.46Å; F336-F347 HydrophobicContact CE2-CE2 4.23Å; F336-F347 HydrophobicContact CZ-CE2 4.1Å; I338-F347 HydrophobicContact CD1-CB 4.2Å; I338-F347 HydrophobicContact CD1-CD2 3.76Å; I338-F347 HydrophobicContact CD1-CE2 4.45Å; I338-F347 HydrophobicContact CD1-CG 4.13Å; I338-F347 HydrophobicContact CG2-CD1 4.02Å; I338-F347 HydrophobicContact CG2-CD2 3.93Å; I338-F347 HydrophobicContact CG2-CE1 3.92Å; I338-F347 HydrophobicContact CG2-CE2 3.85Å; I338-F347 HydrophobicContact CG2-CG 4.05Å; I338-F347 HydrophobicContact CG2-CZ 3.86Å; N343-F347 PolarHBondContact OD1-N 3.48Å; E344-F347 WeakPolarHBondContact O-CB 3.46Å; E344-F347 PolarHBondContact O-N 3.25Å; C345-F347 PolarHBondContact O-N 3.44Å
348E90.9Very high92.1Very high14 Ų1432.8 Ų32.87%0.06516%0.164CC..THydrogen-bonded Turntrans-105.4-1.9-178.8-59.5177145.400112.4F256 T262 I265 W320 G341 N343 G346F256-E348 HydrophobicContact CD2-CB 4.16Å; F256-E348 HydrophobicContact CE2-CB 4.48Å; F256-E348 WeakPolarHBondContact CE2-OE2 3.31Å; T262-E348 PolarHBondContact OG1-OE1 2.9Å; T262-E348 PolarHBondContact OG1-OE2 2.88Å; I265-E348 HydrophobicContact CD1-CB 4Å; I265-E348 HydrophobicContact CD1-CG 4.2Å; W320-E348 PolarHBondContact NE1-OE1 3.39Å; G341-E348 PolarHBondContact N-OE1 3.08Å; G341-E348 PolarHBondContact N-OE2 3.26Å; N343-E348 WeakPolarHBondContact CA-OE2 3.41Å; N343-E348 HydrophobicContact CB-CB 4.39Å; N343-E348 PolarHBondContact N-OE2 3.37Å; N343-E348 WeakPolarHBondContact OD1-CA 3.27Å; N343-E348 WeakPolarHBondContact OD1-CB 3.32Å; N343-E348 PolarHBondContact OD1-N 3.24Å; G346-E348 PolarHBondContact O-N 3.47Å; G346-E348 VanDerWaalsContact O-N 3.13Å
349D85.8Confident91Very high36 Ų3639.1 Ų39.119%0.19320%0.197CC..THydrogen-bonded Turntrans-80.7-28.8178.9-69.8-31000112.9V254 F256 N343 G346V254-D349 WeakPolarHBondContact O-CB 3.21Å; V254-D349 VanDerWaalsContact O-OD1 3.07Å; F256-D349 PolarHBondContact N-OD1 3.14Å; N343-D349 PolarHBondContact ND2-OD1 3.41Å; N343-D349 PolarHBondContact ND2-OD2 3.45Å; N343-D349 PolarHBondContact OD1-N 3.36Å; G346-D349 WeakPolarHBondContact CA-OD2 3.49Å; G346-D349 WeakPolarHBondContact O-CB 3.46Å; G346-D349 PolarHBondContact O-N 3.5Å; G346-D349 VanDerWaalsContact O-N 3.12Å
350Y88.2Confident89.1Confident9 Ų943.5 Ų43.54%0.03524%0.242CC..EExtended strand (participates in β ladder)trans-127104.9-179-172.1-76.9000110F67 N170 P171 I172 G251 A277 G278 V352F67-Y350 HydrophobicContact CE1-CG 4.45Å; F67-Y350 AromaticContact CE2-CD1 3.9Å; F67-Y350 HydrophobicContact CE2-CD1 3.9Å; F67-Y350 AromaticContact CE2-CD2 3.93Å; F67-Y350 HydrophobicContact CE2-CD2 3.93Å; F67-Y350 AromaticContact CE2-CE1 3.69Å; F67-Y350 HydrophobicContact CE2-CE1 3.69Å; F67-Y350 AromaticContact CE2-CE2 3.65Å; F67-Y350 HydrophobicContact CE2-CE2 3.65Å; F67-Y350 HydrophobicContact CE2-CG 4.03Å; F67-Y350 AromaticContact CE2-CZ 3.56Å; F67-Y350 AromaticContact CZ-CD1 3.76Å; F67-Y350 HydrophobicContact CZ-CD1 3.76Å; F67-Y350 AromaticContact CZ-CD2 3.51Å; F67-Y350 HydrophobicContact CZ-CD2 3.51Å; F67-Y350 HydrophobicContact CZ-CE1 4.04Å; F67-Y350 AromaticContact CZ-CE2 3.74Å; F67-Y350 HydrophobicContact CZ-CE2 3.74Å; F67-Y350 AromaticContact CZ-CG 3.5Å; F67-Y350 HydrophobicContact CZ-CG 3.5Å; N170-Y350 PolarHBondContact OD1-OH 2.92Å; P171-Y350 HydrophobicContact CB-CE1 3.98Å; P171-Y350 VanDerWaalsContact CD-OH 3.27Å; P171-Y350 WeakPolarHBondContact CD-OH 3.41Å; P171-Y350 HydrophobicContact CG-CE1 3.99Å; I172-Y350 HydrophobicContact CD1-CE2 3.7Å; I172-Y350 WeakPolarHBondContact CD1-OH 3.31Å; I172-Y350 HydrophobicContact CG1-CE2 4.32Å; I172-Y350 VanDerWaalsContact CG1-OH 3.26Å; I172-Y350 WeakPolarHBondContact CG1-OH 3.39Å; I172-Y350 PolarHBondContact N-OH 3.12Å; G251-Y350 WeakPolarHBondContact O-CD2 3.48Å; G251-Y350 WeakPolarHBondContact O-CE2 3.47Å; A277-Y350 VanDerWaalsContact CA-O 3.32Å; A277-Y350 WeakPolarHBondContact CA-O 3.32Å; G278-Y350 PolarHBondContact N-O 3.36Å; Y350-V352 HydrophobicContact CE1-CB 4.44Å; Y350-V352 HydrophobicContact CE1-CG1 3.83Å
351I90.5Very high88.7Confident7 Ų744.4 Ų44.44%0.03625%0.25CC..EExtended strand (participates in β ladder)trans-130.6134.4177.2-58.2-68000108Y249 I265 L275 V276 A277 I308Y249-I351 HydrophobicContact CD1-CB 4.04Å; Y249-I351 HydrophobicContact CD1-CG2 4.1Å; Y249-I351 WeakPolarHBondContact CD1-O 3.15Å; Y249-I351 HydrophobicContact CE1-CB 3.65Å; Y249-I351 HydrophobicContact CE1-CG2 3.58Å; I265-I351 HydrophobicContact CD1-CD1 4.18Å; I265-I351 HydrophobicContact CD1-CG1 3.71Å; I265-I351 HydrophobicContact CG1-CG1 4.02Å; I265-I351 HydrophobicContact CG2-CD1 4.41Å; L275-I351 HydrophobicContact CB-CG2 4.16Å; L275-I351 HydrophobicContact CD1-CG2 4Å; L275-I351 HydrophobicContact CD2-CG2 4.14Å; L275-I351 HydrophobicContact CG-CG2 4.35Å; V276-I351 CarbonylContact O-C 3.4Å; V276-I351 VanDerWaalsContact O-CA 3.3Å; V276-I351 WeakPolarHBondContact O-CA 3.31Å; A277-I351 HydrophobicContact CB-CD1 3.74Å; I308-I351 HydrophobicContact CD1-CD1 3.79Å
352V89.4Confident88.5Confident1 Ų144.9 Ų44.91%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-146.7140.7176.9660000112.3P171 I172 F175 L238 V276 Y350P171-V352 HydrophobicContact CB-CG1 3.57Å; I172-V352 HydrophobicContact CG1-CB 4.34Å; I172-V352 HydrophobicContact CG1-CG2 4.02Å; F175-V352 HydrophobicContact CD2-CB 4.45Å; F175-V352 HydrophobicContact CD2-CG1 3.93Å; F175-V352 HydrophobicContact CD2-CG2 3.71Å; F175-V352 HydrophobicContact CE2-CG1 3.87Å; F175-V352 HydrophobicContact CE2-CG2 4.25Å; F175-V352 HydrophobicContact CG-CG2 4.31Å; L238-V352 HydrophobicContact CD2-CG2 3.98Å; V276-V352 HydrophobicContact CB-CG1 3.84Å; V276-V352 HydrophobicContact CG1-CG1 4.31Å; V276-V352 PolarHBondContact N-O 3.3Å; V276-V352 PolarHBondContact O-N 3.47Å; Y350-V352 HydrophobicContact CE1-CB 4.44Å; Y350-V352 HydrophobicContact CE1-CG1 3.83Å
353A91.3Very high88.3Confident9 Ų944.5 Ų44.57%0.07424%0.243CC..  trans-160.6167.5161.500000111.1V133 F175 L238 L275V133-A353 HydrophobicContact CG1-CB 4Å; F175-A353 HydrophobicContact CE1-CB 4.46Å; F175-A353 HydrophobicContact CZ-CB 4.34Å; L238-A353 WeakPolarHBondContact CD2-O 3.22Å; L275-A353 HydrophobicContact CD2-CB 3.65Å
354S89Confident88.1Confident1 Ų145.5 Ų45.51%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-128.8161.6167.3-164.50000110.6R137 V236 Q237R137-S354 WeakPolarHBondContact CD-O 3.28Å; V236-S354 PolarHBondContact O-OG 2.88Å; Q237-S354 PolarHBondContact O-OG 3.41Å
355K90.9Very high87.6Confident92 Ų9247 Ų4740%0.426%0.257SS..EExtended strand (participates in β ladder)trans-79.6149.3167.1-72.7177.2-176.1-167.40109.7G235 V236 N272G235-K355 WeakPolarHBondContact CA-O 3.47Å; V236-K355 HydrophobicContact CG2-CB 3.55Å; V236-K355 WeakPolarHBondContact CG2-O 3.32Å; V236-K355 PolarHBondContact N-O 3.21Å; N272-K355 WeakPolarHBondContact OD1-CE 3.42Å; N272-K355 PolarHBondContact OD1-NZ 3.01Å
356P93.7Very high87.1Confident17 Ų1749.3 Ų49.311%0.1127%0.269CS..EExtended strand (participates in β ladder)trans-74.7154.7172.334.1-37.5000111.3I138 A141 W178 L358I138-P356 HydrophobicContact CB-CB 4.38Å; I138-P356 HydrophobicContact CG1-CB 3.57Å; I138-P356 HydrophobicContact CG1-CG 4.37Å; A141-P356 HydrophobicContact CB-CG 3.46Å; A141-P356 VanDerWaalsContact CB-CG 3.46Å; W178-P356 HydrophobicContact CH2-CB 3.82Å; W178-P356 HydrophobicContact CZ2-CB 3.99Å; P356-L358 HydrophobicContact CB-CD2 4.34Å; P356-L358 HydrophobicContact CG-CD2 4.03Å
357R92.4Very high86.8Confident144 Ų14451.6 Ų51.654%0.54328%0.275SS..EExtended strand (participates in β ladder)trans-91.6106.4157.2-177.4-175.5-61.6166.92.2107.1H234 V236H234-R357 HydrophobicContact CB-CB 4.47Å; H234-R357 WeakPolarHBondContact O-CB 3.37Å; H234-R357 PolarHBondContact O-N 3.07Å; V236-R357 HydrophobicContact CG1-CB 3.88Å
358L87.5Confident86.4Confident70 Ų7055.5 Ų55.537%0.36630%0.297SS..  trans-67.2149.1177.2-60.3-178.6000111A141 P356 S360A141-L358 HydrophobicContact CB-CD1 4.21Å; A141-L358 HydrophobicContact CB-CD2 3.98Å; A141-L358 HydrophobicContact CB-CG 4.36Å; A141-L358 WeakPolarHBondContact O-CD1 3.34Å; P356-L358 HydrophobicContact CB-CD2 4.34Å; P356-L358 HydrophobicContact CG-CD2 4.03Å; L358-S360 PolarHBondContact O-N 3.32Å
359L74.1Confident86Confident132 Ų13259 Ų5969%0.69132%0.316SS*.  trans-77.2116.6171.5-61.5173.9000107.3E146E146-L359 PolarHBondContact OE1-N 3.3Å
360S59.4Low86Confident190 Ų19061.1 Ų61.1100%1.32933%0.327SS*.  trans-69.50178.861.10000112.6L358L358-S360 PolarHBondContact O-N 3.32Å

Retrieved 360 of 360 residues in 165.4 ms (Link to these results)

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