A0A3Q0KV59_SCHMA Loading...

CCR4-NOT transcription complex subunit 9

AlphaFold DB , UniProt , Accession A0A3Q0KV59, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 375 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
1M42.7Very low47.2Very low242 Ų242140.6 Ų140.6100%1.19280%0.796SS**  0102.50-75.4170.2161.600106.8
2S40.6Very low48.5Very low116 Ų116134.6 Ų134.681%0.81177%0.769SS**  trans-149.571-165.3-49.10000110.1
3S44.1Very low50.4Low118 Ų118129 Ų12983%0.82574%0.743SS**  trans-151.323.7-162.5-47.40000115.6
4V51.5Low52.4Low133 Ų133124.1 Ų124.181%0.80673%0.726SS**  trans-141.293.3179.4-171.80000111.7
5Q46.7Very low54.2Low183 Ų183119.8 Ų119.886%0.85571%0.705SS**  trans-160.5-0.5162.2-130.9170.6-5.200116.5
6I49.4Very low56.2Low161 Ų161116.9 Ų116.983%0.82669%0.686SS**SBendtrans-82.8-21.9-171.5-62.3175.6000113S8I6-S8 PolarHBondContact O-N 2.72Å
7T49.1Very low58.3Low113 Ų113112.9 Ų112.969%0.69366%0.66SS**G310 helixtrans-67.5-28.3-164.4-30.90000115.3
8S48.5Very low60.2Low99 Ų99112.6 Ų112.669%0.69265%0.651SS**G310 helixtrans-78.9-21.5-164.9-54.80000115.8I6 S11I6-S8 PolarHBondContact O-N 2.72Å; S8-S11 PolarHBondContact O-OG 2.93Å
9Q42.4Very low62.1Low173 Ų173108.7 Ų108.781%0.80863%0.631SS**G310 helixtrans-81.1-19.9-178.9-76.3-176.6-30.500113.4S12Q9-S12 PolarHBondContact O-OG 2.85Å
10N50Low63.7Low132 Ų132103.3 Ų103.371%0.70660%0.599SS**THydrogen-bonded Turntrans-88.1-5.1-173-136.441.3000113.9S13N10-S13 PolarHBondContact O-OG 3.03Å
11S54.3Low65.3Low77 Ų77104.8 Ų104.854%0.53860%0.596SS.*THydrogen-bonded Turntrans-88.4-35-179.553.50000113.4S8 A14 S15S8-S11 PolarHBondContact O-OG 2.93Å; S11-A14 PolarHBondContact O-N 2.95Å; S11-S15 PolarHBondContact O-N 3.14Å; S11-S15 PolarHBondContact O-OG 3.09Å
12S62.4Low67.8Low68 Ų6898.6 Ų98.648%0.47656%0.562SS.*Hα-helixtrans-70.3-36.5-177.648.70000113.1Q9 A14 S15 D16Q9-S12 PolarHBondContact O-OG 2.85Å; S12-A14 VanDerWaalsContact C-N 3.33Å; S12-A14 PolarHBondContact O-N 2.61Å; S12-S15 PolarHBondContact O-N 3.49Å; S12-S15 PolarHBondContact O-OG 2.85Å; S12-D16 WeakPolarHBondContact O-CB 3.24Å; S12-D16 PolarHBondContact O-N 3.34Å; S12-D16 VanDerWaalsContact O-N 3.08Å
13S73.9Confident70.6Confident62 Ų6296 Ų9643%0.43454%0.535SS..Hα-helixtrans-63.4-37.3173.850.60000112.4N10 M17N10-S13 PolarHBondContact O-OG 3.03Å; S13-M17 WeakPolarHBondContact O-CG 3.32Å; S13-M17 PolarHBondContact O-N 3.47Å
14A78.2Confident73.1Confident61 Ų6190.5 Ų90.550%0.50450%0.496SS..Hα-helixtrans-66.8-45.8177.200000112.3S11 S12 D16 M17 E18S11-A14 PolarHBondContact O-N 2.95Å; S12-A14 VanDerWaalsContact C-N 3.33Å; S12-A14 PolarHBondContact O-N 2.61Å; A14-D16 VanDerWaalsContact C-N 3.32Å; A14-D16 PolarHBondContact O-N 3.32Å; A14-M17 PolarHBondContact O-N 3.21Å; A14-E18 PolarHBondContact O-N 3.31Å
15S79.2Confident75.3Confident59 Ų5987.1 Ų87.141%0.41348%0.482SS..Hα-helixtrans-65.6-33.4176.750.80000113.3S11 S12 S19S11-S15 PolarHBondContact O-N 3.14Å; S11-S15 PolarHBondContact O-OG 3.09Å; S12-S15 PolarHBondContact O-N 3.49Å; S12-S15 PolarHBondContact O-OG 2.85Å; S15-S19 PolarHBondContact O-N 3.16Å; S15-S19 PolarHBondContact O-OG 2.87Å
16D86.3Confident77.7Confident73 Ų7380.3 Ų80.339%0.3946%0.455SS..Hα-helixtrans-66-45.3174.3-98.731.6000111.3S12 A14 S19 V20 K43S12-D16 WeakPolarHBondContact O-CB 3.24Å; S12-D16 PolarHBondContact O-N 3.34Å; S12-D16 VanDerWaalsContact O-N 3.08Å; A14-D16 VanDerWaalsContact C-N 3.32Å; A14-D16 PolarHBondContact O-N 3.32Å; D16-S19 WeakPolarHBondContact O-CB 3.41Å; D16-S19 PolarHBondContact O-N 3.22Å; D16-V20 WeakPolarHBondContact O-CG2 3.37Å; D16-V20 PolarHBondContact O-N 3.2Å; D16-K43 IonicContact OD1-NZ 3.52Å; D16-K43 IonicContact OD2-NZ 3.78Å; D16-K43 PolarHBondContact OD2-NZ 3.19Å
17M91.5Very high80Confident50 Ų5072.6 Ų72.625%0.24642%0.415CS..Hα-helixtrans-66.9-38.7176.7-74-59.2-6200112.7S13 A14 S19 V20 Y21 V47 L53S13-M17 WeakPolarHBondContact O-CG 3.32Å; S13-M17 PolarHBondContact O-N 3.47Å; A14-M17 PolarHBondContact O-N 3.21Å; M17-S19 PolarHBondContact O-N 2.82Å; M17-V20 WeakPolarHBondContact O-CB 3.33Å; M17-V20 PolarHBondContact O-N 2.66Å; M17-V20 VanDerWaalsContact O-N 3.1Å; M17-Y21 HydrophobicContact CB-CE2 4.15Å; M17-Y21 HydrophobicContact CE-CE1 4.4Å; M17-Y21 HydrophobicContact CE-CE2 4.2Å; M17-Y21 WeakPolarHBondContact O-CD2 3.33Å; M17-Y21 PolarHBondContact O-N 2.82Å; M17-V47 HydrophobicContact CE-CG1 4.41Å; M17-V47 HydrophobicContact SD-CG1 3.85Å; M17-V47 HydrophobicContact SD-CG2 4.48Å; M17-L53 HydrophobicContact CE-CD1 3.98Å
18E93.4Very high82.2Confident106 Ų10670.8 Ų70.850%0.49540%0.404SS..Hα-helixtrans-58.2-36.8173.4-158.6-160.9153.100111.6A14 K22A14-E18 PolarHBondContact O-N 3.31Å; E18-K22 VanDerWaalsContact CD-NZ 3.29Å; E18-K22 VanDerWaalsContact O-CG 3.32Å; E18-K22 WeakPolarHBondContact O-CG 3.37Å; E18-K22 PolarHBondContact O-N 3.27Å; E18-K22 WeakPolarHBondContact OE1-CE 3.47Å; E18-K22 IonicContact OE1-NZ 2.62Å; E18-K22 PolarHBondContact OE1-NZ 2.91Å; E18-K22 IonicContact OE2-NZ 3.95Å
19S94.8Very high84.5Confident39 Ų3969.2 Ų69.227%0.27339%0.388SS..Hα-helixtrans-68.7-40.9175.2-54.40000111.9S15 D16 M17 K22 W23S15-S19 PolarHBondContact O-N 3.16Å; S15-S19 PolarHBondContact O-OG 2.87Å; D16-S19 WeakPolarHBondContact O-CB 3.41Å; D16-S19 PolarHBondContact O-N 3.22Å; M17-S19 PolarHBondContact O-N 2.82Å; S19-K22 PolarHBondContact O-N 3.38Å; S19-W23 VanDerWaalsContact O-CE3 3.29Å; S19-W23 PolarHBondContact O-N 3.07Å
20V95.8Very high87.1Confident0 Ų065.1 Ų65.10%038%0.375CS..Hα-helixtrans-60.2-46.9174.31730000111.9D16 M17 K22 W23 V24 L40 K43 V47 L50 L53D16-V20 WeakPolarHBondContact O-CG2 3.37Å; D16-V20 PolarHBondContact O-N 3.2Å; M17-V20 WeakPolarHBondContact O-CB 3.33Å; M17-V20 PolarHBondContact O-N 2.66Å; M17-V20 VanDerWaalsContact O-N 3.1Å; V20-K22 VanDerWaalsContact C-N 3.31Å; V20-K22 PolarHBondContact O-N 3.02Å; V20-W23 HydrophobicContact CG2-CE3 4.28Å; V20-W23 HydrophobicContact CG2-CZ3 4.21Å; V20-W23 PolarHBondContact O-N 3.08Å; V20-V24 PolarHBondContact O-N 2.99Å; V20-L40 HydrophobicContact CG1-CD2 4.13Å; V20-K43 HydrophobicContact CG2-CB 4.48Å; V20-K43 HydrophobicContact CG2-CG 4.26Å; V20-V47 HydrophobicContact CG2-CG2 4.22Å; V20-L50 HydrophobicContact CG1-CD1 4.08Å; V20-L53 HydrophobicContact CG1-CD1 4.06Å; V20-L53 HydrophobicContact CG1-CD2 4.47Å
21Y96.1Very high89.3Confident136 Ų13667 Ų6753%0.53338%0.379SS..Hα-helixtrans-60.5-40.8177-64.3-57.4000112.1M17 V24 A25 L53M17-Y21 HydrophobicContact CB-CE2 4.15Å; M17-Y21 HydrophobicContact CE-CE1 4.4Å; M17-Y21 HydrophobicContact CE-CE2 4.2Å; M17-Y21 WeakPolarHBondContact O-CD2 3.33Å; M17-Y21 PolarHBondContact O-N 2.82Å; Y21-V24 PolarHBondContact O-N 3.03Å; Y21-A25 PolarHBondContact O-N 3.12Å; Y21-L53 HydrophobicContact CD1-CD1 3.93Å; Y21-L53 HydrophobicContact CD1-CD2 4.43Å; Y21-L53 HydrophobicContact CD1-CG 4.34Å; Y21-L53 HydrophobicContact CE1-CD1 3.49Å; Y21-L53 VanDerWaalsContact CE1-CD1 3.49Å; Y21-L53 HydrophobicContact CE1-CG 4.06Å
22K96.6Very high91.3Very high112 Ų11265.9 Ų65.949%0.48737%0.369SS..Hα-helixtrans-61.6-46.9175.3-72.5166.8-173.7169.40111.7E18 S19 V20 A25 S26E18-K22 VanDerWaalsContact CD-NZ 3.29Å; E18-K22 VanDerWaalsContact O-CG 3.32Å; E18-K22 WeakPolarHBondContact O-CG 3.37Å; E18-K22 PolarHBondContact O-N 3.27Å; E18-K22 WeakPolarHBondContact OE1-CE 3.47Å; E18-K22 IonicContact OE1-NZ 2.62Å; E18-K22 PolarHBondContact OE1-NZ 2.91Å; E18-K22 IonicContact OE2-NZ 3.95Å; S19-K22 PolarHBondContact O-N 3.38Å; V20-K22 VanDerWaalsContact C-N 3.31Å; V20-K22 PolarHBondContact O-N 3.02Å; K22-A25 PolarHBondContact O-N 3.34Å; K22-S26 WeakPolarHBondContact O-CB 3.2Å; K22-S26 PolarHBondContact O-N 3Å; K22-S26 PolarHBondContact O-OG 3.02Å; K22-S26 VanDerWaalsContact O-OG 3.05Å
23W97.7Very high93Very high62 Ų6263 Ų6324%0.23535%0.348CS..Hα-helixtrans-64.8-40177.9-63.5-45.1000112.6S19 V20 S26 L27 A36 E39 L40 K43S19-W23 VanDerWaalsContact O-CE3 3.29Å; S19-W23 PolarHBondContact O-N 3.07Å; V20-W23 HydrophobicContact CG2-CE3 4.28Å; V20-W23 HydrophobicContact CG2-CZ3 4.21Å; V20-W23 PolarHBondContact O-N 3.08Å; W23-S26 CarbonylContact O-C 3.52Å; W23-S26 WeakPolarHBondContact O-CA 3.38Å; W23-S26 WeakPolarHBondContact O-CB 3.28Å; W23-S26 PolarHBondContact O-N 3.31Å; W23-S26 VanDerWaalsContact O-N 3.16Å; W23-L27 PolarHBondContact O-N 3.19Å; W23-L27 VanDerWaalsContact O-N 3.16Å; W23-A36 HydrophobicContact CB-CB 4.23Å; W23-A36 WeakPolarHBondContact O-CB 3.34Å; W23-E39 HydrophobicContact CD2-CB 3.67Å; W23-E39 HydrophobicContact CD2-CG 4.45Å; W23-E39 HydrophobicContact CE3-CB 4Å; W23-E39 HydrophobicContact CG-CB 4.17Å; W23-E39 HydrophobicContact CH2-CB 4.24Å; W23-E39 HydrophobicContact CZ2-CB 3.87Å; W23-E39 HydrophobicContact CZ2-CG 4.05Å; W23-E39 HydrophobicContact CZ3-CB 4.3Å; W23-L40 HydrophobicContact CB-CD1 4.05Å; W23-L40 HydrophobicContact CB-CD2 3.79Å; W23-L40 HydrophobicContact CB-CG 3.71Å; W23-L40 HydrophobicContact CE3-CD2 4.34Å; W23-K43 HydrophobicContact CZ3-CG 3.91Å
24V97.4Very high94.2Very high2 Ų263.2 Ų63.21%0.01234%0.342CS..Hα-helixtrans-65.3-42.9177.5173.50000111.8V20 Y21 S26 L27 L40 L50 L53 L54 S57 S60V20-V24 PolarHBondContact O-N 2.99Å; Y21-V24 PolarHBondContact O-N 3.03Å; V24-S26 VanDerWaalsContact C-N 3.26Å; V24-S26 PolarHBondContact O-N 3.01Å; V24-L27 WeakPolarHBondContact O-CB 3.34Å; V24-L27 PolarHBondContact O-N 3.21Å; V24-L27 VanDerWaalsContact O-N 3.11Å; V24-L40 HydrophobicContact CG2-CD1 3.79Å; V24-L40 HydrophobicContact CG2-CD2 3.64Å; V24-L40 HydrophobicContact CG2-CG 4.39Å; V24-L50 HydrophobicContact CG2-CD1 4.43Å; V24-L53 HydrophobicContact CB-CD2 3.95Å; V24-L53 HydrophobicContact CG1-CD2 3.98Å; V24-L53 HydrophobicContact CG2-CD2 3.55Å; V24-L54 HydrophobicContact CB-CD2 4.48Å; V24-L54 HydrophobicContact CG1-CD2 4.06Å; V24-L54 HydrophobicContact CG2-CD2 3.67Å; V24-L54 HydrophobicContact CG2-CG 4.39Å; V24-S57 WeakPolarHBondContact CG1-OG 3.4Å; V24-S60 WeakPolarHBondContact CG1-OG 3.46Å
25A96.7Very high95.1Very high62 Ų6263.8 Ų63.851%0.51234%0.342SS..Hα-helixtrans-57.2-42.1171.200000111.7Y21 K22 L27 T28Y21-A25 PolarHBondContact O-N 3.12Å; K22-A25 PolarHBondContact O-N 3.34Å; A25-L27 PolarHBondContact O-N 2.98Å; A25-T28 PolarHBondContact O-N 3.1Å; A25-T28 PolarHBondContact O-OG1 3.24Å
26S97.4Very high96Very high39 Ų3961 Ų6127%0.27332%0.323SS..Hα-helixtrans-66.2-10.2177-67.50000115.7K22 W23 V24 T28 T32 R33K22-S26 WeakPolarHBondContact O-CB 3.2Å; K22-S26 PolarHBondContact O-N 3Å; K22-S26 PolarHBondContact O-OG 3.02Å; K22-S26 VanDerWaalsContact O-OG 3.05Å; W23-S26 CarbonylContact O-C 3.52Å; W23-S26 WeakPolarHBondContact O-CA 3.38Å; W23-S26 WeakPolarHBondContact O-CB 3.28Å; W23-S26 PolarHBondContact O-N 3.31Å; W23-S26 VanDerWaalsContact O-N 3.16Å; V24-S26 VanDerWaalsContact C-N 3.26Å; V24-S26 PolarHBondContact O-N 3.01Å; S26-T28 VanDerWaalsContact C-N 3.26Å; S26-T28 PolarHBondContact O-N 2.87Å; S26-T32 PolarHBondContact O-OG1 3.06Å; S26-R33 WeakPolarHBondContact O-CA 3.42Å; S26-R33 PolarHBondContact O-N 2.71Å
27L97.7Very high96.6Very high0 Ų057.6 Ų57.60%030%0.304CS..THydrogen-bonded Turntrans-65.9-30.2170.9-70.1175.3000112.2W23 V24 A25 R33 A36 L37 L40 L54 A63W23-L27 PolarHBondContact O-N 3.19Å; W23-L27 VanDerWaalsContact O-N 3.16Å; V24-L27 WeakPolarHBondContact O-CB 3.34Å; V24-L27 PolarHBondContact O-N 3.21Å; V24-L27 VanDerWaalsContact O-N 3.11Å; A25-L27 PolarHBondContact O-N 2.98Å; L27-R33 HydrophobicContact CD2-CG 4.25Å; L27-R33 WeakPolarHBondContact O-CG 3.33Å; L27-R33 PolarHBondContact O-NE 3.02Å; L27-A36 HydrophobicContact CD2-CB 3.91Å; L27-A36 HydrophobicContact CG-CB 4.31Å; L27-L37 HydrophobicContact CD2-CD2 3.73Å; L27-L37 HydrophobicContact CD2-CG 3.9Å; L27-L40 HydrophobicContact CD1-CD1 3.81Å; L27-L40 HydrophobicContact CD2-CD1 4.01Å; L27-L40 HydrophobicContact CG-CD1 3.9Å; L27-L54 HydrophobicContact CD1-CD2 3.56Å; L27-A63 HydrophobicContact CB-CB 4.33Å; L27-A63 WeakPolarHBondContact O-CB 3.42Å
28T96.9Very high96.9Very high74 Ų7458.7 Ų58.745%0.45431%0.311SS..THydrogen-bonded Turntrans-68.6-42.9-175.761.10000112A25 S26 R33A25-T28 PolarHBondContact O-N 3.1Å; A25-T28 PolarHBondContact O-OG1 3.24Å; S26-T28 VanDerWaalsContact C-N 3.26Å; S26-T28 PolarHBondContact O-N 2.87Å; T28-R33 PolarHBondContact O-NH2 3.47Å
29N96.7Very high97.1Very high67 Ų6755.9 Ų55.936%0.35830%0.298SS..SBendtrans-77.6119.7175177.95.6000111.4E31 T32 R33N29-E31 PolarHBondContact O-N 2.74Å; N29-E31 PolarHBondContact OD1-N 3.5Å; N29-T32 PolarHBondContact O-N 3.3Å; N29-T32 PolarHBondContact O-OG1 2.72Å; N29-R33 VanDerWaalsContact O-CB 3.29Å; N29-R33 WeakPolarHBondContact O-CB 3.41Å; N29-R33 PolarHBondContact O-N 3.09Å
30V95.8Very high97.2Very high87 Ų8754 Ų5453%0.52729%0.285SS..Hα-helixtrans-53.2-34.6179.7-179.40000113.3
31E96.6Very high97.2Very high171 Ų17155.1 Ų55.180%0.79929%0.292SS*.Hα-helixtrans-70.9-41.2-178-60.3177.4155.200112.4N29N29-E31 PolarHBondContact O-N 2.74Å; N29-E31 PolarHBondContact OD1-N 3.5Å
32T97.2Very high97.1Very high54 Ų5454.4 Ų54.433%0.33129%0.292SS..Hα-helixtrans-90.2-19.3-178.552.80000113.4S26 N29 E34 S35 A36S26-T32 PolarHBondContact O-OG1 3.06Å; N29-T32 PolarHBondContact O-N 3.3Å; N29-T32 PolarHBondContact O-OG1 2.72Å; T32-E34 VanDerWaalsContact C-N 3.31Å; T32-E34 PolarHBondContact O-N 3.44Å; T32-S35 PolarHBondContact O-N 3.31Å; T32-A36 PolarHBondContact O-N 2.97Å; T32-A36 VanDerWaalsContact O-N 3.11Å
33R98.1Very high97Very high8 Ų851.2 Ų51.23%0.0328%0.278CS..Hα-helixtrans-53.5-40.9-172.6-177.9-171.6-64.5176.2-3.6113.8S26 L27 T28 N29 S35 A36 L37 E67S26-R33 WeakPolarHBondContact O-CA 3.42Å; S26-R33 PolarHBondContact O-N 2.71Å; L27-R33 HydrophobicContact CD2-CG 4.25Å; L27-R33 WeakPolarHBondContact O-CG 3.33Å; L27-R33 PolarHBondContact O-NE 3.02Å; T28-R33 PolarHBondContact O-NH2 3.47Å; N29-R33 VanDerWaalsContact O-CB 3.29Å; N29-R33 WeakPolarHBondContact O-CB 3.41Å; N29-R33 PolarHBondContact O-N 3.09Å; R33-S35 PolarHBondContact O-N 3.28Å; R33-A36 WeakPolarHBondContact O-CB 3.23Å; R33-A36 PolarHBondContact O-N 3.3Å; R33-L37 HydrophobicContact CG-CD1 4.07Å; R33-L37 HydrophobicContact CG-CG 4.2Å; R33-L37 WeakPolarHBondContact O-CB 3.18Å; R33-L37 VanDerWaalsContact O-CG 3.25Å; R33-L37 WeakPolarHBondContact O-CG 3.35Å; R33-L37 PolarHBondContact O-N 3.41Å; R33-E67 VanDerWaalsContact CD-CD 3.49Å; R33-E67 WeakPolarHBondContact CD-OE1 3.22Å; R33-E67 IonicContact CZ-OE1 2.85Å; R33-E67 IonicContact NE-OE1 2.6Å; R33-E67 IonicContact NH1-OE1 3.76Å; R33-E67 PolarHBondContact NH1-OE1 2.6Å
34E98.1Very high96.8Very high66 Ų6650.8 Ų50.831%0.30828%0.276SS..Hα-helixtrans-64.4-42.1-177.1-171.3172.8150.700112.7T32 L37 L38 H83 R87T32-E34 VanDerWaalsContact C-N 3.31Å; T32-E34 PolarHBondContact O-N 3.44Å; E34-L37 PolarHBondContact O-N 3.28Å; E34-L38 PolarHBondContact O-N 2.96Å; E34-L38 VanDerWaalsContact O-N 3.16Å; E34-H83 IonicContact OE1-CE1 2.67Å; E34-H83 PolarHBondContact OE1-CE1 2.74Å; E34-H83 IonicContact OE1-ND1 3.08Å; E34-H83 IonicContact OE2-CE1 3.74Å; E34-R87 HydrophobicContact CG-CG 4.17Å; E34-R87 WeakPolarHBondContact OE2-CD 3.33Å; E34-R87 IonicContact OE2-CZ 3.95Å; E34-R87 IonicContact OE2-NE 3.64Å; E34-R87 IonicContact OE2-NH1 2.7Å; E34-R87 PolarHBondContact OE2-NH1 3.15Å
35S97.7Very high96.5Very high72 Ų7257.1 Ų57.150%0.50331%0.306SS..Hα-helixtrans-65.6-43.9174.5-173.50000110.8T32 R33 L37 L38 E39T32-S35 PolarHBondContact O-N 3.31Å; R33-S35 PolarHBondContact O-N 3.28Å; S35-L37 PolarHBondContact O-N 3Å; S35-L38 PolarHBondContact O-N 3.3Å; S35-E39 PolarHBondContact O-N 3.47Å
36A98Very high96.3Very high1 Ų157.8 Ų57.81%0.00831%0.306CS..Hα-helixtrans-59.2-45.7175.300000113W23 L27 T32 R33 L38 E39 L40W23-A36 HydrophobicContact CB-CB 4.23Å; W23-A36 WeakPolarHBondContact O-CB 3.34Å; L27-A36 HydrophobicContact CD2-CB 3.91Å; L27-A36 HydrophobicContact CG-CB 4.31Å; T32-A36 PolarHBondContact O-N 2.97Å; T32-A36 VanDerWaalsContact O-N 3.11Å; R33-A36 WeakPolarHBondContact O-CB 3.23Å; R33-A36 PolarHBondContact O-N 3.3Å; A36-L38 VanDerWaalsContact C-N 3.3Å; A36-L38 PolarHBondContact O-N 3.29Å; A36-E39 PolarHBondContact O-N 2.88Å; A36-L40 VanDerWaalsContact O-CB 3.26Å; A36-L40 WeakPolarHBondContact O-CB 3.34Å; A36-L40 WeakPolarHBondContact O-CD1 3.4Å; A36-L40 WeakPolarHBondContact O-CG 3.36Å; A36-L40 PolarHBondContact O-N 3.11Å
37L98.2Very high96.1Very high1 Ų156.6 Ų56.61%0.00530%0.297CS..Hα-helixtrans-56.8-43.4175.1-74.7171.6000111.7L27 R33 E34 S35 C41 L64 E67 R87 N90 A91 L94L27-L37 HydrophobicContact CD2-CD2 3.73Å; L27-L37 HydrophobicContact CD2-CG 3.9Å; R33-L37 HydrophobicContact CG-CD1 4.07Å; R33-L37 HydrophobicContact CG-CG 4.2Å; R33-L37 WeakPolarHBondContact O-CB 3.18Å; R33-L37 VanDerWaalsContact O-CG 3.25Å; R33-L37 WeakPolarHBondContact O-CG 3.35Å; R33-L37 PolarHBondContact O-N 3.41Å; E34-L37 PolarHBondContact O-N 3.28Å; S35-L37 PolarHBondContact O-N 3Å; L37-C41 WeakPolarHBondContact O-CB 3.49Å; L37-C41 PolarHBondContact O-N 3.24Å; L37-L64 HydrophobicContact CD2-CD2 3.59Å; L37-E67 HydrophobicContact CD1-CG 4.1Å; L37-R87 HydrophobicContact CD1-CG 4.49Å; L37-N90 HydrophobicContact CB-CB 4Å; L37-A91 HydrophobicContact CD1-CB 4.43Å; L37-A91 HydrophobicContact CD2-CB 3.83Å; L37-L94 HydrophobicContact CD2-CD1 3.93Å
38L97.5Very high95.8Very high73 Ų7361.2 Ų61.238%0.38233%0.327SS..Hα-helixtrans-65.8-47.8-179.8179.861.4000112E34 S35 A36 K42E34-L38 PolarHBondContact O-N 2.96Å; E34-L38 VanDerWaalsContact O-N 3.16Å; S35-L38 PolarHBondContact O-N 3.3Å; A36-L38 VanDerWaalsContact C-N 3.3Å; A36-L38 PolarHBondContact O-N 3.29Å; L38-K42 WeakPolarHBondContact O-CG 3.3Å; L38-K42 PolarHBondContact O-N 2.87Å
39E97.6Very high95.6Very high48 Ų4862.7 Ų62.722%0.22433%0.329CS..Hα-helixtrans-72.4-39.5-178.4-59.3-45.8129.800112.7W23 S35 A36 C41 K42 K43W23-E39 HydrophobicContact CD2-CB 3.67Å; W23-E39 HydrophobicContact CD2-CG 4.45Å; W23-E39 HydrophobicContact CE3-CB 4Å; W23-E39 HydrophobicContact CG-CB 4.17Å; W23-E39 HydrophobicContact CH2-CB 4.24Å; W23-E39 HydrophobicContact CZ2-CB 3.87Å; W23-E39 HydrophobicContact CZ2-CG 4.05Å; W23-E39 HydrophobicContact CZ3-CB 4.3Å; S35-E39 PolarHBondContact O-N 3.47Å; A36-E39 PolarHBondContact O-N 2.88Å; E39-C41 VanDerWaalsContact C-N 3.33Å; E39-C41 PolarHBondContact O-N 3.38Å; E39-K42 WeakPolarHBondContact O-CB 3.24Å; E39-K42 PolarHBondContact O-N 3.24Å; E39-K42 IonicContact OE1-NZ 3.85Å; E39-K42 PolarHBondContact OE1-NZ 3.42Å; E39-K42 WeakPolarHBondContact OE2-CD 3.45Å; E39-K42 WeakPolarHBondContact OE2-CE 3.39Å; E39-K42 IonicContact OE2-NZ 2.98Å; E39-K42 PolarHBondContact OE2-NZ 2.8Å; E39-K43 PolarHBondContact O-N 3.21Å; E39-K43 VanDerWaalsContact O-N 3.1Å
40L97.6Very high95.6Very high0 Ų059.6 Ų59.60%031%0.313CS..Hα-helixtrans-63.9-38.9174.7-67.4168.2000111.7V20 W23 V24 L27 A36 K42 K43 R44 L50 L54 L94V20-L40 HydrophobicContact CG1-CD2 4.13Å; W23-L40 HydrophobicContact CB-CD1 4.05Å; W23-L40 HydrophobicContact CB-CD2 3.79Å; W23-L40 HydrophobicContact CB-CG 3.71Å; W23-L40 HydrophobicContact CE3-CD2 4.34Å; V24-L40 HydrophobicContact CG2-CD1 3.79Å; V24-L40 HydrophobicContact CG2-CD2 3.64Å; V24-L40 HydrophobicContact CG2-CG 4.39Å; L27-L40 HydrophobicContact CD1-CD1 3.81Å; L27-L40 HydrophobicContact CD2-CD1 4.01Å; L27-L40 HydrophobicContact CG-CD1 3.9Å; A36-L40 VanDerWaalsContact O-CB 3.26Å; A36-L40 WeakPolarHBondContact O-CB 3.34Å; A36-L40 WeakPolarHBondContact O-CD1 3.4Å; A36-L40 WeakPolarHBondContact O-CG 3.36Å; A36-L40 PolarHBondContact O-N 3.11Å; L40-K42 VanDerWaalsContact C-N 3.25Å; L40-K42 PolarHBondContact O-N 3.31Å; L40-K43 PolarHBondContact O-N 3Å; L40-K43 VanDerWaalsContact O-N 3.12Å; L40-R44 PolarHBondContact O-N 2.93Å; L40-R44 VanDerWaalsContact O-N 3.08Å; L40-L50 HydrophobicContact CD2-CD1 3.99Å; L40-L54 HydrophobicContact CD1-CD2 4.45Å; L40-L94 HydrophobicContact CB-CD1 4.01Å; L40-L94 HydrophobicContact CB-CD2 3.98Å; L40-L94 HydrophobicContact CD1-CD1 4.4Å
41C95.6Very high95.6Very high22 Ų2255.6 Ų55.615%0.14929%0.289CS..Hα-helixtrans-62.7-31.3175.6-173.50000112.4L37 E39 R44 N90L37-C41 WeakPolarHBondContact O-CB 3.49Å; L37-C41 PolarHBondContact O-N 3.24Å; E39-C41 VanDerWaalsContact C-N 3.33Å; E39-C41 PolarHBondContact O-N 3.38Å; C41-R44 WeakPolarHBondContact O-CD 3.46Å; C41-R44 VanDerWaalsContact O-CG 3.31Å; C41-R44 WeakPolarHBondContact O-CG 3.34Å; C41-N90 HydrophobicContact CB-CB 4.39Å
42K95Very high95.7Very high122 Ų12248.1 Ų48.153%0.5326%0.255SS..Hα-helixtrans-71.1-39.7171.8-62.7171.5-155.6167.50112L38 E39 L40 R44L38-K42 WeakPolarHBondContact O-CG 3.3Å; L38-K42 PolarHBondContact O-N 2.87Å; E39-K42 WeakPolarHBondContact O-CB 3.24Å; E39-K42 PolarHBondContact O-N 3.24Å; E39-K42 IonicContact OE1-NZ 3.85Å; E39-K42 PolarHBondContact OE1-NZ 3.42Å; E39-K42 WeakPolarHBondContact OE2-CD 3.45Å; E39-K42 WeakPolarHBondContact OE2-CE 3.39Å; E39-K42 IonicContact OE2-NZ 2.98Å; E39-K42 PolarHBondContact OE2-NZ 2.8Å; L40-K42 VanDerWaalsContact C-N 3.25Å; L40-K42 PolarHBondContact O-N 3.31Å; K42-R44 VanDerWaalsContact C-N 3.29Å; K42-R44 PolarHBondContact O-N 3.04Å
43K93.8Very high95.7Very high44 Ų4446.6 Ų46.619%0.19125%0.245CC..Hα-helixtrans-74.8-13.8-177.9-71-66.1-173.3-176.90114.4D16 V20 W23 E39 L40 E45 S46 V47D16-K43 IonicContact OD1-NZ 3.52Å; D16-K43 IonicContact OD2-NZ 3.78Å; D16-K43 PolarHBondContact OD2-NZ 3.19Å; V20-K43 HydrophobicContact CG2-CB 4.48Å; V20-K43 HydrophobicContact CG2-CG 4.26Å; W23-K43 HydrophobicContact CZ3-CG 3.91Å; E39-K43 PolarHBondContact O-N 3.21Å; E39-K43 VanDerWaalsContact O-N 3.1Å; L40-K43 PolarHBondContact O-N 3Å; L40-K43 VanDerWaalsContact O-N 3.12Å; K43-E45 PolarHBondContact O-N 3.46Å; K43-S46 WeakPolarHBondContact CA-OG 3.45Å; K43-S46 PolarHBondContact O-N 2.91Å; K43-S46 PolarHBondContact O-OG 2.93Å; K43-V47 HydrophobicContact CB-CG2 4.17Å; K43-V47 PolarHBondContact O-N 2.87Å
44R93.1Very high95.7Very high54 Ų5446.2 Ų46.220%0.20424%0.243CC..THydrogen-bonded Turntrans-52-30.5-173.286.7-176.2-178.4173.7-1.6116.4L40 C41 K42 L50L40-R44 PolarHBondContact O-N 2.93Å; L40-R44 VanDerWaalsContact O-N 3.08Å; C41-R44 WeakPolarHBondContact O-CD 3.46Å; C41-R44 VanDerWaalsContact O-CG 3.31Å; C41-R44 WeakPolarHBondContact O-CG 3.34Å; K42-R44 VanDerWaalsContact C-N 3.29Å; K42-R44 PolarHBondContact O-N 3.04Å; R44-L50 HydrophobicContact CB-CD2 4.08Å
45E91.6Very high95.7Very high135 Ų13545.1 Ų45.163%0.63124%0.236SC*.THydrogen-bonded Turntrans-95.3-16.2179.9-80157-128.500112.5K43K43-E45 PolarHBondContact O-N 3.46Å
46S92.4Very high95.7Very high75 Ų7548.1 Ų48.152%0.52424%0.242SC..THydrogen-bonded Turntrans-97.6-12.6179.556.80000114.5K43K43-S46 WeakPolarHBondContact CA-OG 3.45Å; K43-S46 PolarHBondContact O-N 2.91Å; K43-S46 PolarHBondContact O-OG 2.93Å
47V93.3Very high95.6Very high14 Ų1450 Ų509%0.08526%0.255CS..  trans-128.292.6-175.3-176.50000108.9M17 V20 K43 E49 L50M17-V47 HydrophobicContact CE-CG1 4.41Å; M17-V47 HydrophobicContact SD-CG1 3.85Å; M17-V47 HydrophobicContact SD-CG2 4.48Å; V20-V47 HydrophobicContact CG2-CG2 4.22Å; K43-V47 HydrophobicContact CB-CG2 4.17Å; K43-V47 PolarHBondContact O-N 2.87Å; V47-E49 VanDerWaalsContact C-N 3.3Å; V47-E49 PolarHBondContact O-N 3.02Å; V47-L50 HydrophobicContact CB-CB 4.23Å; V47-L50 HydrophobicContact CG1-CB 4.08Å; V47-L50 VanDerWaalsContact O-CB 3.23Å; V47-L50 WeakPolarHBondContact O-CB 3.42Å; V47-L50 PolarHBondContact O-N 3.28Å; V47-L50 VanDerWaalsContact O-N 3.15Å
48P90.8Very high95.6Very high97 Ų9755.9 Ų55.963%0.6330%0.295SS*.THydrogen-bonded Turntrans-56.6-43.9-178.8-26.435.5000112.7L50P48-L50 PolarHBondContact O-N 3.03Å
49E92.8Very high95.6Very high106 Ų10654.1 Ų54.150%0.49530%0.295SS..THydrogen-bonded Turntrans-66.5-1.8-179.9-52.3-49.5127.800114.6V47 A51 P52 L53V47-E49 VanDerWaalsContact C-N 3.3Å; V47-E49 PolarHBondContact O-N 3.02Å; E49-A51 PolarHBondContact O-N 3.4Å; E49-P52 WeakPolarHBondContact O-CD 3.33Å; E49-L53 WeakPolarHBondContact O-CB 3.18Å; E49-L53 PolarHBondContact O-N 3.25Å
50L96.1Very high95.6Very high2 Ų251.9 Ų51.91%0.0129%0.285CS..Hα-helixtrans-61.3-32.6-176.3-17962.4000112.3V20 V24 L40 R44 V47 P48 L54 L94V20-L50 HydrophobicContact CG1-CD1 4.08Å; V24-L50 HydrophobicContact CG2-CD1 4.43Å; L40-L50 HydrophobicContact CD2-CD1 3.99Å; R44-L50 HydrophobicContact CB-CD2 4.08Å; V47-L50 HydrophobicContact CB-CB 4.23Å; V47-L50 HydrophobicContact CG1-CB 4.08Å; V47-L50 VanDerWaalsContact O-CB 3.23Å; V47-L50 WeakPolarHBondContact O-CB 3.42Å; V47-L50 PolarHBondContact O-N 3.28Å; V47-L50 VanDerWaalsContact O-N 3.15Å; P48-L50 PolarHBondContact O-N 3.03Å; L50-L54 HydrophobicContact CD1-CD1 3.94Å; L50-L54 HydrophobicContact CD1-CG 3.9Å; L50-L54 HydrophobicContact CD2-CD1 4.36Å; L50-L54 HydrophobicContact CG-CD1 3.78Å; L50-L54 HydrophobicContact CG-CG 4.21Å; L50-L54 VanDerWaalsContact O-CB 3.28Å; L50-L54 WeakPolarHBondContact O-CB 3.45Å; L50-L54 VanDerWaalsContact O-CG 3.23Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 2.96Å; L50-L94 HydrophobicContact CD2-CD2 4.1Å
51A97.4Very high95.6Very high3 Ų353 Ų533%0.02529%0.29CS..Hα-helixtrans-69.4-55.1-179.500000112.9E49 L53 L54 W55 L98 H101E49-A51 PolarHBondContact O-N 3.4Å; A51-L53 VanDerWaalsContact C-N 3.29Å; A51-L53 PolarHBondContact O-N 3.44Å; A51-L54 PolarHBondContact O-N 3.27Å; A51-W55 WeakPolarHBondContact O-CB 3.1Å; A51-W55 PolarHBondContact O-N 3.47Å; A51-L98 HydrophobicContact CB-CD1 4.42Å; A51-L98 HydrophobicContact CB-CG 3.99Å; A51-H101 HydrophobicContact CB-CB 3.41Å; A51-H101 VanDerWaalsContact CB-CB 3.41Å
52P97.5Very high95.7Very high13 Ų1354.4 Ų54.48%0.08430%0.304CS..Hα-helixtrans-56-42.4171.1-26.434.5000112.8E49 L54 W55 H56 H101 E103 T104E49-P52 WeakPolarHBondContact O-CD 3.33Å; P52-L54 PolarHBondContact O-N 3.15Å; P52-W55 PolarHBondContact O-N 3.39Å; P52-W55 VanDerWaalsContact O-N 3.16Å; P52-H56 PolarHBondContact O-CD2 2.65Å; P52-H56 PolarHBondContact O-N 3.44Å; P52-H101 WeakPolarHBondContact CG-CE1 3.39Å; P52-E103 WeakPolarHBondContact CG-OE2 3.14Å; P52-T104 HydrophobicContact CG-CG2 4.47Å
53L97.1Very high95.9Very high23 Ų2348.8 Ų48.812%0.1228%0.28CS..Hα-helixtrans-60.2-45.3179.4-170.8166.6000111.3M17 V20 Y21 V24 E49 A51 S57M17-L53 HydrophobicContact CE-CD1 3.98Å; V20-L53 HydrophobicContact CG1-CD1 4.06Å; V20-L53 HydrophobicContact CG1-CD2 4.47Å; Y21-L53 HydrophobicContact CD1-CD1 3.93Å; Y21-L53 HydrophobicContact CD1-CD2 4.43Å; Y21-L53 HydrophobicContact CD1-CG 4.34Å; Y21-L53 HydrophobicContact CE1-CD1 3.49Å; Y21-L53 VanDerWaalsContact CE1-CD1 3.49Å; Y21-L53 HydrophobicContact CE1-CG 4.06Å; V24-L53 HydrophobicContact CB-CD2 3.95Å; V24-L53 HydrophobicContact CG1-CD2 3.98Å; V24-L53 HydrophobicContact CG2-CD2 3.55Å; E49-L53 WeakPolarHBondContact O-CB 3.18Å; E49-L53 PolarHBondContact O-N 3.25Å; A51-L53 VanDerWaalsContact C-N 3.29Å; A51-L53 PolarHBondContact O-N 3.44Å; L53-S57 WeakPolarHBondContact O-CB 3.26Å; L53-S57 PolarHBondContact O-N 3.12Å; L53-S57 VanDerWaalsContact O-N 3.16Å; L53-S57 PolarHBondContact O-OG 3.44Å
54L98.1Very high96.1Very high0 Ų046.7 Ų46.70%027%0.271CS..Hα-helixtrans-67.8-33.7174.4-78.1171.3000113.4V24 L27 L40 L50 A51 P52 S60 I61 L94 L98V24-L54 HydrophobicContact CB-CD2 4.48Å; V24-L54 HydrophobicContact CG1-CD2 4.06Å; V24-L54 HydrophobicContact CG2-CD2 3.67Å; V24-L54 HydrophobicContact CG2-CG 4.39Å; L27-L54 HydrophobicContact CD1-CD2 3.56Å; L40-L54 HydrophobicContact CD1-CD2 4.45Å; L50-L54 HydrophobicContact CD1-CD1 3.94Å; L50-L54 HydrophobicContact CD1-CG 3.9Å; L50-L54 HydrophobicContact CD2-CD1 4.36Å; L50-L54 HydrophobicContact CG-CD1 3.78Å; L50-L54 HydrophobicContact CG-CG 4.21Å; L50-L54 VanDerWaalsContact O-CB 3.28Å; L50-L54 WeakPolarHBondContact O-CB 3.45Å; L50-L54 VanDerWaalsContact O-CG 3.23Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 2.96Å; A51-L54 PolarHBondContact O-N 3.27Å; P52-L54 PolarHBondContact O-N 3.15Å; L54-S60 WeakPolarHBondContact O-CB 3.3Å; L54-I61 WeakPolarHBondContact O-CD1 3.42Å; L54-L94 HydrophobicContact CD1-CB 4.14Å; L54-L94 HydrophobicContact CD1-CD1 4.35Å; L54-L94 HydrophobicContact CD1-CD2 4.14Å; L54-L94 HydrophobicContact CD1-CG 4.44Å; L54-L98 HydrophobicContact CB-CD1 4.02Å; L54-L98 HydrophobicContact CB-CD2 4.39Å; L54-L98 HydrophobicContact CD1-CD1 3.81Å
55W98.2Very high96.4Very high43 Ų4345.5 Ų45.516%0.16327%0.268CS..Hα-helixtrans-72.8-47.2-178.1-171.7-107.4000112.4A51 P52 I61 L98 T104 E107 F108 A111 I113A51-W55 WeakPolarHBondContact O-CB 3.1Å; A51-W55 PolarHBondContact O-N 3.47Å; P52-W55 PolarHBondContact O-N 3.39Å; P52-W55 VanDerWaalsContact O-N 3.16Å; W55-I61 HydrophobicContact CD2-CG1 4.33Å; W55-I61 HydrophobicContact CE3-CD1 3.69Å; W55-I61 HydrophobicContact CE3-CG1 3.6Å; W55-I61 HydrophobicContact CE3-CG2 4.44Å; W55-I61 HydrophobicContact CZ3-CD1 4.27Å; W55-I61 HydrophobicContact CZ3-CG1 4.02Å; W55-I61 HydrophobicContact CZ3-CG2 3.99Å; W55-L98 HydrophobicContact CB-CD2 3.86Å; W55-L98 HydrophobicContact CD2-CD2 4.29Å; W55-L98 HydrophobicContact CE3-CD2 3.57Å; W55-L98 HydrophobicContact CG-CD2 4.45Å; W55-L98 HydrophobicContact CZ3-CD2 4.48Å; W55-T104 HydrophobicContact CB-CG2 3.56Å; W55-T104 HydrophobicContact CG-CG2 3.85Å; W55-E107 HydrophobicContact CH2-CB 4.28Å; W55-E107 HydrophobicContact CZ2-CB 3.37Å; W55-E107 PolarHBondContact NE1-OE2 3.42Å; W55-F108 HydrophobicContact CZ3-CB 4.31Å; W55-F108 HydrophobicContact CZ3-CD2 4.47Å; W55-A111 HydrophobicContact CH2-CB 3.89Å; W55-I113 HydrophobicContact CH2-CD1 3.98Å; W55-I113 HydrophobicContact CZ3-CD1 3.61Å
56H97.6Very high96.7Very high134 Ų13444 Ų4462%0.6226%0.261SS*.Hα-helixtrans-83.7-11-178.8-58.7-60.4000113.7P52 C58P52-H56 PolarHBondContact O-CD2 2.65Å; P52-H56 PolarHBondContact O-N 3.44Å; H56-C58 PolarHBondContact O-N 3.39Å
57S97.3Very high97Very high40 Ų4041 Ų4128%0.2824%0.239SC..SBendtrans-74.1113.2174.3-71.20000111.9V24 L53 G59 S60V24-S57 WeakPolarHBondContact CG1-OG 3.4Å; L53-S57 WeakPolarHBondContact O-CB 3.26Å; L53-S57 PolarHBondContact O-N 3.12Å; L53-S57 VanDerWaalsContact O-N 3.16Å; L53-S57 PolarHBondContact O-OG 3.44Å; S57-G59 PolarHBondContact O-N 2.91Å; S57-S60 VanDerWaalsContact CB-OG 3.26Å; S57-S60 WeakPolarHBondContact CB-OG 3.46Å; S57-S60 VanDerWaalsContact O-CB 3.24Å; S57-S60 WeakPolarHBondContact O-CB 3.22Å; S57-S60 PolarHBondContact O-N 2.81Å; S57-S60 PolarHBondContact O-OG 2.92Å; S57-S60 VanDerWaalsContact O-OG 3.07Å
58C96.8Very high97.2Very high125 Ų12540.3 Ų40.385%0.84524%0.235SC*.THydrogen-bonded Turntrans-46.3130-177.9-171.10000113H56 S60H56-C58 PolarHBondContact O-N 3.39Å; C58-S60 PolarHBondContact O-N 3.31Å; C58-S60 VanDerWaalsContact O-N 3.15Å
59G97.1Very high97.6Very high37 Ų3738.1 Ų38.138%0.38122%0.221SC..THydrogen-bonded Turntrans74.5-11.4178.900000116.3S57 A62 A63S57-G59 PolarHBondContact O-N 2.91Å; G59-A62 PolarHBondContact O-N 3.2Å; G59-A63 PolarHBondContact O-N 2.67Å
60S97.9Very high97.8Very high1 Ų135.7 Ų35.71%0.00722%0.219CC..Hα-helixtrans-64.9-48-173.6-61.80000112.5V24 L54 S57 C58 A62 A63 L64V24-S60 WeakPolarHBondContact CG1-OG 3.46Å; L54-S60 WeakPolarHBondContact O-CB 3.3Å; S57-S60 VanDerWaalsContact CB-OG 3.26Å; S57-S60 WeakPolarHBondContact CB-OG 3.46Å; S57-S60 VanDerWaalsContact O-CB 3.24Å; S57-S60 WeakPolarHBondContact O-CB 3.22Å; S57-S60 PolarHBondContact O-N 2.81Å; S57-S60 PolarHBondContact O-OG 2.92Å; S57-S60 VanDerWaalsContact O-OG 3.07Å; C58-S60 PolarHBondContact O-N 3.31Å; C58-S60 VanDerWaalsContact O-N 3.15Å; S60-A62 VanDerWaalsContact C-N 3.32Å; S60-A62 PolarHBondContact O-N 3.09Å; S60-A63 WeakPolarHBondContact O-CB 3.31Å; S60-A63 PolarHBondContact O-N 3.41Å; S60-A63 VanDerWaalsContact O-N 3.17Å; S60-L64 WeakPolarHBondContact O-CG 3.45Å; S60-L64 PolarHBondContact O-N 3.31Å
61I98.2Very high97.9Very high22 Ų2236.1 Ų36.111%0.11322%0.221CC..Hα-helixtrans-64.7-37.3176.6-54.1-53.8000111.8L54 W55 A63 L64 L65 L98 I113L54-I61 WeakPolarHBondContact O-CD1 3.42Å; W55-I61 HydrophobicContact CD2-CG1 4.33Å; W55-I61 HydrophobicContact CE3-CD1 3.69Å; W55-I61 HydrophobicContact CE3-CG1 3.6Å; W55-I61 HydrophobicContact CE3-CG2 4.44Å; W55-I61 HydrophobicContact CZ3-CD1 4.27Å; W55-I61 HydrophobicContact CZ3-CG1 4.02Å; W55-I61 HydrophobicContact CZ3-CG2 3.99Å; I61-A63 VanDerWaalsContact C-N 3.32Å; I61-A63 PolarHBondContact O-N 3.36Å; I61-L64 HydrophobicContact CD1-CD1 4.29Å; I61-L64 PolarHBondContact O-N 3.47Å; I61-L65 HydrophobicContact CG2-CD1 4.34Å; I61-L65 WeakPolarHBondContact O-CG 3.32Å; I61-L65 PolarHBondContact O-N 3.14Å; I61-L98 HydrophobicContact CD1-CD2 3.52Å; I61-I113 HydrophobicContact CG2-CD1 3.84Å
62A98.2Very high97.9Very high53 Ų5339.2 Ų39.244%0.43823%0.233SC..Hα-helixtrans-63.7-37.7174.500000111.8G59 S60 L65 Q66G59-A62 PolarHBondContact O-N 3.2Å; S60-A62 VanDerWaalsContact C-N 3.32Å; S60-A62 PolarHBondContact O-N 3.09Å; A62-L65 PolarHBondContact O-N 2.95Å; A62-Q66 VanDerWaalsContact O-CG 3.31Å; A62-Q66 WeakPolarHBondContact O-CG 3.24Å; A62-Q66 PolarHBondContact O-N 2.94Å
63A98.4Very high98Very high3 Ų342.7 Ų42.73%0.02526%0.255CS..Hα-helixtrans-64.8-42.7173.100000112.1L27 G59 S60 I61 L65 Q66 E67L27-A63 HydrophobicContact CB-CB 4.33Å; L27-A63 WeakPolarHBondContact O-CB 3.42Å; G59-A63 PolarHBondContact O-N 2.67Å; S60-A63 WeakPolarHBondContact O-CB 3.31Å; S60-A63 PolarHBondContact O-N 3.41Å; S60-A63 VanDerWaalsContact O-N 3.17Å; I61-A63 VanDerWaalsContact C-N 3.32Å; I61-A63 PolarHBondContact O-N 3.36Å; A63-L65 VanDerWaalsContact C-N 3.34Å; A63-L65 PolarHBondContact O-N 2.68Å; A63-Q66 WeakPolarHBondContact O-CB 3.36Å; A63-Q66 PolarHBondContact O-N 3.25Å; A63-E67 WeakPolarHBondContact O-CG 3.15Å; A63-E67 PolarHBondContact O-N 3.02Å; A63-E67 VanDerWaalsContact O-N 3.16Å
64L98.4Very high98Very high0 Ų045.9 Ų45.90%027%0.267CS..Hα-helixtrans-62.7-39.2175.4-61.1-179.8000112.3L37 S60 I61 E67 I68 A91 L94 L95L37-L64 HydrophobicContact CD2-CD2 3.59Å; S60-L64 WeakPolarHBondContact O-CG 3.45Å; S60-L64 PolarHBondContact O-N 3.31Å; I61-L64 HydrophobicContact CD1-CD1 4.29Å; I61-L64 PolarHBondContact O-N 3.47Å; L64-E67 PolarHBondContact O-N 3.01Å; L64-I68 PolarHBondContact O-N 3.41Å; L64-A91 HydrophobicContact CD2-CB 3.98Å; L64-L94 HydrophobicContact CD1-CB 4.22Å; L64-L94 HydrophobicContact CD2-CB 4.47Å; L64-L94 HydrophobicContact CD2-CD1 4.04Å; L64-L95 HydrophobicContact CB-CD1 4.43Å; L64-L95 HydrophobicContact CB-CD2 4.04Å; L64-L95 HydrophobicContact CB-CG 4.29Å; L64-L95 HydrophobicContact CD1-CD2 3.69Å; L64-L95 HydrophobicContact CD1-CG 4.1Å
65L98.5Very high97.9Very high29 Ų2946.9 Ų46.915%0.15227%0.272CS..Hα-helixtrans-69.2-35.5175-69.4173.7000112.6I61 A62 A63 E67 I68 C69 I113 Y116I61-L65 HydrophobicContact CG2-CD1 4.34Å; I61-L65 WeakPolarHBondContact O-CG 3.32Å; I61-L65 PolarHBondContact O-N 3.14Å; A62-L65 PolarHBondContact O-N 2.95Å; A63-L65 VanDerWaalsContact C-N 3.34Å; A63-L65 PolarHBondContact O-N 2.68Å; L65-E67 VanDerWaalsContact C-N 3.31Å; L65-E67 PolarHBondContact O-N 3.11Å; L65-I68 HydrophobicContact CD2-CD1 4.34Å; L65-I68 PolarHBondContact O-N 3.38Å; L65-C69 PolarHBondContact O-N 2.86Å; L65-C69 PolarHBondContact O-SG 3.32Å; L65-I113 HydrophobicContact CD2-CG1 4.42Å; L65-I113 HydrophobicContact CD2-CG2 4.17Å; L65-Y116 HydrophobicContact CD2-CD1 4Å; L65-Y116 HydrophobicContact CD2-CD2 3.98Å; L65-Y116 HydrophobicContact CD2-CE1 4.22Å; L65-Y116 HydrophobicContact CD2-CE2 4.2Å; L65-Y116 HydrophobicContact CD2-CG 3.89Å
66Q98.3Very high97.7Very high103 Ų10351.6 Ų51.648%0.48130%0.3SS..Hα-helixtrans-60.6-40.1172.9-78173.79.700112.1A62 A63 I68 C69 A70A62-Q66 VanDerWaalsContact O-CG 3.31Å; A62-Q66 WeakPolarHBondContact O-CG 3.24Å; A62-Q66 PolarHBondContact O-N 2.94Å; A63-Q66 WeakPolarHBondContact O-CB 3.36Å; A63-Q66 PolarHBondContact O-N 3.25Å; Q66-I68 VanDerWaalsContact C-N 3.29Å; Q66-I68 PolarHBondContact O-N 2.97Å; Q66-C69 PolarHBondContact O-N 3Å; Q66-A70 VanDerWaalsContact O-CB 3.27Å; Q66-A70 WeakPolarHBondContact O-CB 3.47Å; Q66-A70 PolarHBondContact O-N 2.99Å
67E98.3Very high97.5Very high12 Ų1249.2 Ų49.26%0.05630%0.297CS..Hα-helixtrans-65.3-31.3177.1-64-66.5125.200112.5R33 L37 A63 L64 L65 I71 R87 V88 A91R33-E67 VanDerWaalsContact CD-CD 3.49Å; R33-E67 WeakPolarHBondContact CD-OE1 3.22Å; R33-E67 IonicContact CZ-OE1 2.85Å; R33-E67 IonicContact NE-OE1 2.6Å; R33-E67 IonicContact NH1-OE1 3.76Å; R33-E67 PolarHBondContact NH1-OE1 2.6Å; L37-E67 HydrophobicContact CD1-CG 4.1Å; A63-E67 WeakPolarHBondContact O-CG 3.15Å; A63-E67 PolarHBondContact O-N 3.02Å; A63-E67 VanDerWaalsContact O-N 3.16Å; L64-E67 PolarHBondContact O-N 3.01Å; L65-E67 VanDerWaalsContact C-N 3.31Å; L65-E67 PolarHBondContact O-N 3.11Å; E67-I71 WeakPolarHBondContact O-CG1 3.44Å; E67-R87 IonicContact OE1-CZ 2.73Å; E67-R87 IonicContact OE1-NE 3.71Å; E67-R87 IonicContact OE1-NH2 3.52Å; E67-R87 PolarHBondContact OE1-NH2 3.19Å; E67-R87 IonicContact OE2-CZ 3.93Å; E67-R87 IonicContact OE2-NE 3.48Å; E67-R87 PolarHBondContact OE2-NE 3.02Å; E67-R87 IonicContact OE2-NH2 3.85Å; E67-R87 PolarHBondContact OE2-NH2 3.4Å; E67-R87 VanDerWaalsContact OE2-NH2 3.17Å; E67-V88 WeakPolarHBondContact O-CG2 3.23Å; E67-A91 HydrophobicContact CB-CB 4.04Å
68I98.6Very high97.4Very high0 Ų050.4 Ų50.40%030%0.303CS..Hα-helixtrans-69.4-52.8170.9-70.2162.4000110.6L64 L65 Q66 A70 I71 Y72 V88 L92 L95 L117 F120L64-I68 PolarHBondContact O-N 3.41Å; L65-I68 HydrophobicContact CD2-CD1 4.34Å; L65-I68 PolarHBondContact O-N 3.38Å; Q66-I68 VanDerWaalsContact C-N 3.29Å; Q66-I68 PolarHBondContact O-N 2.97Å; I68-A70 VanDerWaalsContact C-N 3.27Å; I68-A70 PolarHBondContact O-N 3.27Å; I68-I71 WeakPolarHBondContact O-CB 3.21Å; I68-I71 PolarHBondContact O-N 3.2Å; I68-Y72 HydrophobicContact CG2-CE1 3.66Å; I68-V88 HydrophobicContact CG1-CG2 4.22Å; I68-L92 HydrophobicContact CD1-CD2 3.97Å; I68-L92 HydrophobicContact CG1-CD2 4.02Å; I68-L95 HydrophobicContact CD1-CD1 3.46Å; I68-L95 VanDerWaalsContact CD1-CD1 3.46Å; I68-L117 HydrophobicContact CD1-CD2 3.73Å; I68-L117 HydrophobicContact CG1-CD2 4.41Å; I68-F120 HydrophobicContact CB-CE2 4.39Å; I68-F120 HydrophobicContact CB-CZ 4.36Å; I68-F120 HydrophobicContact CG1-CE2 4.23Å; I68-F120 HydrophobicContact CG2-CE2 3.79Å; I68-F120 HydrophobicContact CG2-CZ 3.7Å
69C98.1Very high97.4Very high51 Ų5149 Ų4935%0.34529%0.287SS..Hα-helixtrans-62.6-32.7-177.2-68.70000113L65 Q66 I71 Y72L65-C69 PolarHBondContact O-N 2.86Å; L65-C69 PolarHBondContact O-SG 3.32Å; Q66-C69 PolarHBondContact O-N 3Å; C69-I71 PolarHBondContact O-N 2.56Å; C69-Y72 HydrophobicContact CB-CD2 4.4Å; C69-Y72 HydrophobicContact CB-CE2 4.29Å; C69-Y72 PolarHBondContact O-N 3.28Å
70A97.9Very high97.4Very high56 Ų5647.6 Ų47.646%0.46327%0.271SS..THydrogen-bonded Turntrans-62.2-19.1175.300000113.7Q66 I68 Y74Q66-A70 VanDerWaalsContact O-CB 3.27Å; Q66-A70 WeakPolarHBondContact O-CB 3.47Å; Q66-A70 PolarHBondContact O-N 2.99Å; I68-A70 VanDerWaalsContact C-N 3.27Å; I68-A70 PolarHBondContact O-N 3.27Å; A70-Y74 WeakPolarHBondContact O-CD2 3.48Å; A70-Y74 WeakPolarHBondContact O-CE2 3.39Å
71I98.3Very high97.4Very high10 Ų1049.9 Ų49.95%0.05129%0.287CS..THydrogen-bonded Turntrans-90-23.7179.1-61.9-65.7000112.4E67 I68 C69 P73 Y74 I75 L80 Q84 V88 F120 L133E67-I71 WeakPolarHBondContact O-CG1 3.44Å; I68-I71 WeakPolarHBondContact O-CB 3.21Å; I68-I71 PolarHBondContact O-N 3.2Å; C69-I71 PolarHBondContact O-N 2.56Å; I71-P73 VanDerWaalsContact C-CD 3.41Å; I71-P73 VanDerWaalsContact C-N 3.34Å; I71-Y74 WeakPolarHBondContact O-CA 3.4Å; I71-Y74 WeakPolarHBondContact O-CB 3.35Å; I71-Y74 PolarHBondContact O-N 3.35Å; I71-I75 HydrophobicContact CG2-CD1 3.92Å; I71-I75 HydrophobicContact CG2-CG1 4.28Å; I71-L80 HydrophobicContact CD1-CD1 3.99Å; I71-L80 HydrophobicContact CG2-CD1 3.97Å; I71-Q84 HydrophobicContact CD1-CB 3.83Å; I71-Q84 HydrophobicContact CD1-CG 4.48Å; I71-V88 HydrophobicContact CD1-CB 4.26Å; I71-V88 HydrophobicContact CD1-CG1 4.27Å; I71-V88 HydrophobicContact CG1-CB 3.77Å; I71-V88 HydrophobicContact CG1-CG1 3.94Å; I71-V88 HydrophobicContact CG1-CG2 3.95Å; I71-F120 HydrophobicContact CB-CE1 4.01Å; I71-F120 HydrophobicContact CB-CZ 3.9Å; I71-F120 HydrophobicContact CG2-CE1 3.67Å; I71-F120 HydrophobicContact CG2-CZ 3.92Å; I71-L133 HydrophobicContact CG2-CD2 4.41Å
72Y98.1Very high97.4Very high68 Ų6851.6 Ų51.627%0.26731%0.305SS..G310 helixtrans-51.5-40.7-178.2-62.7-16.2000114.6I68 C69 Y74 I75 Y116 T119 F120I68-Y72 HydrophobicContact CG2-CE1 3.66Å; C69-Y72 HydrophobicContact CB-CD2 4.4Å; C69-Y72 HydrophobicContact CB-CE2 4.29Å; C69-Y72 PolarHBondContact O-N 3.28Å; Y72-Y74 PolarHBondContact O-N 2.89Å; Y72-Y74 VanDerWaalsContact O-N 3.1Å; Y72-I75 WeakPolarHBondContact O-CB 3.4Å; Y72-I75 PolarHBondContact O-N 3.22Å; Y72-I75 VanDerWaalsContact O-N 3.16Å; Y72-Y116 WeakPolarHBondContact OH-CA 3.27Å; Y72-Y116 WeakPolarHBondContact OH-CB 3.31Å; Y72-Y116 WeakPolarHBondContact OH-CD1 3.48Å; Y72-Y116 PolarHBondContact OH-O 3.09Å; Y72-Y116 VanDerWaalsContact OH-O 3.06Å; Y72-T119 HydrophobicContact CD1-CG2 3.84Å; Y72-T119 HydrophobicContact CE1-CG2 4.05Å; Y72-T119 HydrophobicContact CG-CG2 4.46Å; Y72-F120 AromaticContact CD1-CE1 3.84Å; Y72-F120 HydrophobicContact CD1-CE1 3.84Å; Y72-F120 HydrophobicContact CD1-CZ 4.4Å; Y72-F120 AromaticContact CE1-CE1 3.95Å; Y72-F120 HydrophobicContact CE1-CE1 3.95Å; Y72-F120 HydrophobicContact CE1-CZ 4.25Å
73P97.7Very high97.4Very high86 Ų8654.4 Ų54.456%0.55831%0.309SS*.G310 helixtrans-62.1-16.6175.9-23.335.4000114.8I71I71-P73 VanDerWaalsContact C-CD 3.41Å; I71-P73 VanDerWaalsContact C-N 3.34Å
74Y97.4Very high97.4Very high91 Ų9156 Ų5636%0.35732%0.316SS..G310 helixtrans-102.81.1-178.1-53.8-92000113.5A70 I71 Y72 P77 N79 L80 Q84A70-Y74 WeakPolarHBondContact O-CD2 3.48Å; A70-Y74 WeakPolarHBondContact O-CE2 3.39Å; I71-Y74 WeakPolarHBondContact O-CA 3.4Å; I71-Y74 WeakPolarHBondContact O-CB 3.35Å; I71-Y74 PolarHBondContact O-N 3.35Å; Y72-Y74 PolarHBondContact O-N 2.89Å; Y72-Y74 VanDerWaalsContact O-N 3.1Å; Y74-P77 CarbonylContact C-O 3.53Å; Y74-N79 WeakPolarHBondContact CA-OD1 3.49Å; Y74-N79 VanDerWaalsContact CB-OD1 3.3Å; Y74-N79 WeakPolarHBondContact CB-OD1 3.5Å; Y74-N79 VanDerWaalsContact CD1-OD1 3.26Å; Y74-N79 WeakPolarHBondContact CD1-OD1 3.4Å; Y74-N79 PolarHBondContact O-N 3.4Å; Y74-N79 PolarHBondContact O-OD1 3.47Å; Y74-L80 PolarHBondContact O-N 3.22Å; Y74-Q84 VanDerWaalsContact CD1-NE2 3.3Å
75I97Very high97.3Very high21 Ų2156.1 Ų56.111%0.10832%0.316CS..THydrogen-bonded Turntrans-84.2-41.3177.5-63-58.8000111.4I71 Y72 P78 T119 F120 T123 F130 L133I71-I75 HydrophobicContact CG2-CD1 3.92Å; I71-I75 HydrophobicContact CG2-CG1 4.28Å; Y72-I75 WeakPolarHBondContact O-CB 3.4Å; Y72-I75 PolarHBondContact O-N 3.22Å; Y72-I75 VanDerWaalsContact O-N 3.16Å; I75-P78 WeakPolarHBondContact O-CA 3.43Å; I75-T119 HydrophobicContact CG2-CG2 4.37Å; I75-F120 HydrophobicContact CD1-CD1 3.73Å; I75-F120 HydrophobicContact CD1-CE1 3.94Å; I75-F120 HydrophobicContact CG1-CD1 4.09Å; I75-F120 HydrophobicContact CG1-CE1 4.09Å; I75-T123 HydrophobicContact CD1-CG2 4.25Å; I75-T123 HydrophobicContact CG2-CG2 3.55Å; I75-F130 HydrophobicContact CD1-CE1 3.82Å; I75-F130 HydrophobicContact CD1-CZ 4.47Å; I75-L133 HydrophobicContact CD1-CD2 3.77Å
76N92.6Very high97.3Very high142 Ų14258.8 Ų58.876%0.75933%0.33SS*.THydrogen-bonded Turntrans-143.6108.9178.3-173.117.3000110.1
77P94.5Very high97.3Very high84 Ų8456.4 Ų56.455%0.54532%0.317SS..THydrogen-bonded Turncis-66.1151.7129.7-36.4000112.6Y74 N79Y74-P77 CarbonylContact C-O 3.53Å; P77-N79 PolarHBondContact O-N 3.16Å; P77-N79 PolarHBondContact O-OD1 2.9Å
78P95.1Very high97.3Very high65 Ų6555.9 Ų55.942%0.42232%0.315SS..THydrogen-bonded Turntrans-81.983-170.732.8-36.7000112.4I75 N125 F130I75-P78 WeakPolarHBondContact O-CA 3.43Å; P78-N125 HydrophobicContact CB-CB 4.08Å; P78-F130 HydrophobicContact CB-CE1 4.26Å; P78-F130 HydrophobicContact CB-CE2 3.72Å; P78-F130 HydrophobicContact CB-CZ 3.45Å; P78-F130 VanDerWaalsContact CB-CZ 3.45Å
79N96.3Very high97.3Very high94 Ų9455.9 Ų55.950%0.50332%0.315SS..  trans-116.515.8-176.565.53000114Y74 P77 S81Y74-N79 WeakPolarHBondContact CA-OD1 3.49Å; Y74-N79 VanDerWaalsContact CB-OD1 3.3Å; Y74-N79 WeakPolarHBondContact CB-OD1 3.5Å; Y74-N79 VanDerWaalsContact CD1-OD1 3.26Å; Y74-N79 WeakPolarHBondContact CD1-OD1 3.4Å; Y74-N79 PolarHBondContact O-N 3.4Å; Y74-N79 PolarHBondContact O-OD1 3.47Å; P77-N79 PolarHBondContact O-N 3.16Å; P77-N79 PolarHBondContact O-OD1 2.9Å; N79-S81 PolarHBondContact O-N 2.95Å
80L97.3Very high97.3Very high9 Ų954.8 Ų54.85%0.04731%0.306CS..  trans-53.1120.3177.5-178.863.1000113.8I71 Y74 Q84 P129 F130 L133I71-L80 HydrophobicContact CD1-CD1 3.99Å; I71-L80 HydrophobicContact CG2-CD1 3.97Å; Y74-L80 PolarHBondContact O-N 3.22Å; L80-Q84 HydrophobicContact CD1-CB 3.57Å; L80-P129 HydrophobicContact CD2-CB 4.23Å; L80-P129 HydrophobicContact CG-CB 4.14Å; L80-F130 HydrophobicContact CB-CD2 4.14Å; L80-F130 HydrophobicContact CB-CE2 3.52Å; L80-F130 HydrophobicContact CB-CZ 3.77Å; L80-F130 HydrophobicContact CD2-CD2 4.44Å; L80-F130 HydrophobicContact CD2-CE2 4.46Å; L80-L133 HydrophobicContact CD2-CB 4.45Å; L80-L133 HydrophobicContact CD2-CD2 3.75Å
81S97.9Very high97.4Very high49 Ų4952.1 Ų52.134%0.34328%0.284SS..  trans-78.7160.6174.172.60000113.3N79 H83 Q84 S85N79-S81 PolarHBondContact O-N 2.95Å; S81-H83 VanDerWaalsContact C-N 3.31Å; S81-H83 PolarHBondContact O-N 3.47Å; S81-Q84 VanDerWaalsContact CB-OE1 3.29Å; S81-Q84 PolarHBondContact O-N 3.02Å; S81-Q84 VanDerWaalsContact OG-CG 3.32Å; S81-Q84 WeakPolarHBondContact OG-CG 3.35Å; S81-Q84 PolarHBondContact OG-N 3.33Å; S81-Q84 PolarHBondContact OG-OE1 3.25Å; S81-S85 WeakPolarHBondContact O-CB 3.39Å; S81-S85 PolarHBondContact O-N 3.47Å
82A98.1Very high97.4Very high58 Ų5851.7 Ų51.748%0.47928%0.281SS..Hα-helixtrans-62.6-35.2175.800000113.2N86 P129A82-N86 WeakPolarHBondContact O-CB 3.38Å; A82-N86 PolarHBondContact O-N 3.43Å; A82-N86 PolarHBondContact O-ND2 2.91Å; A82-N86 PolarHBondContact O-OD1 2.95Å; A82-P129 HydrophobicContact CB-CG 4.21Å
83H98.1Very high97.4Very high112 Ų11248.7 Ų48.752%0.51927%0.271SS..Hα-helixtrans-66.4-49.3177.3164.376.3000111.4E34 S81 S85 N86 R87E34-H83 IonicContact OE1-CE1 2.67Å; E34-H83 PolarHBondContact OE1-CE1 2.74Å; E34-H83 IonicContact OE1-ND1 3.08Å; E34-H83 IonicContact OE2-CE1 3.74Å; S81-H83 VanDerWaalsContact C-N 3.31Å; S81-H83 PolarHBondContact O-N 3.47Å; H83-S85 VanDerWaalsContact C-N 3.35Å; H83-S85 PolarHBondContact O-N 2.86Å; H83-N86 PolarHBondContact O-N 3.34Å; H83-R87 WeakPolarHBondContact O-CB 3.45Å; H83-R87 PolarHBondContact O-N 3.42Å
84Q98.1Very high97.4Very high37 Ų3744.6 Ų44.617%0.17324%0.244CC..Hα-helixtrans-58.8-44.1174.6-72165.6-60.200112.2I71 Y74 L80 S81 R87 V88I71-Q84 HydrophobicContact CD1-CB 3.83Å; I71-Q84 HydrophobicContact CD1-CG 4.48Å; Y74-Q84 VanDerWaalsContact CD1-NE2 3.3Å; L80-Q84 HydrophobicContact CD1-CB 3.57Å; S81-Q84 VanDerWaalsContact CB-OE1 3.29Å; S81-Q84 PolarHBondContact O-N 3.02Å; S81-Q84 VanDerWaalsContact OG-CG 3.32Å; S81-Q84 WeakPolarHBondContact OG-CG 3.35Å; S81-Q84 PolarHBondContact OG-N 3.33Å; S81-Q84 PolarHBondContact OG-OE1 3.25Å; Q84-R87 PolarHBondContact O-N 3.25Å; Q84-V88 WeakPolarHBondContact O-CG1 3.45Å; Q84-V88 PolarHBondContact O-N 3.47Å
85S98.3Very high97.5Very high1 Ų140.3 Ų40.31%0.00723%0.227CC..Hα-helixtrans-59.9-47.2176.2174.90000112S81 H83 R87 V88 C89 P129S81-S85 WeakPolarHBondContact O-CB 3.39Å; S81-S85 PolarHBondContact O-N 3.47Å; H83-S85 VanDerWaalsContact C-N 3.35Å; H83-S85 PolarHBondContact O-N 2.86Å; S85-R87 PolarHBondContact O-N 3.24Å; S85-V88 WeakPolarHBondContact O-CG1 3.07Å; S85-C89 VanDerWaalsContact O-CB 3.24Å; S85-C89 WeakPolarHBondContact O-CB 3.35Å; S85-C89 PolarHBondContact O-N 2.76Å; S85-C89 PolarHBondContact O-SG 2.96Å; S85-P129 PolarHBondContact OG-O 3.13Å
86N98Very high97.5Very high85 Ų8542 Ų4246%0.45523%0.234SC..Hα-helixtrans-61.1-45.3175.9-70.1-14.7000112A82 H83 C89 N90 Y132A82-N86 WeakPolarHBondContact O-CB 3.38Å; A82-N86 PolarHBondContact O-N 3.43Å; A82-N86 PolarHBondContact O-ND2 2.91Å; A82-N86 PolarHBondContact O-OD1 2.95Å; H83-N86 PolarHBondContact O-N 3.34Å; N86-C89 PolarHBondContact O-N 3.07Å; N86-N90 PolarHBondContact O-N 3.28Å; N86-N90 VanDerWaalsContact O-N 3.08Å; N86-Y132 WeakPolarHBondContact OD1-CE1 3.29Å
87R98.2Very high97.7Very high53 Ų5336.1 Ų36.120%0.221%0.205CC..Hα-helixtrans-59.9-50.1-179.7177.2174.9167.8145.7-4.4112.1E34 L37 E67 H83 Q84 S85 C89 N90E34-R87 HydrophobicContact CG-CG 4.17Å; E34-R87 WeakPolarHBondContact OE2-CD 3.33Å; E34-R87 IonicContact OE2-CZ 3.95Å; E34-R87 IonicContact OE2-NE 3.64Å; E34-R87 IonicContact OE2-NH1 2.7Å; E34-R87 PolarHBondContact OE2-NH1 3.15Å; L37-R87 HydrophobicContact CD1-CG 4.49Å; E67-R87 IonicContact OE1-CZ 2.73Å; E67-R87 IonicContact OE1-NE 3.71Å; E67-R87 IonicContact OE1-NH2 3.52Å; E67-R87 PolarHBondContact OE1-NH2 3.19Å; E67-R87 IonicContact OE2-CZ 3.93Å; E67-R87 IonicContact OE2-NE 3.48Å; E67-R87 PolarHBondContact OE2-NE 3.02Å; E67-R87 IonicContact OE2-NH2 3.85Å; E67-R87 PolarHBondContact OE2-NH2 3.4Å; E67-R87 VanDerWaalsContact OE2-NH2 3.17Å; H83-R87 WeakPolarHBondContact O-CB 3.45Å; H83-R87 PolarHBondContact O-N 3.42Å; Q84-R87 PolarHBondContact O-N 3.25Å; S85-R87 PolarHBondContact O-N 3.24Å; R87-C89 VanDerWaalsContact C-N 3.35Å; R87-N90 PolarHBondContact O-N 2.67Å
88V98.5Very high97.9Very high1 Ų132.1 Ų32.11%0.00618%0.179CC..Hα-helixtrans-68.8-33.3176.572.30000111.9E67 I68 I71 Q84 S85 N90 A91 L92 F120 L133E67-V88 WeakPolarHBondContact O-CG2 3.23Å; I68-V88 HydrophobicContact CG1-CG2 4.22Å; I71-V88 HydrophobicContact CD1-CB 4.26Å; I71-V88 HydrophobicContact CD1-CG1 4.27Å; I71-V88 HydrophobicContact CG1-CB 3.77Å; I71-V88 HydrophobicContact CG1-CG1 3.94Å; I71-V88 HydrophobicContact CG1-CG2 3.95Å; Q84-V88 WeakPolarHBondContact O-CG1 3.45Å; Q84-V88 PolarHBondContact O-N 3.47Å; S85-V88 WeakPolarHBondContact O-CG1 3.07Å; V88-N90 VanDerWaalsContact C-N 3.27Å; V88-N90 PolarHBondContact O-N 2.82Å; V88-A91 WeakPolarHBondContact O-CA 3.45Å; V88-A91 WeakPolarHBondContact O-CB 3.48Å; V88-A91 PolarHBondContact O-N 2.68Å; V88-L92 HydrophobicContact CG2-CG 4.41Å; V88-L92 WeakPolarHBondContact O-CG 3.45Å; V88-L92 PolarHBondContact O-N 3.01Å; V88-F120 HydrophobicContact CG2-CE2 4.27Å; V88-F120 HydrophobicContact CG2-CZ 4.38Å; V88-L133 HydrophobicContact CG1-CD1 3.51Å
89C98.4Very high98Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-63.7-30.1176.2-740000112.9S85 N86 R87 L92 A93 Y132 T136S85-C89 VanDerWaalsContact O-CB 3.24Å; S85-C89 WeakPolarHBondContact O-CB 3.35Å; S85-C89 PolarHBondContact O-N 2.76Å; S85-C89 PolarHBondContact O-SG 2.96Å; N86-C89 PolarHBondContact O-N 3.07Å; R87-C89 VanDerWaalsContact C-N 3.35Å; C89-L92 PolarHBondContact O-N 2.53Å; C89-A93 VanDerWaalsContact O-CB 3.29Å; C89-A93 WeakPolarHBondContact O-CB 3.11Å; C89-A93 PolarHBondContact O-N 2.92Å; C89-Y132 HydrophobicContact CB-CD1 4.23Å; C89-Y132 HydrophobicContact CB-CE1 3.58Å; C89-T136 HydrophobicContact CB-CG2 4.21Å
90N98.3Very high98Very high29 Ų2927.5 Ų27.516%0.15516%0.155CC..Hα-helixtrans-64.4-42169.8-66.5-19.7000111.4L37 C41 N86 R87 V88 A93 L94L37-N90 HydrophobicContact CB-CB 4Å; C41-N90 HydrophobicContact CB-CB 4.39Å; N86-N90 PolarHBondContact O-N 3.28Å; N86-N90 VanDerWaalsContact O-N 3.08Å; R87-N90 PolarHBondContact O-N 2.67Å; V88-N90 VanDerWaalsContact C-N 3.27Å; V88-N90 PolarHBondContact O-N 2.82Å; N90-A93 PolarHBondContact O-N 3.32Å; N90-L94 PolarHBondContact O-N 3.42Å; N90-L94 VanDerWaalsContact O-N 3.16Å
91A98.6Very high98Very high0 Ų028.7 Ų28.70%016%0.161CC..Hα-helixtrans-65.4-42.317500000112.2L37 L64 E67 V88 A93 L94 L95L37-A91 HydrophobicContact CD1-CB 4.43Å; L37-A91 HydrophobicContact CD2-CB 3.83Å; L64-A91 HydrophobicContact CD2-CB 3.98Å; E67-A91 HydrophobicContact CB-CB 4.04Å; V88-A91 WeakPolarHBondContact O-CA 3.45Å; V88-A91 WeakPolarHBondContact O-CB 3.48Å; V88-A91 PolarHBondContact O-N 2.68Å; A91-A93 VanDerWaalsContact C-N 3.32Å; A91-A93 PolarHBondContact O-N 2.62Å; A91-L94 PolarHBondContact O-N 2.85Å; A91-L95 WeakPolarHBondContact O-CG 3.1Å; A91-L95 PolarHBondContact O-N 2.77Å
92L98.6Very high98Very high0 Ų030.2 Ų30.20%017%0.169CC..Hα-helixtrans-62-37.9173.7-64.9178000112.2I68 V88 C89 L94 L95 Q96 L117 F120 L133 T136 V140I68-L92 HydrophobicContact CD1-CD2 3.97Å; I68-L92 HydrophobicContact CG1-CD2 4.02Å; V88-L92 HydrophobicContact CG2-CG 4.41Å; V88-L92 WeakPolarHBondContact O-CG 3.45Å; V88-L92 PolarHBondContact O-N 3.01Å; C89-L92 PolarHBondContact O-N 2.53Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.37Å; L92-L95 HydrophobicContact CD2-CD1 4.46Å; L92-L95 PolarHBondContact O-N 2.71Å; L92-Q96 PolarHBondContact O-N 2.92Å; L92-L117 HydrophobicContact CD2-CD2 3.31Å; L92-F120 HydrophobicContact CD1-CD2 4.39Å; L92-F120 HydrophobicContact CD1-CE2 4.42Å; L92-F120 HydrophobicContact CD2-CE2 4.46Å; L92-L133 HydrophobicContact CD1-CD1 3.88Å; L92-T136 HydrophobicContact CB-CG2 3.57Å; L92-T136 HydrophobicContact CD1-CG2 4.18Å; L92-V140 HydrophobicContact CB-CG2 4.46Å; L92-V140 WeakPolarHBondContact O-CG2 3.37Å
93A98Very high97.9Very high6 Ų633.2 Ų33.25%0.0517%0.173CC..Hα-helixtrans-65.1-33.4175.800000112.6C89 N90 A91 Q96 C97C89-A93 VanDerWaalsContact O-CB 3.29Å; C89-A93 WeakPolarHBondContact O-CB 3.11Å; C89-A93 PolarHBondContact O-N 2.92Å; N90-A93 PolarHBondContact O-N 3.32Å; A91-A93 VanDerWaalsContact C-N 3.32Å; A91-A93 PolarHBondContact O-N 2.62Å; A93-Q96 WeakPolarHBondContact O-CB 3.48Å; A93-C97 PolarHBondContact O-N 2.92Å; A93-C97 PolarHBondContact O-SG 2.98Å; A93-C97 VanDerWaalsContact O-SG 3.37Å
94L98.3Very high97.9Very high0 Ų027.9 Ų27.90%015%0.148CC..Hα-helixtrans-70.4-44.3170.6-64.1179.9000111.4L37 L40 L50 L54 L64 N90 A91 L92 Q96 C97 L98L37-L94 HydrophobicContact CD2-CD1 3.93Å; L40-L94 HydrophobicContact CB-CD1 4.01Å; L40-L94 HydrophobicContact CB-CD2 3.98Å; L40-L94 HydrophobicContact CD1-CD1 4.4Å; L50-L94 HydrophobicContact CD2-CD2 4.1Å; L54-L94 HydrophobicContact CD1-CB 4.14Å; L54-L94 HydrophobicContact CD1-CD1 4.35Å; L54-L94 HydrophobicContact CD1-CD2 4.14Å; L54-L94 HydrophobicContact CD1-CG 4.44Å; L64-L94 HydrophobicContact CD1-CB 4.22Å; L64-L94 HydrophobicContact CD2-CB 4.47Å; L64-L94 HydrophobicContact CD2-CD1 4.04Å; N90-L94 PolarHBondContact O-N 3.42Å; N90-L94 VanDerWaalsContact O-N 3.16Å; A91-L94 PolarHBondContact O-N 2.85Å; L92-L94 VanDerWaalsContact C-N 3.31Å; L92-L94 PolarHBondContact O-N 3.37Å; L94-Q96 PolarHBondContact O-N 3.4Å; L94-C97 WeakPolarHBondContact O-CA 3.32Å; L94-C97 VanDerWaalsContact O-CB 3.3Å; L94-C97 WeakPolarHBondContact O-CB 3.37Å; L94-C97 PolarHBondContact O-N 2.97Å; L94-L98 WeakPolarHBondContact O-CD1 3.35Å; L94-L98 PolarHBondContact O-N 3.33Å
95L98.5Very high97.9Very high0 Ų026.9 Ų26.90%014%0.143CC..Hα-helixtrans-60.9-31.8174.9-66.1172.8000112.5L64 I68 A91 L92 C97 L98 A99 F108 I113L64-L95 HydrophobicContact CB-CD1 4.43Å; L64-L95 HydrophobicContact CB-CD2 4.04Å; L64-L95 HydrophobicContact CB-CG 4.29Å; L64-L95 HydrophobicContact CD1-CD2 3.69Å; L64-L95 HydrophobicContact CD1-CG 4.1Å; I68-L95 HydrophobicContact CD1-CD1 3.46Å; I68-L95 VanDerWaalsContact CD1-CD1 3.46Å; A91-L95 WeakPolarHBondContact O-CG 3.1Å; A91-L95 PolarHBondContact O-N 2.77Å; L92-L95 HydrophobicContact CD2-CD1 4.46Å; L92-L95 PolarHBondContact O-N 2.71Å; L95-C97 VanDerWaalsContact C-N 3.31Å; L95-C97 PolarHBondContact O-N 2.69Å; L95-L98 PolarHBondContact O-N 3.29Å; L95-A99 WeakPolarHBondContact O-CB 3.24Å; L95-A99 PolarHBondContact O-N 3.08Å; L95-F108 HydrophobicContact CB-CE2 3.92Å; L95-F108 HydrophobicContact CB-CZ 4.19Å; L95-F108 HydrophobicContact CD2-CE2 3.84Å; L95-F108 HydrophobicContact CG-CE2 4.44Å; L95-F108 WeakPolarHBondContact O-CE2 3.15Å; L95-I113 HydrophobicContact CD1-CG2 4.46Å; L95-I113 HydrophobicContact CD2-CG2 4.35Å
96Q98.2Very high97.8Very high56 Ų5629 Ų2926%0.26216%0.155SC..Hα-helixtrans-61.2-37.8171.3-169.7179.121.100112.1L92 A93 L94 S100 G139 V140 A143L92-Q96 PolarHBondContact O-N 2.92Å; A93-Q96 WeakPolarHBondContact O-CB 3.48Å; L94-Q96 PolarHBondContact O-N 3.4Å; Q96-S100 WeakPolarHBondContact O-CB 3.41Å; Q96-S100 PolarHBondContact O-N 2.77Å; Q96-G139 VanDerWaalsContact NE2-C 3.31Å; Q96-G139 PolarHBondContact NE2-O 3.4Å; Q96-V140 HydrophobicContact CB-CG2 4.1Å; Q96-A143 HydrophobicContact CG-CB 3.81Å
97C97.1Very high97.8Very high20 Ų2029.5 Ų29.514%0.13515%0.154CC..Hα-helixtrans-65.1-44.1175.6-63.20000111.4A93 L94 L95 S100 H101A93-C97 PolarHBondContact O-N 2.92Å; A93-C97 PolarHBondContact O-SG 2.98Å; A93-C97 VanDerWaalsContact O-SG 3.37Å; L94-C97 WeakPolarHBondContact O-CA 3.32Å; L94-C97 VanDerWaalsContact O-CB 3.3Å; L94-C97 WeakPolarHBondContact O-CB 3.37Å; L94-C97 PolarHBondContact O-N 2.97Å; L95-C97 VanDerWaalsContact C-N 3.31Å; L95-C97 PolarHBondContact O-N 2.69Å; C97-S100 WeakPolarHBondContact CA-OG 3.42Å; C97-S100 WeakPolarHBondContact O-CA 3.41Å; C97-S100 PolarHBondContact O-N 3.48Å; C97-S100 PolarHBondContact O-OG 3.29Å; C97-H101 PolarHBondContact O-N 3.03Å
98L98Very high97.8Very high0 Ų027 Ų270%015%0.145CC..Hα-helixtrans-67.4-35.2177.6-75.587.1000113.4A51 L54 W55 I61 L94 L95 S100 T104 R105 F108A51-L98 HydrophobicContact CB-CD1 4.42Å; A51-L98 HydrophobicContact CB-CG 3.99Å; L54-L98 HydrophobicContact CB-CD1 4.02Å; L54-L98 HydrophobicContact CB-CD2 4.39Å; L54-L98 HydrophobicContact CD1-CD1 3.81Å; W55-L98 HydrophobicContact CB-CD2 3.86Å; W55-L98 HydrophobicContact CD2-CD2 4.29Å; W55-L98 HydrophobicContact CE3-CD2 3.57Å; W55-L98 HydrophobicContact CG-CD2 4.45Å; W55-L98 HydrophobicContact CZ3-CD2 4.48Å; I61-L98 HydrophobicContact CD1-CD2 3.52Å; L94-L98 WeakPolarHBondContact O-CD1 3.35Å; L94-L98 PolarHBondContact O-N 3.33Å; L95-L98 PolarHBondContact O-N 3.29Å; L98-S100 VanDerWaalsContact C-N 3.26Å; L98-S100 PolarHBondContact O-N 2.87Å; L98-T104 WeakPolarHBondContact CA-OG1 3.48Å; L98-T104 PolarHBondContact O-OG1 2.85Å; L98-R105 PolarHBondContact O-N 2.8Å; L98-F108 HydrophobicContact CB-CD2 3.85Å; L98-F108 HydrophobicContact CB-CE2 4.21Å
99A98.1Very high97.7Very high0 Ų027.4 Ų27.40%015%0.147CC..Hα-helixtrans-63.1-32.7168.700000112.5L95 R105 F108 V140 A143 L144L95-A99 WeakPolarHBondContact O-CB 3.24Å; L95-A99 PolarHBondContact O-N 3.08Å; A99-R105 WeakPolarHBondContact O-CG 3.43Å; A99-R105 PolarHBondContact O-NE 3.39Å; A99-R105 VanDerWaalsContact O-NE 3.12Å; A99-F108 HydrophobicContact CB-CD1 4.46Å; A99-F108 HydrophobicContact CB-CE1 4.1Å; A99-F108 HydrophobicContact CB-CZ 4.19Å; A99-V140 HydrophobicContact CB-CG1 4.11Å; A99-A143 HydrophobicContact CB-CB 4.12Å; A99-L144 HydrophobicContact CB-CD2 3.52Å; A99-L144 HydrophobicContact CB-CG 3.82Å
100S96.5Very high97.7Very high62 Ų6234.3 Ų34.343%0.43418%0.177SC..Hα-helixtrans-82.4-25.8-178.678.10000114.5Q96 C97 L98 R105Q96-S100 WeakPolarHBondContact O-CB 3.41Å; Q96-S100 PolarHBondContact O-N 2.77Å; C97-S100 WeakPolarHBondContact CA-OG 3.42Å; C97-S100 WeakPolarHBondContact O-CA 3.41Å; C97-S100 PolarHBondContact O-N 3.48Å; C97-S100 PolarHBondContact O-OG 3.29Å; L98-S100 VanDerWaalsContact C-N 3.26Å; L98-S100 PolarHBondContact O-N 2.87Å; S100-R105 PolarHBondContact O-NH2 3.16Å
101H97.2Very high97.7Very high34 Ų3435.2 Ų35.216%0.15719%0.188CC..SBendtrans-85.6133.2-172.9-165.4-95.1000112.5A51 P52 C97 E103 T104 R105A51-H101 HydrophobicContact CB-CB 3.41Å; A51-H101 VanDerWaalsContact CB-CB 3.41Å; P52-H101 WeakPolarHBondContact CG-CE1 3.39Å; C97-H101 PolarHBondContact O-N 3.03Å; H101-E103 VanDerWaalsContact C-N 3.34Å; H101-E103 IonicContact CE1-OE2 3.47Å; H101-E103 PolarHBondContact O-N 3.4Å; H101-T104 PolarHBondContact O-N 2.84Å; H101-R105 WeakPolarHBondContact O-CB 3.39Å; H101-R105 PolarHBondContact O-N 3.45Å
102P96.5Very high97.6Very high80 Ų8038.9 Ų38.952%0.51921%0.208SC..Hα-helixtrans-61.7-36.1-170.923.5-34.1000114.6
103E96.9Very high97.6Very high121 Ų12139 Ų3957%0.56521%0.209SC*.Hα-helixtrans-72.8-36.9-177.3-59179.915900112.3P52 H101P52-E103 WeakPolarHBondContact CG-OE2 3.14Å; H101-E103 VanDerWaalsContact C-N 3.34Å; H101-E103 IonicContact CE1-OE2 3.47Å; H101-E103 PolarHBondContact O-N 3.4Å
104T97.8Very high97.6Very high0 Ų038.7 Ų38.70%021%0.206CC..Hα-helixtrans-94.2-22.7-174.154.90000113.9P52 W55 L98 H101 N106 E107 F108P52-T104 HydrophobicContact CG-CG2 4.47Å; W55-T104 HydrophobicContact CB-CG2 3.56Å; W55-T104 HydrophobicContact CG-CG2 3.85Å; L98-T104 WeakPolarHBondContact CA-OG1 3.48Å; L98-T104 PolarHBondContact O-OG1 2.85Å; H101-T104 PolarHBondContact O-N 2.84Å; T104-N106 VanDerWaalsContact C-N 3.35Å; T104-N106 PolarHBondContact O-N 2.81Å; T104-E107 PolarHBondContact O-N 3.33Å; T104-E107 VanDerWaalsContact O-N 3.17Å; T104-F108 VanDerWaalsContact O-CB 3.25Å; T104-F108 WeakPolarHBondContact O-CB 3.46Å; T104-F108 PolarHBondContact O-N 3.21Å
105R97.8Very high97.6Very high16 Ų1642 Ų426%0.0622%0.223CC..Hα-helixtrans-54.3-46.3-174-176.4-177.1-45.5107.310113.5L98 A99 S100 H101 F108 L109 L144 E149L98-R105 PolarHBondContact O-N 2.8Å; A99-R105 WeakPolarHBondContact O-CG 3.43Å; A99-R105 PolarHBondContact O-NE 3.39Å; A99-R105 VanDerWaalsContact O-NE 3.12Å; S100-R105 PolarHBondContact O-NH2 3.16Å; H101-R105 WeakPolarHBondContact O-CB 3.39Å; H101-R105 PolarHBondContact O-N 3.45Å; R105-F108 WeakPolarHBondContact O-CB 2.94Å; R105-F108 PolarHBondContact O-N 2.93Å; R105-L109 WeakPolarHBondContact O-CB 3.49Å; R105-L109 PolarHBondContact O-N 3.41Å; R105-L144 HydrophobicContact CG-CD2 3.93Å; R105-E149 WeakPolarHBondContact CD-OE2 3.31Å; R105-E149 IonicContact CZ-OE1 2.61Å; R105-E149 IonicContact NE-OE1 3.71Å; R105-E149 IonicContact NH1-OE1 3.76Å; R105-E149 PolarHBondContact NH1-OE1 3.29Å; R105-E149 IonicContact NH1-OE2 3.43Å
106N96.5Very high97.6Very high47 Ų4746.2 Ų46.225%0.25124%0.24SC..Hα-helixtrans-70.8-32.8-177.5-75.2-45000112.5T104 K110T104-N106 VanDerWaalsContact C-N 3.35Å; T104-N106 PolarHBondContact O-N 2.81Å; N106-K110 WeakPolarHBondContact O-CB 3.44Å; N106-K110 VanDerWaalsContact O-CD 3.3Å; N106-K110 WeakPolarHBondContact O-CD 3.32Å; N106-K110 WeakPolarHBondContact O-CG 3.32Å; N106-K110 PolarHBondContact O-N 3.47Å
107E97.6Very high97.6Very high95 Ų9543.6 Ų43.644%0.44423%0.228SC..Hα-helixtrans-77.7-37.1176.2-53.4-161.8179.100111.5W55 T104 L109 K110 A111W55-E107 HydrophobicContact CH2-CB 4.28Å; W55-E107 HydrophobicContact CZ2-CB 3.37Å; W55-E107 PolarHBondContact NE1-OE2 3.42Å; T104-E107 PolarHBondContact O-N 3.33Å; T104-E107 VanDerWaalsContact O-N 3.17Å; E107-L109 VanDerWaalsContact C-N 3.31Å; E107-L109 PolarHBondContact O-N 3.39Å; E107-K110 PolarHBondContact O-N 3.09Å; E107-A111 VanDerWaalsContact O-CB 3.28Å; E107-A111 WeakPolarHBondContact O-CB 3.18Å; E107-A111 PolarHBondContact O-N 3.05Å
108F98.2Very high97.7Very high0 Ų044 Ų440%023%0.226CC..Hα-helixtrans-57.7-41170.1-177.7-80000112.3W55 L95 L98 A99 T104 R105 I113 P114 V140 L144W55-F108 HydrophobicContact CZ3-CB 4.31Å; W55-F108 HydrophobicContact CZ3-CD2 4.47Å; L95-F108 HydrophobicContact CB-CE2 3.92Å; L95-F108 HydrophobicContact CB-CZ 4.19Å; L95-F108 HydrophobicContact CD2-CE2 3.84Å; L95-F108 HydrophobicContact CG-CE2 4.44Å; L95-F108 WeakPolarHBondContact O-CE2 3.15Å; L98-F108 HydrophobicContact CB-CD2 3.85Å; L98-F108 HydrophobicContact CB-CE2 4.21Å; A99-F108 HydrophobicContact CB-CD1 4.46Å; A99-F108 HydrophobicContact CB-CE1 4.1Å; A99-F108 HydrophobicContact CB-CZ 4.19Å; T104-F108 VanDerWaalsContact O-CB 3.25Å; T104-F108 WeakPolarHBondContact O-CB 3.46Å; T104-F108 PolarHBondContact O-N 3.21Å; R105-F108 WeakPolarHBondContact O-CB 2.94Å; R105-F108 PolarHBondContact O-N 2.93Å; F108-I113 HydrophobicContact CD1-CB 4.27Å; F108-I113 HydrophobicContact CD2-CB 4.37Å; F108-I113 HydrophobicContact CD2-CD1 3.82Å; F108-I113 HydrophobicContact CD2-CG2 4.26Å; F108-I113 HydrophobicContact CE1-CB 4.09Å; F108-I113 HydrophobicContact CE1-CG2 4Å; F108-I113 HydrophobicContact CE2-CB 4.21Å; F108-I113 HydrophobicContact CE2-CD1 4.2Å; F108-I113 HydrophobicContact CE2-CG2 3.65Å; F108-I113 HydrophobicContact CG-CB 4.4Å; F108-I113 HydrophobicContact CG-CD1 4.2Å; F108-I113 HydrophobicContact CZ-CB 4.06Å; F108-I113 HydrophobicContact CZ-CG2 3.49Å; F108-I113 VanDerWaalsContact CZ-CG2 3.49Å; F108-I113 PolarHBondContact O-N 3.44Å; F108-P114 HydrophobicContact CD1-CG 4.44Å; F108-P114 HydrophobicContact CE1-CG 4.01Å; F108-V140 HydrophobicContact CE1-CG1 4.2Å; F108-V140 HydrophobicContact CZ-CG1 3.74Å; F108-L144 HydrophobicContact CD1-CD2 4.12Å; F108-L144 HydrophobicContact CE1-CD1 4.31Å; F108-L144 HydrophobicContact CE1-CD2 4.29Å
109L97.1Very high97.6Very high10 Ų1046.8 Ų46.85%0.05224%0.244CC..Hα-helixtrans-68-49.5175.1-163.473.2000111.4R105 E107 A111 N112 L144 E151 V152 F155R105-L109 WeakPolarHBondContact O-CB 3.49Å; R105-L109 PolarHBondContact O-N 3.41Å; E107-L109 VanDerWaalsContact C-N 3.31Å; E107-L109 PolarHBondContact O-N 3.39Å; L109-A111 PolarHBondContact O-N 3.08Å; L109-N112 WeakPolarHBondContact O-CA 3.49Å; L109-N112 PolarHBondContact O-N 2.82Å; L109-L144 HydrophobicContact CD1-CD1 4.48Å; L109-E151 HydrophobicContact CD2-CB 4.29Å; L109-V152 HydrophobicContact CD2-CG2 4.07Å; L109-F155 HydrophobicContact CD1-CB 3.93Å; L109-F155 HydrophobicContact CD1-CD1 3.5Å; L109-F155 HydrophobicContact CD1-CD2 4.07Å; L109-F155 HydrophobicContact CD1-CE1 4.04Å; L109-F155 HydrophobicContact CD1-CG 3.54Å; L109-F155 HydrophobicContact CD2-CB 4.11Å; L109-F155 HydrophobicContact CD2-CG 4.47Å; L109-F155 HydrophobicContact CG-CB 4.15Å; L109-F155 HydrophobicContact CG-CD1 4.4Å; L109-F155 HydrophobicContact CG-CD2 4.12Å; L109-F155 HydrophobicContact CG-CG 3.95Å
110K97.4Very high97.6Very high145 Ų14546.8 Ų46.863%0.6324%0.244SC*.Hα-helixtrans-62.4-29.1178.2-72.3164.3-170.9172.60113.1N106 E107 N112N106-K110 WeakPolarHBondContact O-CB 3.44Å; N106-K110 VanDerWaalsContact O-CD 3.3Å; N106-K110 WeakPolarHBondContact O-CD 3.32Å; N106-K110 WeakPolarHBondContact O-CG 3.32Å; N106-K110 PolarHBondContact O-N 3.47Å; E107-K110 PolarHBondContact O-N 3.09Å; K110-N112 PolarHBondContact O-N 3.19Å; K110-N112 PolarHBondContact O-ND2 3.46Å; K110-N112 VanDerWaalsContact O-ND2 3.16Å
111A98Very high97.7Very high48 Ų4843.9 Ų43.940%0.39722%0.223SC..THydrogen-bonded Turntrans-75.9-0.2172.400000114.1W55 E107 L109 I113W55-A111 HydrophobicContact CH2-CB 3.89Å; E107-A111 VanDerWaalsContact O-CB 3.28Å; E107-A111 WeakPolarHBondContact O-CB 3.18Å; E107-A111 PolarHBondContact O-N 3.05Å; L109-A111 PolarHBondContact O-N 3.08Å; A111-I113 HydrophobicContact CB-CD1 4.05Å; A111-I113 HydrophobicContact CB-CG1 3.91Å; A111-I113 PolarHBondContact O-N 2.94Å; A111-I113 VanDerWaalsContact O-N 3.14Å
112N97.9Very high97.6Very high77 Ų7747.8 Ų47.841%0.41225%0.245SC..THydrogen-bonded Turntrans58.321.4179.6-57.4-82.4000114.6L109 K110 P114 L115L109-N112 WeakPolarHBondContact O-CA 3.49Å; L109-N112 PolarHBondContact O-N 2.82Å; K110-N112 PolarHBondContact O-N 3.19Å; K110-N112 PolarHBondContact O-ND2 3.46Å; K110-N112 VanDerWaalsContact O-ND2 3.16Å; N112-P114 VanDerWaalsContact C-N 3.32Å; N112-L115 HydrophobicContact CB-CD1 3.96Å; N112-L115 HydrophobicContact CB-CG 4.27Å; N112-L115 WeakPolarHBondContact O-CB 3.44Å; N112-L115 WeakPolarHBondContact O-CG 3.26Å; N112-L115 PolarHBondContact O-N 2.8Å; N112-L115 VanDerWaalsContact O-N 3.08Å
113I98.4Very high97.6Very high2 Ų244.7 Ų44.71%0.0123%0.225CC..G310 helixtrans-54.4-37.3-177.4-65.6174.7000113.6W55 I61 L65 L95 F108 A111 L115 Y116W55-I113 HydrophobicContact CH2-CD1 3.98Å; W55-I113 HydrophobicContact CZ3-CD1 3.61Å; I61-I113 HydrophobicContact CG2-CD1 3.84Å; L65-I113 HydrophobicContact CD2-CG1 4.42Å; L65-I113 HydrophobicContact CD2-CG2 4.17Å; L95-I113 HydrophobicContact CD1-CG2 4.46Å; L95-I113 HydrophobicContact CD2-CG2 4.35Å; F108-I113 HydrophobicContact CD1-CB 4.27Å; F108-I113 HydrophobicContact CD2-CB 4.37Å; F108-I113 HydrophobicContact CD2-CD1 3.82Å; F108-I113 HydrophobicContact CD2-CG2 4.26Å; F108-I113 HydrophobicContact CE1-CB 4.09Å; F108-I113 HydrophobicContact CE1-CG2 4Å; F108-I113 HydrophobicContact CE2-CB 4.21Å; F108-I113 HydrophobicContact CE2-CD1 4.2Å; F108-I113 HydrophobicContact CE2-CG2 3.65Å; F108-I113 HydrophobicContact CG-CB 4.4Å; F108-I113 HydrophobicContact CG-CD1 4.2Å; F108-I113 HydrophobicContact CZ-CB 4.06Å; F108-I113 HydrophobicContact CZ-CG2 3.49Å; F108-I113 VanDerWaalsContact CZ-CG2 3.49Å; F108-I113 PolarHBondContact O-N 3.44Å; A111-I113 HydrophobicContact CB-CD1 4.05Å; A111-I113 HydrophobicContact CB-CG1 3.91Å; A111-I113 PolarHBondContact O-N 2.94Å; A111-I113 VanDerWaalsContact O-N 3.14Å; I113-L115 PolarHBondContact O-N 3.5Å; I113-L115 VanDerWaalsContact O-N 3.13Å; I113-Y116 PolarHBondContact O-N 3.28Å
114P98.2Very high97.5Very high0 Ų045.4 Ų45.40%023%0.233CC..G310 helixtrans-54.1-32.2176.5-30.437.9000114.9F108 N112 Y116 L117 Y118 I141 L144 F155F108-P114 HydrophobicContact CD1-CG 4.44Å; F108-P114 HydrophobicContact CE1-CG 4.01Å; N112-P114 VanDerWaalsContact C-N 3.32Å; P114-Y116 PolarHBondContact O-N 3.38Å; P114-L117 WeakPolarHBondContact O-CB 3.4Å; P114-L117 PolarHBondContact O-N 3.21Å; P114-Y118 HydrophobicContact CB-CE1 4.32Å; P114-Y118 WeakPolarHBondContact O-CD1 3.43Å; P114-Y118 WeakPolarHBondContact O-CE1 3.35Å; P114-I141 HydrophobicContact CB-CD1 3.88Å; P114-L144 HydrophobicContact CG-CD1 3.71Å; P114-F155 HydrophobicContact CB-CE1 3.75Å; P114-F155 HydrophobicContact CB-CZ 4.1Å; P114-F155 HydrophobicContact CG-CE1 3.8Å; P114-F155 HydrophobicContact CG-CZ 4.08Å
115L98.2Very high97.3Very high69 Ų6947.2 Ų47.236%0.36124%0.242SC..G310 helixtrans-64.3-30.3-175.8-54.8-173.7000112.4N112 I113 L117 Y118 F155N112-L115 HydrophobicContact CB-CD1 3.96Å; N112-L115 HydrophobicContact CB-CG 4.27Å; N112-L115 WeakPolarHBondContact O-CB 3.44Å; N112-L115 WeakPolarHBondContact O-CG 3.26Å; N112-L115 PolarHBondContact O-N 2.8Å; N112-L115 VanDerWaalsContact O-N 3.08Å; I113-L115 PolarHBondContact O-N 3.5Å; I113-L115 VanDerWaalsContact O-N 3.13Å; L115-L117 PolarHBondContact O-N 2.95Å; L115-Y118 HydrophobicContact CD2-CE2 4.24Å; L115-Y118 PolarHBondContact O-N 3.13Å; L115-Y118 VanDerWaalsContact O-N 3.17Å; L115-F155 HydrophobicContact CD2-CE1 4.41Å; L115-F155 HydrophobicContact CD2-CZ 3.87Å; L115-F155 HydrophobicContact CG-CZ 4.13Å
116Y98.3Very high97.1Very high89 Ų8955.1 Ų55.135%0.34927%0.272SS..G310 helixtrans-62.4-23.3174.8-70.5-104.4000112.3L65 Y72 I113 P114L65-Y116 HydrophobicContact CD2-CD1 4Å; L65-Y116 HydrophobicContact CD2-CD2 3.98Å; L65-Y116 HydrophobicContact CD2-CE1 4.22Å; L65-Y116 HydrophobicContact CD2-CE2 4.2Å; L65-Y116 HydrophobicContact CD2-CG 3.89Å; Y72-Y116 WeakPolarHBondContact OH-CA 3.27Å; Y72-Y116 WeakPolarHBondContact OH-CB 3.31Å; Y72-Y116 WeakPolarHBondContact OH-CD1 3.48Å; Y72-Y116 PolarHBondContact OH-O 3.09Å; Y72-Y116 VanDerWaalsContact OH-O 3.06Å; I113-Y116 PolarHBondContact O-N 3.28Å; P114-Y116 PolarHBondContact O-N 3.38Å
117L98.4Very high97.1Very high0 Ų056.1 Ų56.10%028%0.28CS..G310 helixtrans-85.7-16.3-179.4-49.3-172.5000112.8I68 L92 P114 L115 T119 F120 L121 V140 I141I68-L117 HydrophobicContact CD1-CD2 3.73Å; I68-L117 HydrophobicContact CG1-CD2 4.41Å; L92-L117 HydrophobicContact CD2-CD2 3.31Å; P114-L117 WeakPolarHBondContact O-CB 3.4Å; P114-L117 PolarHBondContact O-N 3.21Å; L115-L117 PolarHBondContact O-N 2.95Å; L117-T119 VanDerWaalsContact C-N 3.29Å; L117-T119 PolarHBondContact O-N 2.91Å; L117-F120 HydrophobicContact CD2-CD2 4.48Å; L117-F120 WeakPolarHBondContact O-CA 3.39Å; L117-F120 WeakPolarHBondContact O-CB 3.41Å; L117-F120 PolarHBondContact O-N 2.98Å; L117-L121 PolarHBondContact O-N 2.85Å; L117-V140 HydrophobicContact CD1-CB 3.61Å; L117-V140 HydrophobicContact CD1-CG1 3.78Å; L117-V140 HydrophobicContact CD1-CG2 3.86Å; L117-I141 HydrophobicContact CD1-CD1 4.43Å
118Y98Very high97Very high28 Ų2861.7 Ų61.711%0.1130%0.297CS..Hα-helixtrans-69.3-32.3-172.3-75.728.3000111.1P114 L115 F120 L121 N122 I141 L156 S159 I161 L164P114-Y118 HydrophobicContact CB-CE1 4.32Å; P114-Y118 WeakPolarHBondContact O-CD1 3.43Å; P114-Y118 WeakPolarHBondContact O-CE1 3.35Å; L115-Y118 HydrophobicContact CD2-CE2 4.24Å; L115-Y118 PolarHBondContact O-N 3.13Å; L115-Y118 VanDerWaalsContact O-N 3.17Å; Y118-F120 PolarHBondContact O-N 2.99Å; Y118-L121 HydrophobicContact CD1-CD1 4.24Å; Y118-L121 PolarHBondContact O-N 3.46Å; Y118-N122 WeakPolarHBondContact O-CB 3.41Å; Y118-N122 PolarHBondContact O-N 2.92Å; Y118-I141 HydrophobicContact CE1-CD1 4.2Å; Y118-L156 WeakPolarHBondContact OH-CD2 3.41Å; Y118-S159 VanDerWaalsContact CE2-O 3.3Å; Y118-S159 WeakPolarHBondContact CE2-O 3.33Å; Y118-S159 PolarHBondContact OH-OG 3.35Å; Y118-I161 HydrophobicContact CE1-CD1 3.88Å; Y118-I161 HydrophobicContact CE2-CD1 4.38Å; Y118-L164 HydrophobicContact CD1-CD1 4.27Å; Y118-L164 HydrophobicContact CD2-CD1 3.41Å; Y118-L164 VanDerWaalsContact CD2-CD1 3.41Å; Y118-L164 HydrophobicContact CE2-CD1 4.01Å; Y118-L164 HydrophobicContact CG-CD1 3.57Å
119T96.9Very high97Very high59 Ų5962.7 Ų62.736%0.36230%0.304SS..Hα-helixtrans-54.9-35.4168.3-54.50000112.6Y72 I75 L117 T123Y72-T119 HydrophobicContact CD1-CG2 3.84Å; Y72-T119 HydrophobicContact CE1-CG2 4.05Å; Y72-T119 HydrophobicContact CG-CG2 4.46Å; I75-T119 HydrophobicContact CG2-CG2 4.37Å; L117-T119 VanDerWaalsContact C-N 3.29Å; L117-T119 PolarHBondContact O-N 2.91Å; T119-T123 WeakPolarHBondContact O-CG2 3.46Å
120F97.9Very high97Very high0 Ų062.3 Ų62.30%030%0.302CS..Hα-helixtrans-80.4-39.3177.4-59.7-22.4000112.2I68 I71 Y72 I75 V88 L92 L117 Y118 N122 T123 L133 R134I68-F120 HydrophobicContact CB-CE2 4.39Å; I68-F120 HydrophobicContact CB-CZ 4.36Å; I68-F120 HydrophobicContact CG1-CE2 4.23Å; I68-F120 HydrophobicContact CG2-CE2 3.79Å; I68-F120 HydrophobicContact CG2-CZ 3.7Å; I71-F120 HydrophobicContact CB-CE1 4.01Å; I71-F120 HydrophobicContact CB-CZ 3.9Å; I71-F120 HydrophobicContact CG2-CE1 3.67Å; I71-F120 HydrophobicContact CG2-CZ 3.92Å; Y72-F120 AromaticContact CD1-CE1 3.84Å; Y72-F120 HydrophobicContact CD1-CE1 3.84Å; Y72-F120 HydrophobicContact CD1-CZ 4.4Å; Y72-F120 AromaticContact CE1-CE1 3.95Å; Y72-F120 HydrophobicContact CE1-CE1 3.95Å; Y72-F120 HydrophobicContact CE1-CZ 4.25Å; I75-F120 HydrophobicContact CD1-CD1 3.73Å; I75-F120 HydrophobicContact CD1-CE1 3.94Å; I75-F120 HydrophobicContact CG1-CD1 4.09Å; I75-F120 HydrophobicContact CG1-CE1 4.09Å; V88-F120 HydrophobicContact CG2-CE2 4.27Å; V88-F120 HydrophobicContact CG2-CZ 4.38Å; L92-F120 HydrophobicContact CD1-CD2 4.39Å; L92-F120 HydrophobicContact CD1-CE2 4.42Å; L92-F120 HydrophobicContact CD2-CE2 4.46Å; L117-F120 HydrophobicContact CD2-CD2 4.48Å; L117-F120 WeakPolarHBondContact O-CA 3.39Å; L117-F120 WeakPolarHBondContact O-CB 3.41Å; L117-F120 PolarHBondContact O-N 2.98Å; Y118-F120 PolarHBondContact O-N 2.99Å; F120-N122 VanDerWaalsContact C-N 3.31Å; F120-N122 PolarHBondContact O-N 3.46Å; F120-T123 WeakPolarHBondContact O-CB 3.39Å; F120-T123 WeakPolarHBondContact O-CG2 3.36Å; F120-T123 PolarHBondContact O-N 3.01Å; F120-T123 PolarHBondContact O-OG1 3.47Å; F120-L133 HydrophobicContact CB-CD2 4.07Å; F120-L133 HydrophobicContact CB-CG 4.05Å; F120-L133 HydrophobicContact CD1-CD2 3.72Å; F120-L133 HydrophobicContact CD1-CG 4.36Å; F120-L133 HydrophobicContact CD2-CD1 3.76Å; F120-L133 HydrophobicContact CD2-CD2 4.26Å; F120-L133 HydrophobicContact CD2-CG 4.03Å; F120-L133 HydrophobicContact CE1-CD2 4.13Å; F120-L133 HydrophobicContact CE2-CD1 3.86Å; F120-L133 HydrophobicContact CG-CD1 4.13Å; F120-L133 HydrophobicContact CG-CD2 3.77Å; F120-L133 HydrophobicContact CG-CG 3.92Å; F120-L133 HydrophobicContact CZ-CD1 4.32Å; F120-R134 WeakPolarHBondContact O-CG 3.48Å
121L97.8Very high97Very high2 Ų257 Ų571%0.0128%0.279CS..Hα-helixtrans-64-34.7177-63.5-179.8000112.4L117 Y118 T123 L138 I141 I161 L164 I168L117-L121 PolarHBondContact O-N 2.85Å; Y118-L121 HydrophobicContact CD1-CD1 4.24Å; Y118-L121 PolarHBondContact O-N 3.46Å; L121-T123 PolarHBondContact O-N 2.97Å; L121-T123 VanDerWaalsContact O-N 3.11Å; L121-L138 HydrophobicContact CD2-CD2 3.7Å; L121-L138 HydrophobicContact CD2-CG 3.68Å; L121-I141 HydrophobicContact CD1-CG1 4.32Å; L121-I161 HydrophobicContact CD1-CD1 3.93Å; L121-L164 HydrophobicContact CB-CB 4.31Å; L121-L164 HydrophobicContact CB-CD1 4.25Å; L121-L164 HydrophobicContact CD1-CD1 4.36Å; L121-I168 HydrophobicContact CB-CD1 4.32Å; L121-I168 HydrophobicContact CD2-CD1 4.08Å
122N96.1Very high97Very high116 Ų11658.4 Ų58.462%0.6228%0.275SS*.THydrogen-bonded Turntrans-72.65.3178.1-163.233.2000114.4Y118 F120 L164Y118-N122 WeakPolarHBondContact O-CB 3.41Å; Y118-N122 PolarHBondContact O-N 2.92Å; F120-N122 VanDerWaalsContact C-N 3.31Å; F120-N122 PolarHBondContact O-N 3.46Å; N122-L164 HydrophobicContact CB-CD2 3.85Å
123T96.1Very high97Very high15 Ų1554.8 Ų54.89%0.09226%0.255CS..  trans-84.8139.5-178.862.20000112.5I75 T119 F120 L121 F130 R134I75-T123 HydrophobicContact CD1-CG2 4.25Å; I75-T123 HydrophobicContact CG2-CG2 3.55Å; T119-T123 WeakPolarHBondContact O-CG2 3.46Å; F120-T123 WeakPolarHBondContact O-CB 3.39Å; F120-T123 WeakPolarHBondContact O-CG2 3.36Å; F120-T123 PolarHBondContact O-N 3.01Å; F120-T123 PolarHBondContact O-OG1 3.47Å; L121-T123 PolarHBondContact O-N 2.97Å; L121-T123 VanDerWaalsContact O-N 3.11Å; T123-F130 HydrophobicContact CG2-CD1 3.99Å; T123-F130 HydrophobicContact CG2-CE1 3.93Å; T123-R134 WeakPolarHBondContact O-CD 3.48Å; T123-R134 PolarHBondContact O-NH1 3.21Å; T123-R134 WeakPolarHBondContact OG1-CG 3.25Å; T123-R134 PolarHBondContact OG1-NH1 2.97Å
124N94.1Very high97Very high135 Ų13555 Ų5572%0.72226%0.256SS*.  trans-113.2-4.9179.563.86.7000114.3R126N124-R126 PolarHBondContact O-N 3.04Å
125N93.7Very high97Very high38 Ų3857.2 Ų57.220%0.20327%0.267CS..  trans-64.3128.7178.4-176.6-56.6000110.5P78 T127 F130 R134P78-N125 HydrophobicContact CB-CB 4.08Å; N125-T127 WeakPolarHBondContact OD1-CB 3.41Å; N125-T127 WeakPolarHBondContact OD1-CG2 3.24Å; N125-T127 PolarHBondContact OD1-N 3.02Å; N125-T127 PolarHBondContact OD1-OG1 2.98Å; N125-F130 HydrophobicContact CB-CB 4.23Å; N125-F130 HydrophobicContact CB-CD1 4.15Å; N125-F130 HydrophobicContact CB-CD2 3.86Å; N125-F130 HydrophobicContact CB-CE1 4.48Å; N125-F130 HydrophobicContact CB-CE2 4.2Å; N125-F130 HydrophobicContact CB-CG 3.82Å; N125-F130 VanDerWaalsContact O-CB 3.24Å; N125-F130 WeakPolarHBondContact O-CB 3.4Å; N125-R134 PolarHBondContact O-NH1 3.33Å; N125-R134 PolarHBondContact O-NH2 3Å
126R94.2Very high97Very high182 Ų18254.7 Ų54.769%0.68726%0.255SS*.  trans-94.610.7-172.7-72-179.2166166.6-4.7115.1N124 S171N124-R126 PolarHBondContact O-N 3.04Å; R126-S171 PolarHBondContact NH2-O 2.85Å
127T96.3Very high97.1Very high68 Ų6850.4 Ų50.442%0.41724%0.238SC..SBendtrans-71.1151.517359.90000111.1N125 P129 F130 E131N125-T127 WeakPolarHBondContact OD1-CB 3.41Å; N125-T127 WeakPolarHBondContact OD1-CG2 3.24Å; N125-T127 PolarHBondContact OD1-N 3.02Å; N125-T127 PolarHBondContact OD1-OG1 2.98Å; T127-P129 VanDerWaalsContact C-N 3.34Å; T127-F130 PolarHBondContact O-N 3.32Å; T127-F130 WeakPolarHBondContact OG1-CD2 3.27Å; T127-E131 PolarHBondContact O-N 3.22Å
128R96.4Very high97.1Very high213 Ų21350.5 Ų50.580%0.80424%0.238SC*.Hα-helixtrans-52.1-38.6-177.9-171.8173.5178.9164.3-0.2114.7F130 Y132R128-F130 PolarHBondContact O-N 3.29Å; R128-Y132 WeakPolarHBondContact O-CB 3.49Å; R128-Y132 PolarHBondContact O-N 2.94Å
129P97.9Very high97.1Very high21 Ų2149.7 Ų49.714%0.13624%0.239CC..Hα-helixtrans-61.6-38.2175.8-25.136.5000113.8L80 A82 S85 T127 L133L80-P129 HydrophobicContact CD2-CB 4.23Å; L80-P129 HydrophobicContact CG-CB 4.14Å; A82-P129 HydrophobicContact CB-CG 4.21Å; S85-P129 PolarHBondContact OG-O 3.13Å; T127-P129 VanDerWaalsContact C-N 3.34Å; P129-L133 VanDerWaalsContact O-CB 3.29Å; P129-L133 WeakPolarHBondContact O-CB 3.37Å; P129-L133 PolarHBondContact O-N 2.81Å; P129-L133 VanDerWaalsContact O-N 3.11Å
130F97.8Very high97.2Very high2 Ų246.9 Ų46.91%0.00922%0.222CC..Hα-helixtrans-78.6-39.3178.5-84.2-86.9000112.7I75 P78 L80 T123 N125 T127 R128 L133 R134I75-F130 HydrophobicContact CD1-CE1 3.82Å; I75-F130 HydrophobicContact CD1-CZ 4.47Å; P78-F130 HydrophobicContact CB-CE1 4.26Å; P78-F130 HydrophobicContact CB-CE2 3.72Å; P78-F130 HydrophobicContact CB-CZ 3.45Å; P78-F130 VanDerWaalsContact CB-CZ 3.45Å; L80-F130 HydrophobicContact CB-CD2 4.14Å; L80-F130 HydrophobicContact CB-CE2 3.52Å; L80-F130 HydrophobicContact CB-CZ 3.77Å; L80-F130 HydrophobicContact CD2-CD2 4.44Å; L80-F130 HydrophobicContact CD2-CE2 4.46Å; T123-F130 HydrophobicContact CG2-CD1 3.99Å; T123-F130 HydrophobicContact CG2-CE1 3.93Å; N125-F130 HydrophobicContact CB-CB 4.23Å; N125-F130 HydrophobicContact CB-CD1 4.15Å; N125-F130 HydrophobicContact CB-CD2 3.86Å; N125-F130 HydrophobicContact CB-CE1 4.48Å; N125-F130 HydrophobicContact CB-CE2 4.2Å; N125-F130 HydrophobicContact CB-CG 3.82Å; N125-F130 VanDerWaalsContact O-CB 3.24Å; N125-F130 WeakPolarHBondContact O-CB 3.4Å; T127-F130 PolarHBondContact O-N 3.32Å; T127-F130 WeakPolarHBondContact OG1-CD2 3.27Å; R128-F130 PolarHBondContact O-N 3.29Å; F130-L133 PolarHBondContact O-N 3.48Å; F130-R134 PolarHBondContact O-N 3.05Å
131E97.1Very high97.2Very high33 Ų3346.9 Ų46.915%0.15422%0.222CC..Hα-helixtrans-58.2-46.3171.8-79.3-68.8136.600111.6T127 R134 L135 S173T127-E131 PolarHBondContact O-N 3.22Å; E131-R134 PolarHBondContact O-N 2.96Å; E131-R134 IonicContact OE1-CZ 2.62Å; E131-R134 IonicContact OE1-NH2 2.71Å; E131-R134 PolarHBondContact OE1-NH2 3.29Å; E131-L135 WeakPolarHBondContact O-CB 3.44Å; E131-L135 PolarHBondContact O-N 3.33Å; E131-S173 WeakPolarHBondContact OE2-CB 3.28Å; E131-S173 PolarHBondContact OE2-OG 2.91Å
132Y97.7Very high97.2Very high78 Ų7847.2 Ų47.231%0.30623%0.225SC..Hα-helixtrans-67.1-41.6178.5-176.5-141.7000112.2N86 C89 R128 R134 L135 T136N86-Y132 WeakPolarHBondContact OD1-CE1 3.29Å; C89-Y132 HydrophobicContact CB-CD1 4.23Å; C89-Y132 HydrophobicContact CB-CE1 3.58Å; R128-Y132 WeakPolarHBondContact O-CB 3.49Å; R128-Y132 PolarHBondContact O-N 2.94Å; Y132-R134 PolarHBondContact O-N 2.73Å; Y132-L135 PolarHBondContact O-N 3.11Å; Y132-T136 VanDerWaalsContact CE2-OG1 3.29Å; Y132-T136 WeakPolarHBondContact CE2-OG1 3.5Å; Y132-T136 PolarHBondContact O-N 3.44Å; Y132-T136 PolarHBondContact O-OG1 3.34Å; Y132-T136 VanDerWaalsContact O-OG1 3.1Å
133L98.4Very high97.3Very high0 Ų042.1 Ų42.10%020%0.2CC..Hα-helixtrans-58.9-46175.6-176.367.9000112.1I71 I75 L80 V88 L92 F120 P129 F130 S137I71-L133 HydrophobicContact CG2-CD2 4.41Å; I75-L133 HydrophobicContact CD1-CD2 3.77Å; L80-L133 HydrophobicContact CD2-CB 4.45Å; L80-L133 HydrophobicContact CD2-CD2 3.75Å; V88-L133 HydrophobicContact CG1-CD1 3.51Å; L92-L133 HydrophobicContact CD1-CD1 3.88Å; F120-L133 HydrophobicContact CB-CD2 4.07Å; F120-L133 HydrophobicContact CB-CG 4.05Å; F120-L133 HydrophobicContact CD1-CD2 3.72Å; F120-L133 HydrophobicContact CD1-CG 4.36Å; F120-L133 HydrophobicContact CD2-CD1 3.76Å; F120-L133 HydrophobicContact CD2-CD2 4.26Å; F120-L133 HydrophobicContact CD2-CG 4.03Å; F120-L133 HydrophobicContact CE1-CD2 4.13Å; F120-L133 HydrophobicContact CE2-CD1 3.86Å; F120-L133 HydrophobicContact CG-CD1 4.13Å; F120-L133 HydrophobicContact CG-CD2 3.77Å; F120-L133 HydrophobicContact CG-CG 3.92Å; F120-L133 HydrophobicContact CZ-CD1 4.32Å; P129-L133 VanDerWaalsContact O-CB 3.29Å; P129-L133 WeakPolarHBondContact O-CB 3.37Å; P129-L133 PolarHBondContact O-N 2.81Å; P129-L133 VanDerWaalsContact O-N 3.11Å; F130-L133 PolarHBondContact O-N 3.48Å; L133-S137 VanDerWaalsContact O-CB 3.32Å; L133-S137 WeakPolarHBondContact O-CB 3.49Å; L133-S137 PolarHBondContact O-N 3.42Å; L133-S137 PolarHBondContact O-OG 3.34Å
134R98.2Very high97.4Very high6 Ų641.4 Ų41.42%0.02320%0.195CC..Hα-helixtrans-61.5-48.2175-78.6-169.1-66-84.82.6111.6F120 T123 N125 F130 E131 Y132 T136 S137 L138F120-R134 WeakPolarHBondContact O-CG 3.48Å; T123-R134 WeakPolarHBondContact O-CD 3.48Å; T123-R134 PolarHBondContact O-NH1 3.21Å; T123-R134 WeakPolarHBondContact OG1-CG 3.25Å; T123-R134 PolarHBondContact OG1-NH1 2.97Å; N125-R134 PolarHBondContact O-NH1 3.33Å; N125-R134 PolarHBondContact O-NH2 3Å; F130-R134 PolarHBondContact O-N 3.05Å; E131-R134 PolarHBondContact O-N 2.96Å; E131-R134 IonicContact OE1-CZ 2.62Å; E131-R134 IonicContact OE1-NH2 2.71Å; E131-R134 PolarHBondContact OE1-NH2 3.29Å; Y132-R134 PolarHBondContact O-N 2.73Å; R134-T136 PolarHBondContact O-N 3.32Å; R134-S137 PolarHBondContact O-N 2.84Å; R134-L138 WeakPolarHBondContact O-CB 3.41Å; R134-L138 VanDerWaalsContact O-CG 3.3Å; R134-L138 WeakPolarHBondContact O-CG 3.32Å; R134-L138 PolarHBondContact O-N 3.47Å
135L98.3Very high97.6Very high47 Ų4735 Ų3525%0.24616%0.161CC..Hα-helixtrans-61.4-43.4-178.5-176.660.9000112.3E131 Y132 L138 G139 L175 V179E131-L135 WeakPolarHBondContact O-CB 3.44Å; E131-L135 PolarHBondContact O-N 3.33Å; Y132-L135 PolarHBondContact O-N 3.11Å; L135-L138 PolarHBondContact O-N 3.22Å; L135-G139 PolarHBondContact O-N 3.02Å; L135-L175 HydrophobicContact CD1-CB 3.99Å; L135-L175 HydrophobicContact CD2-CB 4.06Å; L135-L175 HydrophobicContact CD2-CD1 4.07Å; L135-V179 HydrophobicContact CD1-CG2 4.07Å
136T98.5Very high97.8Very high16 Ų1638.8 Ų38.810%0.09818%0.176CC..Hα-helixtrans-69.5-37.3177.1-510000111.6C89 L92 Y132 R134 G139 V140C89-T136 HydrophobicContact CB-CG2 4.21Å; L92-T136 HydrophobicContact CB-CG2 3.57Å; L92-T136 HydrophobicContact CD1-CG2 4.18Å; Y132-T136 VanDerWaalsContact CE2-OG1 3.29Å; Y132-T136 WeakPolarHBondContact CE2-OG1 3.5Å; Y132-T136 PolarHBondContact O-N 3.44Å; Y132-T136 PolarHBondContact O-OG1 3.34Å; Y132-T136 VanDerWaalsContact O-OG1 3.1Å; R134-T136 PolarHBondContact O-N 3.32Å; T136-G139 WeakPolarHBondContact O-CA 3.3Å; T136-G139 PolarHBondContact O-N 3.3Å; T136-G139 VanDerWaalsContact O-N 3.07Å; T136-V140 PolarHBondContact O-N 2.96Å
137S98.7Very high97.8Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-62.8-44.3174.3-57.50000112.1L133 R134 G139 V140 I141L133-S137 VanDerWaalsContact O-CB 3.32Å; L133-S137 WeakPolarHBondContact O-CB 3.49Å; L133-S137 PolarHBondContact O-N 3.42Å; L133-S137 PolarHBondContact O-OG 3.34Å; R134-S137 PolarHBondContact O-N 2.84Å; S137-G139 PolarHBondContact O-N 3.06Å; S137-V140 PolarHBondContact O-N 3.36Å; S137-I141 PolarHBondContact O-N 3.28Å
138L98.6Very high97.8Very high1 Ų133.7 Ų33.71%0.00516%0.161CC..Hα-helixtrans-60.8-32.5171.2-71.7168.1000111.9L121 R134 L135 V140 I141 G142 I168 V179 A180 I183L121-L138 HydrophobicContact CD2-CD2 3.7Å; L121-L138 HydrophobicContact CD2-CG 3.68Å; R134-L138 WeakPolarHBondContact O-CB 3.41Å; R134-L138 VanDerWaalsContact O-CG 3.3Å; R134-L138 WeakPolarHBondContact O-CG 3.32Å; R134-L138 PolarHBondContact O-N 3.47Å; L135-L138 PolarHBondContact O-N 3.22Å; L138-V140 VanDerWaalsContact C-N 3.31Å; L138-V140 PolarHBondContact O-N 2.91Å; L138-I141 PolarHBondContact O-N 3.28Å; L138-G142 WeakPolarHBondContact O-CA 3.45Å; L138-G142 PolarHBondContact O-N 2.91Å; L138-I168 HydrophobicContact CD1-CD1 4.2Å; L138-I168 HydrophobicContact CD1-CG2 4.09Å; L138-I168 HydrophobicContact CD2-CD1 4.05Å; L138-I168 HydrophobicContact CG-CD1 4.37Å; L138-V179 HydrophobicContact CB-CB 4.19Å; L138-V179 HydrophobicContact CB-CG1 3.76Å; L138-A180 HydrophobicContact CD2-CB 4.29Å; L138-I183 HydrophobicContact CD2-CD1 3.91Å
139G98.5Very high97.8Very high12 Ų1225.7 Ų25.712%0.12413%0.133CC..Hα-helixtrans-59-39.1174.100000113.3Q96 L135 T136 S137 A143Q96-G139 VanDerWaalsContact NE2-C 3.31Å; Q96-G139 PolarHBondContact NE2-O 3.4Å; L135-G139 PolarHBondContact O-N 3.02Å; T136-G139 WeakPolarHBondContact O-CA 3.3Å; T136-G139 PolarHBondContact O-N 3.3Å; T136-G139 VanDerWaalsContact O-N 3.07Å; S137-G139 PolarHBondContact O-N 3.06Å; G139-A143 WeakPolarHBondContact O-CB 3.47Å; G139-A143 PolarHBondContact O-N 3.46Å
140V98.7Very high97.7Very high0 Ų028.9 Ų28.90%015%0.154CC..Hα-helixtrans-67-49.8175.9-172.60000111L92 Q96 A99 F108 L117 T136 S137 L138 G142 A143 L144L92-V140 HydrophobicContact CB-CG2 4.46Å; L92-V140 WeakPolarHBondContact O-CG2 3.37Å; Q96-V140 HydrophobicContact CB-CG2 4.1Å; A99-V140 HydrophobicContact CB-CG1 4.11Å; F108-V140 HydrophobicContact CE1-CG1 4.2Å; F108-V140 HydrophobicContact CZ-CG1 3.74Å; L117-V140 HydrophobicContact CD1-CB 3.61Å; L117-V140 HydrophobicContact CD1-CG1 3.78Å; L117-V140 HydrophobicContact CD1-CG2 3.86Å; T136-V140 PolarHBondContact O-N 2.96Å; S137-V140 PolarHBondContact O-N 3.36Å; L138-V140 VanDerWaalsContact C-N 3.31Å; L138-V140 PolarHBondContact O-N 2.91Å; V140-G142 VanDerWaalsContact C-N 3.31Å; V140-G142 PolarHBondContact O-N 3.32Å; V140-A143 WeakPolarHBondContact O-CB 3.32Å; V140-A143 PolarHBondContact O-N 3.13Å; V140-A143 VanDerWaalsContact O-N 3.15Å; V140-L144 PolarHBondContact O-N 2.92Å
141I98.6Very high97.6Very high0 Ų034.1 Ų34.10%018%0.178CC..Hα-helixtrans-63.2-40.4178.2-52.5-56000110.9P114 L117 Y118 L121 S137 L138 A143 L144 V145 L156 I161 I183P114-I141 HydrophobicContact CB-CD1 3.88Å; L117-I141 HydrophobicContact CD1-CD1 4.43Å; Y118-I141 HydrophobicContact CE1-CD1 4.2Å; L121-I141 HydrophobicContact CD1-CG1 4.32Å; S137-I141 PolarHBondContact O-N 3.28Å; L138-I141 PolarHBondContact O-N 3.28Å; I141-A143 VanDerWaalsContact C-N 3.3Å; I141-A143 PolarHBondContact O-N 3.33Å; I141-L144 WeakPolarHBondContact O-CB 3.28Å; I141-L144 PolarHBondContact O-N 3.46Å; I141-V145 PolarHBondContact O-N 2.86Å; I141-V145 VanDerWaalsContact O-N 3.14Å; I141-L156 HydrophobicContact CG2-CD1 4.16Å; I141-L156 HydrophobicContact CG2-CD2 4.14Å; I141-I161 HydrophobicContact CG2-CD1 4.26Å; I141-I161 HydrophobicContact CG2-CG1 4.34Å; I141-I183 HydrophobicContact CB-CD1 3.94Å; I141-I183 HydrophobicContact CG2-CD1 3.84Å; I141-I183 HydrophobicContact CG2-CG1 4.29Å; I141-I183 HydrophobicContact CG2-CG2 4.18Å
142G98.4Very high97.6Very high8 Ų832.6 Ų32.68%0.08217%0.171CC..Hα-helixtrans-60.4-35174.200000113.4L138 V140 K146L138-G142 WeakPolarHBondContact O-CA 3.45Å; L138-G142 PolarHBondContact O-N 2.91Å; V140-G142 VanDerWaalsContact C-N 3.31Å; V140-G142 PolarHBondContact O-N 3.32Å; G142-K146 WeakPolarHBondContact O-CB 3.35Å; G142-K146 PolarHBondContact O-N 2.96Å
143A98.1Very high97.6Very high10 Ų1029 Ų298%0.08316%0.157CC..Hα-helixtrans-69.5-37.6175.200000112.5Q96 A99 G139 V140 I141 K146Q96-A143 HydrophobicContact CG-CB 3.81Å; A99-A143 HydrophobicContact CB-CB 4.12Å; G139-A143 WeakPolarHBondContact O-CB 3.47Å; G139-A143 PolarHBondContact O-N 3.46Å; V140-A143 WeakPolarHBondContact O-CB 3.32Å; V140-A143 PolarHBondContact O-N 3.13Å; V140-A143 VanDerWaalsContact O-N 3.15Å; I141-A143 VanDerWaalsContact C-N 3.3Å; I141-A143 PolarHBondContact O-N 3.33Å; A143-K146 WeakPolarHBondContact O-CB 3.44Å
144L98.2Very high97.6Very high0 Ų031.8 Ų31.80%018%0.18CC..Hα-helixtrans-62.4-57.8174.4-64.9173.4000111.1A99 R105 F108 L109 P114 V140 I141 K146 T147 V152A99-L144 HydrophobicContact CB-CD2 3.52Å; A99-L144 HydrophobicContact CB-CG 3.82Å; R105-L144 HydrophobicContact CG-CD2 3.93Å; F108-L144 HydrophobicContact CD1-CD2 4.12Å; F108-L144 HydrophobicContact CE1-CD1 4.31Å; F108-L144 HydrophobicContact CE1-CD2 4.29Å; L109-L144 HydrophobicContact CD1-CD1 4.48Å; P114-L144 HydrophobicContact CG-CD1 3.71Å; V140-L144 PolarHBondContact O-N 2.92Å; I141-L144 WeakPolarHBondContact O-CB 3.28Å; I141-L144 PolarHBondContact O-N 3.46Å; L144-K146 PolarHBondContact O-N 3.26Å; L144-K146 VanDerWaalsContact O-N 3.1Å; L144-T147 PolarHBondContact O-N 3.33Å; L144-T147 PolarHBondContact O-OG1 3.41Å; L144-V152 HydrophobicContact CB-CG1 3.72Å
145V98.1Very high97.6Very high1 Ų133.3 Ų33.31%0.00619%0.187CC..Hα-helixtrans-67.7-12.3-176.6-59.10000113.9I141 T147 D148 V152 I153 L156 F182 I183 K186I141-V145 PolarHBondContact O-N 2.86Å; I141-V145 VanDerWaalsContact O-N 3.14Å; V145-T147 PolarHBondContact O-N 2.81Å; V145-D148 PolarHBondContact O-N 3.49Å; V145-V152 HydrophobicContact CG1-CG1 4.22Å; V145-I153 HydrophobicContact CG1-CD1 4.48Å; V145-L156 HydrophobicContact CG1-CD1 3.28Å; V145-F182 HydrophobicContact CG2-CD1 4.48Å; V145-F182 HydrophobicContact CG2-CE1 3.95Å; V145-I183 HydrophobicContact CG2-CG1 4.02Å; V145-K186 HydrophobicContact CB-CB 3.8Å; V145-K186 HydrophobicContact CB-CG 4.13Å; V145-K186 HydrophobicContact CG2-CB 3.96Å; V145-K186 HydrophobicContact CG2-CG 3.97Å; V145-K186 VanDerWaalsContact O-CD 3.23Å; V145-K186 WeakPolarHBondContact O-CD 3.29Å; V145-K186 VanDerWaalsContact O-CE 3.28Å; V145-K186 WeakPolarHBondContact O-CE 3.13Å; V145-K186 PolarHBondContact O-NZ 2.86Å; V145-K186 VanDerWaalsContact O-NZ 3.07Å
146K97.1Very high97.6Very high117 Ų11731 Ų3151%0.50918%0.175SC..THydrogen-bonded Turntrans-59.1-27.9176.6-171.6-174.7169-161.60112.5G142 A143 L144 K186 V366G142-K146 WeakPolarHBondContact O-CB 3.35Å; G142-K146 PolarHBondContact O-N 2.96Å; A143-K146 WeakPolarHBondContact O-CB 3.44Å; L144-K146 PolarHBondContact O-N 3.26Å; L144-K146 VanDerWaalsContact O-N 3.1Å; K146-K186 VanDerWaalsContact C-NZ 3.33Å; K146-K186 PolarHBondContact O-NZ 2.7Å; K146-V366 HydrophobicContact CD-CG1 4.25Å; K146-V366 VanDerWaalsContact CE-CG1 3.5Å
147T94.9Very high97.5Very high48 Ų4830.8 Ų30.829%0.29417%0.173SC..THydrogen-bonded Turntrans-88.3-8.1-172.258.50000116L144 V145 E149L144-T147 PolarHBondContact O-N 3.33Å; L144-T147 PolarHBondContact O-OG1 3.41Å; V145-T147 PolarHBondContact O-N 2.81Å; T147-E149 VanDerWaalsContact CB-OE1 3.3Å; T147-E149 WeakPolarHBondContact CB-OE1 3.37Å; T147-E149 PolarHBondContact O-N 2.95Å; T147-E149 PolarHBondContact OG1-OE1 3.5Å
148D95.2Very high97.4Very high94 Ų9434.1 Ų34.150%0.50321%0.208SC..  trans60.222.5-178.4-58.3-58.5000114.4V145 K186V145-D148 PolarHBondContact O-N 3.49Å; D148-K186 WeakPolarHBondContact OD1-CD 3.33Å; D148-K186 WeakPolarHBondContact OD1-CE 3.41Å; D148-K186 IonicContact OD1-NZ 2.67Å; D148-K186 PolarHBondContact OD1-NZ 3.02Å; D148-K186 IonicContact OD2-NZ 2.94Å; D148-K186 PolarHBondContact OD2-NZ 3.19Å
149E96Very high97.4Very high46 Ų4635.4 Ų35.422%0.21522%0.217CC..  trans-73126.9177.3-80.3162.2-129.400112.5R105 T147 E151 V152 I153R105-E149 WeakPolarHBondContact CD-OE2 3.31Å; R105-E149 IonicContact CZ-OE1 2.61Å; R105-E149 IonicContact NE-OE1 3.71Å; R105-E149 IonicContact NH1-OE1 3.76Å; R105-E149 PolarHBondContact NH1-OE1 3.29Å; R105-E149 IonicContact NH1-OE2 3.43Å; T147-E149 VanDerWaalsContact CB-OE1 3.3Å; T147-E149 WeakPolarHBondContact CB-OE1 3.37Å; T147-E149 PolarHBondContact O-N 2.95Å; T147-E149 PolarHBondContact OG1-OE1 3.5Å; E149-E151 VanDerWaalsContact C-N 3.31Å; E149-E151 PolarHBondContact O-N 3.42Å; E149-V152 HydrophobicContact CB-CB 4.38Å; E149-V152 HydrophobicContact CB-CG2 4.04Å; E149-V152 WeakPolarHBondContact O-CB 3.28Å; E149-V152 PolarHBondContact O-N 3.11Å; E149-V152 VanDerWaalsContact O-N 3.13Å; E149-I153 PolarHBondContact O-N 2.99Å
150P96.3Very high97.3Very high88 Ų8840.8 Ų40.857%0.57124%0.239SC*.Hα-helixtrans-67.3-28.3-175.826.4-34.6000113.2V152 I153 A154P150-V152 VanDerWaalsContact C-N 3.33Å; P150-V152 PolarHBondContact O-N 2.78Å; P150-I153 PolarHBondContact O-N 3.26Å; P150-A154 WeakPolarHBondContact O-CB 3.47Å; P150-A154 PolarHBondContact O-N 3.11Å
151E96.1Very high97.2Very high111 Ų11140.8 Ų40.852%0.51924%0.239SC..Hα-helixtrans-62.1-40.2173.3-68.4-170.9-15300111.6L109 E149 F155L109-E151 HydrophobicContact CD2-CB 4.29Å; E149-E151 VanDerWaalsContact C-N 3.31Å; E149-E151 PolarHBondContact O-N 3.42Å; E151-F155 WeakPolarHBondContact O-CB 3.38Å; E151-F155 PolarHBondContact O-N 3.28Å
152V97.7Very high97.2Very high1 Ų141.4 Ų41.41%0.00624%0.242CC..Hα-helixtrans-64.6-45175.6172.10000110.8L109 L144 V145 E149 P150 L156L109-V152 HydrophobicContact CD2-CG2 4.07Å; L144-V152 HydrophobicContact CB-CG1 3.72Å; V145-V152 HydrophobicContact CG1-CG1 4.22Å; E149-V152 HydrophobicContact CB-CB 4.38Å; E149-V152 HydrophobicContact CB-CG2 4.04Å; E149-V152 WeakPolarHBondContact O-CB 3.28Å; E149-V152 PolarHBondContact O-N 3.11Å; E149-V152 VanDerWaalsContact O-N 3.13Å; P150-V152 VanDerWaalsContact C-N 3.33Å; P150-V152 PolarHBondContact O-N 2.78Å; V152-L156 HydrophobicContact CG1-CD1 3.87Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CB 3.3Å; V152-L156 VanDerWaalsContact O-CG 3.27Å; V152-L156 WeakPolarHBondContact O-CG 3.47Å; V152-L156 PolarHBondContact O-N 2.7Å
153I97.8Very high97.1Very high3 Ų344 Ų442%0.01526%0.257CS..Hα-helixtrans-63.7-48.8178.7-56-61000110.5V145 E149 P150 F155 L156 L157 L187 D190V145-I153 HydrophobicContact CG1-CD1 4.48Å; E149-I153 PolarHBondContact O-N 2.99Å; P150-I153 PolarHBondContact O-N 3.26Å; I153-F155 PolarHBondContact O-N 3.1Å; I153-L156 PolarHBondContact O-N 2.94Å; I153-L157 HydrophobicContact CG2-CD1 3.8Å; I153-L157 HydrophobicContact CG2-CG 4.23Å; I153-L157 VanDerWaalsContact O-CG 3.29Å; I153-L157 WeakPolarHBondContact O-CG 3.12Å; I153-L157 PolarHBondContact O-N 3.07Å; I153-L187 HydrophobicContact CD1-CD2 4.08Å; I153-L187 HydrophobicContact CG2-CD2 4.12Å; I153-D190 HydrophobicContact CB-CB 4.46Å; I153-D190 HydrophobicContact CG1-CB 4.1Å; I153-D190 HydrophobicContact CG2-CB 3.92Å; I153-D190 WeakPolarHBondContact CG2-OD2 3.38Å
154A97.2Very high97.1Very high58 Ų5844.6 Ų44.648%0.47926%0.258SS..Hα-helixtrans-59.1-43.7179.100000112.4P150 G158P150-A154 WeakPolarHBondContact O-CB 3.47Å; P150-A154 PolarHBondContact O-N 3.11Å; A154-G158 PolarHBondContact O-N 3.45Å
155F97.8Very high97.1Very high38 Ų3844.6 Ų44.617%0.16726%0.258CS..Hα-helixtrans-59.6-47.7173.9171.6-84.4000112.2L109 P114 L115 E151 I153 L157 G158 S159L109-F155 HydrophobicContact CD1-CB 3.93Å; L109-F155 HydrophobicContact CD1-CD1 3.5Å; L109-F155 HydrophobicContact CD1-CD2 4.07Å; L109-F155 HydrophobicContact CD1-CE1 4.04Å; L109-F155 HydrophobicContact CD1-CG 3.54Å; L109-F155 HydrophobicContact CD2-CB 4.11Å; L109-F155 HydrophobicContact CD2-CG 4.47Å; L109-F155 HydrophobicContact CG-CB 4.15Å; L109-F155 HydrophobicContact CG-CD1 4.4Å; L109-F155 HydrophobicContact CG-CD2 4.12Å; L109-F155 HydrophobicContact CG-CG 3.95Å; P114-F155 HydrophobicContact CB-CE1 3.75Å; P114-F155 HydrophobicContact CB-CZ 4.1Å; P114-F155 HydrophobicContact CG-CE1 3.8Å; P114-F155 HydrophobicContact CG-CZ 4.08Å; L115-F155 HydrophobicContact CD2-CE1 4.41Å; L115-F155 HydrophobicContact CD2-CZ 3.87Å; L115-F155 HydrophobicContact CG-CZ 4.13Å; E151-F155 WeakPolarHBondContact O-CB 3.38Å; E151-F155 PolarHBondContact O-N 3.28Å; I153-F155 PolarHBondContact O-N 3.1Å; F155-L157 PolarHBondContact O-N 3.44Å; F155-G158 PolarHBondContact O-N 2.78Å; F155-S159 WeakPolarHBondContact O-CB 3.47Å; F155-S159 PolarHBondContact O-N 3.4Å; F155-S159 PolarHBondContact O-OG 2.86Å
156L98.3Very high97.1Very high0 Ų044.7 Ų44.70%026%0.259CS..Hα-helixtrans-69.5-33.9-175.8-73.5176.3000112.6Y118 I141 V145 V152 I153 S159 E160 I161 L187Y118-L156 WeakPolarHBondContact OH-CD2 3.41Å; I141-L156 HydrophobicContact CG2-CD1 4.16Å; I141-L156 HydrophobicContact CG2-CD2 4.14Å; V145-L156 HydrophobicContact CG1-CD1 3.28Å; V152-L156 HydrophobicContact CG1-CD1 3.87Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CB 3.3Å; V152-L156 VanDerWaalsContact O-CG 3.27Å; V152-L156 WeakPolarHBondContact O-CG 3.47Å; V152-L156 PolarHBondContact O-N 2.7Å; I153-L156 PolarHBondContact O-N 2.94Å; L156-S159 WeakPolarHBondContact CA-OG 3.26Å; L156-S159 PolarHBondContact O-OG 3.47Å; L156-E160 PolarHBondContact O-N 2.99Å; L156-I161 HydrophobicContact CB-CB 4.34Å; L156-I161 HydrophobicContact CB-CG2 3.91Å; L156-I161 HydrophobicContact CD2-CB 4.39Å; L156-I161 HydrophobicContact CD2-CG1 4.42Å; L156-I161 VanDerWaalsContact O-CG2 3.31Å; L156-I161 WeakPolarHBondContact O-CG2 3.5Å; L156-I161 PolarHBondContact O-N 3.36Å; L156-I161 VanDerWaalsContact O-N 3.09Å; L156-L187 HydrophobicContact CB-CD2 4.16Å
157L97.4Very high97.1Very high11 Ų1142.5 Ų42.56%0.05826%0.255CS..Hα-helixtrans-67.9-45.1170.9-65.9171.8000111.4I153 F155 S159 E160 I162 L187 V192 Y196I153-L157 HydrophobicContact CG2-CD1 3.8Å; I153-L157 HydrophobicContact CG2-CG 4.23Å; I153-L157 VanDerWaalsContact O-CG 3.29Å; I153-L157 WeakPolarHBondContact O-CG 3.12Å; I153-L157 PolarHBondContact O-N 3.07Å; F155-L157 PolarHBondContact O-N 3.44Å; L157-S159 VanDerWaalsContact C-N 3.25Å; L157-S159 PolarHBondContact O-N 3.48Å; L157-E160 PolarHBondContact O-N 2.95Å; L157-I162 HydrophobicContact CD2-CD1 3.55Å; L157-I162 HydrophobicContact CD2-CG1 4.47Å; L157-L187 HydrophobicContact CD2-CD2 4.34Å; L157-L187 HydrophobicContact CG-CD2 4.48Å; L157-V192 HydrophobicContact CD1-CB 4.46Å; L157-V192 HydrophobicContact CD1-CG1 4.14Å; L157-Y196 HydrophobicContact CD2-CD1 4.03Å; L157-Y196 HydrophobicContact CD2-CG 4.04Å
158G97.1Very high97.3Very high70 Ų7040.4 Ų40.472%0.72224%0.242SC*.Hα-helixtrans-67.8-20.5179.300000114.7A154 F155A154-G158 PolarHBondContact O-N 3.45Å; F155-G158 PolarHBondContact O-N 2.78Å
159S97.1Very high97.4Very high28 Ų2836 Ų3620%0.19622%0.218CC..THydrogen-bonded Turntrans-98.43.1175.954.40000114.5Y118 F155 L156 L157Y118-S159 VanDerWaalsContact CE2-O 3.3Å; Y118-S159 WeakPolarHBondContact CE2-O 3.33Å; Y118-S159 PolarHBondContact OH-OG 3.35Å; F155-S159 WeakPolarHBondContact O-CB 3.47Å; F155-S159 PolarHBondContact O-N 3.4Å; F155-S159 PolarHBondContact O-OG 2.86Å; L156-S159 WeakPolarHBondContact CA-OG 3.26Å; L156-S159 PolarHBondContact O-OG 3.47Å; L157-S159 VanDerWaalsContact C-N 3.25Å; L157-S159 PolarHBondContact O-N 3.48Å
160E96.3Very high97.4Very high125 Ų12537.8 Ų37.858%0.58423%0.227SC*.THydrogen-bonded Turntrans65.146178.9-49.3-165116.800115.5L156 L157 I162 P163L156-E160 PolarHBondContact O-N 2.99Å; L157-E160 PolarHBondContact O-N 2.95Å; E160-I162 PolarHBondContact O-N 2.94Å; E160-P163 WeakPolarHBondContact O-CD 3.41Å
161I98Very high97.4Very high0 Ų035.6 Ų35.60%021%0.214CC..Hα-helixtrans-62.4-29.1174.1-166.156.9000113.6Y118 L121 I141 L156 L164 C165 I183 L187Y118-I161 HydrophobicContact CE1-CD1 3.88Å; Y118-I161 HydrophobicContact CE2-CD1 4.38Å; L121-I161 HydrophobicContact CD1-CD1 3.93Å; I141-I161 HydrophobicContact CG2-CD1 4.26Å; I141-I161 HydrophobicContact CG2-CG1 4.34Å; L156-I161 HydrophobicContact CB-CB 4.34Å; L156-I161 HydrophobicContact CB-CG2 3.91Å; L156-I161 HydrophobicContact CD2-CB 4.39Å; L156-I161 HydrophobicContact CD2-CG1 4.42Å; L156-I161 VanDerWaalsContact O-CG2 3.31Å; L156-I161 WeakPolarHBondContact O-CG2 3.5Å; L156-I161 PolarHBondContact O-N 3.36Å; L156-I161 VanDerWaalsContact O-N 3.09Å; I161-L164 HydrophobicContact CD1-CD1 4.43Å; I161-L164 WeakPolarHBondContact O-CB 3.48Å; I161-L164 PolarHBondContact O-N 3.49Å; I161-C165 PolarHBondContact O-N 3.46Å; I161-I183 HydrophobicContact CG1-CG2 4.47Å; I161-L187 HydrophobicContact CG2-CD1 3.49Å; I161-L187 VanDerWaalsContact CG2-CD1 3.49Å; I161-L187 HydrophobicContact CG2-CD2 4.39Å
162I97.9Very high97.3Very high13 Ų1330.8 Ų30.87%0.06719%0.194CC..Hα-helixtrans-61.7-50.9-167.8-72.1167.2000112.4L157 E160 L164 C165 L166 M184 L187 Y196 I197L157-I162 HydrophobicContact CD2-CD1 3.55Å; L157-I162 HydrophobicContact CD2-CG1 4.47Å; E160-I162 PolarHBondContact O-N 2.94Å; I162-L164 VanDerWaalsContact C-N 3.28Å; I162-L164 PolarHBondContact O-N 3Å; I162-C165 PolarHBondContact O-N 2.68Å; I162-L166 HydrophobicContact CG2-CD1 3.86Å; I162-L166 HydrophobicContact CG2-CG 4.28Å; I162-L166 WeakPolarHBondContact O-CG 3.44Å; I162-L166 PolarHBondContact O-N 3.29Å; I162-M184 HydrophobicContact CB-SD 4.22Å; I162-M184 HydrophobicContact CG1-CE 4.17Å; I162-M184 HydrophobicContact CG1-SD 3.85Å; I162-M184 HydrophobicContact CG2-CE 3.9Å; I162-M184 HydrophobicContact CG2-SD 4.08Å; I162-L187 HydrophobicContact CG1-CD1 3.91Å; I162-Y196 HydrophobicContact CD1-CD1 3.7Å; I162-Y196 HydrophobicContact CD1-CE1 3.69Å; I162-I197 HydrophobicContact CD1-CD1 3.99Å; I162-I197 HydrophobicContact CD1-CG1 3.78Å
163P97.4Very high97.2Very high62 Ų6232.8 Ų32.840%0.40321%0.208SC..Hα-helixtrans-51.8-42.5173-29.935.6000114.1E160 L166 V167E160-P163 WeakPolarHBondContact O-CD 3.41Å; P163-L166 PolarHBondContact O-N 2.99Å; P163-V167 WeakPolarHBondContact O-CG2 3.29Å; P163-V167 PolarHBondContact O-N 3.3Å; P163-V167 VanDerWaalsContact O-N 3.08Å
164L97.9Very high97.1Very high22 Ų2236.9 Ų36.912%0.11523%0.227CC..Hα-helixtrans-65.3-44.1179.9-60.9173.6000111.5Y118 L121 N122 I161 I162 I168Y118-L164 HydrophobicContact CD1-CD1 4.27Å; Y118-L164 HydrophobicContact CD2-CD1 3.41Å; Y118-L164 VanDerWaalsContact CD2-CD1 3.41Å; Y118-L164 HydrophobicContact CE2-CD1 4.01Å; Y118-L164 HydrophobicContact CG-CD1 3.57Å; L121-L164 HydrophobicContact CB-CB 4.31Å; L121-L164 HydrophobicContact CB-CD1 4.25Å; L121-L164 HydrophobicContact CD1-CD1 4.36Å; N122-L164 HydrophobicContact CB-CD2 3.85Å; I161-L164 HydrophobicContact CD1-CD1 4.43Å; I161-L164 WeakPolarHBondContact O-CB 3.48Å; I161-L164 PolarHBondContact O-N 3.49Å; I162-L164 VanDerWaalsContact C-N 3.28Å; I162-L164 PolarHBondContact O-N 3Å; L164-I168 WeakPolarHBondContact O-CG1 3.43Å; L164-I168 PolarHBondContact O-N 2.7Å
165C98.4Very high97.1Very high0 Ų038.7 Ų38.70%023%0.228CC..Hα-helixtrans-62.8-42.2174.6-71.30000112.3I161 I162 I168 M169 A180 M184I161-C165 PolarHBondContact O-N 3.46Å; I162-C165 PolarHBondContact O-N 2.68Å; C165-I168 PolarHBondContact O-N 3.45Å; C165-M169 WeakPolarHBondContact O-CB 3.44Å; C165-M169 VanDerWaalsContact O-CG 3.23Å; C165-M169 WeakPolarHBondContact O-CG 3.46Å; C165-M169 PolarHBondContact O-N 3.29Å; C165-A180 HydrophobicContact CB-CB 4.38Å; C165-M184 HydrophobicContact CB-CG 3.71Å; C165-M184 HydrophobicContact CB-SD 3.89Å
166L98.1Very high97Very high3 Ų336.9 Ų36.92%0.01622%0.22CC..Hα-helixtrans-63.3-43-179.7-71175.1000112.8I162 P163 I168 M169 E170 V207 V210I162-L166 HydrophobicContact CG2-CD1 3.86Å; I162-L166 HydrophobicContact CG2-CG 4.28Å; I162-L166 WeakPolarHBondContact O-CG 3.44Å; I162-L166 PolarHBondContact O-N 3.29Å; P163-L166 PolarHBondContact O-N 2.99Å; L166-I168 VanDerWaalsContact C-N 3.3Å; L166-I168 PolarHBondContact O-N 3.45Å; L166-M169 HydrophobicContact CD2-CE 4.44Å; L166-M169 HydrophobicContact CD2-SD 4.45Å; L166-M169 PolarHBondContact O-N 3.17Å; L166-E170 PolarHBondContact O-N 3.31Å; L166-V207 HydrophobicContact CD1-CG2 4.02Å; L166-V207 HydrophobicContact CD2-CG2 4.18Å; L166-V210 HydrophobicContact CB-CG2 4.35Å; L166-V210 HydrophobicContact CD2-CB 3.96Å; L166-V210 HydrophobicContact CD2-CG1 4.09Å; L166-V210 HydrophobicContact CD2-CG2 4.1Å
167V97.3Very high97Very high71 Ų7137.5 Ų37.543%0.4322%0.223SC..Hα-helixtrans-60.3-40.6176.1170.20000111.5P163 S171P163-V167 WeakPolarHBondContact O-CG2 3.29Å; P163-V167 PolarHBondContact O-N 3.3Å; P163-V167 VanDerWaalsContact O-N 3.08Å; V167-S171 WeakPolarHBondContact O-CB 3.42Å; V167-S171 PolarHBondContact O-N 3.46Å; V167-S171 PolarHBondContact O-OG 2.83Å
168I97.8Very high97.1Very high4 Ų437.7 Ų37.72%0.02122%0.224CC..Hα-helixtrans-71.8-41.4178-64.9170000111.2L121 L138 L164 C165 L166 E170 S171 G172 K177 A180L121-I168 HydrophobicContact CB-CD1 4.32Å; L121-I168 HydrophobicContact CD2-CD1 4.08Å; L138-I168 HydrophobicContact CD1-CD1 4.2Å; L138-I168 HydrophobicContact CD1-CG2 4.09Å; L138-I168 HydrophobicContact CD2-CD1 4.05Å; L138-I168 HydrophobicContact CG-CD1 4.37Å; L164-I168 WeakPolarHBondContact O-CG1 3.43Å; L164-I168 PolarHBondContact O-N 2.7Å; C165-I168 PolarHBondContact O-N 3.45Å; L166-I168 VanDerWaalsContact C-N 3.3Å; L166-I168 PolarHBondContact O-N 3.45Å; I168-E170 VanDerWaalsContact C-N 3.3Å; I168-E170 PolarHBondContact O-N 3.29Å; I168-S171 PolarHBondContact O-N 3.06Å; I168-G172 PolarHBondContact O-N 3.22Å; I168-K177 WeakPolarHBondContact O-CG 3.24Å; I168-A180 HydrophobicContact CB-CB 4.17Å; I168-A180 HydrophobicContact CG2-CB 3.9Å
169M98Very high97.2Very high1 Ų136.1 Ų36.11%0.00520%0.201CC..Hα-helixtrans-59.5-37.8175.9-79.2169.160.900112.6C165 L166 K177 A180 T181 M184 V210 L211 M214C165-M169 WeakPolarHBondContact O-CB 3.44Å; C165-M169 VanDerWaalsContact O-CG 3.23Å; C165-M169 WeakPolarHBondContact O-CG 3.46Å; C165-M169 PolarHBondContact O-N 3.29Å; L166-M169 HydrophobicContact CD2-CE 4.44Å; L166-M169 HydrophobicContact CD2-SD 4.45Å; L166-M169 PolarHBondContact O-N 3.17Å; M169-K177 WeakPolarHBondContact O-CE 3.48Å; M169-K177 WeakPolarHBondContact O-CG 3.42Å; M169-A180 HydrophobicContact CG-CB 3.79Å; M169-T181 HydrophobicContact CE-CG2 4.11Å; M169-M184 HydrophobicContact CE-CG 4.42Å; M169-M184 HydrophobicContact SD-CB 4.04Å; M169-M184 HydrophobicContact SD-CG 3.48Å; M169-M184 WeakPolarHBondContact SD-CG 3.46Å; M169-V210 HydrophobicContact CB-CG1 3.74Å; M169-V210 HydrophobicContact CE-CG1 4.28Å; M169-L211 HydrophobicContact CE-CD2 3.79Å; M169-M214 HydrophobicContact CB-CE 4.37Å; M169-M214 HydrophobicContact CB-SD 3.81Å; M169-M214 HydrophobicContact CE-CE 4.04Å; M169-M214 HydrophobicContact CE-SD 3.48Å; M169-M214 WeakPolarHBondContact CE-SD 3.45Å; M169-M214 HydrophobicContact CG-CE 4.36Å; M169-M214 HydrophobicContact CG-SD 4.28Å
170E96.5Very high97.2Very high85 Ų8534.8 Ų34.840%0.39719%0.192SC..Hα-helixtrans-72.6-49.2173.1178.2159.9-168.600112L166 I168 K177 V210 K213L166-E170 PolarHBondContact O-N 3.31Å; I168-E170 VanDerWaalsContact C-N 3.3Å; I168-E170 PolarHBondContact O-N 3.29Å; E170-K177 WeakPolarHBondContact O-CE 3.39Å; E170-V210 HydrophobicContact CB-CG1 4.35Å; E170-K213 HydrophobicContact CG-CD 4.32Å; E170-K213 WeakPolarHBondContact OE1-CD 3.5Å; E170-K213 WeakPolarHBondContact OE1-CE 3.4Å; E170-K213 IonicContact OE1-NZ 3.84Å; E170-K213 PolarHBondContact OE1-NZ 3.1Å; E170-K213 IonicContact OE2-NZ 3.15Å; E170-K213 PolarHBondContact OE2-NZ 3.39Å
171S94.9Very high97.3Very high41 Ų4128.9 Ų28.929%0.28716%0.164SC..Hα-helixtrans-117.2-10.2-156.273.70000117.4R126 V167 I168R126-S171 PolarHBondContact NH2-O 2.85Å; V167-S171 WeakPolarHBondContact O-CB 3.42Å; V167-S171 PolarHBondContact O-N 3.46Å; V167-S171 PolarHBondContact O-OG 2.83Å; I168-S171 PolarHBondContact O-N 3.06Å
172G95.3Very high97.4Very high10 Ų1030.5 Ų30.510%0.10317%0.171CC..SBendtrans-85-178.9-177.700000115.4I168 K177I168-G172 PolarHBondContact O-N 3.22Å; G172-K177 WeakPolarHBondContact O-CD 3.49Å; G172-K177 WeakPolarHBondContact O-CE 3.4Å; G172-K177 PolarHBondContact O-NZ 2.69Å
173S95.1Very high97.4Very high44 Ų4429.9 Ų29.931%0.30817%0.168SC..  trans-65159169.552.70000113.2E131 L175 S176 K177E131-S173 WeakPolarHBondContact OE2-CB 3.28Å; E131-S173 PolarHBondContact OE2-OG 2.91Å; S173-L175 VanDerWaalsContact C-N 3.3Å; S173-L175 PolarHBondContact O-N 2.89Å; S173-S176 PolarHBondContact O-N 3.29Å; S173-S176 VanDerWaalsContact O-N 3.09Å; S173-S176 PolarHBondContact OG-OG 3.43Å; S173-K177 WeakPolarHBondContact O-CB 3.46Å; S173-K177 WeakPolarHBondContact O-CG 3.23Å; S173-K177 PolarHBondContact O-N 2.83Å
174E95.3Very high97.5Very high88 Ų8827 Ų2741%0.41115%0.149SC..Hα-helixtrans-51.1-43.9178.7-168.7-158.8166.500113.2K177 T178 S223E174-K177 PolarHBondContact O-N 3.16Å; E174-T178 WeakPolarHBondContact O-CB 3.17Å; E174-T178 PolarHBondContact O-N 3.47Å; E174-T178 PolarHBondContact O-OG1 3.27Å; E174-S223 WeakPolarHBondContact OE1-CB 3.48Å; E174-S223 PolarHBondContact OE1-OG 2.96Å
175L96.3Very high97.5Very high97 Ų9727 Ų2751%0.50815%0.149SC..Hα-helixtrans-65.3-45.8177.9-63.8179.2000111.6L135 S173 T178 V179L135-L175 HydrophobicContact CD1-CB 3.99Å; L135-L175 HydrophobicContact CD2-CB 4.06Å; L135-L175 HydrophobicContact CD2-CD1 4.07Å; S173-L175 VanDerWaalsContact C-N 3.3Å; S173-L175 PolarHBondContact O-N 2.89Å; L175-T178 WeakPolarHBondContact O-CB 3.45Å; L175-T178 PolarHBondContact O-N 3.1Å; L175-V179 PolarHBondContact O-N 3.28Å
176S97.7Very high97.5Very high0 Ų027.8 Ų27.80%015%0.152CC..Hα-helixtrans-64.2-41.6177.9-56.70000111.5S173 T178 V179 A180S173-S176 PolarHBondContact O-N 3.29Å; S173-S176 VanDerWaalsContact O-N 3.09Å; S173-S176 PolarHBondContact OG-OG 3.43Å; S176-T178 VanDerWaalsContact C-N 3.35Å; S176-T178 PolarHBondContact O-N 3.07Å; S176-V179 PolarHBondContact O-N 3.4Å; S176-A180 VanDerWaalsContact O-CB 3.26Å; S176-A180 WeakPolarHBondContact O-CB 3.19Å; S176-A180 PolarHBondContact O-N 3.1Å
177K98.2Very high97.5Very high13 Ų1327.7 Ų27.76%0.05715%0.151CC..Hα-helixtrans-58.2-45.1171.4-74.9173.4164.8146.80111.5I168 M169 E170 G172 S173 E174 A180 T181 H217 L226I168-K177 WeakPolarHBondContact O-CG 3.24Å; M169-K177 WeakPolarHBondContact O-CE 3.48Å; M169-K177 WeakPolarHBondContact O-CG 3.42Å; E170-K177 WeakPolarHBondContact O-CE 3.39Å; G172-K177 WeakPolarHBondContact O-CD 3.49Å; G172-K177 WeakPolarHBondContact O-CE 3.4Å; G172-K177 PolarHBondContact O-NZ 2.69Å; S173-K177 WeakPolarHBondContact O-CB 3.46Å; S173-K177 WeakPolarHBondContact O-CG 3.23Å; S173-K177 PolarHBondContact O-N 2.83Å; E174-K177 PolarHBondContact O-N 3.16Å; K177-A180 PolarHBondContact O-N 3.19Å; K177-T181 WeakPolarHBondContact O-CB 3.3Å; K177-T181 PolarHBondContact O-N 3.14Å; K177-T181 PolarHBondContact O-OG1 3.35Å; K177-H217 PolarHBondContact NZ-CD2 2.67Å; K177-H217 PolarHBondContact NZ-NE2 3.01Å; K177-L226 HydrophobicContact CB-CD1 4.07Å; K177-L226 HydrophobicContact CB-CD2 4.13Å
178T98.3Very high97.5Very high14 Ų1424.3 Ų24.39%0.08613%0.131CC..Hα-helixtrans-61.2-48.6-179.9-58.10000111.3E174 L175 S176 T181 F182 R225E174-T178 WeakPolarHBondContact O-CB 3.17Å; E174-T178 PolarHBondContact O-N 3.47Å; E174-T178 PolarHBondContact O-OG1 3.27Å; L175-T178 WeakPolarHBondContact O-CB 3.45Å; L175-T178 PolarHBondContact O-N 3.1Å; S176-T178 VanDerWaalsContact C-N 3.35Å; S176-T178 PolarHBondContact O-N 3.07Å; T178-T181 PolarHBondContact O-N 2.92Å; T178-F182 WeakPolarHBondContact O-CB 3.43Å; T178-F182 PolarHBondContact O-N 2.99Å; T178-R225 HydrophobicContact CG2-CB 4.37Å
179V98.4Very high97.5Very high38 Ų3826.7 Ų26.723%0.2314%0.143CC..Hα-helixtrans-69.7-40.6179.4-1730000111.9L135 L138 L175 S176 T181 F182 I183L135-V179 HydrophobicContact CD1-CG2 4.07Å; L138-V179 HydrophobicContact CB-CB 4.19Å; L138-V179 HydrophobicContact CB-CG1 3.76Å; L175-V179 PolarHBondContact O-N 3.28Å; S176-V179 PolarHBondContact O-N 3.4Å; V179-T181 VanDerWaalsContact C-N 3.34Å; V179-T181 PolarHBondContact O-N 3.15Å; V179-F182 WeakPolarHBondContact O-CB 3.49Å; V179-F182 PolarHBondContact O-N 3.49Å; V179-I183 HydrophobicContact CG1-CD1 4.17Å; V179-I183 WeakPolarHBondContact O-CG1 3.44Å; V179-I183 PolarHBondContact O-N 3.19Å
180A98.7Very high97.5Very high0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-63.7-38175.700000112.5L138 C165 I168 M169 S176 K177 I183 M184L138-A180 HydrophobicContact CD2-CB 4.29Å; C165-A180 HydrophobicContact CB-CB 4.38Å; I168-A180 HydrophobicContact CB-CB 4.17Å; I168-A180 HydrophobicContact CG2-CB 3.9Å; M169-A180 HydrophobicContact CG-CB 3.79Å; S176-A180 VanDerWaalsContact O-CB 3.26Å; S176-A180 WeakPolarHBondContact O-CB 3.19Å; S176-A180 PolarHBondContact O-N 3.1Å; K177-A180 PolarHBondContact O-N 3.19Å; A180-I183 PolarHBondContact O-N 3.43Å; A180-M184 PolarHBondContact O-N 3.48Å
181T98.6Very high97.6Very high0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-71-36.1175.4-45.30000111.5M169 K177 T178 V179 I183 M184 Q185 M214 L226 H229 V230M169-T181 HydrophobicContact CE-CG2 4.11Å; K177-T181 WeakPolarHBondContact O-CB 3.3Å; K177-T181 PolarHBondContact O-N 3.14Å; K177-T181 PolarHBondContact O-OG1 3.35Å; T178-T181 PolarHBondContact O-N 2.92Å; V179-T181 VanDerWaalsContact C-N 3.34Å; V179-T181 PolarHBondContact O-N 3.15Å; T181-I183 VanDerWaalsContact C-N 3.35Å; T181-M184 PolarHBondContact O-N 3.15Å; T181-Q185 VanDerWaalsContact O-CB 3.32Å; T181-Q185 WeakPolarHBondContact O-CB 3.2Å; T181-Q185 PolarHBondContact O-N 2.94Å; T181-M214 HydrophobicContact CG2-CE 4.04Å; T181-M214 WeakPolarHBondContact OG1-CE 3.44Å; T181-L226 WeakPolarHBondContact OG1-CD1 3.45Å; T181-H229 HydrophobicContact CG2-CB 3.61Å; T181-V230 HydrophobicContact CG2-CG2 4.05Å
182F98.5Very high97.7Very high35 Ų3532.8 Ų32.815%0.15418%0.175CC..Hα-helixtrans-61.2-41.8171.1166.7-102.8000112V145 T178 V179 Q185 K186 H229V145-F182 HydrophobicContact CG2-CD1 4.48Å; V145-F182 HydrophobicContact CG2-CE1 3.95Å; T178-F182 WeakPolarHBondContact O-CB 3.43Å; T178-F182 PolarHBondContact O-N 2.99Å; V179-F182 WeakPolarHBondContact O-CB 3.49Å; V179-F182 PolarHBondContact O-N 3.49Å; F182-Q185 WeakPolarHBondContact O-CB 3.39Å; F182-Q185 PolarHBondContact O-N 3.08Å; F182-K186 HydrophobicContact CD2-CG 4.45Å; F182-K186 HydrophobicContact CE1-CG 4.41Å; F182-K186 HydrophobicContact CE2-CD 4.5Å; F182-K186 HydrophobicContact CE2-CG 3.98Å; F182-K186 HydrophobicContact CZ-CG 3.97Å; F182-K186 WeakPolarHBondContact O-CG 3.49Å; F182-K186 PolarHBondContact O-N 3.25Å; F182-H229 AromaticContact CD2-CE1 3.77Å
183I98.7Very high97.8Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-62.7-49.5174.2-67.1159.7000110.4L138 I141 V145 I161 V179 A180 T181 Q185 K186 L187L138-I183 HydrophobicContact CD2-CD1 3.91Å; I141-I183 HydrophobicContact CB-CD1 3.94Å; I141-I183 HydrophobicContact CG2-CD1 3.84Å; I141-I183 HydrophobicContact CG2-CG1 4.29Å; I141-I183 HydrophobicContact CG2-CG2 4.18Å; V145-I183 HydrophobicContact CG2-CG1 4.02Å; I161-I183 HydrophobicContact CG1-CG2 4.47Å; V179-I183 HydrophobicContact CG1-CD1 4.17Å; V179-I183 WeakPolarHBondContact O-CG1 3.44Å; V179-I183 PolarHBondContact O-N 3.19Å; A180-I183 PolarHBondContact O-N 3.43Å; T181-I183 VanDerWaalsContact C-N 3.35Å; I183-Q185 VanDerWaalsContact C-N 3.28Å; I183-Q185 PolarHBondContact O-N 3.34Å; I183-K186 PolarHBondContact O-N 3.02Å; I183-K186 VanDerWaalsContact O-N 3.13Å; I183-L187 HydrophobicContact CG2-CD1 4.09Å; I183-L187 HydrophobicContact CG2-CG 4.5Å; I183-L187 WeakPolarHBondContact O-CG 3.48Å; I183-L187 PolarHBondContact O-N 3.32Å
184M98.5Very high98Very high2 Ų230.6 Ų30.61%0.0116%0.157CC..Hα-helixtrans-60.1-35.8175.2-74.6-60-61.300113.2I162 C165 M169 A180 T181 L187 L188 I197 V207I162-M184 HydrophobicContact CB-SD 4.22Å; I162-M184 HydrophobicContact CG1-CE 4.17Å; I162-M184 HydrophobicContact CG1-SD 3.85Å; I162-M184 HydrophobicContact CG2-CE 3.9Å; I162-M184 HydrophobicContact CG2-SD 4.08Å; C165-M184 HydrophobicContact CB-CG 3.71Å; C165-M184 HydrophobicContact CB-SD 3.89Å; M169-M184 HydrophobicContact CE-CG 4.42Å; M169-M184 HydrophobicContact SD-CB 4.04Å; M169-M184 HydrophobicContact SD-CG 3.48Å; M169-M184 WeakPolarHBondContact SD-CG 3.46Å; A180-M184 PolarHBondContact O-N 3.48Å; T181-M184 PolarHBondContact O-N 3.15Å; M184-L187 HydrophobicContact SD-CD1 4.03Å; M184-L188 WeakPolarHBondContact O-CB 3.27Å; M184-L188 WeakPolarHBondContact O-CG 3.41Å; M184-L188 PolarHBondContact O-N 3.3Å; M184-I197 HydrophobicContact CE-CD1 3.78Å; M184-V207 HydrophobicContact CE-CG1 4.47Å; M184-V207 HydrophobicContact CE-CG2 4.12Å
185Q98.4Very high98.1Very high21 Ų2129.2 Ų29.210%0.09816%0.161CC..Hα-helixtrans-64.2-44.1174.6-167.8-151.4-81.600111T181 F182 I183 L188 L189 H229 R232 C233T181-Q185 VanDerWaalsContact O-CB 3.32Å; T181-Q185 WeakPolarHBondContact O-CB 3.2Å; T181-Q185 PolarHBondContact O-N 2.94Å; F182-Q185 WeakPolarHBondContact O-CB 3.39Å; F182-Q185 PolarHBondContact O-N 3.08Å; I183-Q185 VanDerWaalsContact C-N 3.28Å; I183-Q185 PolarHBondContact O-N 3.34Å; Q185-L188 PolarHBondContact O-N 3.46Å; Q185-L189 HydrophobicContact CG-CD1 4.43Å; Q185-L189 VanDerWaalsContact O-CG 3.25Å; Q185-L189 WeakPolarHBondContact O-CG 3.45Å; Q185-L189 PolarHBondContact O-N 2.92Å; Q185-H229 PolarHBondContact OE1-ND1 3.16Å; Q185-R232 HydrophobicContact CG-CB 3.99Å; Q185-R232 HydrophobicContact CG-CG 3.73Å; Q185-C233 VanDerWaalsContact CA-SG 3.58Å
186K98.4Very high98.2Very high17 Ų1727.1 Ų27.17%0.07415%0.146CC..Hα-helixtrans-64.7-42.3177.3-77.3-73-1631460112.4V145 K146 D148 F182 I183 L188 L189V145-K186 HydrophobicContact CB-CB 3.8Å; V145-K186 HydrophobicContact CB-CG 4.13Å; V145-K186 HydrophobicContact CG2-CB 3.96Å; V145-K186 HydrophobicContact CG2-CG 3.97Å; V145-K186 VanDerWaalsContact O-CD 3.23Å; V145-K186 WeakPolarHBondContact O-CD 3.29Å; V145-K186 VanDerWaalsContact O-CE 3.28Å; V145-K186 WeakPolarHBondContact O-CE 3.13Å; V145-K186 PolarHBondContact O-NZ 2.86Å; V145-K186 VanDerWaalsContact O-NZ 3.07Å; K146-K186 VanDerWaalsContact C-NZ 3.33Å; K146-K186 PolarHBondContact O-NZ 2.7Å; D148-K186 WeakPolarHBondContact OD1-CD 3.33Å; D148-K186 WeakPolarHBondContact OD1-CE 3.41Å; D148-K186 IonicContact OD1-NZ 2.67Å; D148-K186 PolarHBondContact OD1-NZ 3.02Å; D148-K186 IonicContact OD2-NZ 2.94Å; D148-K186 PolarHBondContact OD2-NZ 3.19Å; F182-K186 HydrophobicContact CD2-CG 4.45Å; F182-K186 HydrophobicContact CE1-CG 4.41Å; F182-K186 HydrophobicContact CE2-CD 4.5Å; F182-K186 HydrophobicContact CE2-CG 3.98Å; F182-K186 HydrophobicContact CZ-CG 3.97Å; F182-K186 WeakPolarHBondContact O-CG 3.49Å; F182-K186 PolarHBondContact O-N 3.25Å; I183-K186 PolarHBondContact O-N 3.02Å; I183-K186 VanDerWaalsContact O-N 3.13Å; K186-L188 PolarHBondContact O-N 3.37Å; K186-L189 HydrophobicContact CD-CD1 4.34Å; K186-L189 PolarHBondContact O-N 2.83Å
187L98.5Very high98.2Very high0 Ų027.1 Ų27.10%015%0.147CC..Hα-helixtrans-60.6-43.3172.5-64168.4000111.6I153 L156 L157 I161 I162 I183 M184 L189 G193I153-L187 HydrophobicContact CD1-CD2 4.08Å; I153-L187 HydrophobicContact CG2-CD2 4.12Å; L156-L187 HydrophobicContact CB-CD2 4.16Å; L157-L187 HydrophobicContact CD2-CD2 4.34Å; L157-L187 HydrophobicContact CG-CD2 4.48Å; I161-L187 HydrophobicContact CG2-CD1 3.49Å; I161-L187 VanDerWaalsContact CG2-CD1 3.49Å; I161-L187 HydrophobicContact CG2-CD2 4.39Å; I162-L187 HydrophobicContact CG1-CD1 3.91Å; I183-L187 HydrophobicContact CG2-CD1 4.09Å; I183-L187 HydrophobicContact CG2-CG 4.5Å; I183-L187 WeakPolarHBondContact O-CG 3.48Å; I183-L187 PolarHBondContact O-N 3.32Å; M184-L187 HydrophobicContact SD-CD1 4.03Å; L187-L189 VanDerWaalsContact C-N 3.35Å; L187-L189 PolarHBondContact O-N 2.95Å; L187-G193 CarbonylContact O-C 3.6Å; L187-G193 VanDerWaalsContact O-CA 3.28Å; L187-G193 WeakPolarHBondContact O-CA 3.34Å
188L98.2Very high98.1Very high1 Ų126.7 Ų26.71%0.00515%0.145CC..Hα-helixtrans-68-30.5176.8-80.9167.7000113.4M184 Q185 K186 D190 L194 I197 C233 R236 L237M184-L188 WeakPolarHBondContact O-CB 3.27Å; M184-L188 WeakPolarHBondContact O-CG 3.41Å; M184-L188 PolarHBondContact O-N 3.3Å; Q185-L188 PolarHBondContact O-N 3.46Å; K186-L188 PolarHBondContact O-N 3.37Å; L188-D190 VanDerWaalsContact C-N 3.29Å; L188-D190 PolarHBondContact O-N 3.43Å; L188-L194 HydrophobicContact CD2-CD1 3.97Å; L188-I197 HydrophobicContact CD2-CB 4.36Å; L188-I197 HydrophobicContact CD2-CD1 3.55Å; L188-I197 HydrophobicContact CD2-CG2 4.32Å; L188-I197 HydrophobicContact CG-CD1 3.8Å; L188-C233 HydrophobicContact CD1-CB 3.79Å; L188-R236 HydrophobicContact CB-CB 4.3Å; L188-R236 HydrophobicContact CB-CG 3.91Å; L188-R236 WeakPolarHBondContact O-CD 3.49Å; L188-R236 WeakPolarHBondContact O-CG 3.35Å; L188-R236 PolarHBondContact O-NE 3.15Å; L188-L237 HydrophobicContact CD1-CG 4.25Å; L188-L237 HydrophobicContact CD2-CD2 3.61Å; L188-L237 HydrophobicContact CD2-CG 4.05Å
189L97.9Very high98.1Very high53 Ų5331.8 Ų31.828%0.27717%0.168SC..Hα-helixtrans-65.3-34.1-179.6-80.6168.8000112.2Q185 K186 L187 R232 R236Q185-L189 HydrophobicContact CG-CD1 4.43Å; Q185-L189 VanDerWaalsContact O-CG 3.25Å; Q185-L189 WeakPolarHBondContact O-CG 3.45Å; Q185-L189 PolarHBondContact O-N 2.92Å; K186-L189 HydrophobicContact CD-CD1 4.34Å; K186-L189 PolarHBondContact O-N 2.83Å; L187-L189 VanDerWaalsContact C-N 3.35Å; L187-L189 PolarHBondContact O-N 2.95Å; L189-R232 VanDerWaalsContact CD2-NH2 3.28Å; L189-R236 PolarHBondContact O-NE 2.76Å; L189-R236 PolarHBondContact O-NH2 2.94Å
190D98Very high98Very high40 Ų4032.5 Ų32.521%0.21417%0.172CC..SBendtrans-71.6148.3171.7173.565.4000112.7I153 L188 V192 G193 L194I153-D190 HydrophobicContact CB-CB 4.46Å; I153-D190 HydrophobicContact CG1-CB 4.1Å; I153-D190 HydrophobicContact CG2-CB 3.92Å; I153-D190 WeakPolarHBondContact CG2-OD2 3.38Å; L188-D190 VanDerWaalsContact C-N 3.29Å; L188-D190 PolarHBondContact O-N 3.43Å; D190-V192 VanDerWaalsContact OD2-CA 3.3Å; D190-V192 WeakPolarHBondContact OD2-CA 3.29Å; D190-V192 WeakPolarHBondContact OD2-CB 3.36Å; D190-V192 PolarHBondContact OD2-N 2.97Å; D190-G193 PolarHBondContact OD2-N 3.37Å; D190-L194 WeakPolarHBondContact O-CB 3.44Å; D190-L194 PolarHBondContact O-N 3.2Å
191E97.3Very high97.8Very high123 Ų12340.9 Ų40.958%0.57521%0.205SC*.Hα-helixtrans-71.6-35-178.9-66-62.4150.900112.5A195 R236E191-A195 WeakPolarHBondContact O-CB 3.46Å; E191-A195 PolarHBondContact O-N 2.97Å; E191-R236 IonicContact OE1-CZ 3.62Å; E191-R236 IonicContact OE1-NH1 2.65Å; E191-R236 PolarHBondContact OE1-NH1 3.22Å; E191-R236 IonicContact OE1-NH2 3.51Å; E191-R236 PolarHBondContact OE1-NH2 3.47Å; E191-R236 IonicContact OE2-NH2 3.54Å
192V97.5Very high97.7Very high92 Ų9248.2 Ų48.256%0.55824%0.24SC*.Hα-helixtrans-70.6-40.2177-1700000110.2L157 D190 A195 Y196L157-V192 HydrophobicContact CD1-CB 4.46Å; L157-V192 HydrophobicContact CD1-CG1 4.14Å; D190-V192 VanDerWaalsContact OD2-CA 3.3Å; D190-V192 WeakPolarHBondContact OD2-CA 3.29Å; D190-V192 WeakPolarHBondContact OD2-CB 3.36Å; D190-V192 PolarHBondContact OD2-N 2.97Å; V192-A195 PolarHBondContact O-N 3.27Å; V192-Y196 VanDerWaalsContact O-CB 3.28Å; V192-Y196 WeakPolarHBondContact O-CB 3.43Å; V192-Y196 PolarHBondContact O-N 3.42Å
193G98Very high97.6Very high0 Ų050.4 Ų50.40%025%0.247CC..Hα-helixtrans-68.3-40.117600000114L187 D190 Y196 I197L187-G193 CarbonylContact O-C 3.6Å; L187-G193 VanDerWaalsContact O-CA 3.28Å; L187-G193 WeakPolarHBondContact O-CA 3.34Å; D190-G193 PolarHBondContact OD2-N 3.37Å; G193-Y196 PolarHBondContact O-N 3.32Å; G193-I197 WeakPolarHBondContact O-CG1 3.45Å; G193-I197 PolarHBondContact O-N 2.95Å; G193-I197 VanDerWaalsContact O-N 3.1Å
194L98.2Very high97.6Very high9 Ų950.9 Ų50.95%0.04725%0.249CC..Hα-helixtrans-60.9-49169.5179.860.7000111.1L188 D190 Y196 I197 C198 L237 D239L188-L194 HydrophobicContact CD2-CD1 3.97Å; D190-L194 WeakPolarHBondContact O-CB 3.44Å; D190-L194 PolarHBondContact O-N 3.2Å; L194-Y196 VanDerWaalsContact C-N 3.33Å; L194-Y196 PolarHBondContact O-N 3.09Å; L194-I197 PolarHBondContact O-N 3.49Å; L194-C198 WeakPolarHBondContact O-CB 3.47Å; L194-C198 PolarHBondContact O-N 3.19Å; L194-L237 HydrophobicContact CD1-CD2 4.4Å; L194-D239 HydrophobicContact CD2-CB 4.24Å
195A97.9Very high97.5Very high58 Ų5851.9 Ų51.948%0.47926%0.257SS..Hα-helixtrans-61.2-38.4178.700000112.8E191 V192 C198 Q199E191-A195 WeakPolarHBondContact O-CB 3.46Å; E191-A195 PolarHBondContact O-N 2.97Å; V192-A195 PolarHBondContact O-N 3.27Å; A195-C198 CarbonylContact O-C 3.51Å; A195-Q199 WeakPolarHBondContact O-CA 3.3Å; A195-Q199 WeakPolarHBondContact O-CB 3.44Å; A195-Q199 PolarHBondContact O-N 2.86Å
196Y97.8Very high97.4Very high53 Ų5355.5 Ų55.521%0.20827%0.274CS..Hα-helixtrans-64-46.2176.3177.9-79.4000112.1L157 I162 V192 G193 L194 Q199 R203L157-Y196 HydrophobicContact CD2-CD1 4.03Å; L157-Y196 HydrophobicContact CD2-CG 4.04Å; I162-Y196 HydrophobicContact CD1-CD1 3.7Å; I162-Y196 HydrophobicContact CD1-CE1 3.69Å; V192-Y196 VanDerWaalsContact O-CB 3.28Å; V192-Y196 WeakPolarHBondContact O-CB 3.43Å; V192-Y196 PolarHBondContact O-N 3.42Å; G193-Y196 PolarHBondContact O-N 3.32Å; L194-Y196 VanDerWaalsContact C-N 3.33Å; L194-Y196 PolarHBondContact O-N 3.09Å; Y196-Q199 VanDerWaalsContact O-CB 3.29Å; Y196-Q199 WeakPolarHBondContact O-CB 3.46Å; Y196-Q199 PolarHBondContact O-N 3.22Å; Y196-R203 VanDerWaalsContact O-CD 3.24Å; Y196-R203 WeakPolarHBondContact O-CD 3.31Å; Y196-R203 PolarHBondContact O-NH1 3.06Å
197I97.9Very high97.4Very high1 Ų154.9 Ų54.91%0.00527%0.272CS..Hα-helixtrans-68.4-41-179.7-72.4168.1000110.6I162 M184 L188 G193 L194 Q199 R203 F204 V207 L237I162-I197 HydrophobicContact CD1-CD1 3.99Å; I162-I197 HydrophobicContact CD1-CG1 3.78Å; M184-I197 HydrophobicContact CE-CD1 3.78Å; L188-I197 HydrophobicContact CD2-CB 4.36Å; L188-I197 HydrophobicContact CD2-CD1 3.55Å; L188-I197 HydrophobicContact CD2-CG2 4.32Å; L188-I197 HydrophobicContact CG-CD1 3.8Å; G193-I197 WeakPolarHBondContact O-CG1 3.45Å; G193-I197 PolarHBondContact O-N 2.95Å; G193-I197 VanDerWaalsContact O-N 3.1Å; L194-I197 PolarHBondContact O-N 3.49Å; I197-Q199 VanDerWaalsContact C-N 3.27Å; I197-Q199 PolarHBondContact O-N 3.41Å; I197-R203 VanDerWaalsContact O-CB 3.27Å; I197-R203 WeakPolarHBondContact O-CB 3.33Å; I197-F204 PolarHBondContact O-N 3.17Å; I197-V207 HydrophobicContact CG2-CB 4.39Å; I197-V207 HydrophobicContact CG2-CG2 3.95Å; I197-L237 HydrophobicContact CG2-CD2 3.98Å
198C97.5Very high97.4Very high4 Ų455.3 Ų55.33%0.02728%0.275CS..THydrogen-bonded Turntrans-82.75176-63.10000113.4L194 A195 D240 R242L194-C198 WeakPolarHBondContact O-CB 3.47Å; L194-C198 PolarHBondContact O-N 3.19Å; A195-C198 CarbonylContact O-C 3.51Å; C198-D240 HydrophobicContact CB-CB 4.22Å; C198-R242 PolarHBondContact O-NH1 3.05Å; C198-R242 PolarHBondContact O-NH2 3.48Å
199Q96.8Very high97.4Very high120 Ų12058.4 Ų58.456%0.56129%0.294SS*.SBendtrans-65.1-44.8-176.1-166.9177.615.600111.7A195 Y196 I197A195-Q199 WeakPolarHBondContact O-CA 3.3Å; A195-Q199 WeakPolarHBondContact O-CB 3.44Å; A195-Q199 PolarHBondContact O-N 2.86Å; Y196-Q199 VanDerWaalsContact O-CB 3.29Å; Y196-Q199 WeakPolarHBondContact O-CB 3.46Å; Y196-Q199 PolarHBondContact O-N 3.22Å; I197-Q199 VanDerWaalsContact C-N 3.27Å; I197-Q199 PolarHBondContact O-N 3.41Å
200T96.7Very high97.4Very high53 Ų5355.9 Ų55.933%0.32528%0.281SS..SBendtrans-122152.6177.474.50000110.7E202 R203 F204T200-E202 PolarHBondContact O-N 2.87Å; T200-R203 PolarHBondContact O-N 3.18Å; T200-R203 PolarHBondContact OG1-N 3.29Å; T200-F204 PolarHBondContact O-N 3.26Å
201Y94.8Very high97.4Very high177 Ų17754 Ų5469%0.69427%0.271SS*.Hα-helixtrans-59.6-36.8176.1179.5-100.4000111.9F204 A205Y201-F204 PolarHBondContact O-N 2.78Å; Y201-A205 HydrophobicContact CD1-CB 4.4Å; Y201-A205 HydrophobicContact CE1-CB 4.09Å; Y201-A205 WeakPolarHBondContact O-CB 3.49Å; Y201-A205 PolarHBondContact O-N 3.34Å
202E96.6Very high97.4Very high154 Ų15450.8 Ų50.872%0.7226%0.258SS*.Hα-helixtrans-63.6-45.1-178.9-60.7175.2153.100112.7T200 A205 H206T200-E202 PolarHBondContact O-N 2.87Å; E202-A205 PolarHBondContact O-N 3.03Å; E202-H206 WeakPolarHBondContact O-CB 3.39Å; E202-H206 PolarHBondContact O-N 3.3Å
203R96.8Very high97.4Very high80 Ų8050.4 Ų50.430%0.30225%0.249SC..Hα-helixtrans-62.3-49.1177-73.5-178.1-172.9161.16.5111.1Y196 I197 T200 H206 V207Y196-R203 VanDerWaalsContact O-CD 3.24Å; Y196-R203 WeakPolarHBondContact O-CD 3.31Å; Y196-R203 PolarHBondContact O-NH1 3.06Å; I197-R203 VanDerWaalsContact O-CB 3.27Å; I197-R203 WeakPolarHBondContact O-CB 3.33Å; T200-R203 PolarHBondContact O-N 3.18Å; T200-R203 PolarHBondContact OG1-N 3.29Å; R203-H206 PolarHBondContact O-N 3.43Å; R203-V207 WeakPolarHBondContact O-CG2 3.15Å; R203-V207 PolarHBondContact O-N 3.42Å; R203-V207 VanDerWaalsContact O-N 3.16Å
204F97.7Very high97.4Very high10 Ų1050.6 Ų50.64%0.04425%0.25CC..Hα-helixtrans-58.2-49.3175.5164.5-96.4000111.5I197 T200 Y201 H206 V207 A208 L237 A243 A246 L247I197-F204 PolarHBondContact O-N 3.17Å; T200-F204 PolarHBondContact O-N 3.26Å; Y201-F204 PolarHBondContact O-N 2.78Å; F204-H206 VanDerWaalsContact C-N 3.33Å; F204-H206 PolarHBondContact O-N 2.97Å; F204-V207 PolarHBondContact O-N 3.06Å; F204-A208 HydrophobicContact CE1-CB 4.4Å; F204-A208 HydrophobicContact CE2-CB 4.41Å; F204-A208 HydrophobicContact CZ-CB 4.14Å; F204-A208 WeakPolarHBondContact O-CB 3.47Å; F204-A208 PolarHBondContact O-N 2.62Å; F204-L237 HydrophobicContact CD2-CD2 4.29Å; F204-A243 HydrophobicContact CD2-CB 3.64Å; F204-A243 HydrophobicContact CE2-CB 3.52Å; F204-A243 HydrophobicContact CZ-CB 4.34Å; F204-A246 HydrophobicContact CD1-CB 4.45Å; F204-A246 HydrophobicContact CE1-CB 3.48Å; F204-A246 VanDerWaalsContact CE1-CB 3.48Å; F204-A246 HydrophobicContact CZ-CB 3.75Å; F204-L247 HydrophobicContact CE2-CG 4.29Å; F204-L247 HydrophobicContact CZ-CD2 4.35Å; F204-L247 HydrophobicContact CZ-CG 4.11Å
205A96.9Very high97.3Very high23 Ų2350.2 Ų50.219%0.1925%0.247CC..Hα-helixtrans-63.9-37.5-176.800000112.1Y201 E202 T209Y201-A205 HydrophobicContact CD1-CB 4.4Å; Y201-A205 HydrophobicContact CE1-CB 4.09Å; Y201-A205 WeakPolarHBondContact O-CB 3.49Å; Y201-A205 PolarHBondContact O-N 3.34Å; E202-A205 PolarHBondContact O-N 3.03Å; A205-T209 VanDerWaalsContact O-CB 3.24Å; A205-T209 WeakPolarHBondContact O-CB 3.29Å; A205-T209 PolarHBondContact O-N 3.41Å; A205-T209 PolarHBondContact O-OG1 3.33Å
206H97.1Very high97.2Very high97 Ų9750.8 Ų50.845%0.44924%0.242SC..Hα-helixtrans-64.7-48.3175.2-170.5-170.8000111.4E202 R203 F204 A208 T209 V210E202-H206 WeakPolarHBondContact O-CB 3.39Å; E202-H206 PolarHBondContact O-N 3.3Å; R203-H206 PolarHBondContact O-N 3.43Å; F204-H206 VanDerWaalsContact C-N 3.33Å; F204-H206 PolarHBondContact O-N 2.97Å; H206-A208 PolarHBondContact O-N 2.71Å; H206-T209 PolarHBondContact O-N 3.03Å; H206-V210 PolarHBondContact O-N 3.17Å; H206-V210 VanDerWaalsContact O-N 3.09Å
207V98.1Very high97.1Very high4 Ų451 Ų512%0.02424%0.244CC..Hα-helixtrans-59.6-47.7175.9175.20000111.1L166 M184 I197 R203 F204 T209 V210 L211 L237L166-V207 HydrophobicContact CD1-CG2 4.02Å; L166-V207 HydrophobicContact CD2-CG2 4.18Å; M184-V207 HydrophobicContact CE-CG1 4.47Å; M184-V207 HydrophobicContact CE-CG2 4.12Å; I197-V207 HydrophobicContact CG2-CB 4.39Å; I197-V207 HydrophobicContact CG2-CG2 3.95Å; R203-V207 WeakPolarHBondContact O-CG2 3.15Å; R203-V207 PolarHBondContact O-N 3.42Å; R203-V207 VanDerWaalsContact O-N 3.16Å; F204-V207 PolarHBondContact O-N 3.06Å; V207-T209 VanDerWaalsContact C-N 3.33Å; V207-T209 PolarHBondContact O-N 3.31Å; V207-V210 PolarHBondContact O-N 3.46Å; V207-L211 HydrophobicContact CG1-CD1 3.98Å; V207-L211 HydrophobicContact CG1-CG 4.48Å; V207-L211 WeakPolarHBondContact O-CG 3.5Å; V207-L211 PolarHBondContact O-N 3.37Å; V207-L237 HydrophobicContact CG1-CD1 4.22Å
208A97.7Very high97Very high9 Ų951 Ų517%0.07424%0.244CC..Hα-helixtrans-62.1-38.3179.300000112.7F204 H206 L211 D212F204-A208 HydrophobicContact CE1-CB 4.4Å; F204-A208 HydrophobicContact CE2-CB 4.41Å; F204-A208 HydrophobicContact CZ-CB 4.14Å; F204-A208 WeakPolarHBondContact O-CB 3.47Å; F204-A208 PolarHBondContact O-N 2.62Å; H206-A208 PolarHBondContact O-N 2.71Å; A208-L211 PolarHBondContact O-N 2.71Å; A208-D212 PolarHBondContact O-N 3.16Å
209T97.6Very high96.9Very high67 Ų6752 Ų5241%0.41125%0.254SS..Hα-helixtrans-67.7-37.7178-60.90000112.3A205 H206 V207 K213A205-T209 VanDerWaalsContact O-CB 3.24Å; A205-T209 WeakPolarHBondContact O-CB 3.29Å; A205-T209 PolarHBondContact O-N 3.41Å; A205-T209 PolarHBondContact O-OG1 3.33Å; H206-T209 PolarHBondContact O-N 3.03Å; V207-T209 VanDerWaalsContact C-N 3.33Å; V207-T209 PolarHBondContact O-N 3.31Å; T209-K213 WeakPolarHBondContact O-CG 3.46Å; T209-K213 PolarHBondContact O-N 3.48Å
210V98.2Very high96.8Very high0 Ų056.3 Ų56.30%027%0.265CS..Hα-helixtrans-70-42.2175.31740000110.6L166 M169 E170 H206 V207 D212 K213 M214L166-V210 HydrophobicContact CB-CG2 4.35Å; L166-V210 HydrophobicContact CD2-CB 3.96Å; L166-V210 HydrophobicContact CD2-CG1 4.09Å; L166-V210 HydrophobicContact CD2-CG2 4.1Å; M169-V210 HydrophobicContact CB-CG1 3.74Å; M169-V210 HydrophobicContact CE-CG1 4.28Å; E170-V210 HydrophobicContact CB-CG1 4.35Å; H206-V210 PolarHBondContact O-N 3.17Å; H206-V210 VanDerWaalsContact O-N 3.09Å; V207-V210 PolarHBondContact O-N 3.46Å; V210-D212 VanDerWaalsContact C-N 3.34Å; V210-D212 PolarHBondContact O-N 3.03Å; V210-K213 PolarHBondContact O-N 3.16Å; V210-M214 HydrophobicContact CG1-SD 4.05Å; V210-M214 VanDerWaalsContact O-CG 3.26Å; V210-M214 WeakPolarHBondContact O-CG 3.38Å; V210-M214 PolarHBondContact O-N 3.34Å
211L98.3Very high96.6Very high1 Ų158.5 Ų58.51%0.00527%0.271CS..Hα-helixtrans-63-36.4176-67.4172.6000112.7M169 V207 A208 M214 V215 V230 C233 Y234 L237M169-L211 HydrophobicContact CE-CD2 3.79Å; V207-L211 HydrophobicContact CG1-CD1 3.98Å; V207-L211 HydrophobicContact CG1-CG 4.48Å; V207-L211 WeakPolarHBondContact O-CG 3.5Å; V207-L211 PolarHBondContact O-N 3.37Å; A208-L211 PolarHBondContact O-N 2.71Å; L211-M214 HydrophobicContact CD2-SD 4.14Å; L211-M214 WeakPolarHBondContact O-CB 3.46Å; L211-M214 PolarHBondContact O-N 3.46Å; L211-V215 WeakPolarHBondContact O-CG2 3.39Å; L211-V215 PolarHBondContact O-N 3.42Å; L211-V230 HydrophobicContact CD2-CG1 4.31Å; L211-V230 HydrophobicContact CD2-CG2 4.23Å; L211-C233 HydrophobicContact CD1-CB 4.1Å; L211-C233 HydrophobicContact CD2-CB 4.34Å; L211-Y234 VanDerWaalsContact C-OH 3.26Å; L211-Y234 HydrophobicContact CB-CE1 4.21Å; L211-Y234 HydrophobicContact CB-CE2 3.71Å; L211-Y234 VanDerWaalsContact CB-CZ 3.5Å; L211-Y234 WeakPolarHBondContact CB-OH 3.09Å; L211-Y234 HydrophobicContact CD1-CD1 4.45Å; L211-Y234 HydrophobicContact CD1-CE1 4.3Å; L211-Y234 HydrophobicContact CD1-CE2 4.41Å; L211-L237 HydrophobicContact CD1-CD1 3.93Å
212D97.4Very high96.5Very high54 Ų5453.2 Ų53.229%0.28925%0.253SS..Hα-helixtrans-62.4-51.3174.8170.552.9000111.8A208 V210 M214 V215 I216 Y234 P252A208-D212 PolarHBondContact O-N 3.16Å; V210-D212 VanDerWaalsContact C-N 3.34Å; V210-D212 PolarHBondContact O-N 3.03Å; D212-M214 PolarHBondContact O-N 3.39Å; D212-V215 PolarHBondContact O-N 3.2Å; D212-I216 WeakPolarHBondContact O-CG1 3.41Å; D212-I216 PolarHBondContact O-N 2.87Å; D212-Y234 PolarHBondContact N-OH 2.9Å; D212-Y234 VanDerWaalsContact N-OH 3.12Å; D212-P252 HydrophobicContact CB-CG 4.02Å; D212-P252 WeakPolarHBondContact OD1-CG 3.48Å
213K96.8Very high96.5Very high85 Ų8546.4 Ų46.437%0.3722%0.222SC..Hα-helixtrans-53.2-40.7173.4-67.7169.9-174.5177.20111.6E170 T209 V210 H217E170-K213 HydrophobicContact CG-CD 4.32Å; E170-K213 WeakPolarHBondContact OE1-CD 3.5Å; E170-K213 WeakPolarHBondContact OE1-CE 3.4Å; E170-K213 IonicContact OE1-NZ 3.84Å; E170-K213 PolarHBondContact OE1-NZ 3.1Å; E170-K213 IonicContact OE2-NZ 3.15Å; E170-K213 PolarHBondContact OE2-NZ 3.39Å; T209-K213 WeakPolarHBondContact O-CG 3.46Å; T209-K213 PolarHBondContact O-N 3.48Å; V210-K213 PolarHBondContact O-N 3.16Å; K213-H217 WeakPolarHBondContact O-CB 3.33Å; K213-H217 PolarHBondContact O-N 3.46Å; K213-H217 VanDerWaalsContact O-N 3.12Å
214M97.7Very high96.5Very high4 Ų445.4 Ų45.42%0.0222%0.223CC..Hα-helixtrans-67.7-38.7176.6-68.6167.574.600113M169 T181 V210 L211 D212 H217 L218 L226 V230M169-M214 HydrophobicContact CB-CE 4.37Å; M169-M214 HydrophobicContact CB-SD 3.81Å; M169-M214 HydrophobicContact CE-CE 4.04Å; M169-M214 HydrophobicContact CE-SD 3.48Å; M169-M214 WeakPolarHBondContact CE-SD 3.45Å; M169-M214 HydrophobicContact CG-CE 4.36Å; M169-M214 HydrophobicContact CG-SD 4.28Å; T181-M214 HydrophobicContact CG2-CE 4.04Å; T181-M214 WeakPolarHBondContact OG1-CE 3.44Å; V210-M214 HydrophobicContact CG1-SD 4.05Å; V210-M214 VanDerWaalsContact O-CG 3.26Å; V210-M214 WeakPolarHBondContact O-CG 3.38Å; V210-M214 PolarHBondContact O-N 3.34Å; L211-M214 HydrophobicContact CD2-SD 4.14Å; L211-M214 WeakPolarHBondContact O-CB 3.46Å; L211-M214 PolarHBondContact O-N 3.46Å; D212-M214 PolarHBondContact O-N 3.39Å; M214-H217 WeakPolarHBondContact O-CB 3.3Å; M214-H217 PolarHBondContact O-N 3.22Å; M214-L218 VanDerWaalsContact O-CB 3.3Å; M214-L218 WeakPolarHBondContact O-CB 3.42Å; M214-L218 VanDerWaalsContact O-CG 3.24Å; M214-L218 WeakPolarHBondContact O-CG 3.33Å; M214-L218 PolarHBondContact O-N 3.28Å; M214-L226 HydrophobicContact CE-CD1 3.67Å; M214-L226 HydrophobicContact CE-CD2 4.43Å; M214-L226 HydrophobicContact CE-CG 4.22Å; M214-V230 HydrophobicContact CB-CG2 4.39Å; M214-V230 HydrophobicContact CE-CG2 3.54Å; M214-V230 HydrophobicContact SD-CG2 4.41Å
215V97.7Very high96.4Very high0 Ų053 Ų530%025%0.251CS..Hα-helixtrans-64.6-43.4175.4170.90000111.3L211 D212 H217 L218 A219 V230 Y234 P252 Q254 L255 F260L211-V215 WeakPolarHBondContact O-CG2 3.39Å; L211-V215 PolarHBondContact O-N 3.42Å; D212-V215 PolarHBondContact O-N 3.2Å; V215-H217 PolarHBondContact O-N 3.45Å; V215-L218 PolarHBondContact O-N 2.85Å; V215-A219 PolarHBondContact O-N 3.47Å; V215-V230 HydrophobicContact CG2-CG1 3.67Å; V215-Y234 HydrophobicContact CG2-CE2 3.96Å; V215-P252 HydrophobicContact CB-CB 3.98Å; V215-P252 HydrophobicContact CB-CG 4.05Å; V215-P252 HydrophobicContact CG1-CB 3.68Å; V215-P252 HydrophobicContact CG1-CG 4.27Å; V215-P252 HydrophobicContact CG2-CB 4.42Å; V215-P252 HydrophobicContact CG2-CG 4.13Å; V215-Q254 HydrophobicContact CG1-CB 3.78Å; V215-Q254 HydrophobicContact CG1-CG 4.48Å; V215-L255 HydrophobicContact CG1-CD2 4.42Å; V215-L255 HydrophobicContact CG1-CG 4.17Å; V215-L255 HydrophobicContact CG2-CD1 4.14Å; V215-L255 HydrophobicContact CG2-CD2 4.29Å; V215-L255 HydrophobicContact CG2-CG 4.22Å; V215-F260 HydrophobicContact CG1-CE2 3.94Å; V215-F260 HydrophobicContact CG1-CZ 4.14Å
216I96Very high96.4Very high70 Ų7051.9 Ų51.936%0.35924%0.242SC..Hα-helixtrans-61-34.2176.7-64.7165.4000111.5D212D212-I216 WeakPolarHBondContact O-CG1 3.41Å; D212-I216 PolarHBondContact O-N 2.87Å
217H94.9Very high96.4Very high57 Ų5747.3 Ų47.326%0.26422%0.221SC..Hα-helixtrans-74.6-45.5176-173.226.5000112K177 K213 M214 V215 A219 R220 E221K177-H217 PolarHBondContact NZ-CD2 2.67Å; K177-H217 PolarHBondContact NZ-NE2 3.01Å; K213-H217 WeakPolarHBondContact O-CB 3.33Å; K213-H217 PolarHBondContact O-N 3.46Å; K213-H217 VanDerWaalsContact O-N 3.12Å; M214-H217 WeakPolarHBondContact O-CB 3.3Å; M214-H217 PolarHBondContact O-N 3.22Å; V215-H217 PolarHBondContact O-N 3.45Å; H217-A219 VanDerWaalsContact C-N 3.29Å; H217-A219 PolarHBondContact O-N 2.97Å; H217-R220 WeakPolarHBondContact O-CB 3.27Å; H217-R220 PolarHBondContact O-N 3.12Å; H217-E221 IonicContact CE1-OE1 3.62Å; H217-E221 PolarHBondContact CE1-OE1 3.36Å; H217-E221 IonicContact CE1-OE2 2.67Å; H217-E221 PolarHBondContact CE1-OE2 3.26Å; H217-E221 VanDerWaalsContact CE1-OE2 3.24Å; H217-E221 IonicContact ND1-OE1 3.33Å; H217-E221 IonicContact ND1-OE2 3.75Å; H217-E221 IonicContact NE2-OE1 2.7Å; H217-E221 IonicContact NE2-OE2 2.69Å; H217-E221 PolarHBondContact O-N 2.95Å; H217-E221 VanDerWaalsContact O-N 3.08Å
218L96.5Very high96.4Very high1 Ų149.3 Ų49.31%0.00523%0.229CC..Hα-helixtrans-59.5-34.9176.5-81.7167.8000113M214 V215 R220 E221 Q222 S223 L226 L227 V230 F260M214-L218 VanDerWaalsContact O-CB 3.3Å; M214-L218 WeakPolarHBondContact O-CB 3.42Å; M214-L218 VanDerWaalsContact O-CG 3.24Å; M214-L218 WeakPolarHBondContact O-CG 3.33Å; M214-L218 PolarHBondContact O-N 3.28Å; V215-L218 PolarHBondContact O-N 2.85Å; L218-R220 PolarHBondContact O-N 3.22Å; L218-R220 VanDerWaalsContact O-N 3.07Å; L218-E221 PolarHBondContact O-N 3.23Å; L218-Q222 WeakPolarHBondContact O-CA 3.4Å; L218-Q222 PolarHBondContact O-N 2.74Å; L218-S223 WeakPolarHBondContact CD2-O 3.34Å; L218-L226 HydrophobicContact CD1-CG 4.34Å; L218-L226 HydrophobicContact CD2-CB 3.98Å; L218-L226 HydrophobicContact CD2-CD2 3.97Å; L218-L226 HydrophobicContact CD2-CG 4.05Å; L218-L226 HydrophobicContact CG-CD2 4.32Å; L218-L226 HydrophobicContact CG-CG 4.48Å; L218-L227 HydrophobicContact CD1-CB 4.1Å; L218-L227 HydrophobicContact CD1-CD1 3.96Å; L218-L227 HydrophobicContact CD2-CB 4.27Å; L218-V230 HydrophobicContact CD1-CB 4.3Å; L218-V230 HydrophobicContact CD1-CG2 4Å; L218-F260 HydrophobicContact CB-CE1 3.95Å; L218-F260 HydrophobicContact CB-CZ 3.96Å
219A94.6Very high96.4Very high27 Ų2749.3 Ų49.322%0.22323%0.228CC..Hα-helixtrans-57.8-21.3174.400000113.2V215 H217 Q222 Q254 T259 F260V215-A219 PolarHBondContact O-N 3.47Å; H217-A219 VanDerWaalsContact C-N 3.29Å; H217-A219 PolarHBondContact O-N 2.97Å; A219-Q222 PolarHBondContact O-NE2 3.04Å; A219-Q254 HydrophobicContact CB-CG 4.24Å; A219-T259 HydrophobicContact CB-CG2 3.77Å; A219-F260 HydrophobicContact CB-CE1 4.45Å; A219-F260 HydrophobicContact CB-CZ 4.2Å
220R94.2Very high96.5Very high209 Ų20946.1 Ų46.179%0.78921%0.208SC*.Hα-helixtrans-100.2-43.4176.9-55.4-179.8-176.1-178.2-0.2112.8H217 L218H217-R220 WeakPolarHBondContact O-CB 3.27Å; H217-R220 PolarHBondContact O-N 3.12Å; L218-R220 PolarHBondContact O-N 3.22Å; L218-R220 VanDerWaalsContact O-N 3.07Å
221E92.9Very high96.5Very high99 Ų9946.1 Ų46.146%0.46321%0.208SC..Hα-helixtrans-85.3-19.3-175.2-64.2-168.5155.600113.9H217 L218 S223H217-E221 IonicContact CE1-OE1 3.62Å; H217-E221 PolarHBondContact CE1-OE1 3.36Å; H217-E221 IonicContact CE1-OE2 2.67Å; H217-E221 PolarHBondContact CE1-OE2 3.26Å; H217-E221 VanDerWaalsContact CE1-OE2 3.24Å; H217-E221 IonicContact ND1-OE1 3.33Å; H217-E221 IonicContact ND1-OE2 3.75Å; H217-E221 IonicContact NE2-OE1 2.7Å; H217-E221 IonicContact NE2-OE2 2.69Å; H217-E221 PolarHBondContact O-N 2.95Å; H217-E221 VanDerWaalsContact O-N 3.08Å; L218-E221 PolarHBondContact O-N 3.23Å; E221-S223 PolarHBondContact O-N 3.17Å; E221-S223 VanDerWaalsContact O-N 3.16Å
222Q93.5Very high96.5Very high67 Ų6748.3 Ų48.331%0.31322%0.216SC..  trans54.433.1175.5-60.4-70.6-26.600114.1L218 A219 L224 L263L218-Q222 WeakPolarHBondContact O-CA 3.4Å; L218-Q222 PolarHBondContact O-N 2.74Å; A219-Q222 PolarHBondContact O-NE2 3.04Å; Q222-L224 PolarHBondContact O-N 3.24Å; Q222-L224 VanDerWaalsContact O-N 3.15Å; Q222-L263 HydrophobicContact CB-CD1 4.47Å; Q222-L263 HydrophobicContact CB-CD2 4.24Å; Q222-L263 VanDerWaalsContact O-CD1 3.23Å; Q222-L263 WeakPolarHBondContact O-CD1 3.45Å; Q222-L263 WeakPolarHBondContact O-CD2 3.48Å
223S96.1Very high96.5Very high11 Ų1145.8 Ų45.88%0.07720%0.203CC..  trans-77.398.5177.3-176.20000112.1E174 L218 E221 R225 L226 L227E174-S223 WeakPolarHBondContact OE1-CB 3.48Å; E174-S223 PolarHBondContact OE1-OG 2.96Å; L218-S223 WeakPolarHBondContact CD2-O 3.34Å; E221-S223 PolarHBondContact O-N 3.17Å; E221-S223 VanDerWaalsContact O-N 3.16Å; S223-R225 VanDerWaalsContact C-N 3.25Å; S223-R225 PolarHBondContact O-N 3.26Å; S223-L226 PolarHBondContact O-N 3Å; S223-L227 WeakPolarHBondContact O-CB 3.47Å; S223-L227 PolarHBondContact O-N 3.33Å
224L96Very high96.6Very high59 Ų5941.8 Ų41.831%0.30919%0.185SC..Hα-helixtrans-56.3-37.8177.6176.758.9000112.7Q222 L227 K228 L263 L264 D267Q222-L224 PolarHBondContact O-N 3.24Å; Q222-L224 VanDerWaalsContact O-N 3.15Å; L224-L227 PolarHBondContact O-N 3.13Å; L224-K228 WeakPolarHBondContact O-CB 3.23Å; L224-K228 PolarHBondContact O-N 3.17Å; L224-L263 HydrophobicContact CB-CD1 3.87Å; L224-L263 HydrophobicContact CB-CD2 4.37Å; L224-L263 HydrophobicContact CB-CG 4.03Å; L224-L263 HydrophobicContact CD1-CG 4.31Å; L224-L264 HydrophobicContact CD1-CD2 3.83Å; L224-D267 HydrophobicContact CD1-CB 4.08Å; L224-D267 HydrophobicContact CD2-CB 4.34Å
225R95.9Very high96.6Very high168 Ų16842.2 Ų42.263%0.63419%0.188SC*.Hα-helixtrans-62.9-46.7-178.8-68.7179.8177.5170-0.7111.5T178 S223 H229T178-R225 HydrophobicContact CG2-CB 4.37Å; S223-R225 VanDerWaalsContact C-N 3.25Å; S223-R225 PolarHBondContact O-N 3.26Å; R225-H229 PolarHBondContact O-CD2 3.48Å
226L97.5Very high96.6Very high1 Ų143.4 Ų43.41%0.00519%0.192CC..Hα-helixtrans-71.2-39.3178-178.964.4000111.2K177 T181 M214 L218 S223 K228 H229 V230K177-L226 HydrophobicContact CB-CD1 4.07Å; K177-L226 HydrophobicContact CB-CD2 4.13Å; T181-L226 WeakPolarHBondContact OG1-CD1 3.45Å; M214-L226 HydrophobicContact CE-CD1 3.67Å; M214-L226 HydrophobicContact CE-CD2 4.43Å; M214-L226 HydrophobicContact CE-CG 4.22Å; L218-L226 HydrophobicContact CD1-CG 4.34Å; L218-L226 HydrophobicContact CD2-CB 3.98Å; L218-L226 HydrophobicContact CD2-CD2 3.97Å; L218-L226 HydrophobicContact CD2-CG 4.05Å; L218-L226 HydrophobicContact CG-CD2 4.32Å; L218-L226 HydrophobicContact CG-CG 4.48Å; S223-L226 PolarHBondContact O-N 3Å; L226-K228 PolarHBondContact O-N 2.94Å; L226-H229 PolarHBondContact O-N 3.38Å; L226-V230 WeakPolarHBondContact O-CG2 3.16Å; L226-V230 PolarHBondContact O-N 3.45Å
227L97.7Very high96.7Very high0 Ų040 Ų400%018%0.175CC..Hα-helixtrans-61-41.2175.7-177.365.7000113L218 S223 L224 H229 V230 I231 L255 F260 L263 L264L218-L227 HydrophobicContact CD1-CB 4.1Å; L218-L227 HydrophobicContact CD1-CD1 3.96Å; L218-L227 HydrophobicContact CD2-CB 4.27Å; S223-L227 WeakPolarHBondContact O-CB 3.47Å; S223-L227 PolarHBondContact O-N 3.33Å; L224-L227 PolarHBondContact O-N 3.13Å; L227-H229 VanDerWaalsContact C-N 3.29Å; L227-H229 PolarHBondContact O-N 3.42Å; L227-V230 PolarHBondContact O-N 3.31Å; L227-I231 HydrophobicContact CD1-CD1 3.75Å; L227-I231 HydrophobicContact CD1-CG1 3.97Å; L227-I231 HydrophobicContact CD2-CD1 4.25Å; L227-I231 HydrophobicContact CG-CD1 3.71Å; L227-I231 HydrophobicContact CG-CG1 4.29Å; L227-I231 WeakPolarHBondContact O-CB 3.37Å; L227-I231 WeakPolarHBondContact O-CG1 3.26Å; L227-I231 PolarHBondContact O-N 2.89Å; L227-L255 HydrophobicContact CD1-CD2 4.31Å; L227-F260 HydrophobicContact CD1-CD1 4.35Å; L227-F260 HydrophobicContact CD1-CD2 4.18Å; L227-F260 HydrophobicContact CD1-CE1 4.27Å; L227-F260 HydrophobicContact CD1-CE2 4.11Å; L227-F260 HydrophobicContact CD1-CG 4.29Å; L227-F260 HydrophobicContact CD1-CZ 4.16Å; L227-F260 HydrophobicContact CD2-CB 3.86Å; L227-F260 HydrophobicContact CD2-CD1 3.62Å; L227-F260 HydrophobicContact CD2-CD2 4.32Å; L227-F260 HydrophobicContact CD2-CE1 4.23Å; L227-F260 HydrophobicContact CD2-CG 3.67Å; L227-L263 HydrophobicContact CD2-CD2 3.8Å; L227-L264 HydrophobicContact CD2-CD1 4.37Å; L227-L264 HydrophobicContact CD2-CD2 3.93Å; L227-L264 HydrophobicContact CD2-CG 4.15Å
228K97.4Very high96.8Very high47 Ų4737.3 Ų37.320%0.20416%0.162CC..Hα-helixtrans-53.7-44.4175.5178.4165.4-177.1178.20111.4L224 L226 R232 T270 W273 D368L224-K228 WeakPolarHBondContact O-CB 3.23Å; L224-K228 PolarHBondContact O-N 3.17Å; L226-K228 PolarHBondContact O-N 2.94Å; K228-R232 WeakPolarHBondContact O-CB 3.41Å; K228-R232 PolarHBondContact O-N 2.7Å; K228-T270 HydrophobicContact CB-CG2 4.44Å; K228-T270 VanDerWaalsContact CG-OG1 3.31Å; K228-T270 WeakPolarHBondContact CG-OG1 3.42Å; K228-W273 HydrophobicContact CG-CZ3 3.85Å; K228-D368 IonicContact NZ-OD1 2.74Å; K228-D368 PolarHBondContact NZ-OD1 2.62Å; K228-D368 VanDerWaalsContact NZ-OD1 3.08Å
229H98.3Very high96.8Very high9 Ų940.2 Ų40.24%0.04218%0.178CC..Hα-helixtrans-71.8-45.2176-62.7-55.8000112.8T181 F182 Q185 R225 L226 L227 I231 R232 C233T181-H229 HydrophobicContact CG2-CB 3.61Å; F182-H229 AromaticContact CD2-CE1 3.77Å; Q185-H229 PolarHBondContact OE1-ND1 3.16Å; R225-H229 PolarHBondContact O-CD2 3.48Å; L226-H229 PolarHBondContact O-N 3.38Å; L227-H229 VanDerWaalsContact C-N 3.29Å; L227-H229 PolarHBondContact O-N 3.42Å; H229-I231 PolarHBondContact O-N 3.03Å; H229-R232 PolarHBondContact O-N 2.96Å; H229-R232 VanDerWaalsContact O-N 3.13Å; H229-C233 PolarHBondContact O-N 3.22Å; H229-C233 PolarHBondContact O-SG 3.42Å
230V98.3Very high96.9Very high0 Ų040.4 Ų40.40%018%0.175CC..Hα-helixtrans-58.5-46.2178.9169.10000112T181 L211 M214 V215 L218 L226 L227 R232 C233 Y234T181-V230 HydrophobicContact CG2-CG2 4.05Å; L211-V230 HydrophobicContact CD2-CG1 4.31Å; L211-V230 HydrophobicContact CD2-CG2 4.23Å; M214-V230 HydrophobicContact CB-CG2 4.39Å; M214-V230 HydrophobicContact CE-CG2 3.54Å; M214-V230 HydrophobicContact SD-CG2 4.41Å; V215-V230 HydrophobicContact CG2-CG1 3.67Å; L218-V230 HydrophobicContact CD1-CB 4.3Å; L218-V230 HydrophobicContact CD1-CG2 4Å; L226-V230 WeakPolarHBondContact O-CG2 3.16Å; L226-V230 PolarHBondContact O-N 3.45Å; L227-V230 PolarHBondContact O-N 3.31Å; V230-R232 VanDerWaalsContact C-N 3.34Å; V230-R232 PolarHBondContact O-N 2.88Å; V230-C233 PolarHBondContact O-N 3.22Å; V230-Y234 HydrophobicContact CG1-CD2 3.92Å; V230-Y234 HydrophobicContact CG1-CE2 3.83Å; V230-Y234 WeakPolarHBondContact O-CD2 3.5Å; V230-Y234 PolarHBondContact O-N 3.13Å
231I98.1Very high97Very high0 Ų033.3 Ų33.30%016%0.157CC..Hα-helixtrans-63-40.8175.9-71.2173.1000110.8L227 H229 C233 Y234 L235 L255 L264 T270 W273 L274L227-I231 HydrophobicContact CD1-CD1 3.75Å; L227-I231 HydrophobicContact CD1-CG1 3.97Å; L227-I231 HydrophobicContact CD2-CD1 4.25Å; L227-I231 HydrophobicContact CG-CD1 3.71Å; L227-I231 HydrophobicContact CG-CG1 4.29Å; L227-I231 WeakPolarHBondContact O-CB 3.37Å; L227-I231 WeakPolarHBondContact O-CG1 3.26Å; L227-I231 PolarHBondContact O-N 2.89Å; H229-I231 PolarHBondContact O-N 3.03Å; I231-C233 VanDerWaalsContact C-N 3.35Å; I231-C233 PolarHBondContact O-N 2.99Å; I231-Y234 PolarHBondContact O-N 2.97Å; I231-L235 WeakPolarHBondContact O-CB 3.46Å; I231-L235 PolarHBondContact O-N 2.93Å; I231-L255 HydrophobicContact CD1-CD2 4.31Å; I231-L255 HydrophobicContact CG1-CD2 3.99Å; I231-L264 HydrophobicContact CD1-CD1 4.07Å; I231-T270 HydrophobicContact CB-CG2 4.24Å; I231-T270 HydrophobicContact CD1-CG2 3.63Å; I231-T270 HydrophobicContact CG1-CG2 4.49Å; I231-T270 HydrophobicContact CG2-CG2 4.3Å; I231-W273 HydrophobicContact CG2-CB 3.9Å; I231-L274 HydrophobicContact CD1-CB 4.32Å; I231-L274 HydrophobicContact CD1-CD1 4.27Å; I231-L274 HydrophobicContact CD1-CD2 4.21Å; I231-L274 HydrophobicContact CG1-CD1 4.39Å; I231-L274 HydrophobicContact CG2-CB 4.13Å; I231-L274 HydrophobicContact CG2-CD1 4.48Å
232R98.1Very high97.1Very high47 Ų4734.9 Ų34.918%0.17716%0.159CC..Hα-helixtrans-67.9-33.2179.3-170.964.9-165.992.1-11.7112.9Q185 L189 K228 H229 V230 R236 W273Q185-R232 HydrophobicContact CG-CB 3.99Å; Q185-R232 HydrophobicContact CG-CG 3.73Å; L189-R232 VanDerWaalsContact CD2-NH2 3.28Å; K228-R232 WeakPolarHBondContact O-CB 3.41Å; K228-R232 PolarHBondContact O-N 2.7Å; H229-R232 PolarHBondContact O-N 2.96Å; H229-R232 VanDerWaalsContact O-N 3.13Å; V230-R232 VanDerWaalsContact C-N 3.34Å; V230-R232 PolarHBondContact O-N 2.88Å; R232-R236 PolarHBondContact O-N 3.08Å; R232-W273 HydrophobicContact CB-CE3 3.91Å; R232-W273 HydrophobicContact CB-CZ3 3.9Å; R232-W273 HydrophobicContact CG-CE3 4.3Å; R232-W273 HydrophobicContact CG-CZ3 4.16Å
233C98.5Very high97.3Very high1 Ų131.8 Ų31.81%0.00715%0.145CC..Hα-helixtrans-64.8-51.4171.4-68.90000111.7Q185 L188 L211 H229 V230 I231 L235 R236 L237Q185-C233 VanDerWaalsContact CA-SG 3.58Å; L188-C233 HydrophobicContact CD1-CB 3.79Å; L211-C233 HydrophobicContact CD1-CB 4.1Å; L211-C233 HydrophobicContact CD2-CB 4.34Å; H229-C233 PolarHBondContact O-N 3.22Å; H229-C233 PolarHBondContact O-SG 3.42Å; V230-C233 PolarHBondContact O-N 3.22Å; I231-C233 VanDerWaalsContact C-N 3.35Å; I231-C233 PolarHBondContact O-N 2.99Å; C233-L235 VanDerWaalsContact C-N 3.35Å; C233-L235 PolarHBondContact O-N 3.1Å; C233-R236 PolarHBondContact O-N 3.12Å; C233-R236 VanDerWaalsContact O-N 3.09Å; C233-L237 WeakPolarHBondContact O-CG 3.21Å; C233-L237 PolarHBondContact O-N 3.32Å
234Y98.4Very high97.3Very high1 Ų134.2 Ų34.20%0.00415%0.153CC..Hα-helixtrans-58.8-44.4176.8-83.2-64.2000112.4L211 D212 V215 V230 I231 R236 L237 S238 L247 L251 P252 L255L211-Y234 VanDerWaalsContact C-OH 3.26Å; L211-Y234 HydrophobicContact CB-CE1 4.21Å; L211-Y234 HydrophobicContact CB-CE2 3.71Å; L211-Y234 VanDerWaalsContact CB-CZ 3.5Å; L211-Y234 WeakPolarHBondContact CB-OH 3.09Å; L211-Y234 HydrophobicContact CD1-CD1 4.45Å; L211-Y234 HydrophobicContact CD1-CE1 4.3Å; L211-Y234 HydrophobicContact CD1-CE2 4.41Å; D212-Y234 PolarHBondContact N-OH 2.9Å; D212-Y234 VanDerWaalsContact N-OH 3.12Å; V215-Y234 HydrophobicContact CG2-CE2 3.96Å; V230-Y234 HydrophobicContact CG1-CD2 3.92Å; V230-Y234 HydrophobicContact CG1-CE2 3.83Å; V230-Y234 WeakPolarHBondContact O-CD2 3.5Å; V230-Y234 PolarHBondContact O-N 3.13Å; I231-Y234 PolarHBondContact O-N 2.97Å; Y234-R236 PolarHBondContact O-N 3.42Å; Y234-L237 PolarHBondContact O-N 3.08Å; Y234-S238 PolarHBondContact O-N 2.79Å; Y234-S238 PolarHBondContact O-OG 3.05Å; Y234-L247 HydrophobicContact CD1-CD1 4.46Å; Y234-L247 HydrophobicContact CD1-CD2 3.63Å; Y234-L247 HydrophobicContact CE1-CD2 3.67Å; Y234-L251 HydrophobicContact CD1-CD1 4.06Å; Y234-L251 HydrophobicContact CE1-CD1 4.26Å; Y234-L251 HydrophobicContact CG-CD1 4.3Å; Y234-P252 HydrophobicContact CE2-CG 4.48Å; Y234-P252 WeakPolarHBondContact OH-CD 3.39Å; Y234-P252 WeakPolarHBondContact OH-CG 3.46Å; Y234-L255 HydrophobicContact CD2-CD1 3.77Å; Y234-L255 HydrophobicContact CE2-CD1 3.84Å; Y234-L255 HydrophobicContact CG-CD1 4.49Å
235L98.1Very high97.2Very high13 Ų1335.2 Ų35.27%0.06816%0.158CC..Hα-helixtrans-58.9-30.6176.1173.260.7000113I231 C233 S238 W273 Q276 L277I231-L235 WeakPolarHBondContact O-CB 3.46Å; I231-L235 PolarHBondContact O-N 2.93Å; C233-L235 VanDerWaalsContact C-N 3.35Å; C233-L235 PolarHBondContact O-N 3.1Å; L235-S238 WeakPolarHBondContact CA-OG 3.3Å; L235-S238 PolarHBondContact O-OG 3.28Å; L235-W273 HydrophobicContact CD2-CB 3.65Å; L235-W273 HydrophobicContact CD2-CG 3.85Å; L235-Q276 HydrophobicContact CD1-CB 4.21Å; L235-Q276 HydrophobicContact CD1-CG 3.58Å; L235-L277 HydrophobicContact CB-CB 4.4Å; L235-L277 HydrophobicContact CD1-CB 4.25Å
236R98.2Very high97.2Very high24 Ų2428.3 Ų28.39%0.09114%0.137CC..Hα-helixtrans-83.4-37178-171.744.9168.7164.70112.2L188 L189 E191 R232 C233 Y234 S238 D239L188-R236 HydrophobicContact CB-CB 4.3Å; L188-R236 HydrophobicContact CB-CG 3.91Å; L188-R236 WeakPolarHBondContact O-CD 3.49Å; L188-R236 WeakPolarHBondContact O-CG 3.35Å; L188-R236 PolarHBondContact O-NE 3.15Å; L189-R236 PolarHBondContact O-NE 2.76Å; L189-R236 PolarHBondContact O-NH2 2.94Å; E191-R236 IonicContact OE1-CZ 3.62Å; E191-R236 IonicContact OE1-NH1 2.65Å; E191-R236 PolarHBondContact OE1-NH1 3.22Å; E191-R236 IonicContact OE1-NH2 3.51Å; E191-R236 PolarHBondContact OE1-NH2 3.47Å; E191-R236 IonicContact OE2-NH2 3.54Å; R232-R236 PolarHBondContact O-N 3.08Å; C233-R236 PolarHBondContact O-N 3.12Å; C233-R236 VanDerWaalsContact O-N 3.09Å; Y234-R236 PolarHBondContact O-N 3.42Å; R236-S238 PolarHBondContact O-N 3.46Å; R236-D239 WeakPolarHBondContact CD-OD2 3.43Å; R236-D239 IonicContact CZ-OD2 3.63Å; R236-D239 IonicContact NE-OD2 3.38Å; R236-D239 IonicContact NH1-OD2 3.82Å; R236-D239 PolarHBondContact NH1-OD2 2.96Å; R236-D239 WeakPolarHBondContact O-CB 3.29Å; R236-D239 PolarHBondContact O-N 3.11Å; R236-D239 VanDerWaalsContact O-N 3.13Å
237L98.2Very high97.1Very high0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-61.3-29.7171.2-71.8169000112.2L188 L194 I197 F204 V207 L211 C233 Y234 D239 A243 L247L188-L237 HydrophobicContact CD1-CG 4.25Å; L188-L237 HydrophobicContact CD2-CD2 3.61Å; L188-L237 HydrophobicContact CD2-CG 4.05Å; L194-L237 HydrophobicContact CD1-CD2 4.4Å; I197-L237 HydrophobicContact CG2-CD2 3.98Å; F204-L237 HydrophobicContact CD2-CD2 4.29Å; V207-L237 HydrophobicContact CG1-CD1 4.22Å; L211-L237 HydrophobicContact CD1-CD1 3.93Å; C233-L237 WeakPolarHBondContact O-CG 3.21Å; C233-L237 PolarHBondContact O-N 3.32Å; Y234-L237 PolarHBondContact O-N 3.08Å; L237-D239 PolarHBondContact O-N 3.24Å; L237-A243 WeakPolarHBondContact O-CB 3.25Å; L237-L247 HydrophobicContact CB-CD1 3.9Å
238S97Very high97Very high0 Ų032.6 Ų32.60%015%0.153CC..THydrogen-bonded Turntrans-78.43.9175.452.80000115.2Y234 L235 R236 R244 L277 Q280Y234-S238 PolarHBondContact O-N 2.79Å; Y234-S238 PolarHBondContact O-OG 3.05Å; L235-S238 WeakPolarHBondContact CA-OG 3.3Å; L235-S238 PolarHBondContact O-OG 3.28Å; R236-S238 PolarHBondContact O-N 3.46Å; S238-R244 WeakPolarHBondContact O-CD 3.44Å; S238-R244 PolarHBondContact O-NH1 2.82Å; S238-L277 WeakPolarHBondContact OG-CD1 3.32Å; S238-Q280 PolarHBondContact OG-OE1 3.06Å
239D96.8Very high96.7Very high62 Ų6236.4 Ų36.433%0.33218%0.181SC..THydrogen-bonded Turntrans-80.6-42.2169.2-67-27000111.7L194 R236 L237 R244 Q280L194-D239 HydrophobicContact CD2-CB 4.24Å; R236-D239 WeakPolarHBondContact CD-OD2 3.43Å; R236-D239 IonicContact CZ-OD2 3.63Å; R236-D239 IonicContact NE-OD2 3.38Å; R236-D239 IonicContact NH1-OD2 3.82Å; R236-D239 PolarHBondContact NH1-OD2 2.96Å; R236-D239 WeakPolarHBondContact O-CB 3.29Å; R236-D239 PolarHBondContact O-N 3.11Å; R236-D239 VanDerWaalsContact O-N 3.13Å; L237-D239 PolarHBondContact O-N 3.24Å; D239-R244 PolarHBondContact O-NH1 3.32Å; D239-Q280 PolarHBondContact OD1-NE2 3.17Å
240D96.7Very high96.5Very high30 Ų3038.7 Ų38.716%0.1620%0.197CC..SBendtrans-65.2137.9170.1172.1-78.7000110.6C198 R242 A243 R244C198-D240 HydrophobicContact CB-CB 4.22Å; D240-R242 WeakPolarHBondContact OD1-CA 3.47Å; D240-R242 WeakPolarHBondContact OD1-CB 3.49Å; D240-R242 PolarHBondContact OD1-N 3Å; D240-R242 IonicContact OD1-NE 2.94Å; D240-R242 IonicContact OD1-NH2 3.24Å; D240-R242 IonicContact OD2-CZ 3.9Å; D240-R242 IonicContact OD2-NE 3.17Å; D240-R242 PolarHBondContact OD2-NE 3.31Å; D240-R242 IonicContact OD2-NH2 3.58Å; D240-R242 PolarHBondContact OD2-NH2 3.36Å; D240-A243 HydrophobicContact CB-CB 4.11Å; D240-A243 PolarHBondContact OD1-N 3.3Å; D240-R244 WeakPolarHBondContact O-CB 3.25Å; D240-R244 PolarHBondContact O-N 3.22Å
241S95.3Very high96.3Very high60 Ų6040.2 Ų40.242%0.4221%0.205SC..Hα-helixtrans-67-40.5-17550.40000113.9D245S241-D245 VanDerWaalsContact O-CB 3.32Å; S241-D245 WeakPolarHBondContact O-CB 3.41Å; S241-D245 PolarHBondContact O-N 3.21Å
242R95.1Very high96.2Very high133 Ų13340.5 Ų40.550%0.50221%0.206SC..Hα-helixtrans-75.9-41.2-175.4-59.1161.7-66.4143.57.8110.4C198 D240 D245 A246C198-R242 PolarHBondContact O-NH1 3.05Å; C198-R242 PolarHBondContact O-NH2 3.48Å; D240-R242 WeakPolarHBondContact OD1-CA 3.47Å; D240-R242 WeakPolarHBondContact OD1-CB 3.49Å; D240-R242 PolarHBondContact OD1-N 3Å; D240-R242 IonicContact OD1-NE 2.94Å; D240-R242 IonicContact OD1-NH2 3.24Å; D240-R242 IonicContact OD2-CZ 3.9Å; D240-R242 IonicContact OD2-NE 3.17Å; D240-R242 PolarHBondContact OD2-NE 3.31Å; D240-R242 IonicContact OD2-NH2 3.58Å; D240-R242 PolarHBondContact OD2-NH2 3.36Å; R242-D245 PolarHBondContact O-N 3.47Å; R242-A246 WeakPolarHBondContact O-CB 3Å; R242-A246 PolarHBondContact O-N 3.3Å
243A96.7Very high96Very high2 Ų244.1 Ų44.12%0.01723%0.225CC..Hα-helixtrans-65.4-44.1172.600000111.6F204 L237 D240 D245 A246 L247F204-A243 HydrophobicContact CD2-CB 3.64Å; F204-A243 HydrophobicContact CE2-CB 3.52Å; F204-A243 HydrophobicContact CZ-CB 4.34Å; L237-A243 WeakPolarHBondContact O-CB 3.25Å; D240-A243 HydrophobicContact CB-CB 4.11Å; D240-A243 PolarHBondContact OD1-N 3.3Å; A243-D245 VanDerWaalsContact C-N 3.34Å; A243-D245 PolarHBondContact O-N 2.97Å; A243-A246 PolarHBondContact O-N 2.77Å; A243-L247 VanDerWaalsContact O-CB 3.31Å; A243-L247 WeakPolarHBondContact O-CB 3.48Å; A243-L247 WeakPolarHBondContact O-CG 3.31Å; A243-L247 PolarHBondContact O-N 2.61Å
244R96.5Very high95.9Very high62 Ų6246.3 Ų46.323%0.23424%0.235CC..Hα-helixtrans-57.3-44.8171.1179.9172.551.5-108.53.1112.2S238 D239 D240 L247 R248 L281S238-R244 WeakPolarHBondContact O-CD 3.44Å; S238-R244 PolarHBondContact O-NH1 2.82Å; D239-R244 PolarHBondContact O-NH1 3.32Å; D240-R244 WeakPolarHBondContact O-CB 3.25Å; D240-R244 PolarHBondContact O-N 3.22Å; R244-L247 PolarHBondContact O-N 2.94Å; R244-R248 PolarHBondContact O-N 3.17Å; R244-L281 HydrophobicContact CG-CD2 4.03Å; R244-L281 VanDerWaalsContact O-CD2 3.3Å; R244-L281 WeakPolarHBondContact O-CD2 3.04Å
245D94.6Very high95.8Very high80 Ų8046.4 Ų46.443%0.42824%0.236SC..Hα-helixtrans-65-42.5-179.9-72-8.1000111.8S241 R242 A243 R248S241-D245 VanDerWaalsContact O-CB 3.32Å; S241-D245 WeakPolarHBondContact O-CB 3.41Å; S241-D245 PolarHBondContact O-N 3.21Å; R242-D245 PolarHBondContact O-N 3.47Å; A243-D245 VanDerWaalsContact C-N 3.34Å; A243-D245 PolarHBondContact O-N 2.97Å; D245-R248 PolarHBondContact O-N 2.85Å; D245-R248 IonicContact OD1-CZ 3.91Å; D245-R248 IonicContact OD1-NH1 3.65Å; D245-R248 PolarHBondContact OD1-NH1 2.82Å; D245-R248 IonicContact OD1-NH2 3.02Å
246A95.4Very high95.6Very high22 Ų2250 Ų5018%0.18226%0.258CS..Hα-helixtrans-65.1-44.7173.900000112.5F204 R242 A243 R248 T249 C250F204-A246 HydrophobicContact CD1-CB 4.45Å; F204-A246 HydrophobicContact CE1-CB 3.48Å; F204-A246 VanDerWaalsContact CE1-CB 3.48Å; F204-A246 HydrophobicContact CZ-CB 3.75Å; R242-A246 WeakPolarHBondContact O-CB 3Å; R242-A246 PolarHBondContact O-N 3.3Å; A243-A246 PolarHBondContact O-N 2.77Å; A246-R248 PolarHBondContact O-N 3.4Å; A246-R248 VanDerWaalsContact O-N 3.15Å; A246-T249 PolarHBondContact O-N 3.26Å; A246-T249 PolarHBondContact O-OG1 3.46Å; A246-C250 PolarHBondContact O-N 2.93Å; A246-C250 PolarHBondContact O-SG 3.44Å; A246-C250 VanDerWaalsContact O-SG 3.36Å
247L96.3Very high95.3Very high0 Ų053.4 Ų53.40%028%0.278CS..Hα-helixtrans-57.6-27.7178.7-78172.9000113.2F204 Y234 L237 A243 R244 T249 C250 L251 L281F204-L247 HydrophobicContact CE2-CG 4.29Å; F204-L247 HydrophobicContact CZ-CD2 4.35Å; F204-L247 HydrophobicContact CZ-CG 4.11Å; Y234-L247 HydrophobicContact CD1-CD1 4.46Å; Y234-L247 HydrophobicContact CD1-CD2 3.63Å; Y234-L247 HydrophobicContact CE1-CD2 3.67Å; L237-L247 HydrophobicContact CB-CD1 3.9Å; A243-L247 VanDerWaalsContact O-CB 3.31Å; A243-L247 WeakPolarHBondContact O-CB 3.48Å; A243-L247 WeakPolarHBondContact O-CG 3.31Å; A243-L247 PolarHBondContact O-N 2.61Å; R244-L247 PolarHBondContact O-N 2.94Å; L247-T249 PolarHBondContact O-N 3.26Å; L247-T249 VanDerWaalsContact O-N 3.1Å; L247-C250 PolarHBondContact O-N 3.02Å; L247-L251 WeakPolarHBondContact O-CB 3.4Å; L247-L251 PolarHBondContact O-N 2.97Å; L247-L281 HydrophobicContact CB-CD1 4.42Å; L247-L281 HydrophobicContact CB-CD2 3.61Å
248R94.5Very high95.1Very high91 Ų9155.1 Ų55.134%0.34330%0.296SS..Hα-helixtrans-60.5-18.7172.1-64-159-166.684.93113.8R244 D245 A246 L281 V283R244-R248 PolarHBondContact O-N 3.17Å; D245-R248 PolarHBondContact O-N 2.85Å; D245-R248 IonicContact OD1-CZ 3.91Å; D245-R248 IonicContact OD1-NH1 3.65Å; D245-R248 PolarHBondContact OD1-NH1 2.82Å; D245-R248 IonicContact OD1-NH2 3.02Å; A246-R248 PolarHBondContact O-N 3.4Å; A246-R248 VanDerWaalsContact O-N 3.15Å; R248-L281 WeakPolarHBondContact CD-O 3.47Å; R248-L281 HydrophobicContact CG-CB 4.28Å; R248-L281 HydrophobicContact CG-CD2 3.92Å; R248-L281 PolarHBondContact NE-O 2.9Å; R248-V283 PolarHBondContact NH2-O 3.27Å
249T92.5Very high95Very high128 Ų12857.4 Ų57.479%0.78531%0.31SS*.Hα-helixtrans-109.2-23.4-179.666.90000113.8A246 L247A246-T249 PolarHBondContact O-N 3.26Å; A246-T249 PolarHBondContact O-OG1 3.46Å; L247-T249 PolarHBondContact O-N 3.26Å; L247-T249 VanDerWaalsContact O-N 3.1Å
250C93.6Very high94.9Very high56 Ų5654.6 Ų54.638%0.37830%0.295SS..Hα-helixtrans-119.46.1-175.467.50000115.9A246 L247A246-C250 PolarHBondContact O-N 2.93Å; A246-C250 PolarHBondContact O-SG 3.44Å; A246-C250 VanDerWaalsContact O-SG 3.36Å; L247-C250 PolarHBondContact O-N 3.02Å
251L94.5Very high94.8Very high32 Ų3257 Ų5717%0.16831%0.313CS..  trans-61.9131.2173.4-169.477000111Y234 L247 L255 V256 L277 L281Y234-L251 HydrophobicContact CD1-CD1 4.06Å; Y234-L251 HydrophobicContact CE1-CD1 4.26Å; Y234-L251 HydrophobicContact CG-CD1 4.3Å; L247-L251 WeakPolarHBondContact O-CB 3.4Å; L247-L251 PolarHBondContact O-N 2.97Å; L251-L255 HydrophobicContact CD1-CD1 3.85Å; L251-L255 HydrophobicContact CD2-CB 4.47Å; L251-L255 HydrophobicContact CG-CD1 4.32Å; L251-V256 HydrophobicContact CD2-CG2 3.66Å; L251-L277 HydrophobicContact CD1-CD2 4.28Å; L251-L281 HydrophobicContact CB-CD1 4.48Å; L251-L281 HydrophobicContact CD1-CD1 4.27Å; L251-L281 HydrophobicContact CD2-CD1 3.79Å; L251-L281 HydrophobicContact CG-CD1 4.41Å
252P95.6Very high94.7Very high6 Ų658.2 Ų58.24%0.03932%0.322CS..  trans-61.2135.6176.7-23.633.8000112.3D212 V215 Y234 Q254 L255D212-P252 HydrophobicContact CB-CG 4.02Å; D212-P252 WeakPolarHBondContact OD1-CG 3.48Å; V215-P252 HydrophobicContact CB-CB 3.98Å; V215-P252 HydrophobicContact CB-CG 4.05Å; V215-P252 HydrophobicContact CG1-CB 3.68Å; V215-P252 HydrophobicContact CG1-CG 4.27Å; V215-P252 HydrophobicContact CG2-CB 4.42Å; V215-P252 HydrophobicContact CG2-CG 4.13Å; Y234-P252 HydrophobicContact CE2-CG 4.48Å; Y234-P252 WeakPolarHBondContact OH-CD 3.39Å; Y234-P252 WeakPolarHBondContact OH-CG 3.46Å; P252-Q254 PolarHBondContact O-N 3.47Å; P252-L255 PolarHBondContact O-N 3.14Å
253Q94.3Very high94.6Very high123 Ų12353.7 Ų53.758%0.57531%0.308SS*.G310 helixtrans-64.6-27.8-173.6-61.4-169.3-87.100112.8L255 V256 D257Q253-L255 PolarHBondContact O-N 3.46Å; Q253-L255 VanDerWaalsContact O-N 3.14Å; Q253-V256 PolarHBondContact O-N 3.31Å; Q253-D257 PolarHBondContact O-N 3.3Å
254Q95.9Very high94.5Very high47 Ų4753.8 Ų53.822%0.2231%0.308CS..G310 helixtrans-63.2-19.8179.2-59.182.8-3.600113.5V215 A219 P252 V256 D257 T259 F260V215-Q254 HydrophobicContact CG1-CB 3.78Å; V215-Q254 HydrophobicContact CG1-CG 4.48Å; A219-Q254 HydrophobicContact CB-CG 4.24Å; P252-Q254 PolarHBondContact O-N 3.47Å; Q254-V256 VanDerWaalsContact C-N 3.28Å; Q254-D257 WeakPolarHBondContact CA-OD1 3.45Å; Q254-D257 WeakPolarHBondContact CA-OD2 3.49Å; Q254-D257 PolarHBondContact N-OD2 2.92Å; Q254-T259 HydrophobicContact CB-CG2 4.15Å; Q254-T259 HydrophobicContact CG-CG2 4.36Å; Q254-F260 HydrophobicContact CB-CE2 3.79Å; Q254-F260 HydrophobicContact CB-CZ 4.34Å; Q254-F260 WeakPolarHBondContact O-CD2 3.38Å; Q254-F260 WeakPolarHBondContact O-CE2 3.42Å
255L95.6Very high94.3Very high4 Ų457 Ų572%0.02133%0.326CS..G310 helixtrans-80.1-8.1172.8-66.8-179.3000113.1V215 L227 I231 Y234 L251 P252 Q253 F260 L274V215-L255 HydrophobicContact CG1-CD2 4.42Å; V215-L255 HydrophobicContact CG1-CG 4.17Å; V215-L255 HydrophobicContact CG2-CD1 4.14Å; V215-L255 HydrophobicContact CG2-CD2 4.29Å; V215-L255 HydrophobicContact CG2-CG 4.22Å; L227-L255 HydrophobicContact CD1-CD2 4.31Å; I231-L255 HydrophobicContact CD1-CD2 4.31Å; I231-L255 HydrophobicContact CG1-CD2 3.99Å; Y234-L255 HydrophobicContact CD2-CD1 3.77Å; Y234-L255 HydrophobicContact CE2-CD1 3.84Å; Y234-L255 HydrophobicContact CG-CD1 4.49Å; L251-L255 HydrophobicContact CD1-CD1 3.85Å; L251-L255 HydrophobicContact CD2-CB 4.47Å; L251-L255 HydrophobicContact CG-CD1 4.32Å; P252-L255 PolarHBondContact O-N 3.14Å; Q253-L255 PolarHBondContact O-N 3.46Å; Q253-L255 VanDerWaalsContact O-N 3.14Å; L255-F260 HydrophobicContact CD2-CD2 4.12Å; L255-F260 HydrophobicContact CD2-CE2 4Å; L255-L274 HydrophobicContact CB-CD1 4.09Å; L255-L274 HydrophobicContact CD2-CD1 4.25Å
256V93.5Very high94.2Very high87 Ų8760.1 Ų60.153%0.52734%0.342SS..THydrogen-bonded Turntrans-127.9-31.7-172.4-169.10000112.6L251 Q253 Q254 G258L251-V256 HydrophobicContact CD2-CG2 3.66Å; Q253-V256 PolarHBondContact O-N 3.31Å; Q254-V256 VanDerWaalsContact C-N 3.28Å; V256-G258 VanDerWaalsContact C-N 3.25Å; V256-G258 PolarHBondContact O-N 3.42Å
257D93.5Very high94.2Very high97 Ų9760.1 Ų60.152%0.51934%0.339SS..SBendtrans-75.6-7.2-178.264.124.2000114.9Q253 Q254 T259Q253-D257 PolarHBondContact O-N 3.3Å; Q254-D257 WeakPolarHBondContact CA-OD1 3.45Å; Q254-D257 WeakPolarHBondContact CA-OD2 3.49Å; Q254-D257 PolarHBondContact N-OD2 2.92Å; D257-T259 VanDerWaalsContact OD1-CB 3.24Å; D257-T259 WeakPolarHBondContact OD1-CB 3.39Å; D257-T259 PolarHBondContact OD1-N 2.6Å; D257-T259 PolarHBondContact OD1-OG1 2.92Å; D257-T259 PolarHBondContact OD2-OG1 3.48Å
258G92.4Very high94.2Very high35 Ų3563.2 Ų63.236%0.36136%0.358SS..SBendtrans93.45.2179.800000115.4V256 F260 S261V256-G258 VanDerWaalsContact C-N 3.25Å; V256-G258 PolarHBondContact O-N 3.42Å; G258-F260 PolarHBondContact O-N 3.16Å; G258-S261 WeakPolarHBondContact CA-OG 3.47Å; G258-S261 WeakPolarHBondContact O-CB 3.09Å; G258-S261 PolarHBondContact O-N 3.35Å; G258-S261 PolarHBondContact O-OG 3.42Å
259T95.9Very high94.2Very high48 Ų4860.8 Ų60.829%0.29436%0.357SS..THydrogen-bonded Turntrans-46.3-36.2178-69.30000114A219 Q254 D257A219-T259 HydrophobicContact CB-CG2 3.77Å; Q254-T259 HydrophobicContact CB-CG2 4.15Å; Q254-T259 HydrophobicContact CG-CG2 4.36Å; D257-T259 VanDerWaalsContact OD1-CB 3.24Å; D257-T259 WeakPolarHBondContact OD1-CB 3.39Å; D257-T259 PolarHBondContact OD1-N 2.6Å; D257-T259 PolarHBondContact OD1-OG1 2.92Å; D257-T259 PolarHBondContact OD2-OG1 3.48Å
260F95.6Very high94.4Very high4 Ų454.7 Ų54.72%0.01832%0.32CS..THydrogen-bonded Turntrans-98.69.3-178.2-58.3-67.2000114.9V215 L218 A219 L227 Q254 L255 G258 S262 L263 L264V215-F260 HydrophobicContact CG1-CE2 3.94Å; V215-F260 HydrophobicContact CG1-CZ 4.14Å; L218-F260 HydrophobicContact CB-CE1 3.95Å; L218-F260 HydrophobicContact CB-CZ 3.96Å; A219-F260 HydrophobicContact CB-CE1 4.45Å; A219-F260 HydrophobicContact CB-CZ 4.2Å; L227-F260 HydrophobicContact CD1-CD1 4.35Å; L227-F260 HydrophobicContact CD1-CD2 4.18Å; L227-F260 HydrophobicContact CD1-CE1 4.27Å; L227-F260 HydrophobicContact CD1-CE2 4.11Å; L227-F260 HydrophobicContact CD1-CG 4.29Å; L227-F260 HydrophobicContact CD1-CZ 4.16Å; L227-F260 HydrophobicContact CD2-CB 3.86Å; L227-F260 HydrophobicContact CD2-CD1 3.62Å; L227-F260 HydrophobicContact CD2-CD2 4.32Å; L227-F260 HydrophobicContact CD2-CE1 4.23Å; L227-F260 HydrophobicContact CD2-CG 3.67Å; Q254-F260 HydrophobicContact CB-CE2 3.79Å; Q254-F260 HydrophobicContact CB-CZ 4.34Å; Q254-F260 WeakPolarHBondContact O-CD2 3.38Å; Q254-F260 WeakPolarHBondContact O-CE2 3.42Å; L255-F260 HydrophobicContact CD2-CD2 4.12Å; L255-F260 HydrophobicContact CD2-CE2 4Å; G258-F260 PolarHBondContact O-N 3.16Å; F260-S262 VanDerWaalsContact C-N 3.35Å; F260-S262 PolarHBondContact O-N 2.86Å; F260-L263 HydrophobicContact CD1-CD2 4.25Å; F260-L263 PolarHBondContact O-N 3.45Å; F260-L264 HydrophobicContact CB-CD1 3.94Å; F260-L264 HydrophobicContact CB-CG 4.15Å; F260-L264 WeakPolarHBondContact O-CB 3.16Å; F260-L264 WeakPolarHBondContact O-CG 3.32Å; F260-L264 PolarHBondContact O-N 3.08Å
261S93.3Very high94.5Very high79 Ų7956.7 Ų56.755%0.55232%0.32SS*.THydrogen-bonded Turntrans-60.5-40-170.6-57.60000113.6G258 E265G258-S261 WeakPolarHBondContact CA-OG 3.47Å; G258-S261 WeakPolarHBondContact O-CB 3.09Å; G258-S261 PolarHBondContact O-N 3.35Å; G258-S261 PolarHBondContact O-OG 3.42Å; S261-E265 PolarHBondContact O-N 3.49Å
262S93.2Very high94.7Very high87 Ų8763.6 Ų63.661%0.60834%0.344SS*.THydrogen-bonded Turntrans-68.8-44.3175.548.60000112.1F260 L264 E265F260-S262 VanDerWaalsContact C-N 3.35Å; F260-S262 PolarHBondContact O-N 2.86Å; S262-L264 PolarHBondContact O-N 3.24Å; S262-E265 WeakPolarHBondContact O-CB 3.23Å; S262-E265 PolarHBondContact O-N 3.04Å
263L93.3Very high94.7Very high37 Ų3767 Ų6719%0.19436%0.355CS..THydrogen-bonded Turntrans-63.9-31178.4-169.862.9000112.4Q222 L224 L227 F260Q222-L263 HydrophobicContact CB-CD1 4.47Å; Q222-L263 HydrophobicContact CB-CD2 4.24Å; Q222-L263 VanDerWaalsContact O-CD1 3.23Å; Q222-L263 WeakPolarHBondContact O-CD1 3.45Å; Q222-L263 WeakPolarHBondContact O-CD2 3.48Å; L224-L263 HydrophobicContact CB-CD1 3.87Å; L224-L263 HydrophobicContact CB-CD2 4.37Å; L224-L263 HydrophobicContact CB-CG 4.03Å; L224-L263 HydrophobicContact CD1-CG 4.31Å; L227-L263 HydrophobicContact CD2-CD2 3.8Å; F260-L263 HydrophobicContact CD1-CD2 4.25Å; F260-L263 PolarHBondContact O-N 3.45Å
264L94.5Very high94.9Very high5 Ų562.1 Ų62.13%0.02633%0.334CS..THydrogen-bonded Turntrans-95.78179.2-63.4178.4000114L224 L227 I231 F260 S262 T270 R271 L274L224-L264 HydrophobicContact CD1-CD2 3.83Å; L227-L264 HydrophobicContact CD2-CD1 4.37Å; L227-L264 HydrophobicContact CD2-CD2 3.93Å; L227-L264 HydrophobicContact CD2-CG 4.15Å; I231-L264 HydrophobicContact CD1-CD1 4.07Å; F260-L264 HydrophobicContact CB-CD1 3.94Å; F260-L264 HydrophobicContact CB-CG 4.15Å; F260-L264 WeakPolarHBondContact O-CB 3.16Å; F260-L264 WeakPolarHBondContact O-CG 3.32Å; F260-L264 PolarHBondContact O-N 3.08Å; S262-L264 PolarHBondContact O-N 3.24Å; L264-T270 HydrophobicContact CD2-CG2 3.49Å; L264-T270 VanDerWaalsContact CD2-CG2 3.49Å; L264-R271 PolarHBondContact O-NH1 3.16Å; L264-L274 HydrophobicContact CD1-CD2 3.64Å
265E92.6Very high94.9Very high129 Ų12964.3 Ų64.360%0.60335%0.35SS*.SBendtrans-62.6-46.2-179.3-177172.5-156.500111.7S261 S262 R271S261-E265 PolarHBondContact O-N 3.49Å; S262-E265 WeakPolarHBondContact O-CB 3.23Å; S262-E265 PolarHBondContact O-N 3.04Å; E265-R271 PolarHBondContact O-NH1 3.45Å
266N92.8Very high94.9Very high145 Ų14567 Ų6778%0.77536%0.363SS*.SBendtrans-89.5-23.4-178.1-67.6-68.1000113.6V268N266-V268 PolarHBondContact O-N 3.37Å; N266-V268 VanDerWaalsContact O-N 3.14Å
267D95Very high95.1Very high22 Ų2262.9 Ų62.912%0.11834%0.337CS..  trans-8685.7176-168.2-18.8000111.9L224 A269 T270 R271L224-D267 HydrophobicContact CD1-CB 4.08Å; L224-D267 HydrophobicContact CD2-CB 4.34Å; D267-A269 PolarHBondContact O-N 3.4Å; D267-A269 PolarHBondContact OD1-N 2.95Å; D267-T270 VanDerWaalsContact CG-CB 3.45Å; D267-T270 PolarHBondContact OD1-N 3.26Å; D267-T270 PolarHBondContact OD1-OG1 3.24Å; D267-T270 VanDerWaalsContact OD2-CB 3.27Å; D267-T270 WeakPolarHBondContact OD2-CB 3.45Å; D267-T270 PolarHBondContact OD2-OG1 3.3Å; D267-R271 VanDerWaalsContact O-CB 3.22Å; D267-R271 WeakPolarHBondContact O-CB 3.28Å; D267-R271 PolarHBondContact O-N 3.1Å
268V95.4Very high95.1Very high65 Ų6560.8 Ų60.839%0.39433%0.326SS..Hα-helixtrans-60.6-31.3177-1750000112.3N266 R272N266-V268 PolarHBondContact O-N 3.37Å; N266-V268 VanDerWaalsContact O-N 3.14Å; V268-R272 WeakPolarHBondContact O-CB 3.26Å; V268-R272 WeakPolarHBondContact O-CD 3.45Å; V268-R272 WeakPolarHBondContact O-CG 3.35Å; V268-R272 PolarHBondContact O-N 2.98Å; V268-R272 VanDerWaalsContact O-N 3.11Å
269A95.9Very high95.2Very high40 Ų4065.9 Ų65.933%0.33133%0.334SS..Hα-helixtrans-74.6-52.2-177.500000111.1D267 R271 R272 W273D267-A269 PolarHBondContact O-N 3.4Å; D267-A269 PolarHBondContact OD1-N 2.95Å; A269-R271 VanDerWaalsContact C-N 3.3Å; A269-R271 PolarHBondContact O-N 3.05Å; A269-R272 WeakPolarHBondContact O-CB 3.24Å; A269-R272 PolarHBondContact O-N 3Å; A269-W273 VanDerWaalsContact O-CG 3.31Å; A269-W273 PolarHBondContact O-N 2.98Å
270T96.4Very high95.1Very high0 Ų065.1 Ų65.10%033%0.327CS..Hα-helixtrans-63.9-37177.5-57.80000111.3K228 I231 L264 D267 W273 L274K228-T270 HydrophobicContact CB-CG2 4.44Å; K228-T270 VanDerWaalsContact CG-OG1 3.31Å; K228-T270 WeakPolarHBondContact CG-OG1 3.42Å; I231-T270 HydrophobicContact CB-CG2 4.24Å; I231-T270 HydrophobicContact CD1-CG2 3.63Å; I231-T270 HydrophobicContact CG1-CG2 4.49Å; I231-T270 HydrophobicContact CG2-CG2 4.3Å; L264-T270 HydrophobicContact CD2-CG2 3.49Å; L264-T270 VanDerWaalsContact CD2-CG2 3.49Å; D267-T270 VanDerWaalsContact CG-CB 3.45Å; D267-T270 PolarHBondContact OD1-N 3.26Å; D267-T270 PolarHBondContact OD1-OG1 3.24Å; D267-T270 VanDerWaalsContact OD2-CB 3.27Å; D267-T270 WeakPolarHBondContact OD2-CB 3.45Å; D267-T270 PolarHBondContact OD2-OG1 3.3Å; T270-W273 PolarHBondContact O-N 3.01Å; T270-L274 PolarHBondContact O-N 3.04Å
271R96.4Very high95Very high98 Ų9865.7 Ų65.737%0.3733%0.33SS..Hα-helixtrans-60.6-46.1172.8-173.6165.371-110.518.9112.3L264 E265 D267 A269 W273 L274 T275L264-R271 PolarHBondContact O-NH1 3.16Å; E265-R271 PolarHBondContact O-NH1 3.45Å; D267-R271 VanDerWaalsContact O-CB 3.22Å; D267-R271 WeakPolarHBondContact O-CB 3.28Å; D267-R271 PolarHBondContact O-N 3.1Å; A269-R271 VanDerWaalsContact C-N 3.3Å; A269-R271 PolarHBondContact O-N 3.05Å; R271-W273 VanDerWaalsContact C-N 3.33Å; R271-W273 PolarHBondContact O-N 3.43Å; R271-L274 PolarHBondContact O-N 3.16Å; R271-T275 PolarHBondContact O-N 2.85Å; R271-T275 PolarHBondContact O-OG1 3.24Å; R271-T275 VanDerWaalsContact O-OG1 3.09Å
272R96.9Very high94.8Very high178 Ų17866.1 Ų66.167%0.67233%0.334SS*.Hα-helixtrans-60.2-40.7174.6-76.9169.5179.51771.9112.2V268 A269 T275 Q276V268-R272 WeakPolarHBondContact O-CB 3.26Å; V268-R272 WeakPolarHBondContact O-CD 3.45Å; V268-R272 WeakPolarHBondContact O-CG 3.35Å; V268-R272 PolarHBondContact O-N 2.98Å; V268-R272 VanDerWaalsContact O-N 3.11Å; A269-R272 WeakPolarHBondContact O-CB 3.24Å; A269-R272 PolarHBondContact O-N 3Å; R272-T275 PolarHBondContact O-N 3.47Å; R272-Q276 WeakPolarHBondContact O-CB 3.34Å; R272-Q276 PolarHBondContact O-N 3.16Å
273W97.2Very high94Very high76 Ų7666.1 Ų66.129%0.28833%0.329SS..Hα-helixtrans-62.6-43176.5-63.4-17000112.2K228 I231 R232 L235 A269 T270 R271 Q276 L277K228-W273 HydrophobicContact CG-CZ3 3.85Å; I231-W273 HydrophobicContact CG2-CB 3.9Å; R232-W273 HydrophobicContact CB-CE3 3.91Å; R232-W273 HydrophobicContact CB-CZ3 3.9Å; R232-W273 HydrophobicContact CG-CE3 4.3Å; R232-W273 HydrophobicContact CG-CZ3 4.16Å; L235-W273 HydrophobicContact CD2-CB 3.65Å; L235-W273 HydrophobicContact CD2-CG 3.85Å; A269-W273 VanDerWaalsContact O-CG 3.31Å; A269-W273 PolarHBondContact O-N 2.98Å; T270-W273 PolarHBondContact O-N 3.01Å; R271-W273 VanDerWaalsContact C-N 3.33Å; R271-W273 PolarHBondContact O-N 3.43Å; W273-Q276 PolarHBondContact O-N 2.9Å; W273-L277 WeakPolarHBondContact O-CB 3.41Å; W273-L277 PolarHBondContact O-N 3.46Å
274L97Very high92.5Very high22 Ų2274.4 Ų74.412%0.11536%0.358CS..Hα-helixtrans-63.9-45.4176.9-173.157.2000112.1I231 L255 L264 T270 R271 Q276 L277 I278I231-L274 HydrophobicContact CD1-CB 4.32Å; I231-L274 HydrophobicContact CD1-CD1 4.27Å; I231-L274 HydrophobicContact CD1-CD2 4.21Å; I231-L274 HydrophobicContact CG1-CD1 4.39Å; I231-L274 HydrophobicContact CG2-CB 4.13Å; I231-L274 HydrophobicContact CG2-CD1 4.48Å; L255-L274 HydrophobicContact CB-CD1 4.09Å; L255-L274 HydrophobicContact CD2-CD1 4.25Å; L264-L274 HydrophobicContact CD1-CD2 3.64Å; T270-L274 PolarHBondContact O-N 3.04Å; R271-L274 PolarHBondContact O-N 3.16Å; L274-Q276 VanDerWaalsContact C-N 3.32Å; L274-Q276 PolarHBondContact O-N 3.31Å; L274-L277 HydrophobicContact CD1-CD2 4.32Å; L274-L277 PolarHBondContact O-N 3.38Å; L274-I278 HydrophobicContact CD1-CD1 4.31Å; L274-I278 HydrophobicContact CG-CD1 4.1Å; L274-I278 WeakPolarHBondContact O-CG1 3.3Å; L274-I278 PolarHBondContact O-N 3.29Å
275T95.8Very high90.5Very high92 Ų9278 Ų7856%0.56439%0.389SS*.Hα-helixtrans-60.6-40.4175.1-51.80000111.9R271 R272 R279R271-T275 PolarHBondContact O-N 2.85Å; R271-T275 PolarHBondContact O-OG1 3.24Å; R271-T275 VanDerWaalsContact O-OG1 3.09Å; R272-T275 PolarHBondContact O-N 3.47Å; T275-R279 WeakPolarHBondContact O-CB 3.17Å; T275-R279 PolarHBondContact O-N 3.07Å
276Q96.5Very high88.1Confident61 Ų6179.1 Ų79.129%0.28540%0.404SS..Hα-helixtrans-66.8-40.1177.2169.861.511.900112.6L235 R272 W273 L274 R279 Q280L235-Q276 HydrophobicContact CD1-CB 4.21Å; L235-Q276 HydrophobicContact CD1-CG 3.58Å; R272-Q276 WeakPolarHBondContact O-CB 3.34Å; R272-Q276 PolarHBondContact O-N 3.16Å; W273-Q276 PolarHBondContact O-N 2.9Å; L274-Q276 VanDerWaalsContact C-N 3.32Å; L274-Q276 PolarHBondContact O-N 3.31Å; Q276-R279 PolarHBondContact O-N 3.17Å; Q276-R279 VanDerWaalsContact OE1-CZ 3.27Å; Q276-Q280 PolarHBondContact O-N 2.73Å
277L96.7Very high85.4Confident0 Ų075.3 Ų75.30%040%0.399CS..Hα-helixtrans-60.5-51.5174.1166.762000111L235 S238 L251 W273 L274 R279 Q280 L281L235-L277 HydrophobicContact CB-CB 4.4Å; L235-L277 HydrophobicContact CD1-CB 4.25Å; S238-L277 WeakPolarHBondContact OG-CD1 3.32Å; L251-L277 HydrophobicContact CD1-CD2 4.28Å; W273-L277 WeakPolarHBondContact O-CB 3.41Å; W273-L277 PolarHBondContact O-N 3.46Å; L274-L277 HydrophobicContact CD1-CD2 4.32Å; L274-L277 PolarHBondContact O-N 3.38Å; L277-R279 PolarHBondContact O-N 3.04Å; L277-Q280 PolarHBondContact O-N 2.84Å; L277-L281 HydrophobicContact CD1-CD1 3.7Å; L277-L281 HydrophobicContact CD1-CG 4.19Å; L277-L281 HydrophobicContact CG-CD1 4.21Å; L277-L281 WeakPolarHBondContact O-CG 3.32Å; L277-L281 PolarHBondContact O-N 3.22Å
278I95.2Very high82.4Confident53 Ų5379.8 Ų79.827%0.27243%0.432SS..Hα-helixtrans-58-39.6176.7-65.5166.1000110.2L274 L281 S282L274-I278 HydrophobicContact CD1-CD1 4.31Å; L274-I278 HydrophobicContact CG-CD1 4.1Å; L274-I278 WeakPolarHBondContact O-CG1 3.3Å; L274-I278 PolarHBondContact O-N 3.29Å; I278-L281 PolarHBondContact O-N 3.11Å; I278-S282 VanDerWaalsContact O-CB 3.28Å; I278-S282 WeakPolarHBondContact O-CB 3.15Å; I278-S282 PolarHBondContact O-N 3.34Å; I278-S282 PolarHBondContact O-OG 2.86Å
279R94.4Very high79.3Confident142 Ų14283.8 Ų83.854%0.53646%0.457SS..Hα-helixtrans-65.9-46.2176.6-168.8-17571.791.1-6112.8T275 Q276 L277 L281 S282 V283T275-R279 WeakPolarHBondContact O-CB 3.17Å; T275-R279 PolarHBondContact O-N 3.07Å; Q276-R279 PolarHBondContact O-N 3.17Å; Q276-R279 VanDerWaalsContact OE1-CZ 3.27Å; L277-R279 PolarHBondContact O-N 3.04Å; R279-L281 VanDerWaalsContact C-N 3.28Å; R279-L281 PolarHBondContact O-N 3.43Å; R279-S282 PolarHBondContact O-N 3.15Å; R279-V283 WeakPolarHBondContact O-CG2 3.28Å; R279-V283 PolarHBondContact O-N 3.03Å; R279-V283 VanDerWaalsContact O-N 3.11Å
280Q93.5Very high76.3Confident32 Ų3286.7 Ų86.715%0.1548%0.48CS..Hα-helixtrans-58.4-39.8176.5-83179-29.100111.8S238 D239 Q276 L277S238-Q280 PolarHBondContact OG-OE1 3.06Å; D239-Q280 PolarHBondContact OD1-NE2 3.17Å; Q276-Q280 PolarHBondContact O-N 2.73Å; L277-Q280 PolarHBondContact O-N 2.84Å
281L93.3Very high73.4Confident16 Ų1693.6 Ų93.68%0.08452%0.523CS..Hα-helixtrans-74.6-35.9177.4-64.4171.8000112.2R244 L247 R248 L251 L277 I278 R279 V283R244-L281 HydrophobicContact CG-CD2 4.03Å; R244-L281 VanDerWaalsContact O-CD2 3.3Å; R244-L281 WeakPolarHBondContact O-CD2 3.04Å; L247-L281 HydrophobicContact CB-CD1 4.42Å; L247-L281 HydrophobicContact CB-CD2 3.61Å; R248-L281 WeakPolarHBondContact CD-O 3.47Å; R248-L281 HydrophobicContact CG-CB 4.28Å; R248-L281 HydrophobicContact CG-CD2 3.92Å; R248-L281 PolarHBondContact NE-O 2.9Å; L251-L281 HydrophobicContact CB-CD1 4.48Å; L251-L281 HydrophobicContact CD1-CD1 4.27Å; L251-L281 HydrophobicContact CD2-CD1 3.79Å; L251-L281 HydrophobicContact CG-CD1 4.41Å; L277-L281 HydrophobicContact CD1-CD1 3.7Å; L277-L281 HydrophobicContact CD1-CG 4.19Å; L277-L281 HydrophobicContact CG-CD1 4.21Å; L277-L281 WeakPolarHBondContact O-CG 3.32Å; L277-L281 PolarHBondContact O-N 3.22Å; I278-L281 PolarHBondContact O-N 3.11Å; R279-L281 VanDerWaalsContact C-N 3.28Å; R279-L281 PolarHBondContact O-N 3.43Å; L281-V283 VanDerWaalsContact C-N 3.32Å; L281-V283 PolarHBondContact O-N 3.22Å
282S88.8Confident70.6Confident89 Ų8994.8 Ų94.862%0.62255%0.546SS*.Hα-helixtrans-68.3-27.8178.8-59.30000113.5I278 R279 R284I278-S282 VanDerWaalsContact O-CB 3.28Å; I278-S282 WeakPolarHBondContact O-CB 3.15Å; I278-S282 PolarHBondContact O-N 3.34Å; I278-S282 PolarHBondContact O-OG 2.86Å; R279-S282 PolarHBondContact O-N 3.15Å; S282-R284 PolarHBondContact O-N 3.29Å
283V77.3Confident68Low86 Ų8691.4 Ų91.452%0.52155%0.55SS..SBendtrans-72.1100.3174176.60000109.5R248 R279 L281R248-V283 PolarHBondContact NH2-O 3.27Å; R279-V283 WeakPolarHBondContact O-CG2 3.28Å; R279-V283 PolarHBondContact O-N 3.03Å; R279-V283 VanDerWaalsContact O-N 3.11Å; L281-V283 VanDerWaalsContact C-N 3.32Å; L281-V283 PolarHBondContact O-N 3.22Å
284R61.3Low65.4Low211 Ų21193.8 Ų93.880%0.79657%0.573SS**  trans-67137.2167.7-168.2176-174.3178.61.3109.2S282 V286S282-R284 PolarHBondContact O-N 3.29Å; R284-V286 PolarHBondContact O-N 3.37Å
285A52Low62.4Low81 Ų8198.9 Ų98.967%0.66961%0.608SS**  trans-68.3100.8-179.600000111.4G287A285-G287 PolarHBondContact O-N 3.41Å
286V41.6Very low59.8Low153 Ų15399.5 Ų99.593%0.92762%0.622SS**  trans-80.889.3170.5-178.70000107.7R284R284-V286 PolarHBondContact O-N 3.37Å
287G37.3Very low57Low64 Ų64102 Ų10266%0.6665%0.646SS**  trans-172.729.1-167.800000119.2A285A285-G287 PolarHBondContact O-N 3.41Å
288S31.1Very low54.3Low116 Ų116108 Ų10881%0.81169%0.688SS**SBendtrans-174.187.7161-84.50000112.5
289T29.8Very low51.6Low150 Ų150112.2 Ų112.292%0.9272%0.716SS**  trans156.988.3152.733.90000111.2
290A32.8Very low48.9Very low100 Ų100110.3 Ų110.383%0.82673%0.725SS**  trans-165.362.7172.200000114.4
291T37.1Very low46.2Very low145 Ų145113.9 Ų113.989%0.8975%0.753SS**  trans-136.494.5166.331.30000109.9
292S36.7Very low43.8Very low124 Ų124118.8 Ų118.887%0.86778%0.783SS**  trans-115.993.5-172.857.50000112.4
293S41.9Very low41.2Very low106 Ų106121.5 Ų121.574%0.74179%0.791SS**  trans-163.6131.4172.853.40000106.6
294T42.2Very low39.3Very low126 Ų126122.9 Ų122.977%0.77380%0.799SS**  cis-151.614910-61.20000107.4A296T294-A296 PolarHBondContact O-N 3.25Å
295P35.2Very low38Very low130 Ų130119.4 Ų119.484%0.84480%0.797SS**  trans-75.1127.9-175.329-35.6000113.6
296A40.2Very low37.1Very low105 Ų105121.4 Ų121.487%0.86880%0.8SS**  trans-149142.5163.800000110.9T294T294-A296 PolarHBondContact O-N 3.25Å
297S38.1Very low36.7Very low114 Ų114121.4 Ų121.480%0.79779%0.794SS**  trans-74.1141.2-171.851.70000115.6
298S39.8Very low36.3Very low125 Ų125125.4 Ų125.487%0.87480%0.801SS**  -175.3166.2119.838.80000112.7
299V39.5Very low36.4Very low141 Ų141125.7 Ų125.786%0.85580%0.798SS**  trans-102.8136.4-160.7179.90000112.2
300S37.8Very low36.4Very low103 Ų103124.1 Ų124.172%0.7279%0.788SS**  168.8141.8127.444.30000114.5
301S37Very low36.3Very low107 Ų107126.8 Ų126.875%0.74879%0.789SS**  trans26.3135.3147.664.90000120.4
302V42.6Very low36Very low118 Ų118123.9 Ų123.972%0.71578%0.779SS**  cis-156.6143.143.3167.90000111.7
303D34.7Very low35.9Very low146 Ų146125.9 Ų125.978%0.78178%0.778SS**  trans14.2151.6145.4-54.5-21.8000122.9
304V35.5Very low35.4Very low115 Ų115131 Ų13170%0.69778%0.781SS**  cis-171.5160.6-24.3117.50000108.5
305N35.8Very low34.9Very low139 Ų139131.9 Ų131.974%0.74379%0.787SS**  trans64.6113.8179.5-59.9-28.8000115.1
306T32Very low34.7Very low122 Ų122129.8 Ų129.875%0.74878%0.78SS**  cis67.3101.318.6-46.70000115.6
307L33.4Very low34.2Very low153 Ų153133 Ų13380%0.80178%0.782SS**  trans166.298.5143.8-91.7159.2000107.6
308N28.6Very low33.8Very low149 Ų149136.4 Ų136.480%0.79778%0.782SS**  39.182.678.4-86.6-3.1000114.8
309T33Very low33.2Very low122 Ų122137.3 Ų137.375%0.74878%0.783SS**  trans-142.998.2150.4-63.50000110.3
310T31.1Very low32.8Very low116 Ų116135 Ų13571%0.71277%0.773SS**  trans-74.2156.3162.5-27.20000109.4
311N29.5Very low32.2Very low157 Ų157136.4 Ų136.484%0.8478%0.778SS**  trans70.267.7169.3-51.3-28.2000117.4
312A31.6Very low32Very low83 Ų83138.4 Ų138.469%0.68678%0.778SS**  trans-142.918.1171.400000116.5
313I34.4Very low31.2Very low166 Ų166137.9 Ų137.985%0.85178%0.78SS**  trans-127.271.4-175.8-44.2179.9000112.1
314R31.1Very low30.9Very low214 Ų214135.8 Ų135.881%0.80878%0.777SS**SBendtrans-138.79.2166.1-114.2-178.4-176.2-159.8-2.1114.6
315T31.5Very low30.5Very low145 Ų145135 Ų13589%0.8978%0.777SS**SBendtrans-141.144.6-166.7-28.80000113.4
316A31.4Very low30.3Very low86 Ų86134.4 Ų134.471%0.71178%0.777SS**  trans-132.6-18.1177.600000114.9K318A316-K318 VanDerWaalsContact C-N 3.29Å; A316-K318 PolarHBondContact O-N 3.38Å; A316-K318 VanDerWaalsContact O-N 3.09Å
317L29.9Very low30.1Very low172 Ų172134 Ų13490%0.90178%0.775SS**  trans-9059.8-177.7-76.1159.8000112.4
318K29.2Very low29.8Very low185 Ų185132.3 Ų132.380%0.80477%0.77SS**SBendtrans-136.4149.4158.7-72.1-174.1177.6178.20107.5A316A316-K318 VanDerWaalsContact C-N 3.29Å; A316-K318 PolarHBondContact O-N 3.38Å; A316-K318 VanDerWaalsContact O-N 3.09Å
319T28.1Very low29.7Very low145 Ų145131 Ų13189%0.8977%0.768SS**  trans60.577.4-175.665.90000116.5
320S29.7Very low29.6Very low91 Ų91131.1 Ų131.164%0.63677%0.769SS**  trans-142.284154.648.30000110.5I322S320-I322 PolarHBondContact O-N 3.07Å
321T27.1Very low29.5Very low134 Ų134130.9 Ų130.982%0.82277%0.772SS**  trans-7592.2177.4-51.70000110S323T321-S323 PolarHBondContact O-N 3.18Å
322I31.3Very low29.3Very low148 Ų148130 Ų13076%0.75977%0.772SS**  trans-87.394.3176.1-59.3178.5000109.5S320 S324S320-I322 PolarHBondContact O-N 3.07Å; I322-S324 PolarHBondContact O-N 3.29Å
323S25.7Very low29.3Very low107 Ų107133.1 Ų133.175%0.74878%0.782SS**  trans-72.7101.5165.2-62.30000109.6T321 S325T321-S323 PolarHBondContact O-N 3.18Å; S323-S325 PolarHBondContact O-N 2.95Å
324S29.3Very low28.9Very low103 Ų103130.8 Ų130.872%0.7278%0.781SS**  trans-94.191.3173.5-165.20000110.8I322 V326I322-S324 PolarHBondContact O-N 3.29Å; S324-V326 PolarHBondContact O-N 3.32Å
325S27.7Very low29Very low99 Ų99126.8 Ų126.869%0.69279%0.785SS**  trans-84.297.5173.754.10000110.4S323 V327S323-S325 PolarHBondContact O-N 2.95Å; S325-V327 PolarHBondContact O-N 3.19Å
326V30.4Very low29.1Very low125 Ų125125.5 Ų125.576%0.75878%0.782SS**  trans-71.5110.6171.8179.20000109.1S324S324-V326 PolarHBondContact O-N 3.32Å
327V27.7Very low29Very low115 Ų115124.6 Ų124.670%0.69778%0.781SS**  trans-89.1108.8178.5177.70000109.5S325 T329S325-V327 PolarHBondContact O-N 3.19Å; V327-T329 HydrophobicContact CG1-CG2 4.43Å; V327-T329 PolarHBondContact O-N 3.04Å
328T27.9Very low29.2Very low116 Ų116122.5 Ų122.571%0.71278%0.778SS**  trans-81.999.4172.7-51.50000110.4V330T328-V330 HydrophobicContact CG2-CG2 4.06Å; T328-V330 PolarHBondContact O-N 2.96Å
329T27Very low29.4Very low123 Ų123118.1 Ų118.176%0.75577%0.771SS**  trans-74107.916950.10000110.3V327V327-T329 HydrophobicContact CG1-CG2 4.43Å; V327-T329 PolarHBondContact O-N 3.04Å
330V29.9Very low29.6Very low124 Ų124117.6 Ų117.675%0.75277%0.767SS**  trans-95.2115.2172.5-177.10000109.3T328 T332T328-V330 HydrophobicContact CG2-CG2 4.06Å; T328-V330 PolarHBondContact O-N 2.96Å; V330-T332 PolarHBondContact O-N 2.62Å
331S29.3Very low29.8Very low111 Ų111118.3 Ų118.378%0.77677%0.772SS**  trans-69.8123.8177.2-59.80000111.3
332T25Very low29.9Very low139 Ų139119.5 Ų119.585%0.85377%0.773SS**  trans-70.8136177.348.80000112.4V330V330-T332 PolarHBondContact O-N 2.62Å
333V31.6Very low30.1Very low147 Ų147119.2 Ų119.289%0.89178%0.779SS**  trans-127.8136.2157.5-164.30000107.6
334S26.4Very low30.5Very low118 Ų118120.7 Ų120.783%0.82578%0.783SS**  trans-111.8140.4-162.548.70000114.1
335S32.1Very low30.7Very low129 Ų129119.7 Ų119.790%0.90279%0.789SS**  trans-153.3156.5156.8600000110.6
336S35Very low31.1Very low118 Ų118119.9 Ų119.983%0.82580%0.796SS**  trans-102145.8-169.149.90000113.5
337G27.8Very low31.5Very low67 Ų67120 Ų12069%0.69180%0.8SS**  trans-82.7-149.916400000112.3
338P35.8Very low32Very low128 Ų128120.1 Ų120.183%0.83181%0.806SS**  cis-122.6-141.8-0.340.2-19.9000110.1
339S31.9Very low32.2Very low94 Ų94119.3 Ų119.366%0.65781%0.805SS**  cis-164.3170.5-1.5410000110.4
340V33.8Very low32.6Very low133 Ų133119.3 Ų119.381%0.80681%0.805SS**  trans62.5151.2165.2-114.50000116.4
341S33.6Very low32.8Very low107 Ų107119 Ų11975%0.74881%0.808SS**  cis-147.3162.510.8-61.20000113.5
342N28.4Very low32.8Very low158 Ų158117.4 Ų117.485%0.84581%0.809SS**  trans-75.5148.9170-67.5-24.7000113.5
343V35.6Very low33.1Very low143 Ų143115.4 Ų115.487%0.86781%0.807SS**  trans-141.3144139177.90000109.8
344T34.4Very low32.9Very low138 Ų138117.8 Ų117.885%0.84781%0.808SS**  trans-80.3152.3-172.748.80000116
345G33.6Very low33.1Very low82 Ų82117.8 Ų117.885%0.84580%0.803SS**  trans-155.9132.8159.600000111
346A36.3Very low32.9Very low102 Ų102117.3 Ų117.384%0.84380%0.8SS**  trans-119.3164.4-168.400000113
347P39Very low32.7Very low129 Ų129117.1 Ų117.184%0.83879%0.794SS**  trans-111.5162.1-150.540.8-35.7000117.3
348S37.4Very low32.8Very low116 Ų116119.3 Ų119.381%0.81180%0.799SS**  trans-165.5159.8160.4570000108.4
349S33.2Very low32.4Very low99 Ų99118.5 Ų118.569%0.69279%0.794SS**  cis-176.2159.2-28.153.50000108.4
350T34.6Very low32.4Very low123 Ų123119.3 Ų119.376%0.75580%0.797SS**  trans83.4123.8153.1-50.30000119.8
351S34.6Very low32.3Very low118 Ų118118.4 Ų118.483%0.82579%0.792SS**  trans59.7147.8159.8-63.50000120.3
352G28.8Very low32.1Very low77 Ų77117.4 Ų117.479%0.79479%0.785SS**  cis135.880-5.100000113.9
353A31.6Very low32.1Very low97 Ų97115 Ų11580%0.80278%0.781SS**  trans-150.5127.716800000110.4
354Q27.3Very low31.9Very low197 Ų197111.6 Ų111.692%0.92176%0.763SS**  trans-88126.6169-65.9176-69.100109
355V30.6Very low31.6Very low118 Ų118110.9 Ų110.972%0.71576%0.764SS**  trans-126.598.8167.3-178.70000108.7T357V355-T357 HydrophobicContact CG1-CG2 3.96Å
356S26.8Very low31.6Very low120 Ų120111 Ų11184%0.83975%0.748SS**  trans-94.588.8176.552.70000110.4
357T31.9Very low31.4Very low114 Ų114110.4 Ų110.470%0.69973%0.73SS**  trans-102.4102.1175.3390000110.8V355 C359V355-T357 HydrophobicContact CG1-CG2 3.96Å; T357-C359 PolarHBondContact O-N 3.16Å
358S29.9Very low30.9Very low113 Ų113110.1 Ų110.179%0.7972%0.722SS**  trans-79.9101.3174.453.90000111.1P360S358-P360 WeakPolarHBondContact O-CD 3.14Å
359C27.7Very low30.6Very low110 Ų110110.8 Ų110.874%0.74372%0.723SS**  trans-66.2124.9164-66.30000109.4T357T357-C359 PolarHBondContact O-N 3.16Å
360P30.9Very low30.6Very low111 Ų111109.9 Ų109.972%0.72172%0.722SS**  trans-68.1139.5168.929.7-33000109.1S358 S362S358-P360 WeakPolarHBondContact O-CD 3.14Å; P360-S362 PolarHBondContact O-N 3.17Å
361V32.1Very low30.5Very low114 Ų114108.9 Ų108.969%0.69173%0.726SS**  trans-74.698.8168.6178.30000107.1S363V361-S363 PolarHBondContact O-N 2.93Å
362S29.9Very low30.3Very low86 Ų86109.2 Ų109.260%0.60173%0.728SS**  trans-60.1100.5169.9-64.20000109.1P360 S364P360-S362 PolarHBondContact O-N 3.17Å; S362-S364 VanDerWaalsContact C-N 3.3Å; S362-S364 PolarHBondContact O-N 3.31Å
363S27.7Very low30.4Very low109 Ų109110.8 Ų110.876%0.76273%0.727SS**  trans-70.986.4175.356.10000109.3V361 S365V361-S363 PolarHBondContact O-N 2.93Å; S363-S365 PolarHBondContact O-N 2.78Å
364S32Very low30.5Very low71 Ų71111.9 Ų111.950%0.49773%0.729SS.*  trans-60.2123.1-179.642.20000110.8S362 V366S362-S364 VanDerWaalsContact C-N 3.3Å; S362-S364 PolarHBondContact O-N 3.31Å; S364-V366 PolarHBondContact O-N 3.35Å
365S28.8Very low30.9Very low122 Ų122112 Ų11285%0.85375%0.751SS**  trans-76.988.4-169.151.10000112S363S363-S365 PolarHBondContact O-N 2.78Å
366V32.9Very low31Very low85 Ų85111.7 Ų111.752%0.51575%0.753SS.*  trans-137.159.7-178.3-1640000112.3K146 S364K146-V366 HydrophobicContact CD-CG1 4.25Å; K146-V366 VanDerWaalsContact CE-CG1 3.5Å; S364-V366 PolarHBondContact O-N 3.35Å
367L31.2Very low31.2Very low89 Ų89111.3 Ų111.347%0.46675%0.749SS.*  trans-144.665.1168.3-84.9-175.7000112.6
368D29.4Very low31.1Very low124 Ų124111.1 Ų111.166%0.66375%0.751SS**  trans-156.1119.6148.8-99-31.7000112.3K228K228-D368 IonicContact NZ-OD1 2.74Å; K228-D368 PolarHBondContact NZ-OD1 2.62Å; K228-D368 VanDerWaalsContact NZ-OD1 3.08Å
369P30.2Very low31.2Very low129 Ų129111 Ų11184%0.83875%0.749SS**  trans-112.192.9157.833.2-20.4000109
370A34.3Very low31.4Very low81 Ų81111.1 Ų111.167%0.66975%0.75SS**  trans-130.195.7-173.800000112.8
371A32.1Very low31.5Very low102 Ų102111.1 Ų111.184%0.84375%0.752SS**  trans45.7101.9154.200000119.6
372S31Very low31.4Very low125 Ų125110.9 Ų110.987%0.87476%0.756SS**  trans-141.593.8151.363.40000110.9
373S29.9Very low31.5Very low110 Ų110112.8 Ų112.877%0.76977%0.768SS**  trans-146.6160166.459.40000109.5
374S35.3Very low31.9Very low119 Ų119113.1 Ų113.183%0.83277%0.768SS**  trans65.667.3-174.561.10000117
375S35.5Very low31.9Very low200 Ų200116.9 Ų116.9100%1.39979%0.793SS**  -151.10124.5-71.50000108.6

Retrieved 375 of 375 residues in 222.6 ms (Link to these results)

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