A0A060WJC0_ONCMY Loading...

DUF4706 domain-containing protein

AlphaFold DB , UniProt , Accession A0A060WJC0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 366 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
1M37.3Very low56.6Low247 Ų247116.1 Ų116.1100%1.21769%0.69SS**  01210-68.1173.6177.200106.5
2T39.5Very low59Low144 Ų144114.9 Ų114.988%0.88367%0.672SS**  trans-106.2118.8-174.6-44.40000108.1
3A41.1Very low61.4Low90 Ų90116.3 Ų116.374%0.74466%0.659SS**  trans-71.5131.8176.900000109.6
4P51Low63.5Low118 Ų118114.3 Ų114.377%0.76664%0.643SS**  trans-67.7143.7172.229.3-33.7000110M6P4-M6 PolarHBondContact O-N 2.79Å; P4-M6 VanDerWaalsContact O-N 3.15Å
5S49.6Very low65.2Low90 Ų90111.2 Ų111.263%0.62962%0.621SS**  trans-65.2114.6-178.6-176.70000111E7S5-E7 PolarHBondContact O-N 3.42Å
6M56.2Low66.8Low172 Ų172113 Ų11385%0.84762%0.623SS**Hα-helixtrans-66.7-21.7177.5-68.8-177.665.800112.7P4 A9P4-M6 PolarHBondContact O-N 2.79Å; P4-M6 VanDerWaalsContact O-N 3.15Å; M6-A9 PolarHBondContact O-N 3.03Å
7E54.1Low68.5Low160 Ų160112.1 Ų112.175%0.74861%0.611SS**Hα-helixtrans-75-37.1-175-163.3155.3-165.500112.1S5 A9 D10 V11S5-E7 PolarHBondContact O-N 3.42Å; E7-A9 PolarHBondContact O-N 2.64Å; E7-D10 PolarHBondContact O-N 3.23Å; E7-V11 PolarHBondContact O-N 2.97Å
8G62Low69.9Low29 Ų29112.3 Ų112.330%0.29961%0.605SS.*Hα-helixtrans-63.9-27.8173.400000113.5V11 H12G8-V11 PolarHBondContact O-N 3.37Å; G8-H12 PolarHBondContact O-CD2 3.36Å; G8-H12 PolarHBondContact O-N 3.14Å
9A69.1Low71.1Confident63 Ų63109.1 Ų109.152%0.52159%0.588SS.*Hα-helixtrans-67.9-39.1-17900000112.8M6 E7 R13M6-A9 PolarHBondContact O-N 3.03Å; E7-A9 PolarHBondContact O-N 2.64Å; A9-R13 WeakPolarHBondContact O-CB 3.23Å; A9-R13 PolarHBondContact O-N 3.09Å; A9-R13 VanDerWaalsContact O-N 3.1Å
10D80.6Confident72.4Confident77 Ų77110.4 Ų110.441%0.41259%0.59SS.*Hα-helixtrans-77.9-27.1176-156.246.7000112.2E7 R13 M14E7-D10 PolarHBondContact O-N 3.23Å; D10-R13 PolarHBondContact O-N 2.97Å; D10-R13 WeakPolarHBondContact OD1-CD 3.44Å; D10-R13 IonicContact OD1-CZ 3.98Å; D10-R13 IonicContact OD1-NE 3.67Å; D10-R13 IonicContact OD1-NH1 2.55Å; D10-R13 PolarHBondContact OD1-NH1 3.28Å; D10-M14 VanDerWaalsContact O-CB 3.29Å; D10-M14 WeakPolarHBondContact O-CB 3.27Å; D10-M14 PolarHBondContact O-N 3.47Å
11V82.4Confident73.5Confident87 Ų87112.2 Ų112.253%0.52759%0.59SS.*Hα-helixtrans-61.3-51169.9175.10000110.9E7 G8 R13 M14 E15E7-V11 PolarHBondContact O-N 2.97Å; G8-V11 PolarHBondContact O-N 3.37Å; V11-R13 VanDerWaalsContact C-N 3.34Å; V11-R13 PolarHBondContact O-N 3.36Å; V11-M14 CarbonylContact O-C 3.58Å; V11-M14 WeakPolarHBondContact O-CB 3.49Å; V11-M14 PolarHBondContact O-N 3.39Å; V11-M14 VanDerWaalsContact O-N 3.11Å; V11-E15 PolarHBondContact O-N 3.24Å
12H84.9Confident76.3Confident102 Ų102105 Ų10547%0.47255%0.552SS.*Hα-helixtrans-63.3-38.6176.1-71.4-58.9000112.6G8 M14 E15 Q16G8-H12 PolarHBondContact O-CD2 3.36Å; G8-H12 PolarHBondContact O-N 3.14Å; H12-M14 VanDerWaalsContact C-N 3.26Å; H12-M14 PolarHBondContact O-N 3.36Å; H12-E15 IonicContact ND1-OE2 2.69Å; H12-E15 PolarHBondContact O-N 3.16Å; H12-Q16 WeakPolarHBondContact O-CB 3.27Å; H12-Q16 PolarHBondContact O-N 3.48Å
13R91Very high79Confident133 Ų13399.6 Ų99.650%0.50252%0.52SS..Hα-helixtrans-62.5-32.6173.3178.9173.9169.8-101.57.9112.5A9 D10 V11 K17A9-R13 WeakPolarHBondContact O-CB 3.23Å; A9-R13 PolarHBondContact O-N 3.09Å; A9-R13 VanDerWaalsContact O-N 3.1Å; D10-R13 PolarHBondContact O-N 2.97Å; D10-R13 WeakPolarHBondContact OD1-CD 3.44Å; D10-R13 IonicContact OD1-CZ 3.98Å; D10-R13 IonicContact OD1-NE 3.67Å; D10-R13 IonicContact OD1-NH1 2.55Å; D10-R13 PolarHBondContact OD1-NH1 3.28Å; V11-R13 VanDerWaalsContact C-N 3.34Å; V11-R13 PolarHBondContact O-N 3.36Å; R13-K17 WeakPolarHBondContact O-CG 3.22Å; R13-K17 PolarHBondContact O-N 2.9Å
14M90.2Very high81.7Confident88 Ų8899 Ų9943%0.43351%0.51SS..Hα-helixtrans-75.7-38.8173.5-16866.771.700111.9D10 V11 H12 K17 K18D10-M14 VanDerWaalsContact O-CB 3.29Å; D10-M14 WeakPolarHBondContact O-CB 3.27Å; D10-M14 PolarHBondContact O-N 3.47Å; V11-M14 CarbonylContact O-C 3.58Å; V11-M14 WeakPolarHBondContact O-CB 3.49Å; V11-M14 PolarHBondContact O-N 3.39Å; V11-M14 VanDerWaalsContact O-N 3.11Å; H12-M14 VanDerWaalsContact C-N 3.26Å; H12-M14 PolarHBondContact O-N 3.36Å; M14-K17 PolarHBondContact O-N 3.39Å; M14-K18 VanDerWaalsContact O-CG 3.31Å; M14-K18 WeakPolarHBondContact O-CG 3.46Å; M14-K18 PolarHBondContact O-N 2.88Å
15E88.3Confident83.9Confident68 Ų6897.8 Ų97.832%0.31850%0.496SS..Hα-helixtrans-58.1-47.9170.3-73-158.1119.100111.2V11 H12 K17 K18 L19 K40V11-E15 PolarHBondContact O-N 3.24Å; H12-E15 IonicContact ND1-OE2 2.69Å; H12-E15 PolarHBondContact O-N 3.16Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.22Å; E15-K18 WeakPolarHBondContact O-CB 3.24Å; E15-K18 PolarHBondContact O-N 3.02Å; E15-K18 VanDerWaalsContact O-N 3.12Å; E15-L19 PolarHBondContact O-N 3.37Å; E15-K40 IonicContact OE1-NZ 2.64Å; E15-K40 PolarHBondContact OE1-NZ 2.97Å; E15-K40 IonicContact OE2-NZ 3.14Å; E15-K40 PolarHBondContact OE2-NZ 3.45Å
16Q91.9Very high86.1Confident140 Ų14097.2 Ų97.265%0.65449%0.486SS*.Hα-helixtrans-60.2-42.5-179.8-169.217619.100112H12 L19 E20H12-Q16 WeakPolarHBondContact O-CB 3.27Å; H12-Q16 PolarHBondContact O-N 3.48Å; Q16-L19 PolarHBondContact O-N 3.03Å; Q16-E20 WeakPolarHBondContact O-CB 3.45Å; Q16-E20 PolarHBondContact O-N 3.17Å
17K95.1Very high88.1Confident97 Ų9793.8 Ų93.842%0.42248%0.479SS..Hα-helixtrans-65.4-37174.2-75.2176.1177.1-1770113.4R13 M14 E15 Y21R13-K17 WeakPolarHBondContact O-CG 3.22Å; R13-K17 PolarHBondContact O-N 2.9Å; M14-K17 PolarHBondContact O-N 3.39Å; E15-K17 VanDerWaalsContact C-N 3.34Å; E15-K17 PolarHBondContact O-N 3.22Å; K17-Y21 VanDerWaalsContact O-CB 3.26Å; K17-Y21 WeakPolarHBondContact O-CB 3.39Å; K17-Y21 PolarHBondContact O-N 2.84Å
18K93.5Very high90.1Very high116 Ų11691.8 Ų91.850%0.50447%0.471SS..Hα-helixtrans-62.5-46.2173-72166.7179.8176.60110.1M14 E15 Y21 F22M14-K18 VanDerWaalsContact O-CG 3.31Å; M14-K18 WeakPolarHBondContact O-CG 3.46Å; M14-K18 PolarHBondContact O-N 2.88Å; E15-K18 WeakPolarHBondContact O-CB 3.24Å; E15-K18 PolarHBondContact O-N 3.02Å; E15-K18 VanDerWaalsContact O-N 3.12Å; K18-Y21 PolarHBondContact O-N 3.23Å; K18-F22 HydrophobicContact CB-CD2 4.35Å; K18-F22 HydrophobicContact CB-CE2 4.37Å; K18-F22 WeakPolarHBondContact O-CD2 3.5Å; K18-F22 PolarHBondContact O-N 3.47Å
19L93.6Very high91.8Very high51 Ų5191.2 Ų91.227%0.26746%0.464SS..Hα-helixtrans-61.9-47.1179-16775.8000111.5E15 Q16 S23 M33 E37E15-L19 PolarHBondContact O-N 3.37Å; Q16-L19 PolarHBondContact O-N 3.03Å; L19-S23 WeakPolarHBondContact O-CB 3.34Å; L19-S23 PolarHBondContact O-N 2.97Å; L19-S23 PolarHBondContact O-OG 2.79Å; L19-M33 HydrophobicContact CD1-CB 3.86Å; L19-M33 HydrophobicContact CD1-CG 4.38Å; L19-M33 HydrophobicContact CD1-SD 4.25Å; L19-E37 WeakPolarHBondContact CD2-OE1 3.36Å
20E96.1Very high93.1Very high135 Ų13595.1 Ų95.163%0.63147%0.465SS*.Hα-helixtrans-57.4-50.7174.1-177.8178.6-159.400111.3Q16 S23 S24Q16-E20 WeakPolarHBondContact O-CB 3.45Å; Q16-E20 PolarHBondContact O-N 3.17Å; E20-S23 PolarHBondContact O-N 2.87Å; E20-S23 PolarHBondContact O-OG 3.41Å; E20-S23 VanDerWaalsContact O-OG 3.11Å; E20-S24 WeakPolarHBondContact O-CB 3.31Å; E20-S24 PolarHBondContact O-N 2.71Å; E20-S24 VanDerWaalsContact O-N 3.09Å
21Y96.4Very high93.9Very high149 Ų14997.4 Ų97.458%0.58447%0.471SS*.Hα-helixtrans-58.5-56.1178.9176.4-104.2000111.9K17 K18 S23 S24 I25K17-Y21 VanDerWaalsContact O-CB 3.26Å; K17-Y21 WeakPolarHBondContact O-CB 3.39Å; K17-Y21 PolarHBondContact O-N 2.84Å; K18-Y21 PolarHBondContact O-N 3.23Å; Y21-S23 VanDerWaalsContact C-N 3.35Å; Y21-S23 PolarHBondContact O-N 2.91Å; Y21-S24 WeakPolarHBondContact O-CB 3.44Å; Y21-S24 PolarHBondContact O-N 2.72Å; Y21-S24 VanDerWaalsContact O-N 3.14Å; Y21-S24 PolarHBondContact O-OG 3.11Å; Y21-I25 HydrophobicContact CE1-CD1 4.14Å
22F96.6Very high94.5Very high96 Ų9696.8 Ų96.842%0.42146%0.464SS..Hα-helixtrans-66.9-33.4-177.1-71.2-62.6000113K18 S24 I25 A29 M33K18-F22 HydrophobicContact CB-CD2 4.35Å; K18-F22 HydrophobicContact CB-CE2 4.37Å; K18-F22 WeakPolarHBondContact O-CD2 3.5Å; K18-F22 PolarHBondContact O-N 3.47Å; F22-S24 VanDerWaalsContact C-N 3.26Å; F22-S24 PolarHBondContact O-N 2.83Å; F22-I25 HydrophobicContact CD1-CD1 3.79Å; F22-I25 HydrophobicContact CE1-CD1 4.48Å; F22-I25 PolarHBondContact O-N 3.47Å; F22-A29 VanDerWaalsContact O-CB 3.27Å; F22-A29 WeakPolarHBondContact O-CB 3.3Å; F22-M33 HydrophobicContact CB-CG 3.68Å; F22-M33 HydrophobicContact CB-SD 3.62Å; F22-M33 HydrophobicContact CD2-SD 4.38Å; F22-M33 HydrophobicContact CG-SD 4.3Å
23S95.8Very high95Very high31 Ų3193.6 Ų93.622%0.21745%0.45CS..Hα-helixtrans-74.6-12.7175.667.90000114.4L19 E20 Y21 R30L19-S23 WeakPolarHBondContact O-CB 3.34Å; L19-S23 PolarHBondContact O-N 2.97Å; L19-S23 PolarHBondContact O-OG 2.79Å; E20-S23 PolarHBondContact O-N 2.87Å; E20-S23 PolarHBondContact O-OG 3.41Å; E20-S23 VanDerWaalsContact O-OG 3.11Å; Y21-S23 VanDerWaalsContact C-N 3.35Å; Y21-S23 PolarHBondContact O-N 2.91Å; S23-R30 WeakPolarHBondContact O-CB 3.38Å; S23-R30 PolarHBondContact O-NE 3.17Å
24S97.1Very high95.2Very high77 Ų7793.5 Ų93.554%0.53846%0.455SS..Hα-helixtrans-81.5-28.9174790000113.7E20 Y21 F22 N26E20-S24 WeakPolarHBondContact O-CB 3.31Å; E20-S24 PolarHBondContact O-N 2.71Å; E20-S24 VanDerWaalsContact O-N 3.09Å; Y21-S24 WeakPolarHBondContact O-CB 3.44Å; Y21-S24 PolarHBondContact O-N 2.72Å; Y21-S24 VanDerWaalsContact O-N 3.14Å; Y21-S24 PolarHBondContact O-OG 3.11Å; F22-S24 VanDerWaalsContact C-N 3.26Å; F22-S24 PolarHBondContact O-N 2.83Å; S24-N26 PolarHBondContact O-N 3.35Å
25I96.3Very high95.5Very high93 Ų9392.4 Ų92.448%0.47745%0.449SS..Hα-helixtrans-59.8-49.8-167.7-61.1174.7000112.5Y21 F22 A29Y21-I25 HydrophobicContact CE1-CD1 4.14Å; F22-I25 HydrophobicContact CD1-CD1 3.79Å; F22-I25 HydrophobicContact CE1-CD1 4.48Å; F22-I25 PolarHBondContact O-N 3.47Å; I25-A29 HydrophobicContact CB-CB 4.3Å
26N97.5Very high95.8Very high77 Ų7793 Ų9341%0.41245%0.448SS..  trans-162.1172.8173.365.667.6000111.1S24 M28 A29 R30S24-N26 PolarHBondContact O-N 3.35Å; N26-M28 VanDerWaalsContact C-N 3.34Å; N26-M28 PolarHBondContact O-N 3Å; N26-M28 WeakPolarHBondContact OD1-CA 3.48Å; N26-M28 WeakPolarHBondContact OD1-CB 3.45Å; N26-M28 PolarHBondContact OD1-N 3.24Å; N26-A29 PolarHBondContact O-N 3.22Å; N26-A29 PolarHBondContact OD1-N 3.27Å; N26-R30 PolarHBondContact O-N 2.76Å
27S97.3Very high95.9Very high100 Ų10091.3 Ų91.370%0.69944%0.441SS*.Hα-helixtrans-63.6-32.4-178.351.40000114.3K31S27-K31 PolarHBondContact O-N 3.31Å; S27-K31 VanDerWaalsContact O-N 3.12Å
28M97Very high95.9Very high118 Ų11889 Ų8958%0.58143%0.433SS*.Hα-helixtrans-73.4-42.7175.5-168.765.374.700111N26 R30 K31 I32N26-M28 VanDerWaalsContact C-N 3.34Å; N26-M28 PolarHBondContact O-N 3Å; N26-M28 WeakPolarHBondContact OD1-CA 3.48Å; N26-M28 WeakPolarHBondContact OD1-CB 3.45Å; N26-M28 PolarHBondContact OD1-N 3.24Å; M28-R30 VanDerWaalsContact C-N 3.3Å; M28-R30 PolarHBondContact O-N 3.32Å; M28-K31 WeakPolarHBondContact O-CB 3.23Å; M28-K31 PolarHBondContact O-N 3.06Å; M28-K31 VanDerWaalsContact O-N 3.09Å; M28-I32 HydrophobicContact CG-CD1 3.95Å; M28-I32 VanDerWaalsContact O-CG1 3.32Å; M28-I32 WeakPolarHBondContact O-CG1 3.14Å; M28-I32 PolarHBondContact O-N 2.94Å
29A96.8Very high96Very high18 Ų1883.8 Ų83.815%0.14941%0.41CS..Hα-helixtrans-60.6-40.4174.800000111.4F22 I25 N26 I32 M33F22-A29 VanDerWaalsContact O-CB 3.27Å; F22-A29 WeakPolarHBondContact O-CB 3.3Å; I25-A29 HydrophobicContact CB-CB 4.3Å; N26-A29 PolarHBondContact O-N 3.22Å; N26-A29 PolarHBondContact OD1-N 3.27Å; A29-I32 PolarHBondContact O-N 2.89Å; A29-M33 WeakPolarHBondContact O-CB 3.3Å; A29-M33 VanDerWaalsContact O-CG 3.3Å; A29-M33 WeakPolarHBondContact O-CG 3.47Å; A29-M33 PolarHBondContact O-N 3.05Å
30R96.6Very high96Very high145 Ų14583.9 Ų83.955%0.54741%0.409SS..Hα-helixtrans-57-47.7169.7-171.1177.4-56.4166.95.3112.5S23 N26 M28 M33 Q34S23-R30 WeakPolarHBondContact O-CB 3.38Å; S23-R30 PolarHBondContact O-NE 3.17Å; N26-R30 PolarHBondContact O-N 2.76Å; M28-R30 VanDerWaalsContact C-N 3.3Å; M28-R30 PolarHBondContact O-N 3.32Å; R30-M33 PolarHBondContact O-N 3.18Å; R30-Q34 WeakPolarHBondContact O-CB 3.34Å; R30-Q34 PolarHBondContact O-N 3.21Å
31K96.7Very high96Very high124 Ų12484.2 Ų84.254%0.53941%0.41SS..Hα-helixtrans-62.1-44.9177.9-170.9-174.8175.8-170.10111.7S27 M28 M33 Q34 E35S27-K31 PolarHBondContact O-N 3.31Å; S27-K31 VanDerWaalsContact O-N 3.12Å; M28-K31 WeakPolarHBondContact O-CB 3.23Å; M28-K31 PolarHBondContact O-N 3.06Å; M28-K31 VanDerWaalsContact O-N 3.09Å; K31-M33 PolarHBondContact O-N 3.27Å; K31-Q34 PolarHBondContact O-N 2.8Å; K31-E35 WeakPolarHBondContact O-CB 3.29Å; K31-E35 PolarHBondContact O-N 3.4Å
32I95.8Very high95.9Very high75 Ų7585.9 Ų85.939%0.38542%0.415SS..Hα-helixtrans-63.1-42.2178.9-66.5162.9000111M28 A29 E35 R36 M63M28-I32 HydrophobicContact CG-CD1 3.95Å; M28-I32 VanDerWaalsContact O-CG1 3.32Å; M28-I32 WeakPolarHBondContact O-CG1 3.14Å; M28-I32 PolarHBondContact O-N 2.94Å; A29-I32 PolarHBondContact O-N 2.89Å; I32-E35 PolarHBondContact O-N 2.87Å; I32-R36 WeakPolarHBondContact O-CB 3.49Å; I32-R36 PolarHBondContact O-N 2.94Å; I32-M63 HydrophobicContact CG1-CE 4.31Å; I32-M63 HydrophobicContact CG2-CE 4.03Å
33M95.6Very high95.7Very high35 Ų3584.7 Ų84.717%0.17241%0.411CS..Hα-helixtrans-64.6-41.6175.1-72-59.197.700112.4L19 F22 A29 R30 K31 R36 E37L19-M33 HydrophobicContact CD1-CB 3.86Å; L19-M33 HydrophobicContact CD1-CG 4.38Å; L19-M33 HydrophobicContact CD1-SD 4.25Å; F22-M33 HydrophobicContact CB-CG 3.68Å; F22-M33 HydrophobicContact CB-SD 3.62Å; F22-M33 HydrophobicContact CD2-SD 4.38Å; F22-M33 HydrophobicContact CG-SD 4.3Å; A29-M33 WeakPolarHBondContact O-CB 3.3Å; A29-M33 VanDerWaalsContact O-CG 3.3Å; A29-M33 WeakPolarHBondContact O-CG 3.47Å; A29-M33 PolarHBondContact O-N 3.05Å; R30-M33 PolarHBondContact O-N 3.18Å; K31-M33 PolarHBondContact O-N 3.27Å; M33-R36 PolarHBondContact O-N 3.3Å; M33-E37 WeakPolarHBondContact O-CB 3.4Å; M33-E37 PolarHBondContact O-N 2.8Å
34Q95.1Very high95.5Very high131 Ų13185 Ų8561%0.61242%0.419SS*.Hα-helixtrans-66.1-40.6176.8-174.2176.612.600112.4R30 K31 E37 N38R30-Q34 WeakPolarHBondContact O-CB 3.34Å; R30-Q34 PolarHBondContact O-N 3.21Å; K31-Q34 PolarHBondContact O-N 2.8Å; Q34-E37 PolarHBondContact O-N 3.18Å; Q34-N38 PolarHBondContact O-N 3.02Å
35E96.2Very high95.2Very high65 Ų6585.8 Ų85.830%0.30442%0.424SS..Hα-helixtrans-66.4-42.6176.3-159.371.1-121.300110.7K31 I32 E37 N38 I39 M63K31-E35 WeakPolarHBondContact O-CB 3.29Å; K31-E35 PolarHBondContact O-N 3.4Å; I32-E35 PolarHBondContact O-N 2.87Å; E35-E37 VanDerWaalsContact C-N 3.31Å; E35-E37 PolarHBondContact O-N 3.09Å; E35-N38 PolarHBondContact O-N 3.22Å; E35-I39 HydrophobicContact CG-CD1 4.4Å; E35-I39 VanDerWaalsContact O-CG1 3.29Å; E35-I39 WeakPolarHBondContact O-CG1 3.46Å; E35-I39 PolarHBondContact O-N 3.2Å; E35-M63 HydrophobicContact CB-SD 3.74Å; E35-M63 HydrophobicContact CG-SD 3.64Å
36R95.4Very high95.1Very high80 Ų8085.7 Ų85.730%0.30243%0.425SS..Hα-helixtrans-58.8-40.7173-170.5-175.4-174.1-79.1-5.5112.2I32 M33 K40 I59I32-R36 WeakPolarHBondContact O-CB 3.49Å; I32-R36 PolarHBondContact O-N 2.94Å; M33-R36 PolarHBondContact O-N 3.3Å; R36-K40 PolarHBondContact O-N 3.38Å; R36-I59 HydrophobicContact CG-CD1 3.81Å; R36-I59 HydrophobicContact CG-CG1 4.05Å; R36-I59 VanDerWaalsContact NE-CD1 3.28Å
37E94.3Very high94.9Very high105 Ų10582.4 Ų82.449%0.49141%0.407SS..Hα-helixtrans-67.3-40.8175.6-174.9165.7-121.800111.7L19 M33 Q34 E35 I39 K40 E41L19-E37 WeakPolarHBondContact CD2-OE1 3.36Å; M33-E37 WeakPolarHBondContact O-CB 3.4Å; M33-E37 PolarHBondContact O-N 2.8Å; Q34-E37 PolarHBondContact O-N 3.18Å; E35-E37 VanDerWaalsContact C-N 3.31Å; E35-E37 PolarHBondContact O-N 3.09Å; E37-I39 VanDerWaalsContact C-N 3.35Å; E37-I39 PolarHBondContact O-N 2.87Å; E37-K40 WeakPolarHBondContact O-CB 3.38Å; E37-K40 PolarHBondContact O-N 3.33Å; E37-E41 WeakPolarHBondContact O-CB 3.49Å; E37-E41 PolarHBondContact O-N 2.99Å
38N95.3Very high94.6Very high48 Ų4884.8 Ų84.826%0.25741%0.407SS..Hα-helixtrans-68.4-31.7176.2-170.2-113.1000113Q34 E35 E41 R42Q34-N38 PolarHBondContact O-N 3.02Å; E35-N38 PolarHBondContact O-N 3.22Å; N38-E41 PolarHBondContact ND2-OE2 3.49Å; N38-E41 PolarHBondContact O-N 3.04Å; N38-R42 VanDerWaalsContact O-CG 3.23Å; N38-R42 WeakPolarHBondContact O-CG 3.49Å; N38-R42 PolarHBondContact O-N 2.87Å; N38-R42 VanDerWaalsContact OD1-CZ 3.24Å; N38-R42 PolarHBondContact OD1-NE 3.5Å; N38-R42 PolarHBondContact OD1-NH2 2.88Å
39I95.2Very high94.5Very high6 Ų686.2 Ų86.23%0.03141%0.41CS..Hα-helixtrans-66.1-46.3169.9-65.1161000110.1E35 E37 E41 R42 H43 W47 I59 M63E35-I39 HydrophobicContact CG-CD1 4.4Å; E35-I39 VanDerWaalsContact O-CG1 3.29Å; E35-I39 WeakPolarHBondContact O-CG1 3.46Å; E35-I39 PolarHBondContact O-N 3.2Å; E37-I39 VanDerWaalsContact C-N 3.35Å; E37-I39 PolarHBondContact O-N 2.87Å; I39-E41 VanDerWaalsContact C-N 3.3Å; I39-E41 PolarHBondContact O-N 3.2Å; I39-R42 PolarHBondContact O-N 3.36Å; I39-H43 PolarHBondContact O-CD2 3.35Å; I39-H43 PolarHBondContact O-N 3.29Å; I39-W47 HydrophobicContact CG2-CZ3 4.38Å; I39-I59 HydrophobicContact CG2-CG1 4.45Å; I39-M63 HydrophobicContact CD1-CG 3.85Å; I39-M63 HydrophobicContact CD1-SD 4.1Å
40K94.1Very high94.3Very high54 Ų5486.5 Ų86.524%0.23541%0.408CS..Hα-helixtrans-56.7-43173.7-179.2170.7-177.5-179.70111.6E15 R36 E37 H43 G44 W47E15-K40 IonicContact OE1-NZ 2.64Å; E15-K40 PolarHBondContact OE1-NZ 2.97Å; E15-K40 IonicContact OE2-NZ 3.14Å; E15-K40 PolarHBondContact OE2-NZ 3.45Å; R36-K40 PolarHBondContact O-N 3.38Å; E37-K40 WeakPolarHBondContact O-CB 3.38Å; E37-K40 PolarHBondContact O-N 3.33Å; K40-H43 PolarHBondContact O-N 2.94Å; K40-G44 PolarHBondContact O-N 2.88Å; K40-W47 HydrophobicContact CB-CD2 4.12Å; K40-W47 HydrophobicContact CB-CE3 4.29Å; K40-W47 HydrophobicContact CD-CG 4.5Å; K40-W47 HydrophobicContact CG-CD2 3.8Å; K40-W47 HydrophobicContact CG-CE3 4.44Å; K40-W47 HydrophobicContact CG-CG 3.8Å
41E94.3Very high94.3Very high141 Ų14183.3 Ų83.366%0.65941%0.405SS*.Hα-helixtrans-61.8-43.9176.5-174.6-178.5-151.600112.7E37 N38 I39 H43 G44E37-E41 WeakPolarHBondContact O-CB 3.49Å; E37-E41 PolarHBondContact O-N 2.99Å; N38-E41 PolarHBondContact ND2-OE2 3.49Å; N38-E41 PolarHBondContact O-N 3.04Å; I39-E41 VanDerWaalsContact C-N 3.3Å; I39-E41 PolarHBondContact O-N 3.2Å; E41-H43 VanDerWaalsContact C-N 3.3Å; E41-H43 PolarHBondContact O-N 3.12Å; E41-G44 PolarHBondContact O-N 3.3Å; E41-G44 VanDerWaalsContact O-N 3.09Å
42R94.5Very high94.1Very high185 Ų18581.8 Ų81.870%0.69841%0.408SS*.Hα-helixtrans-61.6-34.4178-72.6164.8-165.6-111.66.6113.4N38 I39N38-R42 VanDerWaalsContact O-CG 3.23Å; N38-R42 WeakPolarHBondContact O-CG 3.49Å; N38-R42 PolarHBondContact O-N 2.87Å; N38-R42 VanDerWaalsContact OD1-CZ 3.24Å; N38-R42 PolarHBondContact OD1-NE 3.5Å; N38-R42 PolarHBondContact OD1-NH2 2.88Å; I39-R42 PolarHBondContact O-N 3.36Å
43H92.9Very high94.1Very high70 Ų7084.2 Ų84.232%0.32442%0.422SS..Hα-helixtrans-83.1-22174.6-77.1-92.2000113I39 K40 E41 S45 D46 W47 M50I39-H43 PolarHBondContact O-CD2 3.35Å; I39-H43 PolarHBondContact O-N 3.29Å; K40-H43 PolarHBondContact O-N 2.94Å; E41-H43 VanDerWaalsContact C-N 3.3Å; E41-H43 PolarHBondContact O-N 3.12Å; H43-S45 PolarHBondContact O-N 3.09Å; H43-D46 PolarHBondContact O-N 3.29Å; H43-W47 HydrophobicContact CB-CB 4.05Å; H43-W47 HydrophobicContact CB-CE3 3.93Å; H43-W47 PolarHBondContact O-N 2.86Å; H43-M50 HydrophobicContact CB-CE 4.03Å; H43-M50 WeakPolarHBondContact ND1-CE 3.3Å
44G92.3Very high94.1Very high37 Ų3787 Ų8738%0.38143%0.434SS..Hα-helixtrans49.6-124.5170.900000113.5K40 E41 D46 W47K40-G44 PolarHBondContact O-N 2.88Å; E41-G44 PolarHBondContact O-N 3.3Å; E41-G44 VanDerWaalsContact O-N 3.09Å; G44-D46 PolarHBondContact O-N 2.84Å; G44-W47 VanDerWaalsContact O-CB 3.24Å; G44-W47 WeakPolarHBondContact O-CB 3.22Å; G44-W47 PolarHBondContact O-N 3Å; G44-W47 VanDerWaalsContact O-N 3.14Å
45S91.3Very high94.1Very high94 Ų9482.8 Ų82.866%0.65741%0.414SS*.Hα-helixtrans-69-10.6-179.1-51.70000115.2H43 K49H43-S45 PolarHBondContact O-N 3.09Å; S45-K49 WeakPolarHBondContact O-CE 3.3Å
46D92.9Very high94.1Very high91 Ų9183.9 Ų83.949%0.48742%0.423SS..Hα-helixtrans-87.8-20.2173-67.2-35.4000111.9H43 G44 E48 K49 M50H43-D46 PolarHBondContact O-N 3.29Å; G44-D46 PolarHBondContact O-N 2.84Å; D46-E48 VanDerWaalsContact C-N 3.29Å; D46-E48 PolarHBondContact O-N 3.21Å; D46-K49 WeakPolarHBondContact O-CB 3.36Å; D46-K49 PolarHBondContact O-N 3.34Å; D46-K49 WeakPolarHBondContact OD1-CE 3.48Å; D46-K49 IonicContact OD1-NZ 3.2Å; D46-K49 PolarHBondContact OD1-NZ 2.7Å; D46-M50 WeakPolarHBondContact O-CG 3.38Å; D46-M50 PolarHBondContact O-N 2.94Å; D46-M50 VanDerWaalsContact O-N 3.11Å
47W93.4Very high94.1Very high8 Ų883.1 Ų83.13%0.0343%0.429CS..Hα-helixtrans-54.8-43.9174.6-175.7-85.9000112.7I39 K40 H43 G44 K49 M50 Q55 A58 I59I39-W47 HydrophobicContact CG2-CZ3 4.38Å; K40-W47 HydrophobicContact CB-CD2 4.12Å; K40-W47 HydrophobicContact CB-CE3 4.29Å; K40-W47 HydrophobicContact CD-CG 4.5Å; K40-W47 HydrophobicContact CG-CD2 3.8Å; K40-W47 HydrophobicContact CG-CE3 4.44Å; K40-W47 HydrophobicContact CG-CG 3.8Å; H43-W47 HydrophobicContact CB-CB 4.05Å; H43-W47 HydrophobicContact CB-CE3 3.93Å; H43-W47 PolarHBondContact O-N 2.86Å; G44-W47 VanDerWaalsContact O-CB 3.24Å; G44-W47 WeakPolarHBondContact O-CB 3.22Å; G44-W47 PolarHBondContact O-N 3Å; G44-W47 VanDerWaalsContact O-N 3.14Å; W47-K49 PolarHBondContact O-N 2.95Å; W47-M50 HydrophobicContact CD2-CE 4.12Å; W47-M50 HydrophobicContact CE3-CE 3.41Å; W47-M50 VanDerWaalsContact CE3-CE 3.41Å; W47-M50 HydrophobicContact CZ3-CE 3.82Å; W47-M50 PolarHBondContact O-N 2.98Å; W47-Q55 HydrophobicContact CD2-CG 4.09Å; W47-Q55 VanDerWaalsContact CE2-CD 3.5Å; W47-Q55 HydrophobicContact CE3-CG 4.43Å; W47-Q55 HydrophobicContact CH2-CB 3.59Å; W47-Q55 HydrophobicContact CH2-CG 3.95Å; W47-Q55 WeakPolarHBondContact CH2-O 3.42Å; W47-Q55 HydrophobicContact CZ2-CB 3.52Å; W47-Q55 HydrophobicContact CZ2-CG 3.6Å; W47-Q55 HydrophobicContact CZ3-CB 4.28Å; W47-Q55 HydrophobicContact CZ3-CG 4.37Å; W47-Q55 VanDerWaalsContact NE1-CD 3.33Å; W47-Q55 PolarHBondContact O-NE2 3.4Å; W47-A58 HydrophobicContact CZ3-CB 4.21Å; W47-I59 HydrophobicContact CH2-CD1 3.68Å; W47-I59 HydrophobicContact CH2-CG1 3.78Å; W47-I59 HydrophobicContact CZ2-CD1 4.28Å; W47-I59 HydrophobicContact CZ3-CG1 4.42Å
48E91.6Very high94.1Very high150 Ų15078.8 Ų78.870%0.70141%0.411SS*.THydrogen-bonded Turntrans-71.3-10.4180-60.4-175.416600113.7D46D46-E48 VanDerWaalsContact C-N 3.29Å; D46-E48 PolarHBondContact O-N 3.21Å
49K93.8Very high94.1Very high149 Ų14977.3 Ų77.365%0.64840%0.403SS*.THydrogen-bonded Turntrans-97.8-28.6176.7-53.6172.5-166.91580112.2S45 D46 W47S45-K49 WeakPolarHBondContact O-CE 3.3Å; D46-K49 WeakPolarHBondContact O-CB 3.36Å; D46-K49 PolarHBondContact O-N 3.34Å; D46-K49 WeakPolarHBondContact OD1-CE 3.48Å; D46-K49 IonicContact OD1-NZ 3.2Å; D46-K49 PolarHBondContact OD1-NZ 2.7Å; W47-K49 PolarHBondContact O-N 2.95Å
50M94.2Very high94Very high24 Ų2482.4 Ų82.412%0.11843%0.431CS..SBendtrans-64.7142177.7-69.3-166-61.800111.1H43 D46 W47 E54 Q55 A58H43-M50 HydrophobicContact CB-CE 4.03Å; H43-M50 WeakPolarHBondContact ND1-CE 3.3Å; D46-M50 WeakPolarHBondContact O-CG 3.38Å; D46-M50 PolarHBondContact O-N 2.94Å; D46-M50 VanDerWaalsContact O-N 3.11Å; W47-M50 HydrophobicContact CD2-CE 4.12Å; W47-M50 HydrophobicContact CE3-CE 3.41Å; W47-M50 VanDerWaalsContact CE3-CE 3.41Å; W47-M50 HydrophobicContact CZ3-CE 3.82Å; W47-M50 PolarHBondContact O-N 2.98Å; M50-E54 VanDerWaalsContact CA-OE2 3.3Å; M50-E54 WeakPolarHBondContact CA-OE2 3.35Å; M50-E54 HydrophobicContact CB-CB 4.23Å; M50-E54 HydrophobicContact CB-CG 3.92Å; M50-E54 HydrophobicContact CG-CG 3.95Å; M50-E54 HydrophobicContact SD-CG 3.89Å; M50-Q55 HydrophobicContact CB-CG 3.9Å; M50-Q55 HydrophobicContact CE-CG 4.34Å; M50-Q55 PolarHBondContact O-NE2 3.3Å; M50-A58 HydrophobicContact CE-CB 4.03Å; M50-A58 HydrophobicContact SD-CB 4.45Å
51T95.9Very high93.9Very high78 Ų7884.7 Ų84.748%0.47945%0.446SS..  trans-68.3159.8174.663.70000111.4N53 E54 Q55T51-N53 VanDerWaalsContact C-N 3.33Å; T51-N53 PolarHBondContact O-N 3.15Å; T51-E54 PolarHBondContact N-OE2 3.2Å; T51-E54 CarbonylContact O-C 3.58Å; T51-E54 WeakPolarHBondContact O-CA 3.4Å; T51-E54 WeakPolarHBondContact O-CB 3.47Å; T51-E54 PolarHBondContact O-N 2.9Å; T51-E54 WeakPolarHBondContact OG1-CB 3.47Å; T51-E54 PolarHBondContact OG1-OE2 3.1Å; T51-Q55 PolarHBondContact O-N 3.31Å
52P93.1Very high93.9Very high91 Ų9179.9 Ų79.959%0.59143%0.434SS*.Hα-helixtrans-55.5-43.8180-28.536.6000113.9E54 Q55 D56P52-E54 PolarHBondContact O-N 3.03Å; P52-Q55 WeakPolarHBondContact O-CB 3.49Å; P52-Q55 PolarHBondContact O-N 3.37Å; P52-D56 PolarHBondContact O-N 2.88Å
53N95.8Very high93.8Very high127 Ų12774.7 Ų74.768%0.67942%0.418SS*.Hα-helixtrans-64.2-30.3177.3-61.515.1000112.5T51 S57T51-N53 VanDerWaalsContact C-N 3.33Å; T51-N53 PolarHBondContact O-N 3.15Å; N53-S57 VanDerWaalsContact O-CB 3.3Å; N53-S57 WeakPolarHBondContact O-CB 3.3Å; N53-S57 PolarHBondContact O-N 3.12Å; N53-S57 PolarHBondContact O-OG 3.23Å
54E95.6Very high93.7Very high93 Ų9376.6 Ų76.644%0.43543%0.429SS..Hα-helixtrans-80.3-36.6179.1-176.6-176.7-166.900111.3M50 T51 P52 S57 A58M50-E54 VanDerWaalsContact CA-OE2 3.3Å; M50-E54 WeakPolarHBondContact CA-OE2 3.35Å; M50-E54 HydrophobicContact CB-CB 4.23Å; M50-E54 HydrophobicContact CB-CG 3.92Å; M50-E54 HydrophobicContact CG-CG 3.95Å; M50-E54 HydrophobicContact SD-CG 3.89Å; T51-E54 PolarHBondContact N-OE2 3.2Å; T51-E54 CarbonylContact O-C 3.58Å; T51-E54 WeakPolarHBondContact O-CA 3.4Å; T51-E54 WeakPolarHBondContact O-CB 3.47Å; T51-E54 PolarHBondContact O-N 2.9Å; T51-E54 WeakPolarHBondContact OG1-CB 3.47Å; T51-E54 PolarHBondContact OG1-OE2 3.1Å; P52-E54 PolarHBondContact O-N 3.03Å; E54-S57 PolarHBondContact O-N 3.39Å; E54-A58 VanDerWaalsContact O-CB 3.3Å; E54-A58 WeakPolarHBondContact O-CB 3.15Å; E54-A58 PolarHBondContact O-N 3.38Å
55Q95.1Very high93.7Very high42 Ų4278.8 Ų78.820%0.19643%0.432CS..Hα-helixtrans-60.2-46.9167.6-74-177.421.400111.6W47 M50 T51 P52 A58 I59W47-Q55 HydrophobicContact CD2-CG 4.09Å; W47-Q55 VanDerWaalsContact CE2-CD 3.5Å; W47-Q55 HydrophobicContact CE3-CG 4.43Å; W47-Q55 HydrophobicContact CH2-CB 3.59Å; W47-Q55 HydrophobicContact CH2-CG 3.95Å; W47-Q55 WeakPolarHBondContact CH2-O 3.42Å; W47-Q55 HydrophobicContact CZ2-CB 3.52Å; W47-Q55 HydrophobicContact CZ2-CG 3.6Å; W47-Q55 HydrophobicContact CZ3-CB 4.28Å; W47-Q55 HydrophobicContact CZ3-CG 4.37Å; W47-Q55 VanDerWaalsContact NE1-CD 3.33Å; W47-Q55 PolarHBondContact O-NE2 3.4Å; M50-Q55 HydrophobicContact CB-CG 3.9Å; M50-Q55 HydrophobicContact CE-CG 4.34Å; M50-Q55 PolarHBondContact O-NE2 3.3Å; T51-Q55 PolarHBondContact O-N 3.31Å; P52-Q55 WeakPolarHBondContact O-CB 3.49Å; P52-Q55 PolarHBondContact O-N 3.37Å; Q55-A58 PolarHBondContact O-N 2.92Å; Q55-I59 WeakPolarHBondContact O-CG1 3.32Å; Q55-I59 PolarHBondContact O-N 3.13Å
56D94.9Very high93.7Very high89 Ų8979.1 Ų79.148%0.47643%0.432SS..Hα-helixtrans-66.3-40.3176.2-71.3-23.1000111.3P52 A58 I59 D60P52-D56 PolarHBondContact O-N 2.88Å; D56-A58 VanDerWaalsContact C-N 3.32Å; D56-A58 PolarHBondContact O-N 3.41Å; D56-I59 WeakPolarHBondContact O-CB 3.44Å; D56-I59 PolarHBondContact O-N 2.91Å; D56-D60 PolarHBondContact O-N 2.93Å
57S94.6Very high93.7Very high63 Ų6380.7 Ų80.744%0.44144%0.436SS..Hα-helixtrans-62-36.8172.3-62.20000112.7N53 E54 N61N53-S57 VanDerWaalsContact O-CB 3.3Å; N53-S57 WeakPolarHBondContact O-CB 3.3Å; N53-S57 PolarHBondContact O-N 3.12Å; N53-S57 PolarHBondContact O-OG 3.23Å; E54-S57 PolarHBondContact O-N 3.39Å; S57-N61 WeakPolarHBondContact O-CB 3.44Å; S57-N61 PolarHBondContact O-N 2.92Å; S57-N61 PolarHBondContact O-ND2 2.85Å
58A94.9Very high93.6Very high14 Ų1483.4 Ų83.412%0.11645%0.45CS..Hα-helixtrans-67.9-36.6175.300000111.6W47 M50 E54 Q55 D56 G62W47-A58 HydrophobicContact CZ3-CB 4.21Å; M50-A58 HydrophobicContact CE-CB 4.03Å; M50-A58 HydrophobicContact SD-CB 4.45Å; E54-A58 VanDerWaalsContact O-CB 3.3Å; E54-A58 WeakPolarHBondContact O-CB 3.15Å; E54-A58 PolarHBondContact O-N 3.38Å; Q55-A58 PolarHBondContact O-N 2.92Å; D56-A58 VanDerWaalsContact C-N 3.32Å; D56-A58 PolarHBondContact O-N 3.41Å; A58-G62 PolarHBondContact O-N 3.32Å
59I95.2Very high93.6Very high18 Ų1878.6 Ų78.69%0.09243%0.433CS..Hα-helixtrans-63.9-52.6172-68.8157.8000110.5R36 I39 W47 Q55 D56 N61 G62 M63R36-I59 HydrophobicContact CG-CD1 3.81Å; R36-I59 HydrophobicContact CG-CG1 4.05Å; R36-I59 VanDerWaalsContact NE-CD1 3.28Å; I39-I59 HydrophobicContact CG2-CG1 4.45Å; W47-I59 HydrophobicContact CH2-CD1 3.68Å; W47-I59 HydrophobicContact CH2-CG1 3.78Å; W47-I59 HydrophobicContact CZ2-CD1 4.28Å; W47-I59 HydrophobicContact CZ3-CG1 4.42Å; Q55-I59 WeakPolarHBondContact O-CG1 3.32Å; Q55-I59 PolarHBondContact O-N 3.13Å; D56-I59 WeakPolarHBondContact O-CB 3.44Å; D56-I59 PolarHBondContact O-N 2.91Å; I59-N61 VanDerWaalsContact C-N 3.3Å; I59-N61 PolarHBondContact O-N 3.31Å; I59-G62 PolarHBondContact O-N 3.42Å; I59-G62 VanDerWaalsContact O-N 3.09Å; I59-M63 HydrophobicContact CG2-CG 3.76Å; I59-M63 VanDerWaalsContact O-CB 3.3Å; I59-M63 WeakPolarHBondContact O-CB 3.34Å; I59-M63 WeakPolarHBondContact O-CG 3.4Å; I59-M63 PolarHBondContact O-N 2.73Å
60D93.3Very high93.4Very high113 Ų11374.5 Ų74.560%0.60443%0.427SS*.Hα-helixtrans-59.1-40.1-178.4-83-7.9000112.5D56 M64D56-D60 PolarHBondContact O-N 2.93Å; D60-M64 VanDerWaalsContact O-CG 3.23Å; D60-M64 WeakPolarHBondContact O-CG 3.27Å
61N92.9Very high93.2Very high102 Ų10279.6 Ų79.655%0.54545%0.445SS..Hα-helixtrans-74.3-30.3176.3-72.7-66.8000113.2S57 I59S57-N61 WeakPolarHBondContact O-CB 3.44Å; S57-N61 PolarHBondContact O-N 2.92Å; S57-N61 PolarHBondContact O-ND2 2.85Å; I59-N61 VanDerWaalsContact C-N 3.3Å; I59-N61 PolarHBondContact O-N 3.31Å
62G93Very high92.8Very high40 Ų4082.5 Ų82.541%0.41245%0.448SS..Hα-helixtrans-79.8-31.817700000114.1A58 I59 M64A58-G62 PolarHBondContact O-N 3.32Å; I59-G62 PolarHBondContact O-N 3.42Å; I59-G62 VanDerWaalsContact O-N 3.09Å; G62-M64 VanDerWaalsContact C-N 3.26Å; G62-M64 PolarHBondContact O-N 2.92Å
63M93.3Very high92.6Very high76 Ų7680.3 Ų80.337%0.37444%0.437SS..Hα-helixtrans-72.9-18.4176.4-71-72.3-65.300112.8I32 E35 I39 I59I32-M63 HydrophobicContact CG1-CE 4.31Å; I32-M63 HydrophobicContact CG2-CE 4.03Å; E35-M63 HydrophobicContact CB-SD 3.74Å; E35-M63 HydrophobicContact CG-SD 3.64Å; I39-M63 HydrophobicContact CD1-CG 3.85Å; I39-M63 HydrophobicContact CD1-SD 4.1Å; I59-M63 HydrophobicContact CG2-CG 3.76Å; I59-M63 VanDerWaalsContact O-CB 3.3Å; I59-M63 WeakPolarHBondContact O-CB 3.34Å; I59-M63 WeakPolarHBondContact O-CG 3.4Å; I59-M63 PolarHBondContact O-N 2.73Å
64M91.3Very high91.8Very high109 Ų10981.1 Ų81.154%0.53744%0.439SS..SBendtrans-99.1123.6179.8-70.7-71.3176.500111D60 G62D60-M64 VanDerWaalsContact O-CG 3.23Å; D60-M64 WeakPolarHBondContact O-CG 3.27Å; G62-M64 VanDerWaalsContact C-N 3.26Å; G62-M64 PolarHBondContact O-N 2.92Å
65D91.8Very high90.8Very high83 Ų8383.9 Ų83.944%0.44445%0.451SS..  trans-58133.5172.8171.3-82.6000110.9H67 I68 S69D65-H67 VanDerWaalsContact C-N 3.25Å; D65-H67 PolarHBondContact O-N 3.4Å; D65-H67 VanDerWaalsContact O-N 3.17Å; D65-H67 VanDerWaalsContact OD1-CA 3.31Å; D65-H67 WeakPolarHBondContact OD1-CA 3.43Å; D65-H67 VanDerWaalsContact OD1-CB 3.27Å; D65-H67 WeakPolarHBondContact OD1-CB 3.29Å; D65-H67 PolarHBondContact OD1-N 2.97Å; D65-I68 HydrophobicContact CB-CB 4.23Å; D65-I68 HydrophobicContact CB-CD1 3.89Å; D65-I68 HydrophobicContact CB-CG1 3.9Å; D65-I68 WeakPolarHBondContact O-CA 3.31Å; D65-I68 WeakPolarHBondContact O-CB 3.44Å; D65-I68 PolarHBondContact O-N 3.48Å; D65-I68 PolarHBondContact OD1-N 3.4Å; D65-S69 PolarHBondContact O-N 3.09Å
66P91.4Very high89.7Confident102 Ų10291.2 Ų91.266%0.66248%0.477SS*.Hα-helixtrans-58.4-30.6-176.5-28.736.1000114.9A70P66-A70 VanDerWaalsContact O-CB 3.27Å; P66-A70 WeakPolarHBondContact O-CB 3.43Å; P66-A70 PolarHBondContact O-N 3.14Å
67H92Very high88.1Confident123 Ų12392 Ų9257%0.56949%0.485SS*.Hα-helixtrans-79.7-26.1175.9179.876.3000112.4D65 R71D65-H67 VanDerWaalsContact C-N 3.25Å; D65-H67 PolarHBondContact O-N 3.4Å; D65-H67 VanDerWaalsContact O-N 3.17Å; D65-H67 VanDerWaalsContact OD1-CA 3.31Å; D65-H67 WeakPolarHBondContact OD1-CA 3.43Å; D65-H67 VanDerWaalsContact OD1-CB 3.27Å; D65-H67 WeakPolarHBondContact OD1-CB 3.29Å; D65-H67 PolarHBondContact OD1-N 2.97Å; H67-R71 PolarHBondContact NE2-NE 3.24Å; H67-R71 WeakPolarHBondContact O-CG 3.38Å; H67-R71 PolarHBondContact O-N 3.47Å; H67-R71 PolarHBondContact O-NE 3.07Å
68I91.8Very high86.7Confident66 Ų6696.3 Ų96.334%0.33850%0.503SS..Hα-helixtrans-66.8-52.1164.5-61.7179.7000109.5D65 A70 R71 Y72D65-I68 HydrophobicContact CB-CB 4.23Å; D65-I68 HydrophobicContact CB-CD1 3.89Å; D65-I68 HydrophobicContact CB-CG1 3.9Å; D65-I68 WeakPolarHBondContact O-CA 3.31Å; D65-I68 WeakPolarHBondContact O-CB 3.44Å; D65-I68 PolarHBondContact O-N 3.48Å; D65-I68 PolarHBondContact OD1-N 3.4Å; I68-A70 PolarHBondContact O-N 3.11Å; I68-R71 PolarHBondContact O-N 3.39Å; I68-R71 VanDerWaalsContact O-N 3.16Å; I68-Y72 HydrophobicContact CG2-CD2 3.9Å; I68-Y72 HydrophobicContact CG2-CE2 4.05Å; I68-Y72 WeakPolarHBondContact O-CD2 3.26Å; I68-Y72 PolarHBondContact O-N 2.85Å
69S91Very high85.1Confident48 Ų48106.9 Ų106.934%0.33654%0.54SS..Hα-helixtrans-55.5-48.7-179.9-173.20000112D65 R71 Y72 A73D65-S69 PolarHBondContact O-N 3.09Å; S69-R71 PolarHBondContact O-N 3.43Å; S69-Y72 PolarHBondContact O-N 3.09Å; S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.46Å
70A90.2Very high83.7Confident63 Ų63114.1 Ų114.152%0.52157%0.574SS.*Hα-helixtrans-60.6-38.117800000113.7P66 I68P66-A70 VanDerWaalsContact O-CB 3.27Å; P66-A70 WeakPolarHBondContact O-CB 3.43Å; P66-A70 PolarHBondContact O-N 3.14Å; I68-A70 PolarHBondContact O-N 3.11Å
71R90.6Very high82.3Confident132 Ų132117.1 Ų117.150%0.49858%0.584SS.*Hα-helixtrans-67.1-36177-78-174.6-65150.6-4.4112.7H67 I68 S69H67-R71 PolarHBondContact NE2-NE 3.24Å; H67-R71 WeakPolarHBondContact O-CG 3.38Å; H67-R71 PolarHBondContact O-N 3.47Å; H67-R71 PolarHBondContact O-NE 3.07Å; I68-R71 PolarHBondContact O-N 3.39Å; I68-R71 VanDerWaalsContact O-N 3.16Å; S69-R71 PolarHBondContact O-N 3.43Å
72Y87.4Confident80.9Confident139 Ų139117.1 Ų117.155%0.54559%0.587SS.*Hα-helixtrans-91.4-10.9179.5-69-72.8000114.2I68 S69 M74 H75 R76I68-Y72 HydrophobicContact CG2-CD2 3.9Å; I68-Y72 HydrophobicContact CG2-CE2 4.05Å; I68-Y72 WeakPolarHBondContact O-CD2 3.26Å; I68-Y72 PolarHBondContact O-N 2.85Å; S69-Y72 PolarHBondContact O-N 3.09Å; Y72-M74 VanDerWaalsContact C-N 3.29Å; Y72-M74 PolarHBondContact O-N 3.39Å; Y72-H75 CarbonylContact O-C 3.4Å; Y72-H75 WeakPolarHBondContact O-CA 3.11Å; Y72-H75 PolarHBondContact O-N 2.85Å; Y72-R76 PolarHBondContact O-N 3.41Å
73A87.5Confident79.5Confident44 Ų44123 Ų12336%0.36461%0.608SS.*Hα-helixtrans-56.8-39.8175.300000112.9S69 H75 R76S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.46Å; A73-H75 PolarHBondContact O-N 3.3Å; A73-R76 PolarHBondContact O-N 3.42Å
74M79.6Confident78Confident145 Ų145123 Ų12371%0.71461%0.614SS**THydrogen-bonded Turntrans-75.5-2.1174.8-61.4-74.883.400114.1Y72Y72-M74 VanDerWaalsContact C-N 3.29Å; Y72-M74 PolarHBondContact O-N 3.39Å
75H75.5Confident76.6Confident150 Ų150126.9 Ų126.969%0.69462%0.624SS**THydrogen-bonded Turntrans-112.92.2171.8-63.7-56.5000113Y72 A73Y72-H75 CarbonylContact O-C 3.4Å; Y72-H75 WeakPolarHBondContact O-CA 3.11Å; Y72-H75 PolarHBondContact O-N 2.85Å; A73-H75 PolarHBondContact O-N 3.3Å
76R71.3Confident75.5Confident197 Ų197128.3 Ų128.374%0.74364%0.638SS**  trans-83.57.3167.4-81.6-174.8150.7-174.9-5.8113.5Y72 A73 D78Y72-R76 PolarHBondContact O-N 3.41Å; A73-R76 PolarHBondContact O-N 3.42Å; R76-D78 PolarHBondContact O-N 3.11Å
77V62.3Low74.3Confident106 Ų106131.9 Ų131.964%0.64264%0.643SS**SBendtrans-59.3128.9169.6-170.30000107.8R79V77-R79 PolarHBondContact O-N 3.44Å; V77-R79 VanDerWaalsContact O-N 3.09Å
78D63.4Low72.9Confident153 Ų153133 Ų13382%0.81865%0.652SS**  trans-51121.7169.8-84.9-52.8000108.9R76 E80R76-D78 PolarHBondContact O-N 3.11Å; D78-E80 PolarHBondContact O-N 3.41Å
79R62.5Low71.6Confident235 Ų235137.2 Ų137.289%0.88768%0.675SS**  trans-7182.9164.3-73.9-73.4-161.8169.35.8106V77 E81V77-R79 PolarHBondContact O-N 3.44Å; V77-R79 VanDerWaalsContact O-N 3.09Å; R79-E81 PolarHBondContact O-N 2.84Å; R79-E81 VanDerWaalsContact O-N 3.13Å
80E65.4Low70.6Confident171 Ų171139.3 Ų139.380%0.79968%0.682SS**  trans-38.9121.2165.4-176.7136-137.500107.8D78 V82D78-E80 PolarHBondContact O-N 3.41Å; E80-V82 VanDerWaalsContact C-N 3.31Å; E80-V82 WeakPolarHBondContact O-CG2 3.07Å; E80-V82 PolarHBondContact O-N 3.01Å
81E63.4Low69.4Low175 Ų175143.6 Ų143.682%0.81869%0.691SS**  trans-68.190.2-160.7-169.5-171.8166.900109.9R79 I83R79-E81 PolarHBondContact O-N 2.84Å; R79-E81 VanDerWaalsContact O-N 3.13Å; E81-I83 WeakPolarHBondContact O-CG1 3.37Å; E81-I83 PolarHBondContact O-N 3.45Å
82V64.4Low68.3Low102 Ų102138.8 Ų138.862%0.61868%0.676SS**  trans-71110.6-162.3-1540000109.4E80 C84E80-V82 VanDerWaalsContact C-N 3.31Å; E80-V82 WeakPolarHBondContact O-CG2 3.07Å; E80-V82 PolarHBondContact O-N 3.01Å; V82-C84 HydrophobicContact CB-CB 4.31Å; V82-C84 HydrophobicContact CG1-CB 3.59Å; V82-C84 VanDerWaalsContact CG1-SG 3.52Å; V82-C84 PolarHBondContact O-N 3.26Å
83I64.2Low67.2Low165 Ų165133.3 Ų133.385%0.84666%0.662SS**  trans-74.243.9175.3-37.5-180000110.2E81E81-I83 WeakPolarHBondContact O-CG1 3.37Å; E81-I83 PolarHBondContact O-N 3.45Å
84C61.6Low66.2Low74 Ų74137 Ų13750%0.567%0.671SS.*  trans-105.323.6-172.671.30000114.3V82V82-C84 HydrophobicContact CB-CB 4.31Å; V82-C84 HydrophobicContact CG1-CB 3.59Å; V82-C84 VanDerWaalsContact CG1-SG 3.52Å; V82-C84 PolarHBondContact O-N 3.26Å
85Y61.5Low65.8Low191 Ų191134.5 Ų134.575%0.74966%0.657SS**SBendtrans-123124.4164.2-65.6-75.9000109.2K87Y85-K87 PolarHBondContact O-N 2.69Å
86P68.9Low65.8Low114 Ų114132.2 Ų132.274%0.7465%0.649SS**  trans-63.5107.9168.227.3-31.8000107.4L88P86-L88 PolarHBondContact O-N 2.91Å
87K65.1Low66.1Low176 Ų176125.2 Ų125.277%0.76563%0.628SS**  trans-61.3108.1172.9-67-177.5179.7-179.80106.9Y85 L89Y85-K87 PolarHBondContact O-N 2.69Å; K87-L89 VanDerWaalsContact C-N 3.35Å; K87-L89 HydrophobicContact CB-CD1 3.89Å; K87-L89 WeakPolarHBondContact O-CD1 3.49Å; K87-L89 PolarHBondContact O-N 2.93Å
88L63.4Low67Low146 Ų146126 Ų12676%0.76462%0.624SS**  trans-72.192.9176.2-69.9172.3000107.9P86 I90P86-L88 PolarHBondContact O-N 2.91Å; L88-I90 HydrophobicContact CB-CD1 4.3Å; L88-I90 HydrophobicContact CB-CG1 4.03Å; L88-I90 PolarHBondContact O-N 3.36Å
89L65.2Low67.3Low156 Ų156126.2 Ų126.282%0.81762%0.618SS**  trans-70.876.8171.4-8470.8000109K87K87-L89 VanDerWaalsContact C-N 3.35Å; K87-L89 HydrophobicContact CB-CD1 3.89Å; K87-L89 WeakPolarHBondContact O-CD1 3.49Å; K87-L89 PolarHBondContact O-N 2.93Å
90I68.6Low67.9Low92 Ų92118 Ų11847%0.47261%0.606SS.*  trans-79.7119.7176.7-58.3177.2000108.5L88 T92 P113L88-I90 HydrophobicContact CB-CD1 4.3Å; L88-I90 HydrophobicContact CB-CG1 4.03Å; L88-I90 PolarHBondContact O-N 3.36Å; I90-T92 VanDerWaalsContact C-N 3.31Å; I90-T92 HydrophobicContact CB-CG2 4.34Å; I90-T92 HydrophobicContact CG2-CG2 3.85Å; I90-T92 PolarHBondContact O-N 2.64Å; I90-P113 HydrophobicContact CG2-CB 3.82Å; I90-P113 HydrophobicContact CG2-CG 3.61Å
91Q65.9Low68.2Low153 Ų153118.4 Ų118.472%0.71561%0.614SS**  trans-74.982.8172.4-71.8179.7-32.400110.4
92T67.9Low68.5Low31 Ų31116.5 Ų116.519%0.1961%0.605CS.*THydrogen-bonded Turntrans-73.4137.9177.859.50000111.4I90 Q94 P113I90-T92 VanDerWaalsContact C-N 3.31Å; I90-T92 HydrophobicContact CB-CG2 4.34Å; I90-T92 HydrophobicContact CG2-CG2 3.85Å; I90-T92 PolarHBondContact O-N 2.64Å; T92-Q94 PolarHBondContact O-N 2.72Å; T92-P113 VanDerWaalsContact CB-O 3.3Å; T92-P113 WeakPolarHBondContact CB-O 3.42Å; T92-P113 HydrophobicContact CG2-CB 4.48Å; T92-P113 WeakPolarHBondContact CG2-O 3.33Å
93G63.5Low69Low24 Ų24119.3 Ų119.325%0.24762%0.616CS.*THydrogen-bonded Turntrans76.84.5178.400000117Q107 S112G93-Q107 PolarHBondContact O-NE2 3.37Å; G93-S112 PolarHBondContact N-OG 3.13Å
94Q65.6Low69.4Low120 Ų120114.9 Ų114.956%0.56159%0.594SS**  trans-118.912-170.2-66.3-173.2-10.400115.1T92 I96 S112T92-Q94 PolarHBondContact O-N 2.72Å; Q94-I96 PolarHBondContact O-N 3.47Å; Q94-S112 PolarHBondContact N-OG 3.03Å
95K73Confident70.4Confident94 Ų94115 Ų11541%0.40959%0.593SS.*EExtended strand (participates in β ladder)trans-65.2119177.5-174.6-169.1178.1-163.50111.1V97 D108 S111 S112K95-V97 HydrophobicContact CD-CG2 4.27Å; K95-V97 HydrophobicContact CG-CG2 4.4Å; K95-D108 HydrophobicContact CB-CB 4.48Å; K95-D108 HydrophobicContact CD-CB 4.38Å; K95-D108 IonicContact NZ-OD2 3.09Å; K95-D108 PolarHBondContact O-N 3.17Å; K95-S111 VanDerWaalsContact CD-OG 3.3Å; K95-S111 WeakPolarHBondContact CD-OG 3.41Å; K95-S111 PolarHBondContact NZ-OG 3.01Å; K95-S112 VanDerWaalsContact CB-OG 3.26Å; K95-S112 WeakPolarHBondContact CB-OG 3.2Å; K95-S112 PolarHBondContact N-OG 3.28Å
96I74.4Confident70.9Confident101 Ų101114.3 Ų114.352%0.51859%0.589SS.*EExtended strand (participates in β ladder)trans-91.3130.3168.5-58177.5000108.7Q94 T105Q94-I96 PolarHBondContact O-N 3.47Å; I96-T105 HydrophobicContact CG2-CG2 3.77Å
97V77.8Confident71.2Confident51 Ų51114.6 Ų114.631%0.30958%0.58SS.*EExtended strand (participates in β ladder)trans-108.8116.8174.5-179.70000108.5K95 W106 D108K95-V97 HydrophobicContact CD-CG2 4.27Å; K95-V97 HydrophobicContact CG-CG2 4.4Å; V97-W106 PolarHBondContact N-O 3.18Å; V97-W106 PolarHBondContact O-N 3.48Å; V97-D108 HydrophobicContact CG2-CB 3.82Å
98H81.3Confident71.4Confident122 Ų122108.2 Ų108.257%0.56555%0.554SS**EExtended strand (participates in β ladder)trans-87.1144.3170.7-63.2-110.5000109.2T105H98-T105 VanDerWaalsContact CE1-CG2 3.47Å; H98-T105 WeakPolarHBondContact CE1-CG2 3.13Å
99F70.8Confident71.7Confident158 Ų158107.1 Ų107.169%0.69355%0.545SS*.  trans-133.4111.2177.5-171.8-90000112I104F99-I104 PolarHBondContact N-O 2.72Å
100G74.3Confident71.6Confident61 Ų61108.2 Ų108.263%0.62955%0.546SS*.SBendtrans85.9-172.3-17700000113.6E102G100-E102 PolarHBondContact O-N 2.93Å
101D71.5Confident71.5Confident180 Ų180106.8 Ų106.896%0.96354%0.544SS*.SBendtrans-84.67.7173.5-58.4-37.8000112.2
102E70.8Confident71.5Confident136 Ų136100.1 Ų100.164%0.63651%0.514SS*.SBendtrans-99.4146.6177.9-60.4176.7171.800109.1G100 I104G100-E102 PolarHBondContact O-N 2.93Å; E102-I104 HydrophobicContact CB-CD1 4.21Å; E102-I104 HydrophobicContact CB-CG1 4.05Å; E102-I104 PolarHBondContact O-N 3.22Å; E102-I104 WeakPolarHBondContact OE2-CD1 3.12Å
103D73.7Confident71.8Confident160 Ų160102.1 Ų102.186%0.85653%0.528SS*.  trans-71.235.4-176-69.6-55.7000114.4T105D103-T105 PolarHBondContact O-N 2.94Å
104I73.4Confident72Confident73 Ų73110.1 Ų110.137%0.37456%0.556SS.*  trans-87.198.1-177.7-52.7-179.4000109.6F99 E102 W106F99-I104 PolarHBondContact N-O 2.72Å; E102-I104 HydrophobicContact CB-CD1 4.21Å; E102-I104 HydrophobicContact CB-CG1 4.05Å; E102-I104 PolarHBondContact O-N 3.22Å; E102-I104 WeakPolarHBondContact OE2-CD1 3.12Å; I104-W106 HydrophobicContact CG2-CZ2 4.35Å
105T81.8Confident72.1Confident77 Ų77105.8 Ų105.847%0.47254%0.539SS..EExtended strand (participates in β ladder)trans-100.9127.5178.355.30000112.6I96 H98 D103I96-T105 HydrophobicContact CG2-CG2 3.77Å; H98-T105 VanDerWaalsContact CE1-CG2 3.47Å; H98-T105 WeakPolarHBondContact CE1-CG2 3.13Å; D103-T105 PolarHBondContact O-N 2.94Å
106W72.5Confident71.8Confident176 Ų176110.7 Ų110.767%0.66756%0.555SS**EExtended strand (participates in β ladder)trans-112.2135.7171.2-57.685.7000110.2V97 I104V97-W106 PolarHBondContact N-O 3.18Å; V97-W106 PolarHBondContact O-N 3.48Å; I104-W106 HydrophobicContact CG2-CZ2 4.35Å
107Q73.8Confident71.8Confident120 Ų120109.2 Ų109.256%0.56155%0.546SS*.EExtended strand (participates in β ladder)trans-83.3124.3171.7-174-179.9-15.200109.8G93 E109G93-Q107 PolarHBondContact O-NE2 3.37Å; Q107-E109 HydrophobicContact CG-CG 4.37Å
108D70.8Confident71.5Confident41 Ų41110.6 Ų110.622%0.21956%0.555CS.*EExtended strand (participates in β ladder)trans-106.391-178-178.5-6.1000110.5K95 V97 H110 S111 S112K95-D108 HydrophobicContact CB-CB 4.48Å; K95-D108 HydrophobicContact CD-CB 4.38Å; K95-D108 IonicContact NZ-OD2 3.09Å; K95-D108 PolarHBondContact O-N 3.17Å; V97-D108 HydrophobicContact CG2-CB 3.82Å; D108-H110 PolarHBondContact O-N 3.37Å; D108-H110 PolarHBondContact OD1-N 2.89Å; D108-S111 VanDerWaalsContact CG-OG 3.27Å; D108-S111 PolarHBondContact OD1-N 3.02Å; D108-S111 WeakPolarHBondContact OD2-CB 3.47Å; D108-S111 PolarHBondContact OD2-OG 3.15Å; D108-S112 PolarHBondContact O-OG 3.36Å
109E69.5Low71Confident123 Ų123111.7 Ų111.758%0.57556%0.558SS**THydrogen-bonded Turntrans-73.2-1.5176.4-58.7-164.5132.100113.3Q107Q107-E109 HydrophobicContact CG-CG 4.37Å
110H62Low71.1Confident179 Ų179108.8 Ų108.883%0.82956%0.558SS**THydrogen-bonded Turntrans-116.1-27.1-170.7-66.3-25.7000115.2D108D108-H110 PolarHBondContact O-N 3.37Å; D108-H110 PolarHBondContact OD1-N 2.89Å
111S67.6Low71.2Confident62 Ų62110.6 Ų110.643%0.43455%0.549SS..THydrogen-bonded Turntrans-102.12171.783.70000114.5K95 D108K95-S111 VanDerWaalsContact CD-OG 3.3Å; K95-S111 WeakPolarHBondContact CD-OG 3.41Å; K95-S111 PolarHBondContact NZ-OG 3.01Å; D108-S111 VanDerWaalsContact CG-OG 3.27Å; D108-S111 PolarHBondContact OD1-N 3.02Å; D108-S111 WeakPolarHBondContact OD2-CB 3.47Å; D108-S111 PolarHBondContact OD2-OG 3.15Å
112S66.6Low71Confident14 Ų14105.6 Ų105.610%0.09852%0.523CS..SBendtrans-65.9145.8158.9-58.90000109.7G93 Q94 K95 D108G93-S112 PolarHBondContact N-OG 3.13Å; Q94-S112 PolarHBondContact N-OG 3.03Å; K95-S112 VanDerWaalsContact CB-OG 3.26Å; K95-S112 WeakPolarHBondContact CB-OG 3.2Å; K95-S112 PolarHBondContact N-OG 3.28Å; D108-S112 PolarHBondContact O-OG 3.36Å
113P72.9Confident71Confident73 Ų73104 Ų10447%0.47452%0.518SS..PPolyproline II helixtrans-60145.2179.8-25.636.5000112.6I90 T92 S115I90-P113 HydrophobicContact CG2-CB 3.82Å; I90-P113 HydrophobicContact CG2-CG 3.61Å; T92-P113 VanDerWaalsContact CB-O 3.3Å; T92-P113 WeakPolarHBondContact CB-O 3.42Å; T92-P113 HydrophobicContact CG2-CB 4.48Å; T92-P113 WeakPolarHBondContact CG2-O 3.33Å; P113-S115 PolarHBondContact O-N 3.42Å
114F68.1Low70.8Confident191 Ų191103 Ų10384%0.83851%0.506SS*.PPolyproline II helixtrans-68.9126.2-179.3176.2-95.8000111.3W116F114-W116 HydrophobicContact CE1-CB 4.32Å
115S67.1Low70.4Confident30 Ų30106.1 Ų106.121%0.2152%0.524CS..PPolyproline II helixtrans-97.9142.6162.8-168.10000110.4P113 E117P113-S115 PolarHBondContact O-N 3.42Å; S115-E117 VanDerWaalsContact C-N 3.31Å; S115-E117 PolarHBondContact OG-N 3.4Å; S115-E117 VanDerWaalsContact OG-N 3.08Å
116W67Low69.3Low196 Ų196108.4 Ų108.474%0.74253%0.533SS*.SBendtrans-82.3-14.3167.858.8-86.6000112F114F114-W116 HydrophobicContact CE1-CB 4.32Å
117E74.3Confident68.1Low71 Ų71106.7 Ų106.733%0.33254%0.542SS..SBendtrans-84.3133.6175.1-62.9179.7102.500110.2S115 Q121 L122S115-E117 VanDerWaalsContact C-N 3.31Å; S115-E117 PolarHBondContact OG-N 3.4Å; S115-E117 VanDerWaalsContact OG-N 3.08Å; E117-Q121 HydrophobicContact CB-CB 4.13Å; E117-L122 HydrophobicContact CB-CD2 3.88Å; E117-L122 HydrophobicContact CB-CG 3.92Å; E117-L122 WeakPolarHBondContact OE2-CD2 3.28Å
118T72.9Confident66.8Low80 Ų80106.7 Ų106.749%0.49155%0.55SS.*  trans-66.6157.3171.165.60000110.5S120 Q121 L122T118-S120 PolarHBondContact O-N 2.7Å; T118-S120 VanDerWaalsContact O-N 3.13Å; T118-Q121 WeakPolarHBondContact O-CA 3.44Å; T118-Q121 WeakPolarHBondContact O-CB 3.4Å; T118-Q121 PolarHBondContact O-N 3.13Å; T118-Q121 PolarHBondContact OG1-OE1 2.76Å; T118-L122 PolarHBondContact O-N 3.06Å
119K69Low65.4Low144 Ų144108 Ų10863%0.62657%0.573SS**Hα-helixtrans-52.1-38.7176.4-170.3166.7-175.7169.90112.7Q121 L122 D123K119-Q121 PolarHBondContact O-N 2.78Å; K119-L122 PolarHBondContact O-N 3.06Å; K119-D123 WeakPolarHBondContact CG-OD2 3.3Å; K119-D123 WeakPolarHBondContact O-CB 3.4Å; K119-D123 VanDerWaalsContact O-CG 3.31Å; K119-D123 PolarHBondContact O-N 2.97Å
120S74.6Confident63.8Low98 Ų98110.5 Ų110.569%0.68559%0.585SS**Hα-helixtrans-67.1-15.7175.7-169.40000115.2T118T118-S120 PolarHBondContact O-N 2.7Å; T118-S120 VanDerWaalsContact O-N 3.13Å
121Q74.8Confident62.5Low98 Ų98107.8 Ų107.846%0.45859%0.586SS.*Hα-helixtrans-94.8-38.5173-70.7161.7-62.600110.5E117 T118 K119 D123 F124E117-Q121 HydrophobicContact CB-CB 4.13Å; T118-Q121 WeakPolarHBondContact O-CA 3.44Å; T118-Q121 WeakPolarHBondContact O-CB 3.4Å; T118-Q121 PolarHBondContact O-N 3.13Å; T118-Q121 PolarHBondContact OG1-OE1 2.76Å; K119-Q121 PolarHBondContact O-N 2.78Å; Q121-D123 VanDerWaalsContact C-N 3.34Å; Q121-D123 PolarHBondContact O-N 2.97Å; Q121-F124 WeakPolarHBondContact O-CB 3.3Å; Q121-F124 PolarHBondContact O-N 2.55Å; Q121-F124 VanDerWaalsContact O-N 3.13Å
122L68.8Low61Low76 Ų76110 Ų11040%0.39860%0.597SS.*Hα-helixtrans-63.7-37.6173.2-66.4172.6000112.6E117 T118 K119 F124E117-L122 HydrophobicContact CB-CD2 3.88Å; E117-L122 HydrophobicContact CB-CG 3.92Å; E117-L122 WeakPolarHBondContact OE2-CD2 3.28Å; T118-L122 PolarHBondContact O-N 3.06Å; K119-L122 PolarHBondContact O-N 3.06Å; L122-F124 PolarHBondContact O-N 3.22Å
123D68.9Low59.6Low101 Ų101118.7 Ų118.754%0.5464%0.636SS.*THydrogen-bonded Turntrans-76.6-2.6176.2-66.7-32.8000112.9K119 Q121 N125K119-D123 WeakPolarHBondContact CG-OD2 3.3Å; K119-D123 WeakPolarHBondContact O-CB 3.4Å; K119-D123 VanDerWaalsContact O-CG 3.31Å; K119-D123 PolarHBondContact O-N 2.97Å; Q121-D123 VanDerWaalsContact C-N 3.34Å; Q121-D123 PolarHBondContact O-N 2.97Å; D123-N125 PolarHBondContact O-N 2.97Å; D123-N125 PolarHBondContact O-ND2 2.83Å
124F70.5Confident57.6Low139 Ų139118.5 Ų118.561%0.6165%0.646SS**  trans-77.979.4-171.5-168.7-113.5000113.4Q121 L122 L126Q121-F124 WeakPolarHBondContact O-CB 3.3Å; Q121-F124 PolarHBondContact O-N 2.55Å; Q121-F124 VanDerWaalsContact O-N 3.13Å; L122-F124 PolarHBondContact O-N 3.22Å; F124-L126 HydrophobicContact CD1-CD2 4.41Å; F124-L126 HydrophobicContact CD1-CG 4Å; F124-L126 HydrophobicContact CE1-CD1 4.12Å; F124-L126 HydrophobicContact CE1-CD2 3.5Å; F124-L126 VanDerWaalsContact CE1-CD2 3.5Å; F124-L126 HydrophobicContact CE1-CG 3.53Å; F124-L126 HydrophobicContact CZ-CD2 3.76Å; F124-L126 HydrophobicContact CZ-CG 4.26Å; F124-L126 PolarHBondContact O-N 2.94Å
125N64.9Low56.1Low140 Ų140117.8 Ų117.875%0.74965%0.65SS**  trans-73.896.1174.9-74.7-100.2000110.6D123 T127D123-N125 PolarHBondContact O-N 2.97Å; D123-N125 PolarHBondContact O-ND2 2.83Å; N125-T127 PolarHBondContact O-N 3.44Å; N125-T127 VanDerWaalsContact O-N 3.11Å
126L58.7Low54.4Low125 Ų125121.3 Ų121.365%0.65467%0.674SS**  trans-66.9103.8164-78.5174.9000109.6F124 T128F124-L126 HydrophobicContact CD1-CD2 4.41Å; F124-L126 HydrophobicContact CD1-CG 4Å; F124-L126 HydrophobicContact CE1-CD1 4.12Å; F124-L126 HydrophobicContact CE1-CD2 3.5Å; F124-L126 VanDerWaalsContact CE1-CD2 3.5Å; F124-L126 HydrophobicContact CE1-CG 3.53Å; F124-L126 HydrophobicContact CZ-CD2 3.76Å; F124-L126 HydrophobicContact CZ-CG 4.26Å; F124-L126 PolarHBondContact O-N 2.94Å; L126-T128 PolarHBondContact O-N 3.19Å
127T46.6Very low52.7Low140 Ų140116.7 Ų116.786%0.85967%0.672SS**  trans-71.368.7165.2-46.40000109.7N125 G129N125-T127 PolarHBondContact O-N 3.44Å; N125-T127 VanDerWaalsContact O-N 3.11Å; T127-G129 PolarHBondContact O-N 3.16Å
128T48.1Very low50.7Low120 Ų120119.1 Ų119.174%0.73670%0.697SS**  trans-57.8127.8172.1-61.30000108.9L126 E130L126-T128 PolarHBondContact O-N 3.19Å; T128-E130 PolarHBondContact O-N 3.38Å
129G40.7Very low48.9Very low67 Ų67121.2 Ų121.269%0.69171%0.71SS**  trans-62.2124.9-166.900000114.1T127T127-G129 PolarHBondContact O-N 3.16Å
130E36.8Very low47Very low177 Ų177119.1 Ų119.183%0.82772%0.719SS**  trans32.493.7140.8-163.8167.3-17500117.6T128 V132T128-E130 PolarHBondContact O-N 3.38Å; E130-V132 HydrophobicContact CG-CG2 3.59Å
131S32.8Very low44.9Very low121 Ų121120.1 Ų120.185%0.84672%0.717SS**  trans-121.9131.414656.20000108.5
132V38Very low42.9Very low110 Ų110126.7 Ų126.767%0.66774%0.739SS**  trans-111.3105.1-158.2-162.30000112E130E130-V132 HydrophobicContact CG-CG2 3.59Å
133Q35.5Very low41.1Very low196 Ų196131.3 Ų131.392%0.91676%0.756SS**  trans-169.1159.5137.7-106.1158.33.100112.4
134G32.5Very low39.5Very low68 Ų68132.6 Ų132.670%0.70177%0.77SS**  trans-68.9178-169.700000115.3
135I35Very low37.5Very low176 Ų176132 Ų13290%0.90378%0.783SS**  -131.2157.163.8-75.7150.5000114.4
136S32.6Very low35.8Very low104 Ų104134.3 Ų134.373%0.72779%0.786SS**  trans-48.2135.8-178.8-104.60000118.2
137S31Very low34.4Very low99 Ų99134 Ų13469%0.69279%0.789SS**  trans20.2134.4131.165.10000121.4
138S32.2Very low33.4Very low122 Ų122132.5 Ų132.585%0.85378%0.78SS**  trans-124.7109.1141.161.70000110.2
139T34.8Very low32.6Very low125 Ų125135.3 Ų135.377%0.76779%0.785SS**  trans-76.5142.1173.244.80000111.4
140A29.2Very low31.9Very low100 Ų100137 Ų13783%0.82679%0.785SS**  trans-138.699.9165.600000109.9
141D30Very low31.7Very low119 Ų119134.2 Ų134.264%0.63679%0.785SS**  trans-72.6133.8179.4-65.1-108.7000113
142Y33.9Very low31.6Very low235 Ų235136.9 Ų136.992%0.92278%0.784SS**  trans-135140.8144.3-82.8-74.5000110.4
143K31Very low31.3Very low174 Ų174139.2 Ų139.276%0.75780%0.798SS**  trans-102.8149.1-162-65.5-176.3179.5179.50113.1
144P33.9Very low31.1Very low128 Ų128133.1 Ų133.183%0.83179%0.788SS**  trans-82.1135.8-178.432-35.1000113.6
145S29Very low31.1Very low125 Ų125139 Ų13987%0.87479%0.794SS**  trans-111.782.7177.9-73.20000113.3
146K30.1Very low30.7Very low189 Ų189138.1 Ų138.182%0.82279%0.788SS**  trans13.8141.9142.5-174.7172.7179.6-179.10121
147V28.2Very low30.5Very low118 Ų118138 Ų13872%0.71578%0.783SS**  trans80.3136.7157.91460000115.3
148T25.7Very low30.7Very low110 Ų110141.5 Ų141.568%0.67579%0.789SS**  cis-163.5175.73.9-117.60000113.7
149Q31.8Very low30.6Very low179 Ų179141.4 Ų141.484%0.83679%0.788SS**  trans74.7131.4174.3-82.1167.22.200116.2
150C24.8Very low30.4Very low103 Ų103141.4 Ų141.470%0.69679%0.793SS**  cis107.41027.2-168.20000116.3
151S33Very low30.9Very low117 Ų117145.3 Ų145.382%0.81879%0.791SS**  trans-179.6102.7148.7-780000107.6
152Q30.9Very low31.1Very low178 Ų178145.9 Ų145.983%0.83280%0.799SS**  60.489.575.2-71.7-144.129.400117.2
153V31.6Very low30.7Very low158 Ų158140.5 Ų140.596%0.95880%0.795SS**  -176145.6123.6-91.90000109.7
154G32Very low30.7Very low68 Ų68139 Ų13970%0.70180%0.796SS**  cis168.3127.3-16.900000115.5
155K31.6Very low30.5Very low192 Ų192136.3 Ų136.384%0.83579%0.791SS**  trans64.8131.4153.8-69.5-179.3179.3177.40119.2
156M26.7Very low31Very low157 Ų157138.5 Ų138.577%0.77379%0.787SS**  80.7137.558-69.3173.662.400113.9
157T29.6Very low31.1Very low101 Ų101134.6 Ų134.662%0.6278%0.784SS**  cis-164.4156.74.870000114.4
158Q35Very low31.7Very low174 Ų174137.2 Ų137.281%0.81379%0.793SS**  trans58.4120.5144.5-72.6167.8-2.400124.7
159S30.6Very low32.1Very low120 Ų120135.8 Ų135.884%0.83980%0.8SS**  36.8123.4117.9170.50000123
160S30.7Very low32.4Very low124 Ų124136.2 Ų136.287%0.86781%0.807SS**  trans-162.9-172.3131.5-157.30000112.9
161K38Very low32.8Very low183 Ų183134.7 Ų134.780%0.79681%0.808SS**  trans-137.6158.7-158.9-155.5-169.6-178.5-178.50114.7
162V34.3Very low33.3Very low131 Ų131141.2 Ų141.279%0.79482%0.815SS**  trans61.1141.4171.8-51.30000117
163S26.6Very low33.6Very low121 Ų121143 Ų14385%0.84682%0.82SS**  cis-165.9-166.344.7-163.60000112.4
164N30.8Very low33.9Very low143 Ų143141.5 Ų141.577%0.76580%0.803SS**  trans-69.5149.7-170.4-165.854.5000115.7
165G30.3Very low34.9Very low71 Ų71147.2 Ų147.273%0.73281%0.811SS**  trans-177110.5172.800000112.5
166E38.2Very low35.6Very low171 Ų171143.5 Ų143.580%0.79981%0.809SS**  trans-92.6138-175.760-145.571.400113.7
167S32.1Very low37Very low107 Ų107138.6 Ų138.675%0.74879%0.79SS**  trans145.2120.3149-170.20000113.6
168L42.2Very low37.9Very low173 Ų173137.3 Ų137.391%0.90679%0.786SS**  trans30.3104.9148.4-56.4173.7000119.6
169G32.3Very low38.8Very low80 Ų80137.4 Ų137.483%0.82578%0.784SS**  trans-163.8136.8165.800000114.1
170L38.6Very low39.5Very low189 Ų189141.8 Ų141.899%0.9978%0.782SS**  trans-60.4143.1178.1-96.859.4000113.6
171G33.6Very low40.3Very low70 Ų70141.6 Ų141.672%0.72277%0.766SS**  trans151.1113.714700000119.1
172R43.5Very low41.1Very low255 Ų255138 Ų13896%0.96275%0.754SS**  trans50.4104.3153.5-53.5-171.5-129.2-102.84.9119.5
173K37.9Very low41.9Very low216 Ų216135.9 Ų135.994%0.93975%0.745SS**  -169.396.5121.3-146.3177.9-176.3-175.60114
174E38.2Very low43Very low126 Ų126133.4 Ų133.459%0.58973%0.732SS**  trans-171.595.3147.9-174.7179.9-133.200108.5K181E174-K181 IonicContact OE2-NZ 2.72Å; E174-K181 PolarHBondContact OE2-NZ 2.84Å; E174-K181 VanDerWaalsContact OE2-NZ 3.09Å
175E51Low43.9Very low187 Ų187134.3 Ų134.387%0.87473%0.731SS**  trans-130.748.8171.4-159.9-175.8160.300110.2
176S48.2Very low44.5Very low114 Ų114140.9 Ų140.980%0.79773%0.734SS**SBendtrans-149.331.2-179.166.30000112.7
177S54.7Low45.2Very low54 Ų54136.5 Ų136.538%0.37872%0.723SS.*  trans-14914175.3-151.10000113.7F179S177-F179 PolarHBondContact O-N 3.34Å
178S49.9Very low46Very low74 Ų74142.2 Ų142.252%0.51773%0.728SS.*Hα-helixtrans-67.8-32.5-172.9-43.70000113.5W180 K181S178-W180 PolarHBondContact O-N 3.35Å; S178-K181 PolarHBondContact O-N 2.96Å
179F52.3Low46.2Very low177 Ų177141.4 Ų141.478%0.77672%0.723SS**Hα-helixtrans-67-36.9-170.2-150-93000113.5S177S177-F179 PolarHBondContact O-N 3.34Å
180W45.9Very low47Very low212 Ų212146.5 Ų146.580%0.80373%0.726SS**Hα-helixtrans-83.2-17178.3-62104.7000113.4S178S178-W180 PolarHBondContact O-N 3.35Å
181K48.6Very low47.5Very low120 Ų120141.1 Ų141.152%0.52272%0.716SS.*Hα-helixtrans-76.3-29.3-172.1-141.7159.6-174168.10112.7E174 S178 S183 A184 E185E174-K181 IonicContact OE2-NZ 2.72Å; E174-K181 PolarHBondContact OE2-NZ 2.84Å; E174-K181 VanDerWaalsContact OE2-NZ 3.09Å; S178-K181 PolarHBondContact O-N 2.96Å; K181-S183 VanDerWaalsContact C-N 3.29Å; K181-S183 PolarHBondContact O-N 3.45Å; K181-A184 PolarHBondContact O-N 3.33Å; K181-E185 PolarHBondContact O-N 2.84Å
182I54.2Low48.2Very low108 Ų108146.6 Ų146.655%0.55472%0.723SS**Hα-helixtrans-61.1-36.5-179.2-42.7179.6000111.8
183S50.5Low48Very low85 Ų85142.9 Ų142.959%0.59472%0.717SS**Hα-helixtrans-68.2-37.9-178.9-51.60000112.7K181K181-S183 VanDerWaalsContact C-N 3.29Å; K181-S183 PolarHBondContact O-N 3.45Å
184A50Low48.7Very low70 Ų70135.7 Ų135.758%0.57970%0.698SS**Hα-helixtrans-69.6-39.1-178.100000112.2K181 R186 S187K181-A184 PolarHBondContact O-N 3.33Å; A184-R186 PolarHBondContact O-N 2.97Å; A184-S187 WeakPolarHBondContact O-CB 3.48Å; A184-S187 PolarHBondContact O-N 3.06Å
185E48.7Very low49.2Very low161 Ų161137 Ų13775%0.75271%0.708SS**Hα-helixtrans-74.3-27.5-174.6-151.7149.5-134.900112.4K181 S187K181-E185 PolarHBondContact O-N 2.84Å; E185-S187 VanDerWaalsContact C-N 3.33Å
186R44.6Very low49.2Very low209 Ų209136.9 Ų136.979%0.78971%0.706SS**Hα-helixtrans-70.6-23170-76.7-175.8165.3-131-3.7114.2A184 R188A184-R186 PolarHBondContact O-N 2.97Å; R186-R188 VanDerWaalsContact C-N 3.26Å; R186-R188 PolarHBondContact O-N 3.17Å
187S52Low49.9Very low80 Ų80138.8 Ų138.856%0.55970%0.702SS**G310 helixtrans-73.7-15.3-179-166.10000113.5A184 E185 L189A184-S187 WeakPolarHBondContact O-CB 3.48Å; A184-S187 PolarHBondContact O-N 3.06Å; E185-S187 VanDerWaalsContact C-N 3.33Å; S187-L189 PolarHBondContact O-N 3.08Å; S187-L189 VanDerWaalsContact O-N 3.15Å
188R49.3Very low50.5Low226 Ų226141.5 Ų141.585%0.85372%0.72SS**G310 helixtrans-84.421.8-171.8-155.9-174.3158.791.62.3114.1R186R186-R188 VanDerWaalsContact C-N 3.26Å; R186-R188 PolarHBondContact O-N 3.17Å
189L45.9Very low51.6Low156 Ų156141.4 Ų141.482%0.81771%0.714SS**G310 helixtrans-127.63.5178.6-68.3168.8000112.8S187 G191S187-L189 PolarHBondContact O-N 3.08Å; S187-L189 VanDerWaalsContact O-N 3.15Å; L189-G191 PolarHBondContact O-N 2.82Å
190E48.4Very low52.9Low187 Ų187136.4 Ų136.487%0.87470%0.698SS**  trans-74.788.3174.6-170.4175.6-11900110.1
191G50.3Low54Low77 Ų77131.6 Ų131.679%0.79469%0.694SS**  trans-154.33.2179.900000115L189L189-G191 PolarHBondContact O-N 2.82Å
192E47.4Very low54.8Low185 Ų185129.9 Ų129.986%0.86470%0.697SS**SBendtrans-133.2126.4178.3-166.2156.6-179.100109.5A194E192-A194 PolarHBondContact O-N 3.11Å
193Q40.7Very low55.8Low176 Ų176128.6 Ų128.682%0.82269%0.688SS**  trans-72.589.2-171.8-80.7-75.3107.200111.1D195Q193-D195 PolarHBondContact O-N 3.13Å
194A52.9Low57Low66 Ų66128.9 Ų128.955%0.54568%0.682SS.*  trans-81.494.1172.300000110.5E192 F196E192-A194 PolarHBondContact O-N 3.11Å; A194-F196 HydrophobicContact CB-CD2 3.63Å; A194-F196 HydrophobicContact CB-CE2 3.56Å; A194-F196 HydrophobicContact CB-CZ 4.47Å; A194-F196 PolarHBondContact O-N 3.06Å
195D46.8Very low57.8Low152 Ų152133 Ų13381%0.81369%0.687SS**  trans-6862.2173.9-89.5-37.4000112.2Q193 H197Q193-D195 PolarHBondContact O-N 3.13Å; D195-H197 PolarHBondContact O-N 3.48Å
196F50.9Low58.7Low186 Ų186128.8 Ų128.882%0.81668%0.676SS**  trans-7790.9171.7-72.5-58000110.1A194 S198A194-F196 HydrophobicContact CB-CD2 3.63Å; A194-F196 HydrophobicContact CB-CE2 3.56Å; A194-F196 HydrophobicContact CB-CZ 4.47Å; A194-F196 PolarHBondContact O-N 3.06Å; F196-S198 PolarHBondContact O-N 2.94Å
197H63.3Low59.6Low154 Ų154125.1 Ų125.171%0.71367%0.671SS**  trans-54.5110.5168-172.878.3000109.8D195 L199D195-H197 PolarHBondContact O-N 3.48Å; H197-L199 PolarHBondContact O-N 3.08Å
198S68.1Low60.1Low110 Ų110129.3 Ų129.377%0.76968%0.682SS**  trans-74.586-167.944.60000112.2F196 T200F196-S198 PolarHBondContact O-N 2.94Å; S198-T200 PolarHBondContact O-N 3.46Å
199L72.8Confident60.7Low73 Ų73126.6 Ų126.638%0.38268%0.676SS.*  trans-60.2128.9176.6-63.7-179.1000111.3H197 Q203 I204H197-L199 PolarHBondContact O-N 3.08Å; L199-Q203 HydrophobicContact CB-CB 4.11Å; L199-Q203 HydrophobicContact CD2-CB 4.06Å; L199-I204 HydrophobicContact CB-CD1 4.44Å; L199-I204 HydrophobicContact CB-CG1 3.85Å; L199-I204 HydrophobicContact CD1-CG1 4.49Å
200T80.1Confident61.4Low72 Ų72122.6 Ų122.644%0.44267%0.672SS.*  trans-63.7155.9170.962.50000110.8S198 S202 Q203 I204S198-T200 PolarHBondContact O-N 3.46Å; T200-S202 PolarHBondContact O-N 3.3Å; T200-Q203 PolarHBondContact O-N 3.49Å; T200-Q203 WeakPolarHBondContact OG1-CG 3.26Å; T200-Q203 PolarHBondContact OG1-N 3.38Å; T200-Q203 PolarHBondContact OG1-OE1 2.71Å; T200-I204 PolarHBondContact O-N 3.15Å
201P68.6Low61.6Low111 Ų111121.1 Ų121.172%0.72167%0.666SS**Hα-helixtrans-54.2-28.9177.5-28.436000114.1K205P201-K205 WeakPolarHBondContact O-CB 3.34Å; P201-K205 PolarHBondContact O-N 2.91Å; P201-K205 VanDerWaalsContact O-N 3.17Å
202S66.2Low61.8Low83 Ų83126 Ų12658%0.5867%0.665SS**Hα-helixtrans-68.9-43.8174.4-163.40000112.4T200 I204 K205 S206T200-S202 PolarHBondContact O-N 3.3Å; S202-I204 VanDerWaalsContact C-N 3.33Å; S202-I204 PolarHBondContact O-N 3.01Å; S202-K205 PolarHBondContact O-N 2.91Å; S202-S206 PolarHBondContact O-N 3.34Å; S202-S206 PolarHBondContact O-OG 3.2Å
203Q75.3Confident61.8Low81 Ų81123.4 Ų123.438%0.37966%0.664SS.*Hα-helixtrans-64.9-37.6179-72162.4-72.300111.9L199 T200 S206 L207L199-Q203 HydrophobicContact CB-CB 4.11Å; L199-Q203 HydrophobicContact CD2-CB 4.06Å; T200-Q203 PolarHBondContact O-N 3.49Å; T200-Q203 WeakPolarHBondContact OG1-CG 3.26Å; T200-Q203 PolarHBondContact OG1-N 3.38Å; T200-Q203 PolarHBondContact OG1-OE1 2.71Å; Q203-S206 PolarHBondContact O-N 3.47Å; Q203-L207 PolarHBondContact O-N 3.28Å; Q203-L207 VanDerWaalsContact O-N 3.15Å
204I73.9Confident62Low91 Ų91122 Ų12247%0.46766%0.662SS.*Hα-helixtrans-62.7-47.5174.4-59.1171.2000110L199 T200 S202 S206 L207 E208L199-I204 HydrophobicContact CB-CD1 4.44Å; L199-I204 HydrophobicContact CB-CG1 3.85Å; L199-I204 HydrophobicContact CD1-CG1 4.49Å; T200-I204 PolarHBondContact O-N 3.15Å; S202-I204 VanDerWaalsContact C-N 3.33Å; S202-I204 PolarHBondContact O-N 3.01Å; I204-S206 VanDerWaalsContact C-N 3.3Å; I204-S206 PolarHBondContact O-N 3.46Å; I204-L207 PolarHBondContact O-N 3.02Å; I204-E208 PolarHBondContact O-N 3.26Å
205K67.3Low61.3Low157 Ų157123.5 Ų123.568%0.68367%0.666SS**Hα-helixtrans-64.4-31.1179.3-166.6168.2-177.3173.40113.3P201 S202 K209P201-K205 WeakPolarHBondContact O-CB 3.34Å; P201-K205 PolarHBondContact O-N 2.91Å; P201-K205 VanDerWaalsContact O-N 3.17Å; S202-K205 PolarHBondContact O-N 2.91Å; K205-K209 PolarHBondContact O-N 3.34Å
206S67.8Low61.4Low73 Ų73121.6 Ų121.651%0.5166%0.664SS.*Hα-helixtrans-73.8-21.2171-67.90000114.2S202 Q203 I204 K209S202-S206 PolarHBondContact O-N 3.34Å; S202-S206 PolarHBondContact O-OG 3.2Å; Q203-S206 PolarHBondContact O-N 3.47Å; I204-S206 VanDerWaalsContact C-N 3.3Å; I204-S206 PolarHBondContact O-N 3.46Å; S206-K209 VanDerWaalsContact O-O 3.11Å
207L64.5Low60.9Low131 Ų131122.9 Ų122.969%0.68667%0.665SS**Hα-helixtrans-90.1-33-179.8-154.9152.2000111.3Q203 I204Q203-L207 PolarHBondContact O-N 3.28Å; Q203-L207 VanDerWaalsContact O-N 3.15Å; I204-L207 PolarHBondContact O-N 3.02Å
208E62.4Low60Low168 Ų168123.5 Ų123.579%0.78567%0.673SS**Hα-helixtrans-67-42.9172.3-169.2-174.4113.600112.4I204 G210I204-E208 PolarHBondContact O-N 3.26Å; E208-G210 PolarHBondContact O-N 2.83Å; E208-G210 VanDerWaalsContact O-N 3.13Å
209K60.5Low58.2Low169 Ų169127.6 Ų127.674%0.73567%0.672SS**THydrogen-bonded Turntrans-81.985.5167.2-73.9-156.2175-170.70109.9K205 S206 E211K205-K209 PolarHBondContact O-N 3.34Å; S206-K209 VanDerWaalsContact O-O 3.11Å; K209-E211 VanDerWaalsContact C-N 3.29Å; K209-E211 PolarHBondContact O-N 3.13Å
210G60.7Low56.2Low72 Ų72132.8 Ų132.874%0.74269%0.694SS**THydrogen-bonded Turntrans-54.677.9-175.400000116.2E208E208-G210 PolarHBondContact O-N 2.83Å; E208-G210 VanDerWaalsContact O-N 3.13Å
211E52.8Low53.7Low156 Ų156135.4 Ų135.473%0.72970%0.701SS**PPolyproline II helixtrans-77.6130.2171.7-172170.1-177.300109.8K209K209-E211 VanDerWaalsContact C-N 3.29Å; K209-E211 PolarHBondContact O-N 3.13Å
212K55.5Low52.2Low181 Ų181135.9 Ų135.979%0.78770%0.704SS**PPolyproline II helixtrans-74.3135.9-179-63.6169.4-176.5171.80108.9L214K212-L214 PolarHBondContact O-N 2.5Å; K212-L214 VanDerWaalsContact O-N 3.07Å
213P46.7Very low50.5Low130 Ų130137.5 Ų137.584%0.84471%0.711SS**PPolyproline II helixtrans-59.8117.2176.224.2-33.2000110.5
214L45.7Very low48.5Very low146 Ų146139.7 Ų139.776%0.76473%0.732SS**PPolyproline II helixtrans-73.7155.2175.7-78.5173000111.1K212K212-L214 PolarHBondContact O-N 2.5Å; K212-L214 VanDerWaalsContact O-N 3.07Å
215P38.1Very low46.6Very low97 Ų97145 Ų14563%0.6375%0.752SS**PPolyproline II helixtrans-79.2151-151.929.5-36.9000115.6Y217P215-Y217 VanDerWaalsContact C-N 3.35Å; P215-Y217 HydrophobicContact CB-CD2 4.26Å; P215-Y217 PolarHBondContact O-N 2.72Å
216S47.6Very low44.9Very low113 Ų113146.2 Ų146.279%0.7976%0.76SS**SBendtrans-67.777.3178.4173.40000113.5
217Y41.8Very low43.2Very low213 Ų213148 Ų14884%0.83577%0.767SS**  trans-128.62.2175.2-85.9-76.2000115.7P215P215-Y217 VanDerWaalsContact C-N 3.35Å; P215-Y217 HydrophobicContact CB-CD2 4.26Å; P215-Y217 PolarHBondContact O-N 2.72Å
218L42.9Very low41.6Very low166 Ų166150 Ų15087%0.86977%0.773SS**  trans-122.345.8178.7-156.572.2000113.5
219R31.7Very low40.1Very low197 Ų197150.4 Ų150.474%0.74378%0.775SS**  trans-103.995.6167-175.5173.9178.4159.8-0.4109.6E221R219-E221 IonicContact CZ-OE1 2.87Å; R219-E221 IonicContact NE-OE1 3.69Å; R219-E221 PolarHBondContact NE-OE1 2.93Å; R219-E221 IonicContact NH2-OE1 3.59Å; R219-E221 PolarHBondContact NH2-OE1 3.4Å
220Q29.5Very low38.6Very low181 Ų181148.1 Ų148.185%0.84678%0.776SS**  trans-94.6111.5166.7-74.2-173-53.700109.4
221E28.8Very low37.6Very low127 Ų127150.2 Ų150.259%0.59378%0.776SS**PPolyproline II helixtrans-78.7126.3172.2-67.4-83.6131.900110.2R219R219-E221 IonicContact CZ-OE1 2.87Å; R219-E221 IonicContact NE-OE1 3.69Å; R219-E221 PolarHBondContact NE-OE1 2.93Å; R219-E221 IonicContact NH2-OE1 3.59Å; R219-E221 PolarHBondContact NH2-OE1 3.4Å
222P37Very low37.5Very low121 Ų121148.3 Ų148.379%0.78678%0.777SS**PPolyproline II helixtrans-81.7119168.531.3-30.8000110.6
223T30.3Very low36.8Very low117 Ų117145.4 Ų145.472%0.71878%0.777SS**PPolyproline II helixtrans-77140.5172.442.30000111.7
224P33.1Very low36.5Very low128 Ų128145.2 Ų145.283%0.83178%0.776SS**PPolyproline II helixtrans-72147.3173.330.9-34.4000110.8
225K33.4Very low36.4Very low202 Ų202149.1 Ų149.188%0.87878%0.78SS**  trans-133.4144.9169.8-74.1-168.4175.7-172.10110.3
226E32.5Very low36.2Very low183 Ų183151.7 Ų151.786%0.85579%0.794SS**  trans-126.2158.8176-135.2176.2-166.100109.3
227T32.1Very low35.6Very low109 Ų109152.3 Ų152.367%0.66979%0.793SS**  trans75.898.6154.2-510000119.7
228E31.1Very low35.3Very low173 Ų173152.5 Ų152.581%0.80880%0.798SS**  96.4142.5123.8-159.7159.1-156.600123.7
229E29.5Very low34.9Very low177 Ų177153.7 Ų153.783%0.82780%0.799SS**  trans66.6168.4165.5-89.4-159.1122.900125.1
230T30.2Very low34.8Very low121 Ų121155.1 Ų155.174%0.74281%0.805SS**  trans-136.8175.5-160.2-16.10000108
231P39.4Very low35.1Very low117 Ų117151 Ų15176%0.7680%0.802SS**  cis-125.4-176-3.217.310.9000115.4
232P50.7Low35.5Very low115 Ų115151.3 Ų151.375%0.74781%0.813SS**  trans-100.4163.2-16939.6-37000116.3
233P41.6Very low35.4Very low120 Ų120156.6 Ų156.678%0.77982%0.817SS**  -153-166.5110.539-20000113.9
234P39.8Very low36.1Very low126 Ų126156.1 Ų156.182%0.81882%0.816SS**  -122.2-172.6-57.238-23.3000113.3
235R42.7Very low36.7Very low228 Ų228156.2 Ų156.286%0.8682%0.816SS**  trans-72.8156.3-175.4-57.1170.5178.3166.7-3.7114.9
236V34.7Very low37.1Very low151 Ų151150.9 Ų150.992%0.91581%0.81SS**  trans-129.6108149.4-84.10000111.5
237T34.4Very low38Very low127 Ų127147.9 Ų147.978%0.77981%0.806SS**  trans-84.1137.7168.630.90000110.5
238K36.4Very low39.2Very low216 Ų216148.3 Ų148.394%0.93981%0.811SS**  trans-106.4136.3166.1-108.8178.7177.7176.70110.3
239Q35Very low40Very low191 Ų191145.6 Ų145.689%0.89381%0.809SS**PPolyproline II helixtrans-88.8160.4-164.2-73.6-179.8-28.900114.4
240R29.2Very low40.6Very low227 Ų227143.2 Ų143.286%0.85781%0.808SS**PPolyproline II helixtrans-69.2138.7179.2-179.4-174.9-162.6173.88.2112.4
241A34.8Very low41.4Very low96 Ų96143.7 Ų143.779%0.79381%0.811SS**PPolyproline II helixtrans-89.2142.6158.900000110.3
242T37.2Very low41.5Very low132 Ų132144 Ų14481%0.8181%0.812SS**PPolyproline II helixtrans-94.2147.6-174.144.60000112.9
243R35.1Very low40.9Very low233 Ų233146.1 Ų146.188%0.87982%0.816SS**  trans-106.1141.5173.6-161.7174.8-161.7-96.94.2108.9
244P44.7Very low40.8Very low106 Ų106145.9 Ų145.969%0.68882%0.817SS**PPolyproline II helixtrans-66.2156.7-178.726.1-35.9000113.3
245P45.3Very low40.9Very low130 Ų130145.6 Ų145.684%0.84481%0.813SS**PPolyproline II helixtrans-73.2156.3179.331.6-36000112.9
246A43.5Very low40.9Very low90 Ų90140 Ų14074%0.74481%0.806SS**PPolyproline II helixtrans-95.6155.9173.800000111.5
247P49.9Very low41.2Very low120 Ų120138.8 Ų138.878%0.77980%0.801SS**PPolyproline II helixtrans-73156.6-178.930.3-36.1000113.5
248P58.8Low41.3Very low119 Ų119140 Ų14077%0.77380%0.803SS**PPolyproline II helixtrans-76.8156.6179.732.2-36.1000113.5
249P46.4Very low41.1Very low116 Ų116135.7 Ų135.775%0.75379%0.794SS**PPolyproline II helixtrans-75.6160.4176.132.5-36.1000113.1
250P42.7Very low41.2Very low126 Ų126131.4 Ų131.482%0.81879%0.792SS**PPolyproline II helixtrans-74.6150.5-178.631.1-36000113.5
251V46.7Very low41.5Very low131 Ų131129 Ų12979%0.79479%0.794SS**PPolyproline II helixtrans-81.5145.6174.4-840000112.5
252P41.4Very low41.5Very low123 Ų123129.1 Ų129.180%0.79979%0.789SS**PPolyproline II helixtrans-72.2138.4175.430.3-34.4000111.7
253I39.3Very low41.3Very low160 Ų160128.8 Ų128.882%0.82179%0.786SS**PPolyproline II helixtrans-81.3127.6177.4-64.7172.4000109.6
254S38.6Very low41.2Very low115 Ų115124.1 Ų124.180%0.80478%0.784SS**PPolyproline II helixtrans-86.8141.6170.3-173.60000110.7
255V42.8Very low41.7Very low120 Ų120124.6 Ų124.673%0.72779%0.787SS**  trans-120.4136.2173.9-72.20000110.4
256P42.6Very low41.2Very low111 Ų111126.7 Ų126.772%0.72179%0.788SS**  trans-84156.5-172.633.9-36.3000113.2
257P41.3Very low40.6Very low125 Ų125126.7 Ų126.781%0.81278%0.782SS**  trans-83.8150.7174.734.6-34.8000112.4
258L35.1Very low39.8Very low154 Ų154126.7 Ų126.781%0.80678%0.78SS**  trans-124.1121.4165.7-11484000112.1
259T33.7Very low38.8Very low125 Ų125127.4 Ų127.477%0.76778%0.782SS**  trans31.1124.5142.853.60000120.8
260A35.6Very low39.2Very low101 Ų101127.2 Ų127.284%0.83578%0.781SS**  trans-76.5157170.500000114.2
261I36Very low38.7Very low175 Ų175127.9 Ų127.990%0.89778%0.783SS**  trans-136.3148.1157.2-42.6177.3000107.3
262S34Very low38.6Very low100 Ų100127.1 Ų127.170%0.69978%0.781SS**  trans-128.2142.7178.8176.30000109.9
263V33.3Very low38.3Very low124 Ų124125.8 Ų125.875%0.75278%0.78SS**  175.9146.7120.5-80.20000114.5
264T34.5Very low38.6Very low135 Ų135123.9 Ų123.983%0.82878%0.778SS**  trans67140.5151.245.10000122.3
265P54.9Low38.6Very low117 Ų117126 Ų12676%0.7678%0.779SS**  trans-115.9168.6176.842.1-33000114.9
266M33.4Very low38.1Very low173 Ų173125.6 Ų125.685%0.85278%0.781SS**  164.7160.4129.3-92.6-176.972.500115.2
267S31.3Very low37.8Very low90 Ų90126.5 Ų126.563%0.62979%0.785SS**  trans90101.6147-830000124.1
268V33.2Very low37.4Very low120 Ų120126 Ų12673%0.72778%0.784SS**  70.3120.2125.7-57.30000125.2
269T37.8Very low37.3Very low135 Ų135124.3 Ų124.383%0.82879%0.785SS**  trans80.3153.8136.748.80000122.1
270P54.1Low37.5Very low112 Ų112124.8 Ų124.873%0.72779%0.788SS**  trans-122.5169.8-157.543.1-30.4000116.2
271T32.7Very low37.7Very low139 Ų139126.4 Ų126.485%0.85379%0.787SS**  trans-170.4151.2149.3-790000109.4
272P45.6Very low37.9Very low115 Ų115121.8 Ų121.875%0.74778%0.775SS**  trans-119.6-179.9-162.842.7-31.7000116.9
273A35.4Very low37.9Very low95 Ų95120.3 Ų120.379%0.78578%0.775SS**  trans76.8161.5160.400000117.5
274P45.4Very low38.1Very low121 Ų121126.4 Ų126.479%0.78679%0.785SS**  cis-123.91695.141.5-27.5000117.4
275I38.6Very low38.4Very low159 Ų159129 Ų12982%0.81579%0.788SS**  trans-46.6144.9167.85.6172.6000114
276S32.2Very low37.6Very low112 Ų112133.6 Ų133.678%0.78379%0.79SS**  trans-128.5126.2155.7-174.50000109
277V36.1Very low38Very low130 Ų130130.1 Ų130.179%0.78879%0.789SS**  trans-108.9135.2174.9-74.20000109.3
278S31.9Very low38.3Very low113 Ų113133.1 Ų133.179%0.7979%0.793SS**  trans-137.9114.1170.4-75.10000109.1
279S34.1Very low38.4Very low120 Ų120132.5 Ų132.584%0.83979%0.794SS**  trans-72.4140.2173.2-179.20000110
280T37.6Very low38.8Very low135 Ų135132.3 Ų132.383%0.82879%0.793SS**  trans-136.9137.5163.1-66.60000108.1
281V40.4Very low38.3Very low134 Ų134134.2 Ų134.281%0.81280%0.796SS**PPolyproline II helixtrans-75149.3-168.170.80000112.9G283V281-G283 PolarHBondContact O-N 3.26Å
282A38.6Very low38.7Very low79 Ų79132.9 Ų132.965%0.65379%0.79SS**PPolyproline II helixtrans-73.1117.6178.300000112.4
283G34.8Very low38Very low68 Ų68133.2 Ų133.270%0.70180%0.795SS**PPolyproline II helixtrans-89.8126161.700000110.5V281 E285V281-G283 PolarHBondContact O-N 3.26Å; G283-E285 PolarHBondContact O-N 3.43Å; G283-E285 VanDerWaalsContact O-N 3.13Å
284W38.2Very low38Very low253 Ų253134 Ų13496%0.95879%0.789SS**  trans-84.479.5179.7-76.259.4000111
285E40.2Very low37.5Very low190 Ų190133.2 Ų133.289%0.88879%0.787SS**  trans-75.5130.8176.5-66.8-142.4130.600112.7G283 A287G283-E285 PolarHBondContact O-N 3.43Å; G283-E285 VanDerWaalsContact O-N 3.13Å; E285-A287 PolarHBondContact O-N 3.5Å
286R38.9Very low37.4Very low213 Ų213132.7 Ų132.780%0.80479%0.786SS**  trans-84.191.6-173.9-177.7-174.2-66.41380.8110.9Q288R286-Q288 PolarHBondContact O-N 3.21Å
287A41.1Very low37.8Very low100 Ų100133.6 Ų133.683%0.82679%0.787SS**  trans-59.5108.7170.100000111.1E285E285-A287 PolarHBondContact O-N 3.5Å
288Q37.5Very low37.9Very low153 Ų153133.9 Ų133.972%0.71579%0.789SS**  trans-88.5113.8169.3-72.4-72.3-87.300109R286 T290R286-Q288 PolarHBondContact O-N 3.21Å; Q288-T290 PolarHBondContact O-N 2.83Å
289S34.5Very low37.9Very low107 Ų107137.2 Ų137.275%0.74879%0.792SS**  trans-82.8108.8177.2-173.90000110.7
290T45.9Very low38.2Very low131 Ų131140.3 Ų140.380%0.80479%0.793SS**  trans-11093.8174.941.70000110.4Q288Q288-T290 PolarHBondContact O-N 2.83Å
291L45.1Very low38.2Very low151 Ų151139.7 Ų139.779%0.79179%0.789SS**  trans-104.4140.2171.1-65.1179.4000110.7
292P39.6Very low38.1Very low112 Ų112142.2 Ų142.273%0.72779%0.789SS**  trans-76.6141.1-17530.7-35000112.4
293S31.7Very low38.1Very low121 Ų121145.4 Ų145.485%0.84680%0.801SS**  trans-72.6133.4166.5-1760000110.4
294V35.7Very low38.2Very low111 Ų111147.7 Ų147.767%0.67381%0.806SS**  trans-123.4102.9174.3-177.50000109
295S34.4Very low37.7Very low106 Ų106139 Ų13974%0.74180%0.795SS**  trans-83.6137.5164.344.30000109.9
296N35.9Very low37.5Very low147 Ų147138.9 Ų138.979%0.78680%0.799SS**  trans-135.2130.7171.7-92.6-39.8000109.6
297T41.4Very low37.1Very low132 Ų132132.6 Ų132.681%0.8179%0.793SS**  trans-137.1110-177.551.30000110.3
298V38.7Very low36.6Very low135 Ų135134.3 Ų134.382%0.81879%0.788SS**  trans-165.8125.7164.3-91.90000104.1
299E31.7Very low36.3Very low184 Ų184136 Ų13686%0.8679%0.793SS**  cis67133.530.3-156.6165.1-155.900114.1
300E39.7Very low36.1Very low185 Ų185136.1 Ų136.186%0.86479%0.794SS**  trans56.988.7-172.3-63.8-158.8130.700118.4
301V38.9Very low36Very low121 Ų121136.1 Ų136.173%0.73380%0.796SS**  -144.4145.7125-144.90000110.9
302F37.4Very low35.1Very low188 Ų188132.2 Ų132.283%0.82579%0.793SS**  trans65.582.8168.3-54.4-60.3000118.8
303T39.7Very low34.7Very low146 Ų146134.7 Ų134.790%0.89680%0.799SS**  trans-87.3126.3141-60.30000109
304S34.9Very low35Very low116 Ų116134 Ų13481%0.81179%0.792SS**  trans-144129.1164.9-780000108
305G29.4Very low34.5Very low71 Ų71134 Ų13473%0.73279%0.792SS**  trans-140.4162.1178.800000111.8
306L34.6Very low34.3Very low186 Ų186138.7 Ų138.797%0.97480%0.799SS**  trans-162.1156157.2-107.9165.2000108.9
307A31.8Very low33.9Very low81 Ų81136.9 Ų136.967%0.66980%0.798SS**  trans-100.7162.2-16900000113.2
308N31Very low33.8Very low137 Ų137136.7 Ų136.773%0.73380%0.799SS**  -168.7122129.4-98.2-46.6000114.8
309K30.3Very low33.2Very low189 Ų189135.1 Ų135.182%0.82280%0.8SS**  trans54.2114133.7-60.6174.6-175.6-179.70121.5
310S30.8Very low33Very low109 Ų109137.9 Ų137.976%0.76280%0.803SS**  trans-86.3153.1145.6-168.90000109.6
311P42.5Very low32.5Very low130 Ų130134.3 Ų134.384%0.84480%0.798SS**  -139.3175.384.937.4-21.3000113.1
312G27.1Very low32Very low70 Ų70131.2 Ų131.272%0.72279%0.791SS**  cis-178.2173.6-0.600000111.8
313L30.4Very low31.6Very low164 Ų164129.7 Ų129.786%0.85979%0.791SS**  trans-81.2165.7-178.6-13676.5000112.2
314P39.1Very low31.1Very low107 Ų107128.8 Ų128.870%0.69579%0.786SS**  -156.6155.77741.5-21.2000119.6
315T24.1Very low31Very low109 Ų109127.6 Ų127.667%0.66978%0.783SS**  trans48.2122.7144.262.40000122.5
316K30.6Very low31.2Very low205 Ų205135.6 Ų135.689%0.89179%0.791SS**  -179.5140.299.7-98.4164.3-175.81710113.3
317S27Very low31Very low109 Ų109134.9 Ų134.976%0.76279%0.788SS**  trans-101.7167.2156.6570000109.7
318P39.3Very low31.1Very low129 Ų129142.6 Ų142.684%0.83880%0.8SS**  -140.2168.8101.738.7-26.4000113.9
319A27.5Very low31.1Very low102 Ų102144.7 Ų144.784%0.84381%0.805SS**  trans-105.5164.3-179.600000112.9
320R27.4Very low31.3Very low241 Ų241141.7 Ų141.791%0.90979%0.794SS**  trans-160.2120.8146.2-165.6161.6-175.6-140.4-3.6114.6
321S29.1Very low31.2Very low110 Ų110144.2 Ų144.277%0.76979%0.791SS**  trans41130.9143.9-163.40000120.3
322G27.7Very low30.4Very low57 Ų57142.5 Ų142.559%0.58879%0.788SS**  cis147.5152.81400000112.1
323N29.2Very low30.5Very low155 Ų155143.6 Ų143.683%0.82979%0.791SS**  trans71.5151160.3-49.9-4.7000116.7
324T29.7Very low30.5Very low128 Ų128140.4 Ų140.479%0.78579%0.788SS**  cis-156.5155.57.9-18.50000111.1
325A32.5Very low30.1Very low90 Ų90143.6 Ų143.674%0.74479%0.794SS**  trans56.7146.8151.100000119.9
326R33.1Very low30.3Very low240 Ų240143.3 Ų143.391%0.90679%0.792SS**  cis167.9116.5-22.3-119.2-174.9-179.5170.20.1104.4
327D30.9Very low30.3Very low170 Ų170141.9 Ų141.991%0.90979%0.788SS**  trans-70.5168.4177.6-55.8-80.8000113.6
328R34.1Very low30.4Very low244 Ų244140.5 Ų140.592%0.92178%0.779SS**  trans-146.6104.9173.9-173-178.5-178.7172.40.7113.6
329E31Very low29.9Very low181 Ų181142.2 Ų142.285%0.84678%0.775SS**  trans-120.7166.6151-111.2-174.8145.100106.9
330E33.6Very low30.1Very low125 Ų125145 Ų14558%0.58478%0.776SS**  cis-154.4166.710-150-138.4140.200110.7
331K30Very low30.2Very low162 Ų162137.5 Ų137.570%0.70477%0.765SS**  trans71.3162.5142.9-128.7-178.3-14979.90123.3
332A25.8Very low30.4Very low95 Ų95138.7 Ų138.779%0.78577%0.767SS**  trans78.4136.6159.400000117.7
333A29.1Very low30.7Very low93 Ų93140.9 Ų140.977%0.76977%0.774SS**  cis-160.6170.7-6.100000112
334A30.8Very low31.4Very low97 Ų97139.5 Ų139.580%0.80277%0.774SS**  trans61.8156.8161.100000118.2
335Q29.8Very low31.8Very low174 Ų174139.4 Ų139.481%0.81377%0.773SS**  cis150.9136.4-20.9-122.1-173.1-6.500106.8
336T28.1Very low31.8Very low103 Ų103144 Ų14463%0.63278%0.776SS**  trans87.4125.8146.6-53.50000119.9
337E30.3Very low32Very low174 Ų174135.6 Ų135.681%0.81376%0.758SS**  trans69.4150.7159.3-76.5-179.3-127.600119.8
338S29.2Very low32.5Very low81 Ų81136.3 Ų136.357%0.56676%0.756SS**  cis-158.7152.6-2.9-123.50000113.9
339Q29Very low32.7Very low164 Ų164132.1 Ų132.177%0.76674%0.744SS**  trans64.6148.4148.7-68-169.728.300123.8
340L32.7Very low33.1Very low162 Ų162129.3 Ų129.385%0.84874%0.735SS**  trans61.9140161.9-61.2153.3000116.3
341A28.9Very low33.6Very low82 Ų82129 Ų12968%0.67874%0.742SS**  cis-160.9177.9-15.400000106.3
342T33.6Very low34.6Very low135 Ų135125 Ų12583%0.82874%0.735SS**  cis-154.7160.213.8-35.60000109.7
343S33.6Very low36Very low103 Ų103124.9 Ų124.972%0.7273%0.728SS**  trans-70.6164.516570000112.2
344P42.8Very low37Very low127 Ų127127.6 Ų127.683%0.82573%0.73SS**  cis-141.1165.739.241.2-22.2000119.5
345T39.3Very low37.8Very low125 Ų125131 Ų13177%0.76773%0.734SS**  trans-54145.3170.7-47.20000115.4
346F31.6Very low38.7Very low188 Ų188130.4 Ų130.483%0.82574%0.735SS**  trans-116.9151.8139.1-164.8-100.1000109.8F349F346-F349 HydrophobicContact CE1-CE1 4.4Å
347A39Very low39.9Very low62 Ų62133.3 Ų133.351%0.51274%0.739SS.*  trans-77.7134.7-158.300000114.5F349A347-F349 VanDerWaalsContact O-CD1 3.28Å; A347-F349 WeakPolarHBondContact O-CD1 3.47Å; A347-F349 PolarHBondContact O-N 3.18Å; A347-F349 VanDerWaalsContact O-N 3.08Å
348Q39.7Very low40.9Very low185 Ų185130.6 Ų130.686%0.86473%0.734SS**  trans-72.591.9166.1-179.7-175.7-19.200109.8N350Q348-N350 PolarHBondContact O-N 3.38Å
349F38.3Very low42Very low156 Ų156130.7 Ų130.768%0.68475%0.748SS**  trans-73.1104.9170.438.6-90.5000110F346 A347 T351F346-F349 HydrophobicContact CE1-CE1 4.4Å; A347-F349 VanDerWaalsContact O-CD1 3.28Å; A347-F349 WeakPolarHBondContact O-CD1 3.47Å; A347-F349 PolarHBondContact O-N 3.18Å; A347-F349 VanDerWaalsContact O-N 3.08Å; F349-T351 PolarHBondContact O-N 2.96Å
350N40.2Very low43.1Very low123 Ų123131.5 Ų131.566%0.65875%0.749SS**  trans-74.791177.4-179.19000110.9Q348 S352Q348-N350 PolarHBondContact O-N 3.38Å; N350-S352 PolarHBondContact O-N 2.98Å; N350-S352 WeakPolarHBondContact OD1-CB 3.46Å; N350-S352 PolarHBondContact OD1-N 2.82Å; N350-S352 VanDerWaalsContact OD1-N 3.16Å; N350-S352 PolarHBondContact OD1-OG 3.28Å
351T43.1Very low44.2Very low117 Ų117128.7 Ų128.772%0.71874%0.735SS**  trans-85.747.8171.848.80000112.3F349 S353F349-T351 PolarHBondContact O-N 2.96Å; T351-S353 PolarHBondContact O-N 3.09Å
352S52Low45.4Very low79 Ų79134.5 Ų134.555%0.55275%0.745SS**  trans-62.1130.8165.158.30000110.3N350N350-S352 PolarHBondContact O-N 2.98Å; N350-S352 WeakPolarHBondContact OD1-CB 3.46Å; N350-S352 PolarHBondContact OD1-N 2.82Å; N350-S352 VanDerWaalsContact OD1-N 3.16Å; N350-S352 PolarHBondContact OD1-OG 3.28Å
353S55.6Low46.7Very low93 Ų93134.7 Ų134.765%0.6574%0.741SS**SBendtrans75.2145.6-175.777.70000116.9T351T351-S353 PolarHBondContact O-N 3.09Å
354N50.3Low48Very low150 Ų150137.3 Ų137.380%0.80275%0.746SS**  trans76.129.3170.9-47.8-62.2000118.7L356N354-L356 PolarHBondContact O-N 2.9Å
355L46.8Very low48.3Very low169 Ų169139.2 Ų139.289%0.88575%0.75SS**  trans-69.6114.1147.1-81.4169.7000108.4K357L355-K357 PolarHBondContact O-N 2.81Å
356L49.3Very low48.5Very low160 Ų160148.3 Ų148.384%0.83877%0.77SS**  trans-62.7130.6174.5-73.7163.4000109.3N354 T358N354-L356 PolarHBondContact O-N 2.9Å; L356-T358 VanDerWaalsContact C-N 3.32Å; L356-T358 PolarHBondContact O-N 3.28Å
357K52.2Low49.4Very low165 Ų165146.4 Ų146.472%0.71777%0.768SS**  trans-70.983.6-175.7-168.6-177.3178.980.50110.8L355 D361L355-K357 PolarHBondContact O-N 2.81Å; K357-D361 IonicContact NZ-OD2 2.71Å; K357-D361 PolarHBondContact NZ-OD2 3.48Å
358T51.4Low49.9Very low116 Ų116150.8 Ų150.871%0.71278%0.781SS**  trans-61.6144.2164.850.90000109.2L356 F360L356-T358 VanDerWaalsContact C-N 3.32Å; L356-T358 PolarHBondContact O-N 3.28Å; T358-F360 PolarHBondContact O-N 2.74Å
359G51.8Low50.5Low83 Ų83148.9 Ų148.986%0.85678%0.777SS**SBendtrans-77.160.5-167.600000114.7
360F52.9Low51.2Low182 Ų182148.5 Ų148.580%0.79878%0.782SS**  trans-142.154.4-179-147-92.5000112.1T358T358-F360 PolarHBondContact O-N 2.74Å
361D56.3Low51.9Low102 Ų102150.1 Ų150.155%0.54579%0.79SS.*  trans-141.250.6-169.7-172.425000110.1K357K357-D361 IonicContact NZ-OD2 2.71Å; K357-D361 PolarHBondContact NZ-OD2 3.48Å
362F54.5Low52.5Low204 Ų204152.3 Ų152.390%0.89580%0.795SS**  trans-139.511.4-167.1-104.1-72.9000114.5
363L60.5Low52.5Low140 Ų140157.5 Ų157.573%0.73381%0.812SS**  trans-122.92.3-172.5-67.3175.4000115.2N365L363-N365 VanDerWaalsContact C-N 3.32Å; L363-N365 PolarHBondContact O-N 3.3Å
364D60.9Low52.3Low157 Ų157162.5 Ų162.584%0.8482%0.824SS**SBendtrans-88.415.5-175.4-107.431.6000114.5
365N47.6Very low52.5Low168 Ų168163.5 Ų163.590%0.89883%0.826SS**  trans-142.567.7178.4-81.1-77.1000112.9L363L363-N365 VanDerWaalsContact C-N 3.32Å; L363-N365 PolarHBondContact O-N 3.3Å
366W45.3Very low53Low316 Ų316163 Ų163100%1.19782%0.821SS**  trans-138.40158.1171.1-79.3000109

Retrieved 366 of 366 residues in 62.9 ms (Link to these results)