A0A096LQM2_POEFO Loading...

Ankyrin repeat domain 34Bb

AlphaFold DB , UniProt , Accession A0A096LQM2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 549 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
1M30.7Very low49.7Very low234 Ų234106.6 Ų106.6100%1.15359%0.59SS**  0114.90-72.3164.317200105.4E3M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.26Å; M1-E3 VanDerWaalsContact O-N 3.09Å
2N31.2Very low52.7Low165 Ų16598.2 Ų98.288%0.88254%0.544SS*.  trans-84.688.9-179.8-66.614.9000106.4S4N2-S4 PolarHBondContact O-N 3.4Å
3E33.8Very low55.7Low177 Ų17796.5 Ų96.583%0.82754%0.543SS*.  trans-67.688.1170.2-168.9158.9-157.900106.7M1 T5M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.26Å; M1-E3 VanDerWaalsContact O-N 3.09Å; E3-T5 VanDerWaalsContact C-N 3.31Å; E3-T5 PolarHBondContact O-N 3.49Å
4S43Very low58.3Low88 Ų8889.7 Ų89.762%0.61551%0.505SS*.  trans-60.9101.2171.748.10000106.5N2 E6N2-S4 PolarHBondContact O-N 3.4Å; S4-E6 PolarHBondContact O-N 3.08Å
5T50.4Low60.4Low78 Ų7883.7 Ų83.748%0.47947%0.471SS..  trans-62.685.3170.7400000107.4E3 V7E3-T5 VanDerWaalsContact C-N 3.31Å; E3-T5 PolarHBondContact O-N 3.49Å; T5-V7 PolarHBondContact O-N 3.3Å
6E53.6Low62.3Low154 Ų15484 Ų8472%0.7247%0.466SS*.  trans-60.193.4167.1-71.1-166.3154.600106.1S4 I8S4-E6 PolarHBondContact O-N 3.08Å; E6-I8 PolarHBondContact O-N 2.72Å
7V59.8Low63.9Low14 Ų1479.2 Ų79.29%0.08544%0.439CS..  trans-54.7111.9166.2176.80000104.5T5 M9 Y19 E44 V49T5-V7 PolarHBondContact O-N 3.3Å; V7-M9 HydrophobicContact CB-CG 4.32Å; V7-M9 HydrophobicContact CG1-CE 4.21Å; V7-M9 HydrophobicContact CG1-CG 4.17Å; V7-M9 WeakPolarHBondContact O-CG 3.45Å; V7-M9 PolarHBondContact O-N 2.68Å; V7-M9 VanDerWaalsContact O-N 3.11Å; V7-Y19 HydrophobicContact CB-CD2 4.36Å; V7-Y19 HydrophobicContact CB-CE2 4.29Å; V7-Y19 HydrophobicContact CG2-CD2 4.21Å; V7-Y19 HydrophobicContact CG2-CE2 4.04Å; V7-E44 WeakPolarHBondContact CG1-OE2 3.33Å; V7-V49 HydrophobicContact CG1-CG2 4.36Å
8I58.6Low65.5Low75 Ų7574.8 Ų74.839%0.38542%0.415SS..  trans-73110.9178.9-76160.1000106.4E6 Y42E6-I8 PolarHBondContact O-N 2.72Å; I8-Y42 HydrophobicContact CB-CE2 3.69Å; I8-Y42 WeakPolarHBondContact CD1-OH 3.28Å; I8-Y42 HydrophobicContact CG2-CE2 4.04Å
9M64Low66.7Low20 Ų2073.5 Ų73.510%0.09940%0.404CS..  trans-104.745-164.2-45.2-156.880.700111.8V7 G11 L15 K16 Y19 V49V7-M9 HydrophobicContact CB-CG 4.32Å; V7-M9 HydrophobicContact CG1-CE 4.21Å; V7-M9 HydrophobicContact CG1-CG 4.17Å; V7-M9 WeakPolarHBondContact O-CG 3.45Å; V7-M9 PolarHBondContact O-N 2.68Å; V7-M9 VanDerWaalsContact O-N 3.11Å; M9-G11 PolarHBondContact O-N 3.2Å; M9-L15 HydrophobicContact CE-CB 3.66Å; M9-L15 WeakPolarHBondContact CE-O 3.47Å; M9-K16 HydrophobicContact CB-CD 4.37Å; M9-K16 VanDerWaalsContact CB-CE 3.44Å; M9-K16 HydrophobicContact CB-CG 3.83Å; M9-K16 HydrophobicContact CE-CG 4.2Å; M9-K16 HydrophobicContact CG-CG 4.39Å; M9-K16 WeakPolarHBondContact O-CE 3.32Å; M9-K16 PolarHBondContact O-NZ 2.93Å; M9-K16 HydrophobicContact SD-CB 4.43Å; M9-K16 HydrophobicContact SD-CG 3.74Å; M9-Y19 VanDerWaalsContact CE-CB 3.48Å; M9-Y19 HydrophobicContact CE-CG 4.04Å; M9-Y19 HydrophobicContact SD-CD1 3.85Å; M9-Y19 HydrophobicContact SD-CD2 4.39Å; M9-Y19 HydrophobicContact SD-CG 3.72Å; M9-V49 HydrophobicContact CE-CG1 4.35Å
10D56.5Low67.7Low97 Ų9774.4 Ų74.452%0.51941%0.405SS..  trans-75.1131.9-175-65.6-26.1000110.6S12D10-S12 PolarHBondContact O-N 3.37Å
11G65.5Low68.6Low71 Ų7171.1 Ų71.173%0.73239%0.387SS*.SBendtrans85-68-176.400000116.4M9 S13M9-G11 PolarHBondContact O-N 3.2Å; G11-S13 PolarHBondContact O-N 3.22Å
12S85.8Confident71.5Confident5 Ų567 Ų674%0.03536%0.359CS..  trans-70.7117.1-163.11780000114.4D10 L14 L15 K16 E38D10-S12 PolarHBondContact O-N 3.37Å; S12-L14 PolarHBondContact OG-N 3.38Å; S12-L15 WeakPolarHBondContact OG-CD1 3.25Å; S12-L15 PolarHBondContact OG-N 3.02Å; S12-L15 VanDerWaalsContact OG-N 3.11Å; S12-K16 PolarHBondContact O-N 2.91Å; S12-E38 VanDerWaalsContact CB-OE2 3.24Å; S12-E38 WeakPolarHBondContact CB-OE2 3.19Å; S12-E38 PolarHBondContact OG-OE2 3.42Å
13S90.7Very high74.3Confident76 Ų7660.5 Ų60.553%0.53132%0.324SS..Hα-helixtrans-71.1-31.7172.2-660000112.4G11 A17 L29G11-S13 PolarHBondContact O-N 3.22Å; S13-A17 PolarHBondContact O-N 3.4Å; S13-A17 VanDerWaalsContact O-N 3.1Å; S13-L29 WeakPolarHBondContact O-CD1 3.34Å
14L92.2Very high77.1Confident2 Ų262 Ų621%0.0132%0.322CS..Hα-helixtrans-68.9-45.2179.6-178.262.9000111S12 K16 A17 V18 T26 L29 L30 A34 Y35 P46S12-L14 PolarHBondContact OG-N 3.38Å; L14-K16 VanDerWaalsContact C-N 3.35Å; L14-K16 PolarHBondContact O-N 3.3Å; L14-A17 VanDerWaalsContact O-CB 3.31Å; L14-A17 WeakPolarHBondContact O-CB 3.41Å; L14-A17 PolarHBondContact O-N 2.94Å; L14-V18 WeakPolarHBondContact O-CG2 3.36Å; L14-V18 PolarHBondContact O-N 3.24Å; L14-V18 VanDerWaalsContact O-N 3.11Å; L14-T26 HydrophobicContact CD1-CG2 3.89Å; L14-L29 HydrophobicContact CB-CD1 4.36Å; L14-L29 HydrophobicContact CD1-CB 4.07Å; L14-L29 HydrophobicContact CD1-CD1 4.34Å; L14-L30 HydrophobicContact CD1-CD2 4Å; L14-L30 HydrophobicContact CD1-CG 4.16Å; L14-L30 HydrophobicContact CD2-CD2 3.78Å; L14-A34 HydrophobicContact CB-CB 4.42Å; L14-A34 HydrophobicContact CD2-CB 4.28Å; L14-Y35 WeakPolarHBondContact CD2-O 3.39Å; L14-P46 HydrophobicContact CD2-CB 4.5Å; L14-P46 HydrophobicContact CD2-CG 3.74Å; L14-P46 HydrophobicContact CG-CB 4.41Å; L14-P46 HydrophobicContact CG-CG 4.01Å
15L90.9Very high79.4Confident0 Ų061.2 Ų61.20%031%0.31CS..Hα-helixtrans-59.4-46.6175.4-86.272.5000110.7M9 S12 A17 V18 Y19 E38 N40 P46 V49M9-L15 HydrophobicContact CE-CB 3.66Å; M9-L15 WeakPolarHBondContact CE-O 3.47Å; S12-L15 WeakPolarHBondContact OG-CD1 3.25Å; S12-L15 PolarHBondContact OG-N 3.02Å; S12-L15 VanDerWaalsContact OG-N 3.11Å; L15-A17 VanDerWaalsContact C-N 3.26Å; L15-A17 PolarHBondContact O-N 3.46Å; L15-V18 PolarHBondContact O-N 2.91Å; L15-V18 VanDerWaalsContact O-N 3.07Å; L15-Y19 WeakPolarHBondContact O-CB 3.48Å; L15-Y19 PolarHBondContact O-N 3.48Å; L15-E38 VanDerWaalsContact CD1-O 3.29Å; L15-E38 WeakPolarHBondContact CD1-O 3.45Å; L15-N40 HydrophobicContact CD2-CB 3.63Å; L15-P46 HydrophobicContact CD1-CB 4.46Å; L15-P46 HydrophobicContact CD1-CG 3.73Å; L15-P46 HydrophobicContact CG-CG 4.46Å; L15-V49 HydrophobicContact CD2-CG2 3.97Å; L15-V49 HydrophobicContact CG-CG2 4.12Å
16K89.3Confident81.5Confident88 Ų8857.5 Ų57.538%0.38329%0.287SS..Hα-helixtrans-57-38.3176.8-75.1177.1178.5160.60112.9M9 S12 L14 H20M9-K16 HydrophobicContact CB-CD 4.37Å; M9-K16 VanDerWaalsContact CB-CE 3.44Å; M9-K16 HydrophobicContact CB-CG 3.83Å; M9-K16 HydrophobicContact CE-CG 4.2Å; M9-K16 HydrophobicContact CG-CG 4.39Å; M9-K16 WeakPolarHBondContact O-CE 3.32Å; M9-K16 PolarHBondContact O-NZ 2.93Å; M9-K16 HydrophobicContact SD-CB 4.43Å; M9-K16 HydrophobicContact SD-CG 3.74Å; S12-K16 PolarHBondContact O-N 2.91Å; L14-K16 VanDerWaalsContact C-N 3.35Å; L14-K16 PolarHBondContact O-N 3.3Å; K16-H20 PolarHBondContact O-CD2 3.36Å; K16-H20 VanDerWaalsContact O-CD2 3.23Å; K16-H20 PolarHBondContact O-N 3.14Å
17A90.8Very high83.4Confident2 Ų255.6 Ų55.62%0.01727%0.274CS..Hα-helixtrans-61.6-44.6175.400000112.2S13 L14 L15 S21 R22 L25 L29S13-A17 PolarHBondContact O-N 3.4Å; S13-A17 VanDerWaalsContact O-N 3.1Å; L14-A17 VanDerWaalsContact O-CB 3.31Å; L14-A17 WeakPolarHBondContact O-CB 3.41Å; L14-A17 PolarHBondContact O-N 2.94Å; L15-A17 VanDerWaalsContact C-N 3.26Å; L15-A17 PolarHBondContact O-N 3.46Å; A17-S21 PolarHBondContact O-N 2.92Å; A17-R22 PolarHBondContact O-N 3.46Å; A17-L25 HydrophobicContact CB-CB 4.39Å; A17-L25 HydrophobicContact CB-CD2 3.41Å; A17-L25 VanDerWaalsContact CB-CD2 3.41Å; A17-L25 HydrophobicContact CB-CG 4.47Å; A17-L29 HydrophobicContact CB-CD1 3.87Å
18V91.4Very high85.1Confident0 Ų060 Ų600%030%0.296CS..Hα-helixtrans-75.9-36.7-177.6175.10000112.2L14 L15 H20 S21 T26 P46 A50 M66 L70L14-V18 WeakPolarHBondContact O-CG2 3.36Å; L14-V18 PolarHBondContact O-N 3.24Å; L14-V18 VanDerWaalsContact O-N 3.11Å; L15-V18 PolarHBondContact O-N 2.91Å; L15-V18 VanDerWaalsContact O-N 3.07Å; V18-H20 PolarHBondContact O-N 3.27Å; V18-S21 WeakPolarHBondContact O-CA 3.41Å; V18-S21 PolarHBondContact O-N 3.05Å; V18-S21 PolarHBondContact O-OG 3.5Å; V18-S21 VanDerWaalsContact O-OG 3.14Å; V18-T26 HydrophobicContact CG2-CG2 3.65Å; V18-P46 HydrophobicContact CB-CB 4.47Å; V18-P46 WeakPolarHBondContact CG1-O 3.37Å; V18-P46 HydrophobicContact CG2-CB 4.06Å; V18-A50 HydrophobicContact CG1-CB 3.64Å; V18-M66 HydrophobicContact CG1-CG 4.13Å; V18-M66 HydrophobicContact CG2-SD 4.25Å; V18-L70 HydrophobicContact CG1-CD1 4.06Å; V18-L70 HydrophobicContact CG2-CD1 4.23Å; V18-L70 HydrophobicContact CG2-CD2 4.28Å
19Y88.6Confident86.8Confident51 Ų5158.6 Ų58.620%0.229%0.289CS..Hα-helixtrans-60.5-46.4175179.7-100.7000111.9V7 M9 L15 S21 V49 T53 L55V7-Y19 HydrophobicContact CB-CD2 4.36Å; V7-Y19 HydrophobicContact CB-CE2 4.29Å; V7-Y19 HydrophobicContact CG2-CD2 4.21Å; V7-Y19 HydrophobicContact CG2-CE2 4.04Å; M9-Y19 VanDerWaalsContact CE-CB 3.48Å; M9-Y19 HydrophobicContact CE-CG 4.04Å; M9-Y19 HydrophobicContact SD-CD1 3.85Å; M9-Y19 HydrophobicContact SD-CD2 4.39Å; M9-Y19 HydrophobicContact SD-CG 3.72Å; L15-Y19 WeakPolarHBondContact O-CB 3.48Å; L15-Y19 PolarHBondContact O-N 3.48Å; Y19-S21 PolarHBondContact O-N 2.92Å; Y19-V49 HydrophobicContact CD2-CG1 4.14Å; Y19-V49 HydrophobicContact CG-CG1 4.49Å; Y19-T53 HydrophobicContact CD2-CG2 3.49Å; Y19-T53 VanDerWaalsContact CD2-CG2 3.49Å; Y19-T53 HydrophobicContact CE2-CG2 4.11Å; Y19-T53 HydrophobicContact CG-CG2 4.11Å; Y19-T53 WeakPolarHBondContact O-CG2 3.4Å; Y19-L55 HydrophobicContact CD1-CD1 4.3Å; Y19-L55 HydrophobicContact CE1-CD1 4.05Å; Y19-L55 VanDerWaalsContact O-CD1 3.25Å; Y19-L55 WeakPolarHBondContact O-CD1 3.31Å
20H86.7Confident88.2Confident91 Ų9158.8 Ų58.842%0.42129%0.291SS..THydrogen-bonded Turntrans-75.12.9170.9-63.1-51.6000113.8K16 V18 R22K16-H20 PolarHBondContact O-CD2 3.36Å; K16-H20 VanDerWaalsContact O-CD2 3.23Å; K16-H20 PolarHBondContact O-N 3.14Å; V18-H20 PolarHBondContact O-N 3.27Å; H20-R22 HydrophobicContact CB-CG 3.96Å; H20-R22 PolarHBondContact O-N 3.25Å; H20-R22 VanDerWaalsContact O-N 3.16Å
21S88.1Confident89.9Confident5 Ų560.9 Ų60.94%0.03530%0.297CS..THydrogen-bonded Turntrans47.439.5-177.6-83.70000114.4A17 V18 Y19 L23A17-S21 PolarHBondContact O-N 2.92Å; V18-S21 WeakPolarHBondContact O-CA 3.41Å; V18-S21 PolarHBondContact O-N 3.05Å; V18-S21 PolarHBondContact O-OG 3.5Å; V18-S21 VanDerWaalsContact O-OG 3.14Å; Y19-S21 PolarHBondContact O-N 2.92Å; S21-L23 PolarHBondContact O-N 3.23Å; S21-L23 VanDerWaalsContact O-N 3.17Å
22R90Very high91.3Very high149 Ų14960.7 Ų60.756%0.56230%0.295SS*.  trans-86.878.2179.4-67.7-176177.5-172.31110.4A17 H20 R24 L25 T26A17-R22 PolarHBondContact O-N 3.46Å; H20-R22 HydrophobicContact CB-CG 3.96Å; H20-R22 PolarHBondContact O-N 3.25Å; H20-R22 VanDerWaalsContact O-N 3.16Å; R22-R24 VanDerWaalsContact C-N 3.25Å; R22-R24 PolarHBondContact O-N 2.94Å; R22-R24 VanDerWaalsContact O-N 3.14Å; R22-L25 HydrophobicContact CB-CB 3.9Å; R22-L25 WeakPolarHBondContact O-CA 3.43Å; R22-L25 WeakPolarHBondContact O-CB 3.43Å; R22-L25 PolarHBondContact O-N 2.96Å; R22-T26 PolarHBondContact O-N 2.76Å; R22-T26 PolarHBondContact O-OG1 2.81Å
23L90.7Very high91.5Very high28 Ų2863.6 Ų63.615%0.14733%0.326CS..Hα-helixtrans-53.6-36.4-176.6-176.5142.4000113.9S21 L25 T26 R27 V61 M66 Y69S21-L23 PolarHBondContact O-N 3.23Å; S21-L23 VanDerWaalsContact O-N 3.17Å; L23-L25 PolarHBondContact O-N 3.46Å; L23-T26 PolarHBondContact O-N 2.73Å; L23-R27 HydrophobicContact CD2-CG 4.43Å; L23-R27 VanDerWaalsContact CD2-NE 3.34Å; L23-R27 WeakPolarHBondContact O-CB 3.37Å; L23-R27 WeakPolarHBondContact O-CG 3.37Å; L23-R27 PolarHBondContact O-N 3.41Å; L23-V61 HydrophobicContact CB-CB 4.23Å; L23-V61 HydrophobicContact CB-CG1 4.32Å; L23-V61 HydrophobicContact CB-CG2 3.71Å; L23-V61 HydrophobicContact CD1-CG1 3.88Å; L23-M66 HydrophobicContact CB-CE 3.85Å; L23-Y69 HydrophobicContact CD1-CG 4.43Å
24R92Very high91.6Very high208 Ų20861.6 Ų61.679%0.78531%0.314SS*.Hα-helixtrans-66.8-33.8175.5-171.9174.5-177.8175.31.5113.1R22 L28R22-R24 VanDerWaalsContact C-N 3.25Å; R22-R24 PolarHBondContact O-N 2.94Å; R22-R24 VanDerWaalsContact O-N 3.14Å; R24-L28 WeakPolarHBondContact O-CG 3.49Å; R24-L28 PolarHBondContact O-N 3Å
25L92.1Very high91.6Very high71 Ų7169.1 Ų69.137%0.37234%0.343SS..Hα-helixtrans-76.7-39.8176.6-159.8154.1000110.1A17 R22 L23 R27 L28 L29A17-L25 HydrophobicContact CB-CB 4.39Å; A17-L25 HydrophobicContact CB-CD2 3.41Å; A17-L25 VanDerWaalsContact CB-CD2 3.41Å; A17-L25 HydrophobicContact CB-CG 4.47Å; R22-L25 HydrophobicContact CB-CB 3.9Å; R22-L25 WeakPolarHBondContact O-CA 3.43Å; R22-L25 WeakPolarHBondContact O-CB 3.43Å; R22-L25 PolarHBondContact O-N 2.96Å; L23-L25 PolarHBondContact O-N 3.46Å; L25-R27 PolarHBondContact O-N 3.28Å; L25-L28 PolarHBondContact O-N 2.97Å; L25-L29 HydrophobicContact CD2-CD1 3.57Å; L25-L29 HydrophobicContact CD2-CG 3.99Å; L25-L29 WeakPolarHBondContact O-CG 3.43Å; L25-L29 PolarHBondContact O-N 3.41Å
26T93.3Very high91.7Very high0 Ų070 Ų700%035%0.348CS..Hα-helixtrans-57.9-46173.4-48.70000111.2L14 V18 R22 L23 L29 L30 M66 Y69 L70L14-T26 HydrophobicContact CD1-CG2 3.89Å; V18-T26 HydrophobicContact CG2-CG2 3.65Å; R22-T26 PolarHBondContact O-N 2.76Å; R22-T26 PolarHBondContact O-OG1 2.81Å; L23-T26 PolarHBondContact O-N 2.73Å; T26-L29 PolarHBondContact O-N 3.31Å; T26-L30 HydrophobicContact CG2-CD1 4.5Å; T26-L30 PolarHBondContact O-N 2.98Å; T26-M66 HydrophobicContact CG2-SD 4.14Å; T26-Y69 HydrophobicContact CG2-CD1 4.44Å; T26-Y69 HydrophobicContact CG2-CE1 4.25Å; T26-L70 HydrophobicContact CG2-CD2 4.09Å
27R93.7Very high91.9Very high114 Ų11466.5 Ų66.543%0.4333%0.333SS..Hα-helixtrans-53.5-55.9172.3-82.4175.5179-171.11.5112.5L23 L25 L29 L30 E31 Y69L23-R27 HydrophobicContact CD2-CG 4.43Å; L23-R27 VanDerWaalsContact CD2-NE 3.34Å; L23-R27 WeakPolarHBondContact O-CB 3.37Å; L23-R27 WeakPolarHBondContact O-CG 3.37Å; L23-R27 PolarHBondContact O-N 3.41Å; L25-R27 PolarHBondContact O-N 3.28Å; R27-L29 PolarHBondContact O-N 3.33Å; R27-L30 PolarHBondContact O-N 2.75Å; R27-E31 WeakPolarHBondContact O-CB 3.25Å; R27-E31 VanDerWaalsContact O-CG 3.29Å; R27-E31 WeakPolarHBondContact O-CG 3.38Å; R27-E31 PolarHBondContact O-N 3.49Å; R27-Y69 HydrophobicContact CG-CE1 3.7Å; R27-Y69 HydrophobicContact CG-CE2 3.87Å; R27-Y69 WeakPolarHBondContact CG-OH 3.46Å
28L95.3Very high91.9Very high107 Ų10769.8 Ų69.856%0.5635%0.348SS*.Hα-helixtrans-60.9-31.3-178.7-70.5169.8000113.2R24 L25 G32R24-L28 WeakPolarHBondContact O-CG 3.49Å; R24-L28 PolarHBondContact O-N 3Å; L25-L28 PolarHBondContact O-N 2.97Å; L28-G32 PolarHBondContact O-N 2.9Å
29L94.3Very high91.8Very high46 Ų4673 Ų7324%0.24137%0.371CS..Hα-helixtrans-73.5-44.7175.6-70.6178.1000112.2S13 L14 A17 L25 T26 R27 G32 G33 A34S13-L29 WeakPolarHBondContact O-CD1 3.34Å; L14-L29 HydrophobicContact CB-CD1 4.36Å; L14-L29 HydrophobicContact CD1-CB 4.07Å; L14-L29 HydrophobicContact CD1-CD1 4.34Å; A17-L29 HydrophobicContact CB-CD1 3.87Å; L25-L29 HydrophobicContact CD2-CD1 3.57Å; L25-L29 HydrophobicContact CD2-CG 3.99Å; L25-L29 WeakPolarHBondContact O-CG 3.43Å; L25-L29 PolarHBondContact O-N 3.41Å; T26-L29 PolarHBondContact O-N 3.31Å; R27-L29 PolarHBondContact O-N 3.33Å; L29-G32 CarbonylContact O-C 3.43Å; L29-G32 WeakPolarHBondContact O-CA 3.46Å; L29-G32 PolarHBondContact O-N 3.25Å; L29-G32 VanDerWaalsContact O-N 3.16Å; L29-G33 PolarHBondContact O-N 3.05Å; L29-A34 HydrophobicContact CB-CB 4.06Å; L29-A34 WeakPolarHBondContact O-CB 3.26Å; L29-A34 PolarHBondContact O-N 3.06Å
30L94.1Very high91.9Very high24 Ų2471.1 Ų71.113%0.12636%0.364CS..Hα-helixtrans-66.3-42.5176-66.2-179000111.7L14 T26 R27 G32 G33 I36 Y69 L70 N73L14-L30 HydrophobicContact CD1-CD2 4Å; L14-L30 HydrophobicContact CD1-CG 4.16Å; L14-L30 HydrophobicContact CD2-CD2 3.78Å; T26-L30 HydrophobicContact CG2-CD1 4.5Å; T26-L30 PolarHBondContact O-N 2.98Å; R27-L30 PolarHBondContact O-N 2.75Å; L30-G32 PolarHBondContact O-N 3.49Å; L30-G33 PolarHBondContact O-N 3.32Å; L30-I36 HydrophobicContact CD1-CD1 3.9Å; L30-I36 HydrophobicContact CD1-CG1 4.44Å; L30-I36 HydrophobicContact CD2-CB 3.94Å; L30-I36 HydrophobicContact CD2-CD1 4.21Å; L30-I36 HydrophobicContact CD2-CG1 3.99Å; L30-Y69 HydrophobicContact CD1-CE1 3.8Å; L30-L70 HydrophobicContact CD1-CD2 4.48Å; L30-N73 HydrophobicContact CD1-CB 4.04Å
31E93.6Very high92Very high141 Ų14172.5 Ų72.566%0.65937%0.371SS*.Hα-helixtrans-59.8-32.2170.5-71.7168.6-162.900111.9R27 G33R27-E31 WeakPolarHBondContact O-CB 3.25Å; R27-E31 VanDerWaalsContact O-CG 3.29Å; R27-E31 WeakPolarHBondContact O-CG 3.38Å; R27-E31 PolarHBondContact O-N 3.49Å; E31-G33 PolarHBondContact O-N 2.94Å
32G93.3Very high92Very high67 Ų6777 Ų7769%0.69139%0.388SS*.THydrogen-bonded Turntrans-76.61.4172.800000115.1L28 L29 L30L28-G32 PolarHBondContact O-N 2.9Å; L29-G32 CarbonylContact O-C 3.43Å; L29-G32 WeakPolarHBondContact O-CA 3.46Å; L29-G32 PolarHBondContact O-N 3.25Å; L29-G32 VanDerWaalsContact O-N 3.16Å; L30-G32 PolarHBondContact O-N 3.49Å
33G91.1Very high92Very high66 Ų6670.5 Ų70.568%0.6837%0.368SS*.THydrogen-bonded Turntrans85.218.6178.900000115.3L29 L30 E31 Y35L29-G33 PolarHBondContact O-N 3.05Å; L30-G33 PolarHBondContact O-N 3.32Å; E31-G33 PolarHBondContact O-N 2.94Å; G33-Y35 PolarHBondContact O-N 3.01Å
34A92.8Very high92.1Very high33 Ų3369.8 Ų69.827%0.27336%0.363SS..  trans-61.7134.8170.300000110.7L14 L29 I36L14-A34 HydrophobicContact CB-CB 4.42Å; L14-A34 HydrophobicContact CD2-CB 4.28Å; L29-A34 HydrophobicContact CB-CB 4.06Å; L29-A34 WeakPolarHBondContact O-CB 3.26Å; L29-A34 PolarHBondContact O-N 3.06Å; A34-I36 PolarHBondContact O-N 3.31Å
35Y92.4Very high92.1Very high160 Ų16059.9 Ų59.963%0.62733%0.326SS*.  trans-73.4120.8-178.7-178.2-116.9000110.6L14 G33 N37 E38L14-Y35 WeakPolarHBondContact CD2-O 3.39Å; G33-Y35 PolarHBondContact O-N 3.01Å; Y35-N37 VanDerWaalsContact C-N 3.26Å; Y35-N37 HydrophobicContact CD1-CB 4.36Å; Y35-N37 VanDerWaalsContact CE1-C 3.44Å; Y35-N37 HydrophobicContact CE1-CB 3.64Å; Y35-N37 PolarHBondContact O-N 3.08Å; Y35-E38 HydrophobicContact CD1-CB 4.24Å; Y35-E38 VanDerWaalsContact CD1-N 3.3Å; Y35-E38 VanDerWaalsContact O-CB 3.27Å; Y35-E38 WeakPolarHBondContact O-CB 3.08Å; Y35-E38 PolarHBondContact O-N 3.05Å; Y35-E38 VanDerWaalsContact O-N 3.12Å
36I92.8Very high92.2Very high20 Ų2056.5 Ų56.510%0.10331%0.309CS..THydrogen-bonded Turntrans-68.6-23.9-169.4-163.6162.4000114.3L30 A34 P46 L70 N73 A75L30-I36 HydrophobicContact CD1-CD1 3.9Å; L30-I36 HydrophobicContact CD1-CG1 4.44Å; L30-I36 HydrophobicContact CD2-CB 3.94Å; L30-I36 HydrophobicContact CD2-CD1 4.21Å; L30-I36 HydrophobicContact CD2-CG1 3.99Å; A34-I36 PolarHBondContact O-N 3.31Å; I36-P46 WeakPolarHBondContact O-CD 3.27Å; I36-P46 WeakPolarHBondContact O-CG 3.34Å; I36-L70 HydrophobicContact CD1-CD2 4.33Å; I36-L70 VanDerWaalsContact CD1-O 3.23Å; I36-L70 WeakPolarHBondContact CD1-O 3.4Å; I36-L70 HydrophobicContact CG1-CD2 4.33Å; I36-N73 HydrophobicContact CD1-CB 3.41Å; I36-N73 VanDerWaalsContact CD1-CB 3.41Å; I36-N73 WeakPolarHBondContact CD1-O 3.29Å; I36-A75 HydrophobicContact CD1-CB 3.96Å; I36-A75 HydrophobicContact CG1-CB 3.96Å
37N93.1Very high92.2Very high13 Ų1356.6 Ų56.67%0.0731%0.309CS..THydrogen-bonded Turntrans-103.923.9177-64.7-36.3000111.9Y35 S39 A75 D76 I79Y35-N37 VanDerWaalsContact C-N 3.26Å; Y35-N37 HydrophobicContact CD1-CB 4.36Å; Y35-N37 VanDerWaalsContact CE1-C 3.44Å; Y35-N37 HydrophobicContact CE1-CB 3.64Å; Y35-N37 PolarHBondContact O-N 3.08Å; N37-S39 PolarHBondContact O-N 3.11Å; N37-A75 WeakPolarHBondContact OD1-CA 3.05Å; N37-D76 PolarHBondContact ND2-OD2 3.12Å; N37-D76 PolarHBondContact OD1-N 3.45Å; N37-I79 HydrophobicContact CB-CD1 3.62Å
38E90.3Very high92.2Very high72 Ų7251.1 Ų51.134%0.33629%0.288SS..  trans-60.2127.5172-176.8-178.9-143.700109.6S12 L15 Y35 P46S12-E38 VanDerWaalsContact CB-OE2 3.24Å; S12-E38 WeakPolarHBondContact CB-OE2 3.19Å; S12-E38 PolarHBondContact OG-OE2 3.42Å; L15-E38 VanDerWaalsContact CD1-O 3.29Å; L15-E38 WeakPolarHBondContact CD1-O 3.45Å; Y35-E38 HydrophobicContact CD1-CB 4.24Å; Y35-E38 VanDerWaalsContact CD1-N 3.3Å; Y35-E38 VanDerWaalsContact O-CB 3.27Å; Y35-E38 WeakPolarHBondContact O-CB 3.08Å; Y35-E38 PolarHBondContact O-N 3.05Å; Y35-E38 VanDerWaalsContact O-N 3.12Å; E38-P46 WeakPolarHBondContact O-CD 3.41Å
39S90.6Very high92Very high67 Ų6746 Ų4647%0.46926%0.262SS..  trans-105.9145.6179.654.20000112.2N37 E44N37-S39 PolarHBondContact O-N 3.11Å; S39-E44 VanDerWaalsContact CA-O 3.3Å; S39-E44 WeakPolarHBondContact CA-O 3.13Å
40N90.2Very high91.9Very high12 Ų1243.9 Ų43.96%0.06425%0.251CS..  trans-74.8-176.7169.663.66.9000112.1L15 Y42 G43 E44L15-N40 HydrophobicContact CD2-CB 3.63Å; N40-Y42 PolarHBondContact O-N 3.02Å; N40-Y42 WeakPolarHBondContact OD1-CA 3.33Å; N40-Y42 WeakPolarHBondContact OD1-CB 3.37Å; N40-Y42 PolarHBondContact OD1-N 3.41Å; N40-G43 PolarHBondContact O-N 2.68Å; N40-G43 PolarHBondContact OD1-N 3.27Å; N40-E44 PolarHBondContact N-O 3.26Å; N40-E44 VanDerWaalsContact N-O 3.17Å; N40-E44 PolarHBondContact ND2-OE2 3.07Å; N40-E44 WeakPolarHBondContact OD1-CB 3.42Å; N40-E44 PolarHBondContact OD1-N 3.24Å
41E89Confident91.7Very high120 Ų12042.8 Ų42.856%0.56125%0.245SC*.THydrogen-bonded Turntrans-59.1-9.6172.7-57.2-162.9167.700114.7K82E41-K82 WeakPolarHBondContact O-CD 3.31Å; E41-K82 WeakPolarHBondContact O-CE 3.41Å; E41-K82 PolarHBondContact O-NZ 3.14Å
42Y87.6Confident91.3Very high98 Ų9837.5 Ų37.538%0.38422%0.22SC..THydrogen-bonded Turntrans-100.4-1.2175.6-59.8-91.3000112.4I8 N40 E44 K82I8-Y42 HydrophobicContact CB-CE2 3.69Å; I8-Y42 WeakPolarHBondContact CD1-OH 3.28Å; I8-Y42 HydrophobicContact CG2-CE2 4.04Å; N40-Y42 PolarHBondContact O-N 3.02Å; N40-Y42 WeakPolarHBondContact OD1-CA 3.33Å; N40-Y42 WeakPolarHBondContact OD1-CB 3.37Å; N40-Y42 PolarHBondContact OD1-N 3.41Å; Y42-E44 VanDerWaalsContact C-N 3.26Å; Y42-K82 VanDerWaalsContact O-CB 3.31Å; Y42-K82 WeakPolarHBondContact O-CB 3.4Å; Y42-K82 WeakPolarHBondContact O-CG 3.35Å; Y42-K82 PolarHBondContact O-N 2.8Å
43G90.3Very high90.9Very high14 Ų1434.5 Ų34.514%0.14419%0.188CC..  trans79.76.5-173.700000113.6N40N40-G43 PolarHBondContact O-N 2.68Å; N40-G43 PolarHBondContact OD1-N 3.27Å
44E91.5Very high90Very high12 Ų1237.4 Ų37.46%0.05618%0.184CC..  trans-80.1125.3-174.7-56174.1145.700110.9V7 S39 N40 Y42 M48 V49 K52 D81V7-E44 WeakPolarHBondContact CG1-OE2 3.33Å; S39-E44 VanDerWaalsContact CA-O 3.3Å; S39-E44 WeakPolarHBondContact CA-O 3.13Å; N40-E44 PolarHBondContact N-O 3.26Å; N40-E44 VanDerWaalsContact N-O 3.17Å; N40-E44 PolarHBondContact ND2-OE2 3.07Å; N40-E44 WeakPolarHBondContact OD1-CB 3.42Å; N40-E44 PolarHBondContact OD1-N 3.24Å; Y42-E44 VanDerWaalsContact C-N 3.26Å; E44-M48 HydrophobicContact CB-CB 4.41Å; E44-M48 HydrophobicContact CB-SD 4.28Å; E44-V49 HydrophobicContact CB-CG2 4.29Å; E44-K52 IonicContact OE1-NZ 3.37Å; E44-K52 PolarHBondContact OE1-NZ 2.95Å; E44-K52 IonicContact OE2-NZ 2.59Å; E44-D81 HydrophobicContact CG-CB 4.24Å
45T93.6Very high88.8Confident1 Ų138.7 Ų38.71%0.00619%0.186CC..  trans-82.3165.9174.866.80000111.1L47 M48 V49 I79T45-L47 PolarHBondContact O-N 3.03Å; T45-M48 HydrophobicContact CG2-CE 4.37Å; T45-M48 WeakPolarHBondContact O-CB 3.34Å; T45-M48 PolarHBondContact O-N 3.32Å; T45-M48 PolarHBondContact OG1-N 3.13Å; T45-V49 WeakPolarHBondContact O-CG2 3.23Å; T45-V49 PolarHBondContact O-N 3.35Å; T45-I79 HydrophobicContact CG2-CB 3.96Å; T45-I79 HydrophobicContact CG2-CD1 3.87Å; T45-I79 HydrophobicContact CG2-CG2 3.55Å
46P93.2Very high87.4Confident0 Ų037.2 Ų37.20%019%0.194CC..Hα-helixtrans-59.5-32.1177.1-18.832.2000111.7L14 L15 V18 I36 E38 V49 A50 L70L14-P46 HydrophobicContact CD2-CB 4.5Å; L14-P46 HydrophobicContact CD2-CG 3.74Å; L14-P46 HydrophobicContact CG-CB 4.41Å; L14-P46 HydrophobicContact CG-CG 4.01Å; L15-P46 HydrophobicContact CD1-CB 4.46Å; L15-P46 HydrophobicContact CD1-CG 3.73Å; L15-P46 HydrophobicContact CG-CG 4.46Å; V18-P46 HydrophobicContact CB-CB 4.47Å; V18-P46 WeakPolarHBondContact CG1-O 3.37Å; V18-P46 HydrophobicContact CG2-CB 4.06Å; I36-P46 WeakPolarHBondContact O-CD 3.27Å; I36-P46 WeakPolarHBondContact O-CG 3.34Å; E38-P46 WeakPolarHBondContact O-CD 3.41Å; P46-V49 PolarHBondContact O-N 3.13Å; P46-A50 WeakPolarHBondContact O-CB 3.49Å; P46-A50 PolarHBondContact O-N 2.96Å; P46-L70 HydrophobicContact CB-CD1 4.31Å; P46-L70 HydrophobicContact CB-CD2 4.37Å
47L94.4Very high86.1Confident1 Ų140.6 Ų40.61%0.00521%0.212CC..Hα-helixtrans-64.9-41176-17368.1000112.3T45 A50 C51 V67 L70 L71 A75 P77 A87 L104T45-L47 PolarHBondContact O-N 3.03Å; L47-A50 PolarHBondContact O-N 3.21Å; L47-C51 PolarHBondContact O-N 3.32Å; L47-C51 PolarHBondContact O-SG 3Å; L47-V67 HydrophobicContact CD1-CG1 4.01Å; L47-L70 HydrophobicContact CD1-CB 4.17Å; L47-L71 HydrophobicContact CD1-CD2 3.85Å; L47-L71 HydrophobicContact CD1-CG 3.95Å; L47-L71 HydrophobicContact CD2-CD2 3.7Å; L47-L71 HydrophobicContact CG-CD2 4.45Å; L47-A75 HydrophobicContact CB-CB 4.31Å; L47-A75 HydrophobicContact CD2-CB 4.28Å; L47-P77 HydrophobicContact CD2-CB 4.03Å; L47-A87 HydrophobicContact CD2-CB 3.98Å; L47-A87 HydrophobicContact CG-CB 3.94Å; L47-L104 HydrophobicContact CD1-CD2 4.18Å; L47-L104 HydrophobicContact CD2-CD2 3.98Å; L47-L104 HydrophobicContact CG-CD2 4.21Å
48M93.1Very high84.4Confident0 Ų046.2 Ų46.20%025%0.249CC..Hα-helixtrans-65.2-45.9172.9-63.3174.6-172.200111.1E44 T45 A50 C51 K52 I79 D81 K85 A87E44-M48 HydrophobicContact CB-CB 4.41Å; E44-M48 HydrophobicContact CB-SD 4.28Å; T45-M48 HydrophobicContact CG2-CE 4.37Å; T45-M48 WeakPolarHBondContact O-CB 3.34Å; T45-M48 PolarHBondContact O-N 3.32Å; T45-M48 PolarHBondContact OG1-N 3.13Å; M48-A50 VanDerWaalsContact C-N 3.3Å; M48-A50 PolarHBondContact O-N 2.85Å; M48-C51 WeakPolarHBondContact O-CB 2.99Å; M48-C51 PolarHBondContact O-N 3.37Å; M48-K52 WeakPolarHBondContact O-CG 3.11Å; M48-K52 PolarHBondContact O-N 2.7Å; M48-I79 VanDerWaalsContact CE-C 3.48Å; M48-I79 HydrophobicContact CE-CB 4.3Å; M48-I79 HydrophobicContact CE-CG2 4.12Å; M48-I79 WeakPolarHBondContact CE-O 3.12Å; M48-D81 HydrophobicContact CE-CB 4.45Å; M48-D81 HydrophobicContact SD-CB 3.95Å; M48-K85 WeakPolarHBondContact CE-O 3.32Å; M48-A87 HydrophobicContact CG-CB 4.05Å
49V91.2Very high83Confident0 Ų051.7 Ų51.70%028%0.275CS..Hα-helixtrans-58.5-42.2177.4175.30000111V7 M9 L15 Y19 E44 T45 P46 C51 K52 T53V7-V49 HydrophobicContact CG1-CG2 4.36Å; M9-V49 HydrophobicContact CE-CG1 4.35Å; L15-V49 HydrophobicContact CD2-CG2 3.97Å; L15-V49 HydrophobicContact CG-CG2 4.12Å; Y19-V49 HydrophobicContact CD2-CG1 4.14Å; Y19-V49 HydrophobicContact CG-CG1 4.49Å; E44-V49 HydrophobicContact CB-CG2 4.29Å; T45-V49 WeakPolarHBondContact O-CG2 3.23Å; T45-V49 PolarHBondContact O-N 3.35Å; P46-V49 PolarHBondContact O-N 3.13Å; V49-C51 VanDerWaalsContact C-N 3.32Å; V49-C51 PolarHBondContact O-N 3.05Å; V49-K52 PolarHBondContact O-N 3.02Å; V49-T53 HydrophobicContact CG1-CG2 4.17Å; V49-T53 WeakPolarHBondContact O-CG2 3.23Å; V49-T53 PolarHBondContact O-N 3.43Å
50A90.9Very high82.1Confident1 Ų150.1 Ų50.11%0.00826%0.262CS..Hα-helixtrans-57.6-43.4174.400000112.2V18 P46 L47 M48 T53 M66 V67 L70V18-A50 HydrophobicContact CG1-CB 3.64Å; P46-A50 WeakPolarHBondContact O-CB 3.49Å; P46-A50 PolarHBondContact O-N 2.96Å; L47-A50 PolarHBondContact O-N 3.21Å; M48-A50 VanDerWaalsContact C-N 3.3Å; M48-A50 PolarHBondContact O-N 2.85Å; A50-T53 PolarHBondContact O-OG1 3.03Å; A50-M66 HydrophobicContact CB-CG 4.2Å; A50-V67 HydrophobicContact CB-CG2 3.95Å; A50-L70 HydrophobicContact CB-CD1 4.02Å
51C89.9Confident81.5Confident1 Ų151.4 Ų51.41%0.00727%0.271CS..Hα-helixtrans-67.6-40.2177.6-61.90000112.3L47 M48 V49 H90L47-C51 PolarHBondContact O-N 3.32Å; L47-C51 PolarHBondContact O-SG 3Å; M48-C51 WeakPolarHBondContact O-CB 2.99Å; M48-C51 PolarHBondContact O-N 3.37Å; V49-C51 VanDerWaalsContact C-N 3.32Å; V49-C51 PolarHBondContact O-N 3.05Å; C51-H90 HydrophobicContact CB-CB 4.44Å
52K86.7Confident81.3Confident29 Ų2948.9 Ų48.913%0.12627%0.265CS..Hα-helixtrans-69.2-32.7179.4-70.2-179.272.9-1690114.1E44 M48 V49 Q54 H90E44-K52 IonicContact OE1-NZ 3.37Å; E44-K52 PolarHBondContact OE1-NZ 2.95Å; E44-K52 IonicContact OE2-NZ 2.59Å; M48-K52 WeakPolarHBondContact O-CG 3.11Å; M48-K52 PolarHBondContact O-N 2.7Å; V49-K52 PolarHBondContact O-N 3.02Å; K52-Q54 PolarHBondContact O-N 3.46Å; K52-H90 HydrophobicContact CG-CB 4.08Å
53T83.8Confident81.2Confident5 Ų546 Ų463%0.03125%0.254CS..  trans-64.8127.7-174.860.20000112.2Y19 V49 A50 K63Y19-T53 HydrophobicContact CD2-CG2 3.49Å; Y19-T53 VanDerWaalsContact CD2-CG2 3.49Å; Y19-T53 HydrophobicContact CE2-CG2 4.11Å; Y19-T53 HydrophobicContact CG-CG2 4.11Å; Y19-T53 WeakPolarHBondContact O-CG2 3.4Å; V49-T53 HydrophobicContact CG1-CG2 4.17Å; V49-T53 WeakPolarHBondContact O-CG2 3.23Å; V49-T53 PolarHBondContact O-N 3.43Å; A50-T53 PolarHBondContact O-OG1 3.03Å; T53-K63 WeakPolarHBondContact O-CE 3.42Å; T53-K63 PolarHBondContact O-NZ 2.87Å
54Q72.3Confident81.1Confident127 Ų12745.8 Ų45.859%0.59325%0.25SS*.  trans-100.211.1172.3-58.8-171.111.900113K52 T56 E94K52-Q54 PolarHBondContact O-N 3.46Å; Q54-T56 PolarHBondContact O-N 3.31Å; Q54-E94 PolarHBondContact NE2-OE2 3.47Å
55L68Low81.1Confident60 Ų6051.5 Ų51.531%0.31428%0.275SS..  trans-70.192.7-172.2-78161.5000113.2Y19 N57Y19-L55 HydrophobicContact CD1-CD1 4.3Å; Y19-L55 HydrophobicContact CE1-CD1 4.05Å; Y19-L55 VanDerWaalsContact O-CD1 3.25Å; Y19-L55 WeakPolarHBondContact O-CD1 3.31Å; L55-N57 PolarHBondContact O-N 3.05Å
56T62.7Low81Confident129 Ų12951.4 Ų51.479%0.79128%0.275SS*.  trans-96.857177.846.40000112.7Q54Q54-T56 PolarHBondContact O-N 3.31Å
57N65.4Low81Confident91 Ų9151.4 Ų51.449%0.48728%0.275SS..  trans-79.5147.2172.3-68.2-48.7000111.3L55 Q59 T60L55-N57 PolarHBondContact O-N 3.05Å; N57-Q59 PolarHBondContact O-N 3.2Å; N57-Q59 VanDerWaalsContact O-N 3.07Å; N57-T60 WeakPolarHBondContact O-CB 3.46Å; N57-T60 PolarHBondContact O-N 2.95Å
58P57.6Low81Confident131 Ų13157.4 Ų57.485%0.85130%0.297SS*.THydrogen-bonded Turntrans-66.4-12.2-179.827-36000114.5
59Q60.7Low81.1Confident186 Ų18658.4 Ų58.487%0.86930%0.301SS*.THydrogen-bonded Turntrans-99.32.1175.2-66.4-67.1-32.800112.8N57N57-Q59 PolarHBondContact O-N 3.2Å; N57-Q59 VanDerWaalsContact O-N 3.07Å
60T71.8Confident81.2Confident34 Ų3458.4 Ų58.421%0.20930%0.301CS..SBendtrans-97.9142.8-175.9-70.50000110.8N57N57-T60 WeakPolarHBondContact O-CB 3.46Å; N57-T60 PolarHBondContact O-N 2.95Å
61V78.3Confident81.4Confident40 Ų4059.6 Ų59.624%0.24231%0.307CS..PPolyproline II helixtrans-70.4136.5175172.20000109.5L23 K63 K65L23-V61 HydrophobicContact CB-CB 4.23Å; L23-V61 HydrophobicContact CB-CG1 4.32Å; L23-V61 HydrophobicContact CB-CG2 3.71Å; L23-V61 HydrophobicContact CD1-CG1 3.88Å; V61-K63 PolarHBondContact O-N 3.49Å; V61-K65 HydrophobicContact CG1-CB 3.61Å; V61-K65 HydrophobicContact CG1-CD 4.46Å
62P84Confident81.6Confident67 Ų6765.2 Ų65.244%0.43533%0.333SS..PPolyproline II helixtrans-60.3138.6178.325.5-35.7000111.3P64 K65 M66P62-P64 VanDerWaalsContact C-CD 3.48Å; P62-P64 HydrophobicContact CB-CG 4.5Å; P62-K65 HydrophobicContact CG-CB 4.31Å; P62-K65 HydrophobicContact CG-CD 3.74Å; P62-K65 HydrophobicContact CG-CG 3.98Å; P62-K65 PolarHBondContact O-N 3.45Å; P62-M66 PolarHBondContact O-N 3.13Å
63K85.4Confident81.9Confident36 Ų3667.5 Ų67.516%0.15735%0.347CS..Hα-helixtrans-42.3-50.6-176.8-52.2-168.6-162-169.70114.6T53 V61 K65 M66 V67 V100T53-K63 WeakPolarHBondContact O-CE 3.42Å; T53-K63 PolarHBondContact O-NZ 2.87Å; V61-K63 PolarHBondContact O-N 3.49Å; K63-K65 VanDerWaalsContact C-N 3.26Å; K63-K65 PolarHBondContact O-N 3.3Å; K63-M66 PolarHBondContact O-N 3.46Å; K63-V67 PolarHBondContact O-N 3.4Å; K63-V100 HydrophobicContact CB-CG2 4.4Å
64P89.4Confident82.3Confident11 Ų1169.3 Ų69.37%0.07137%0.367CS..Hα-helixtrans-58.9-32.8-179.121-34.2000113.6P62 R68 E99 V100 L103P62-P64 VanDerWaalsContact C-CD 3.48Å; P62-P64 HydrophobicContact CB-CG 4.5Å; P64-R68 WeakPolarHBondContact O-CB 3.35Å; P64-R68 PolarHBondContact O-N 3Å; P64-E99 HydrophobicContact CB-CB 4.48Å; P64-E99 HydrophobicContact CB-CG 4.02Å; P64-V100 HydrophobicContact CB-CG2 4.14Å; P64-L103 HydrophobicContact CB-CD1 3.96Å
65K91.3Very high83.4Confident131 Ų13163.5 Ų63.557%0.5734%0.341SS*.Hα-helixtrans-71.3-32176.1-68.7-175.4-172.4176.80112.7V61 P62 K63 Y69V61-K65 HydrophobicContact CG1-CB 3.61Å; V61-K65 HydrophobicContact CG1-CD 4.46Å; P62-K65 HydrophobicContact CG-CB 4.31Å; P62-K65 HydrophobicContact CG-CD 3.74Å; P62-K65 HydrophobicContact CG-CG 3.98Å; P62-K65 PolarHBondContact O-N 3.45Å; K63-K65 VanDerWaalsContact C-N 3.26Å; K63-K65 PolarHBondContact O-N 3.3Å; K65-Y69 VanDerWaalsContact O-CB 3.31Å; K65-Y69 WeakPolarHBondContact O-CB 3.46Å; K65-Y69 PolarHBondContact O-N 3.48Å; K65-Y69 VanDerWaalsContact O-N 3.17Å
66M91.3Very high84.7Confident0 Ų064.8 Ų64.80%035%0.348CS..Hα-helixtrans-71.9-47.7173.2-177.562.776.300110.9V18 L23 T26 A50 P62 K63 Y69 L70V18-M66 HydrophobicContact CG1-CG 4.13Å; V18-M66 HydrophobicContact CG2-SD 4.25Å; L23-M66 HydrophobicContact CB-CE 3.85Å; T26-M66 HydrophobicContact CG2-SD 4.14Å; A50-M66 HydrophobicContact CB-CG 4.2Å; P62-M66 PolarHBondContact O-N 3.13Å; K63-M66 PolarHBondContact O-N 3.46Å; M66-Y69 PolarHBondContact O-N 3.31Å; M66-L70 HydrophobicContact CG-CD1 4.24Å; M66-L70 WeakPolarHBondContact O-CG 3.37Å; M66-L70 PolarHBondContact O-N 3.25Å
67V93.4Very high86.2Confident0 Ų059 Ų590%031%0.313CS..Hα-helixtrans-59.4-50.8178.2170.70000110.6L47 A50 K63 Y69 L70 L71 V100 L104L47-V67 HydrophobicContact CD1-CG1 4.01Å; A50-V67 HydrophobicContact CB-CG2 3.95Å; K63-V67 PolarHBondContact O-N 3.4Å; V67-Y69 VanDerWaalsContact C-N 3.31Å; V67-Y69 PolarHBondContact O-N 2.73Å; V67-L70 PolarHBondContact O-N 3.48Å; V67-L70 VanDerWaalsContact O-N 3.15Å; V67-L71 HydrophobicContact CG1-CD1 3.72Å; V67-L71 HydrophobicContact CG1-CG 4.34Å; V67-L71 WeakPolarHBondContact O-CG 3.37Å; V67-L71 PolarHBondContact O-N 2.7Å; V67-V100 HydrophobicContact CG1-CG1 4.3Å; V67-V100 HydrophobicContact CG2-CG1 4.1Å; V67-L104 HydrophobicContact CG1-CD2 4.35Å; V67-L104 HydrophobicContact CG1-CG 4.41Å
68R94.1Very high87.5Confident126 Ų12657.5 Ų57.548%0.47530%0.304SS..Hα-helixtrans-51.9-48.6173.2171.4178.2-88.9-88.94.4111.7P64 L70 L71 E72 L103P64-R68 WeakPolarHBondContact O-CB 3.35Å; P64-R68 PolarHBondContact O-N 3Å; R68-L70 PolarHBondContact O-N 3.33Å; R68-L71 PolarHBondContact O-N 3.05Å; R68-E72 VanDerWaalsContact CD-OE1 3.27Å; R68-E72 WeakPolarHBondContact CD-OE1 3.44Å; R68-E72 VanDerWaalsContact CG-CD 3.47Å; R68-E72 HydrophobicContact CG-CG 4.16Å; R68-E72 WeakPolarHBondContact CG-OE1 3.5Å; R68-E72 IonicContact CZ-OE1 2.73Å; R68-E72 IonicContact NE-OE1 2.75Å; R68-E72 IonicContact NH1-OE1 3.69Å; R68-E72 PolarHBondContact NH1-OE1 2.96Å; R68-E72 WeakPolarHBondContact O-CB 3.46Å; R68-E72 VanDerWaalsContact O-CG 3.26Å; R68-E72 WeakPolarHBondContact O-CG 2.96Å; R68-E72 PolarHBondContact O-N 3.26Å; R68-L103 HydrophobicContact CB-CD1 4.16Å; R68-L103 HydrophobicContact CB-CD2 4.39Å
69Y94.3Very high89.3Confident22 Ų2253.7 Ų53.79%0.08628%0.276CS..Hα-helixtrans-63.5-38.7-179.2179.7-105.6000112.4L23 T26 R27 L30 K65 M66 V67 N73L23-Y69 HydrophobicContact CD1-CG 4.43Å; T26-Y69 HydrophobicContact CG2-CD1 4.44Å; T26-Y69 HydrophobicContact CG2-CE1 4.25Å; R27-Y69 HydrophobicContact CG-CE1 3.7Å; R27-Y69 HydrophobicContact CG-CE2 3.87Å; R27-Y69 WeakPolarHBondContact CG-OH 3.46Å; L30-Y69 HydrophobicContact CD1-CE1 3.8Å; K65-Y69 VanDerWaalsContact O-CB 3.31Å; K65-Y69 WeakPolarHBondContact O-CB 3.46Å; K65-Y69 PolarHBondContact O-N 3.48Å; K65-Y69 VanDerWaalsContact O-N 3.17Å; M66-Y69 PolarHBondContact O-N 3.31Å; V67-Y69 VanDerWaalsContact C-N 3.31Å; V67-Y69 PolarHBondContact O-N 2.73Å; Y69-N73 WeakPolarHBondContact CE2-ND2 3.34Å; Y69-N73 PolarHBondContact O-N 2.84Å; Y69-N73 PolarHBondContact O-ND2 3.18Å
70L94Very high90.9Very high0 Ų048.5 Ų48.50%025%0.252CS..Hα-helixtrans-66.2-44.8175.3-68.6170.6000111.6V18 T26 L30 I36 P46 L47 A50 M66 V67 R68 N73 G74 A75V18-L70 HydrophobicContact CG1-CD1 4.06Å; V18-L70 HydrophobicContact CG2-CD1 4.23Å; V18-L70 HydrophobicContact CG2-CD2 4.28Å; T26-L70 HydrophobicContact CG2-CD2 4.09Å; L30-L70 HydrophobicContact CD1-CD2 4.48Å; I36-L70 HydrophobicContact CD1-CD2 4.33Å; I36-L70 VanDerWaalsContact CD1-O 3.23Å; I36-L70 WeakPolarHBondContact CD1-O 3.4Å; I36-L70 HydrophobicContact CG1-CD2 4.33Å; P46-L70 HydrophobicContact CB-CD1 4.31Å; P46-L70 HydrophobicContact CB-CD2 4.37Å; L47-L70 HydrophobicContact CD1-CB 4.17Å; A50-L70 HydrophobicContact CB-CD1 4.02Å; M66-L70 HydrophobicContact CG-CD1 4.24Å; M66-L70 WeakPolarHBondContact O-CG 3.37Å; M66-L70 PolarHBondContact O-N 3.25Å; V67-L70 PolarHBondContact O-N 3.48Å; V67-L70 VanDerWaalsContact O-N 3.15Å; R68-L70 PolarHBondContact O-N 3.33Å; L70-N73 PolarHBondContact O-N 3.28Å; L70-N73 VanDerWaalsContact O-N 3.17Å; L70-G74 PolarHBondContact O-N 3.45Å; L70-A75 HydrophobicContact CB-CB 4.01Å; L70-A75 VanDerWaalsContact O-CB 3.23Å; L70-A75 WeakPolarHBondContact O-CB 3.37Å; L70-A75 PolarHBondContact O-N 3.26Å; L70-A75 VanDerWaalsContact O-N 3.08Å
71L94.9Very high91.9Very high26 Ų2647.4 Ų47.414%0.13625%0.245CC..Hα-helixtrans-63.7-41.8177.6-65171.2000112.2L47 V67 R68 N73 G74 L103 L104 S107L47-L71 HydrophobicContact CD1-CD2 3.85Å; L47-L71 HydrophobicContact CD1-CG 3.95Å; L47-L71 HydrophobicContact CD2-CD2 3.7Å; L47-L71 HydrophobicContact CG-CD2 4.45Å; V67-L71 HydrophobicContact CG1-CD1 3.72Å; V67-L71 HydrophobicContact CG1-CG 4.34Å; V67-L71 WeakPolarHBondContact O-CG 3.37Å; V67-L71 PolarHBondContact O-N 2.7Å; R68-L71 PolarHBondContact O-N 3.05Å; L71-N73 PolarHBondContact O-N 2.7Å; L71-G74 PolarHBondContact O-N 2.97Å; L71-L103 HydrophobicContact CD1-CB 4.29Å; L71-L104 HydrophobicContact CD1-CD2 4.27Å; L71-L104 HydrophobicContact CD2-CD2 4.38Å; L71-S107 WeakPolarHBondContact CD2-OG 3.39Å
72E94Very high92.7Very high119 Ų11952.5 Ų52.556%0.55626%0.264SS*.Hα-helixtrans-61.7-22.3175.1-76.3170.6179.700113.2R68R68-E72 VanDerWaalsContact CD-OE1 3.27Å; R68-E72 WeakPolarHBondContact CD-OE1 3.44Å; R68-E72 VanDerWaalsContact CG-CD 3.47Å; R68-E72 HydrophobicContact CG-CG 4.16Å; R68-E72 WeakPolarHBondContact CG-OE1 3.5Å; R68-E72 IonicContact CZ-OE1 2.73Å; R68-E72 IonicContact NE-OE1 2.75Å; R68-E72 IonicContact NH1-OE1 3.69Å; R68-E72 PolarHBondContact NH1-OE1 2.96Å; R68-E72 WeakPolarHBondContact O-CB 3.46Å; R68-E72 VanDerWaalsContact O-CG 3.26Å; R68-E72 WeakPolarHBondContact O-CG 2.96Å; R68-E72 PolarHBondContact O-N 3.26Å
73N93.3Very high93Very high76 Ų7652.6 Ų52.641%0.40626%0.263SS..THydrogen-bonded Turntrans-97.911.6174.8-72.1-92.1000113.3L30 I36 Y69 L70 L71L30-N73 HydrophobicContact CD1-CB 4.04Å; I36-N73 HydrophobicContact CD1-CB 3.41Å; I36-N73 VanDerWaalsContact CD1-CB 3.41Å; I36-N73 WeakPolarHBondContact CD1-O 3.29Å; Y69-N73 WeakPolarHBondContact CE2-ND2 3.34Å; Y69-N73 PolarHBondContact O-N 2.84Å; Y69-N73 PolarHBondContact O-ND2 3.18Å; L70-N73 PolarHBondContact O-N 3.28Å; L70-N73 VanDerWaalsContact O-N 3.17Å; L71-N73 PolarHBondContact O-N 2.7Å
74G92Very high93.3Very high44 Ų4450.9 Ų50.945%0.45426%0.256SS..THydrogen-bonded Turntrans84.130.7175.200000115.1L70 L71L70-G74 PolarHBondContact O-N 3.45Å; L71-G74 PolarHBondContact O-N 2.97Å
75A95.1Very high93.5Very high5 Ų552.4 Ų52.44%0.04126%0.261CS..  trans-68129.8167.500000110.6I36 N37 L47 L70 P77I36-A75 HydrophobicContact CD1-CB 3.96Å; I36-A75 HydrophobicContact CG1-CB 3.96Å; N37-A75 WeakPolarHBondContact OD1-CA 3.05Å; L47-A75 HydrophobicContact CB-CB 4.31Å; L47-A75 HydrophobicContact CD2-CB 4.28Å; L70-A75 HydrophobicContact CB-CB 4.01Å; L70-A75 VanDerWaalsContact O-CB 3.23Å; L70-A75 WeakPolarHBondContact O-CB 3.37Å; L70-A75 PolarHBondContact O-N 3.26Å; L70-A75 VanDerWaalsContact O-N 3.08Å; A75-P77 WeakPolarHBondContact O-CD 3.34Å
76D94.9Very high93.7Very high87 Ų8746.2 Ų46.247%0.46524%0.235SC..  trans-85.4117.1-177.3-72.5-50.3000111.3N37 N78 I79N37-D76 PolarHBondContact ND2-OD2 3.12Å; N37-D76 PolarHBondContact OD1-N 3.45Å; D76-N78 VanDerWaalsContact C-N 3.27Å; D76-N78 PolarHBondContact O-N 2.77Å; D76-I79 HydrophobicContact CB-CD1 3.76Å; D76-I79 HydrophobicContact CB-CG1 3.85Å
77P94.5Very high93.8Very high8 Ų846.3 Ų46.35%0.05224%0.235CC..THydrogen-bonded Turntrans-74.3-16.4-177.431-36.9000114.3L47 A75 L104 A109L47-P77 HydrophobicContact CD2-CB 4.03Å; A75-P77 WeakPolarHBondContact O-CD 3.34Å; P77-L104 HydrophobicContact CB-CD2 4.14Å; P77-A109 HydrophobicContact CB-CB 3.84Å; P77-A109 HydrophobicContact CG-CB 4.14Å
78N94.3Very high93.8Very high59 Ų5946.3 Ų46.332%0.31624%0.235SC..THydrogen-bonded Turntrans-94.4-0.3-173.8-66.8-32.9000114D76 G108 A109 D110 L113D76-N78 VanDerWaalsContact C-N 3.27Å; D76-N78 PolarHBondContact O-N 2.77Å; N78-G108 PolarHBondContact ND2-O 2.95Å; N78-G108 VanDerWaalsContact ND2-O 3.14Å; N78-A109 WeakPolarHBondContact OD1-CA 3.21Å; N78-D110 PolarHBondContact OD1-N 2.99Å; N78-L113 HydrophobicContact CB-CD1 4.03Å
79I94.4Very high93.8Very high51 Ų5140.4 Ų40.426%0.26221%0.213SC..  trans-61.8144.1170-64172.7000108.7N37 T45 M48 D76 T86N37-I79 HydrophobicContact CB-CD1 3.62Å; T45-I79 HydrophobicContact CG2-CB 3.96Å; T45-I79 HydrophobicContact CG2-CD1 3.87Å; T45-I79 HydrophobicContact CG2-CG2 3.55Å; M48-I79 VanDerWaalsContact CE-C 3.48Å; M48-I79 HydrophobicContact CE-CB 4.3Å; M48-I79 HydrophobicContact CE-CG2 4.12Å; M48-I79 WeakPolarHBondContact CE-O 3.12Å; D76-I79 HydrophobicContact CB-CD1 3.76Å; D76-I79 HydrophobicContact CB-CG1 3.85Å; I79-T86 WeakPolarHBondContact O-CA 2.92Å
80Q94.4Very high93.6Very high77 Ų7739.9 Ų39.936%0.3621%0.211SC..BIsolated β-bridgetrans-111.6141177.1-69.8-179.5-58.500110.6G84 K85 T86 E114Q80-G84 WeakPolarHBondContact CG-O 3.43Å; Q80-G84 PolarHBondContact NE2-O 2.85Å; Q80-K85 WeakPolarHBondContact CA-O 3.47Å; Q80-T86 HydrophobicContact CG-CG2 3.79Å; Q80-E114 PolarHBondContact NE2-O 3.42Å
81D93.4Very high93.5Very high11 Ų1139.9 Ų39.96%0.05921%0.211CC..  trans-75.5-178.8171.171.219.4000112.1E44 M48 T83 G84 K85 H90E44-D81 HydrophobicContact CG-CB 4.24Å; M48-D81 HydrophobicContact CE-CB 4.45Å; M48-D81 HydrophobicContact SD-CB 3.95Å; D81-T83 PolarHBondContact O-N 3.35Å; D81-T83 VanDerWaalsContact O-N 3.08Å; D81-T83 VanDerWaalsContact OD1-CA 3.24Å; D81-T83 WeakPolarHBondContact OD1-CA 3.47Å; D81-T83 WeakPolarHBondContact OD1-CB 3.41Å; D81-T83 PolarHBondContact OD1-N 2.74Å; D81-T83 PolarHBondContact OD1-OG1 3.31Å; D81-T83 PolarHBondContact OD2-OG1 3.2Å; D81-G84 PolarHBondContact O-N 2.98Å; D81-G84 PolarHBondContact OD1-N 3.17Å; D81-G84 VanDerWaalsContact OD1-N 3.11Å; D81-K85 PolarHBondContact N-O 2.96Å; D81-K85 PolarHBondContact OD1-N 3.08Å; D81-H90 IonicContact OD2-CD2 2.77Å; D81-H90 IonicContact OD2-CE1 2.74Å; D81-H90 PolarHBondContact OD2-CE1 3.1Å; D81-H90 IonicContact OD2-NE2 3.94Å; D81-H90 PolarHBondContact OD2-NE2 3.06Å
82K93.4Very high93.3Very high146 Ų14638.7 Ų38.764%0.63521%0.205SC*.THydrogen-bonded Turntrans-62.1-14.7178-76.4-174.8176.2178.60114.5E41 Y42 H116E41-K82 WeakPolarHBondContact O-CD 3.31Å; E41-K82 WeakPolarHBondContact O-CE 3.41Å; E41-K82 PolarHBondContact O-NZ 3.14Å; Y42-K82 VanDerWaalsContact O-CB 3.31Å; Y42-K82 WeakPolarHBondContact O-CB 3.4Å; Y42-K82 WeakPolarHBondContact O-CG 3.35Å; Y42-K82 PolarHBondContact O-N 2.8Å; K82-H116 PolarHBondContact O-CE1 3.02Å; K82-H116 PolarHBondContact O-ND1 3.02Å
83T91.4Very high93Very high69 Ų6936.3 Ų36.342%0.42320%0.196SC..THydrogen-bonded Turntrans-95.5-0.217369.70000113.1D81 K85 H116D81-T83 PolarHBondContact O-N 3.35Å; D81-T83 VanDerWaalsContact O-N 3.08Å; D81-T83 VanDerWaalsContact OD1-CA 3.24Å; D81-T83 WeakPolarHBondContact OD1-CA 3.47Å; D81-T83 WeakPolarHBondContact OD1-CB 3.41Å; D81-T83 PolarHBondContact OD1-N 2.74Å; D81-T83 PolarHBondContact OD1-OG1 3.31Å; D81-T83 PolarHBondContact OD2-OG1 3.2Å; T83-K85 WeakPolarHBondContact OG1-CD 3.45Å; T83-K85 WeakPolarHBondContact OG1-CE 3.32Å; T83-K85 WeakPolarHBondContact OG1-CG 3.48Å; T83-H116 VanDerWaalsContact C-ND1 3.28Å; T83-H116 WeakPolarHBondContact O-CB 3.18Å; T83-H116 PolarHBondContact O-N 2.9Å
84G92.4Very high92.8Very high0 Ų034.8 Ų34.80%019%0.186CC..SBendtrans86.56.4-176.800000113.4Q80 D81 D115 H116Q80-G84 WeakPolarHBondContact CG-O 3.43Å; Q80-G84 PolarHBondContact NE2-O 2.85Å; D81-G84 PolarHBondContact O-N 2.98Å; D81-G84 PolarHBondContact OD1-N 3.17Å; D81-G84 VanDerWaalsContact OD1-N 3.11Å; G84-D115 WeakPolarHBondContact O-CA 3.39Å; G84-H116 PolarHBondContact N-CE1 3.06Å; G84-H116 PolarHBondContact N-ND1 3.36Å
85K93.3Very high92.4Very high43 Ų4338 Ų3819%0.18719%0.189CC..  trans-88.1135.3-172.1-63176.4-167.4-166.70112.2M48 Q80 D81 T83 M89 L93 D115 Y124M48-K85 WeakPolarHBondContact CE-O 3.32Å; Q80-K85 WeakPolarHBondContact CA-O 3.47Å; D81-K85 PolarHBondContact N-O 2.96Å; D81-K85 PolarHBondContact OD1-N 3.08Å; T83-K85 WeakPolarHBondContact OG1-CD 3.45Å; T83-K85 WeakPolarHBondContact OG1-CE 3.32Å; T83-K85 WeakPolarHBondContact OG1-CG 3.48Å; K85-M89 VanDerWaalsContact CA-SD 3.58Å; K85-M89 HydrophobicContact CB-CB 4.23Å; K85-M89 HydrophobicContact CB-SD 4.05Å; K85-M89 HydrophobicContact CG-SD 4.13Å; K85-L93 HydrophobicContact CD-CD1 4.08Å; K85-D115 HydrophobicContact CG-CB 3.88Å; K85-Y124 WeakPolarHBondContact CE-OH 3.5Å; K85-Y124 PolarHBondContact NZ-OH 3.03Å
86T94.3Very high91.9Very high2 Ų237.9 Ų37.91%0.01219%0.189CC..BIsolated β-bridgetrans-88.8166.8174.864.40000111.7I79 Q80 L88 M89 H90 L113I79-T86 WeakPolarHBondContact O-CA 2.92Å; Q80-T86 HydrophobicContact CG-CG2 3.79Å; T86-L88 PolarHBondContact O-N 3.21Å; T86-M89 HydrophobicContact CG2-CE 4.47Å; T86-M89 PolarHBondContact O-N 3.2Å; T86-M89 VanDerWaalsContact O-N 3.1Å; T86-M89 PolarHBondContact OG1-N 3.38Å; T86-H90 PolarHBondContact O-CD2 3.31Å; T86-H90 PolarHBondContact O-N 3.2Å; T86-H90 VanDerWaalsContact O-N 3.09Å; T86-L113 HydrophobicContact CG2-CB 4.16Å; T86-L113 HydrophobicContact CG2-CD1 3.72Å
87A94Very high91.5Very high1 Ų137.8 Ų37.81%0.00819%0.188CC..Hα-helixtrans-55.2-34.9173.400000112.4L47 M48 H90 S91 L104L47-A87 HydrophobicContact CD2-CB 3.98Å; L47-A87 HydrophobicContact CG-CB 3.94Å; M48-A87 HydrophobicContact CG-CB 4.05Å; A87-H90 PolarHBondContact O-N 3.17Å; A87-S91 PolarHBondContact O-N 3.33Å; A87-L104 HydrophobicContact CB-CD2 4.19Å
88L93.7Very high91.2Very high1 Ų140 Ų401%0.00520%0.202CC..Hα-helixtrans-69-41.3177.5-158.3156000111.8T86 H90 S91 C92 L101 L104 L105 A109 A121 L137T86-L88 PolarHBondContact O-N 3.21Å; L88-H90 PolarHBondContact O-N 2.97Å; L88-S91 PolarHBondContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 2.96Å; L88-C92 PolarHBondContact O-N 2.95Å; L88-L101 HydrophobicContact CD2-CD2 4.12Å; L88-L101 HydrophobicContact CG-CD2 4.36Å; L88-L104 HydrophobicContact CB-CD1 4.43Å; L88-L104 HydrophobicContact CD1-CB 4.41Å; L88-L105 HydrophobicContact CD1-CD2 3.56Å; L88-L105 HydrophobicContact CD1-CG 3.78Å; L88-A109 HydrophobicContact CB-CB 4.45Å; L88-A109 HydrophobicContact CD1-CB 3.57Å; L88-A121 HydrophobicContact CD2-CB 3.36Å; L88-L137 HydrophobicContact CD1-CD1 4.45Å; L88-L137 HydrophobicContact CD2-CD1 3.77Å
89M92.9Very high91Very high1 Ų142.1 Ų42.11%0.00521%0.21CC..Hα-helixtrans-61.5-43.3174-65.8173.7-172.600112.3K85 T86 S91 C92 L93 L113 D115 A121 Y124K85-M89 VanDerWaalsContact CA-SD 3.58Å; K85-M89 HydrophobicContact CB-CB 4.23Å; K85-M89 HydrophobicContact CB-SD 4.05Å; K85-M89 HydrophobicContact CG-SD 4.13Å; T86-M89 HydrophobicContact CG2-CE 4.47Å; T86-M89 PolarHBondContact O-N 3.2Å; T86-M89 VanDerWaalsContact O-N 3.1Å; T86-M89 PolarHBondContact OG1-N 3.38Å; M89-S91 VanDerWaalsContact C-N 3.32Å; M89-S91 PolarHBondContact O-N 3.17Å; M89-C92 PolarHBondContact O-N 3.22Å; M89-L93 PolarHBondContact O-N 2.89Å; M89-L113 VanDerWaalsContact CE-C 3.46Å; M89-L113 HydrophobicContact CE-CB 4.25Å; M89-L113 WeakPolarHBondContact CE-O 3.29Å; M89-D115 HydrophobicContact CE-CB 4.45Å; M89-D115 HydrophobicContact SD-CB 4Å; M89-A121 HydrophobicContact CG-CB 3.79Å; M89-Y124 HydrophobicContact CB-CD2 4.15Å; M89-Y124 HydrophobicContact CB-CE2 4.38Å; M89-Y124 HydrophobicContact CG-CD2 4.16Å; M89-Y124 HydrophobicContact CG-CE2 4.4Å; M89-Y124 HydrophobicContact SD-CE2 4.31Å
90H91.6Very high90.9Very high12 Ų1239.7 Ų39.76%0.05620%0.198CC..Hα-helixtrans-60.4-40.5173.5-76.7-66.7000111.7C51 K52 D81 T86 A87 L88 C92 L93 E94C51-H90 HydrophobicContact CB-CB 4.44Å; K52-H90 HydrophobicContact CG-CB 4.08Å; D81-H90 IonicContact OD2-CD2 2.77Å; D81-H90 IonicContact OD2-CE1 2.74Å; D81-H90 PolarHBondContact OD2-CE1 3.1Å; D81-H90 IonicContact OD2-NE2 3.94Å; D81-H90 PolarHBondContact OD2-NE2 3.06Å; T86-H90 PolarHBondContact O-CD2 3.31Å; T86-H90 PolarHBondContact O-N 3.2Å; T86-H90 VanDerWaalsContact O-N 3.09Å; A87-H90 PolarHBondContact O-N 3.17Å; L88-H90 PolarHBondContact O-N 2.97Å; H90-C92 VanDerWaalsContact C-N 3.33Å; H90-C92 PolarHBondContact O-N 3.47Å; H90-L93 PolarHBondContact O-N 3.48Å; H90-E94 WeakPolarHBondContact O-CB 3.49Å; H90-E94 WeakPolarHBondContact O-CG 3.34Å; H90-E94 PolarHBondContact O-N 3.09Å
91S90.9Very high90.8Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-63.2-3517680.20000113.4A87 L88 M89 Q95 A96 L101A87-S91 PolarHBondContact O-N 3.33Å; L88-S91 PolarHBondContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 2.96Å; M89-S91 VanDerWaalsContact C-N 3.32Å; M89-S91 PolarHBondContact O-N 3.17Å; S91-Q95 PolarHBondContact O-N 2.67Å; S91-A96 WeakPolarHBondContact O-CB 3.33Å; S91-A96 PolarHBondContact O-N 3.32Å; S91-L101 WeakPolarHBondContact OG-CD2 3.38Å
92C90.6Very high90.8Very high0 Ų037.5 Ų37.50%019%0.192CC..Hα-helixtrans-70.2-42.5173.3-690000112.5L88 M89 H90 Q95 A121L88-C92 PolarHBondContact O-N 2.95Å; M89-C92 PolarHBondContact O-N 3.22Å; H90-C92 VanDerWaalsContact C-N 3.33Å; H90-C92 PolarHBondContact O-N 3.47Å; C92-Q95 PolarHBondContact O-N 3.02Å; C92-A121 PolarHBondContact SG-O 3.49Å
93L89.1Confident90.8Very high69 Ų6931.4 Ų31.436%0.36117%0.166SC..Hα-helixtrans-61.9-48179.1-84.8165.8000112.1K85 M89 H90 Q95 Y124K85-L93 HydrophobicContact CD-CD1 4.08Å; M89-L93 PolarHBondContact O-N 2.89Å; H90-L93 PolarHBondContact O-N 3.48Å; L93-Q95 PolarHBondContact O-N 3.39Å; L93-Y124 HydrophobicContact CD1-CD1 4.1Å; L93-Y124 HydrophobicContact CD1-CE1 3.93Å; L93-Y124 HydrophobicContact CD2-CD1 3.41Å; L93-Y124 VanDerWaalsContact CD2-CD1 3.41Å; L93-Y124 HydrophobicContact CD2-CE1 3.59Å; L93-Y124 HydrophobicContact CD2-CG 4.39Å; L93-Y124 HydrophobicContact CG-CD1 3.59Å; L93-Y124 HydrophobicContact CG-CE1 3.9Å; L93-Y124 HydrophobicContact CG-CG 4.13Å
94E87.8Confident90.9Very high44 Ų4428.1 Ų28.121%0.20615%0.146CC..THydrogen-bonded Turntrans-85.98.6-174.4-62.3-76.1173.200112.7Q54 H90 A96Q54-E94 PolarHBondContact NE2-OE2 3.47Å; H90-E94 WeakPolarHBondContact O-CB 3.49Å; H90-E94 WeakPolarHBondContact O-CG 3.34Å; H90-E94 PolarHBondContact O-N 3.09Å; E94-A96 VanDerWaalsContact C-N 3.27Å; E94-A96 PolarHBondContact O-N 2.93Å
95Q84.6Confident90.9Very high111 Ų11129 Ų2952%0.51915%0.151SC..THydrogen-bonded Turntrans5144.8178.9-50.5-168.210.500112.7S91 C92 L93 N130 I133S91-Q95 PolarHBondContact O-N 2.67Å; C92-Q95 PolarHBondContact O-N 3.02Å; L93-Q95 PolarHBondContact O-N 3.39Å; Q95-N130 WeakPolarHBondContact CG-ND2 3.25Å; Q95-N130 PolarHBondContact OE1-ND2 3.49Å; Q95-I133 HydrophobicContact CB-CD1 4.5Å
96A84.4Confident90.8Very high4 Ų433.3 Ų33.33%0.03318%0.176CC..  trans-61.5156.8-178.500000112.1S91 E94 V100S91-A96 WeakPolarHBondContact O-CB 3.33Å; S91-A96 PolarHBondContact O-N 3.32Å; E94-A96 VanDerWaalsContact C-N 3.27Å; E94-A96 PolarHBondContact O-N 2.93Å; A96-V100 HydrophobicContact CB-CB 4.32Å; A96-V100 HydrophobicContact CB-CG1 4.35Å
97D86.3Confident90.6Very high84 Ų8435.5 Ų35.545%0.44919%0.191SC..  trans-54.6141177.9-60.1-64.2000111E99 V100 L101D97-E99 PolarHBondContact O-N 2.98Å; D97-V100 HydrophobicContact CB-CG2 4.42Å; D97-V100 WeakPolarHBondContact O-CB 3.19Å; D97-V100 PolarHBondContact O-N 3.28Å; D97-L101 PolarHBondContact O-N 3.41Å
98P87.9Confident90.4Very high54 Ų5437 Ų3735%0.35121%0.207SC..Hα-helixtrans-59.8-23.7-179.424.4-34.2000113V100 L101 S102 V136P98-V100 VanDerWaalsContact C-N 3.34Å; P98-L101 PolarHBondContact O-N 3.46Å; P98-S102 PolarHBondContact O-N 3Å; P98-S102 PolarHBondContact O-OG 3.48Å; P98-V136 HydrophobicContact CB-CG2 4.25Å
99E90.8Very high90.4Very high104 Ų10437 Ų3749%0.48621%0.207SC..Hα-helixtrans-62.5-36.6171.4-170.5-172.5168.300112.5P64 D97 S102 L103P64-E99 HydrophobicContact CB-CB 4.48Å; P64-E99 HydrophobicContact CB-CG 4.02Å; D97-E99 PolarHBondContact O-N 2.98Å; E99-S102 WeakPolarHBondContact CA-OG 3.34Å; E99-S102 PolarHBondContact O-OG 2.77Å; E99-L103 HydrophobicContact CG-CD1 4.27Å; E99-L103 WeakPolarHBondContact O-CB 3.39Å; E99-L103 WeakPolarHBondContact O-CD1 3.48Å; E99-L103 WeakPolarHBondContact O-CG 3.49Å; E99-L103 PolarHBondContact O-N 3.32Å
100V91.9Very high90.1Very high1 Ų139.7 Ų39.71%0.00622%0.221CC..Hα-helixtrans-67.3-40.2176.1174.40000110.3K63 P64 V67 A96 D97 P98 L103 L104K63-V100 HydrophobicContact CB-CG2 4.4Å; P64-V100 HydrophobicContact CB-CG2 4.14Å; V67-V100 HydrophobicContact CG1-CG1 4.3Å; V67-V100 HydrophobicContact CG2-CG1 4.1Å; A96-V100 HydrophobicContact CB-CB 4.32Å; A96-V100 HydrophobicContact CB-CG1 4.35Å; D97-V100 HydrophobicContact CB-CG2 4.42Å; D97-V100 WeakPolarHBondContact O-CB 3.19Å; D97-V100 PolarHBondContact O-N 3.28Å; P98-V100 VanDerWaalsContact C-N 3.34Å; V100-L103 PolarHBondContact O-N 3.48Å; V100-L104 HydrophobicContact CG1-CD1 4.12Å; V100-L104 VanDerWaalsContact O-CG 3.31Å; V100-L104 WeakPolarHBondContact O-CG 3.07Å; V100-L104 PolarHBondContact O-N 3.39Å
101L92.3Very high89.9Confident0 Ų039.2 Ų39.20%022%0.219CC..Hα-helixtrans-65.8-44.5176.4-75.7129.8000112.1L88 S91 D97 P98 L104 L105 I133 V136L88-L101 HydrophobicContact CD2-CD2 4.12Å; L88-L101 HydrophobicContact CG-CD2 4.36Å; S91-L101 WeakPolarHBondContact OG-CD2 3.38Å; D97-L101 PolarHBondContact O-N 3.41Å; P98-L101 PolarHBondContact O-N 3.46Å; L101-L104 PolarHBondContact O-N 2.77Å; L101-L105 WeakPolarHBondContact O-CB 3.43Å; L101-L105 WeakPolarHBondContact O-CD1 3.33Å; L101-L105 VanDerWaalsContact O-CG 3.25Å; L101-L105 WeakPolarHBondContact O-CG 3.44Å; L101-L105 PolarHBondContact O-N 2.82Å; L101-I133 HydrophobicContact CD1-CB 4.07Å; L101-I133 HydrophobicContact CD1-CD1 4.15Å; L101-I133 HydrophobicContact CD1-CG1 3.69Å; L101-I133 HydrophobicContact CD1-CG2 3.61Å; L101-I133 HydrophobicContact CD2-CG2 3.84Å; L101-I133 HydrophobicContact CG-CG2 4.39Å; L101-V136 HydrophobicContact CB-CG1 4.26Å
102S92.3Very high89.5Confident41 Ų4140.3 Ų40.329%0.28723%0.228SC..Hα-helixtrans-62-46.2175.457.30000111.3P98 E99 L104 L105 D106P98-S102 PolarHBondContact O-N 3Å; P98-S102 PolarHBondContact O-OG 3.48Å; E99-S102 WeakPolarHBondContact CA-OG 3.34Å; E99-S102 PolarHBondContact O-OG 2.77Å; S102-L104 VanDerWaalsContact C-N 3.32Å; S102-L104 PolarHBondContact O-N 3.23Å; S102-L105 PolarHBondContact O-N 2.84Å; S102-L105 VanDerWaalsContact O-N 3.13Å; S102-D106 WeakPolarHBondContact O-CB 3.41Å; S102-D106 PolarHBondContact O-N 3.24Å
103L93.8Very high89.4Confident19 Ų1942.7 Ų42.710%0.09924%0.241CC..Hα-helixtrans-57-42.4176.6-73167.4000112.8P64 R68 L71 E99 V100 S107P64-L103 HydrophobicContact CB-CD1 3.96Å; R68-L103 HydrophobicContact CB-CD1 4.16Å; R68-L103 HydrophobicContact CB-CD2 4.39Å; L71-L103 HydrophobicContact CD1-CB 4.29Å; E99-L103 HydrophobicContact CG-CD1 4.27Å; E99-L103 WeakPolarHBondContact O-CB 3.39Å; E99-L103 WeakPolarHBondContact O-CD1 3.48Å; E99-L103 WeakPolarHBondContact O-CG 3.49Å; E99-L103 PolarHBondContact O-N 3.32Å; V100-L103 PolarHBondContact O-N 3.48Å; L103-S107 WeakPolarHBondContact O-CB 3.15Å; L103-S107 PolarHBondContact O-N 3.44Å; L103-S107 PolarHBondContact O-OG 2.91Å
104L93.3Very high89.4Confident0 Ų043.8 Ų43.80%024%0.244CC..Hα-helixtrans-64.6-46.2175.7-72.9168.5000111.4L47 V67 L71 P77 A87 L88 V100 L101 S102 S107 G108 A109L47-L104 HydrophobicContact CD1-CD2 4.18Å; L47-L104 HydrophobicContact CD2-CD2 3.98Å; L47-L104 HydrophobicContact CG-CD2 4.21Å; V67-L104 HydrophobicContact CG1-CD2 4.35Å; V67-L104 HydrophobicContact CG1-CG 4.41Å; L71-L104 HydrophobicContact CD1-CD2 4.27Å; L71-L104 HydrophobicContact CD2-CD2 4.38Å; P77-L104 HydrophobicContact CB-CD2 4.14Å; A87-L104 HydrophobicContact CB-CD2 4.19Å; L88-L104 HydrophobicContact CB-CD1 4.43Å; L88-L104 HydrophobicContact CD1-CB 4.41Å; V100-L104 HydrophobicContact CG1-CD1 4.12Å; V100-L104 VanDerWaalsContact O-CG 3.31Å; V100-L104 WeakPolarHBondContact O-CG 3.07Å; V100-L104 PolarHBondContact O-N 3.39Å; L101-L104 PolarHBondContact O-N 2.77Å; S102-L104 VanDerWaalsContact C-N 3.32Å; S102-L104 PolarHBondContact O-N 3.23Å; L104-S107 WeakPolarHBondContact CA-OG 3.27Å; L104-S107 PolarHBondContact O-N 2.94Å; L104-S107 PolarHBondContact O-OG 2.78Å; L104-G108 PolarHBondContact O-N 2.94Å; L104-A109 HydrophobicContact CB-CB 4.11Å; L104-A109 WeakPolarHBondContact O-CB 3.2Å; L104-A109 PolarHBondContact O-N 3.24Å
105L92Very high89.5Confident19 Ų1942.2 Ų42.210%0.09924%0.237CC..Hα-helixtrans-64.3-42.6179.9-71.9162000112.2L88 L101 S102 S107 G108 V136 L137 A140L88-L105 HydrophobicContact CD1-CD2 3.56Å; L88-L105 HydrophobicContact CD1-CG 3.78Å; L101-L105 WeakPolarHBondContact O-CB 3.43Å; L101-L105 WeakPolarHBondContact O-CD1 3.33Å; L101-L105 VanDerWaalsContact O-CG 3.25Å; L101-L105 WeakPolarHBondContact O-CG 3.44Å; L101-L105 PolarHBondContact O-N 2.82Å; S102-L105 PolarHBondContact O-N 2.84Å; S102-L105 VanDerWaalsContact O-N 3.13Å; L105-S107 VanDerWaalsContact C-N 3.28Å; L105-S107 PolarHBondContact O-N 3.21Å; L105-G108 PolarHBondContact O-N 2.98Å; L105-V136 HydrophobicContact CD1-CG1 3.92Å; L105-L137 HydrophobicContact CD1-CD1 4.29Å; L105-L137 HydrophobicContact CD2-CD1 4.24Å; L105-A140 HydrophobicContact CB-CB 4.49Å; L105-A140 HydrophobicContact CD1-CB 3.67Å; L105-A140 HydrophobicContact CD2-CB 3.84Å; L105-A140 HydrophobicContact CG-CB 4.2Å
106D91.8Very high89.9Confident132 Ų13243.7 Ų43.771%0.70624%0.244SC*.Hα-helixtrans-62.1-35.3174.9-65.4-22.7000111.5S102 G108S102-D106 WeakPolarHBondContact O-CB 3.41Å; S102-D106 PolarHBondContact O-N 3.24Å; D106-G108 PolarHBondContact O-N 3.01Å
107S91.5Very high89.9Confident48 Ų4847.1 Ų47.134%0.33627%0.272SS..THydrogen-bonded Turntrans-75.95.1173.573.30000114.8L71 L103 L104 L105L71-S107 WeakPolarHBondContact CD2-OG 3.39Å; L103-S107 WeakPolarHBondContact O-CB 3.15Å; L103-S107 PolarHBondContact O-N 3.44Å; L103-S107 PolarHBondContact O-OG 2.91Å; L104-S107 WeakPolarHBondContact CA-OG 3.27Å; L104-S107 PolarHBondContact O-N 2.94Å; L104-S107 PolarHBondContact O-OG 2.78Å; L105-S107 VanDerWaalsContact C-N 3.28Å; L105-S107 PolarHBondContact O-N 3.21Å
108G89.3Confident89.9Confident34 Ų3445 Ų4535%0.35127%0.27SS..THydrogen-bonded Turntrans92.115.4175.800000115.4N78 L104 L105 D106 D110N78-G108 PolarHBondContact ND2-O 2.95Å; N78-G108 VanDerWaalsContact ND2-O 3.14Å; L104-G108 PolarHBondContact O-N 2.94Å; L105-G108 PolarHBondContact O-N 2.98Å; D106-G108 PolarHBondContact O-N 3.01Å; G108-D110 PolarHBondContact O-N 3.18Å
109A92.4Very high89.8Confident0 Ų044.8 Ų44.80%027%0.266CS..  trans-57.3133.4174.700000111.9P77 N78 L88 L104 P111 K144P77-A109 HydrophobicContact CB-CB 3.84Å; P77-A109 HydrophobicContact CG-CB 4.14Å; N78-A109 WeakPolarHBondContact OD1-CA 3.21Å; L88-A109 HydrophobicContact CB-CB 4.45Å; L88-A109 HydrophobicContact CD1-CB 3.57Å; L104-A109 HydrophobicContact CB-CB 4.11Å; L104-A109 WeakPolarHBondContact O-CB 3.2Å; L104-A109 PolarHBondContact O-N 3.24Å; A109-P111 WeakPolarHBondContact O-CD 3.37Å; A109-K144 PolarHBondContact O-NZ 2.65Å
110D88Confident89.6Confident57 Ų5739.9 Ų39.931%0.30524%0.243SC..  trans-95.9108.7-178.6-89.8-36.7000112.4N78 G108 A112 L113 K144N78-D110 PolarHBondContact OD1-N 2.99Å; G108-D110 PolarHBondContact O-N 3.18Å; D110-A112 PolarHBondContact O-N 2.9Å; D110-L113 HydrophobicContact CB-CD1 4.03Å; D110-L113 HydrophobicContact CB-CG 4.05Å; D110-L113 PolarHBondContact O-N 3.04Å; D110-K144 IonicContact OD1-NZ 2.68Å; D110-K144 PolarHBondContact OD1-NZ 3.26Å
111P86.3Confident89.5Confident2 Ų239.9 Ų39.91%0.01324%0.243CC..THydrogen-bonded Turntrans-71.7-13-179.732.1-37.8000112.8A109 S120 L137 C141 K144A109-P111 WeakPolarHBondContact O-CD 3.37Å; P111-S120 PolarHBondContact O-OG 2.53Å; P111-L137 HydrophobicContact CB-CD1 3.67Å; P111-L137 HydrophobicContact CB-CG 4.43Å; P111-C141 VanDerWaalsContact CG-SG 3.58Å; P111-K144 HydrophobicContact CG-CD 4.47Å
112A83.6Confident89.2Confident23 Ų2339.9 Ų39.919%0.1924%0.243CC..THydrogen-bonded Turntrans-87.4-2.2179.400000113.8D110 K146 L167D110-A112 PolarHBondContact O-N 2.9Å; A112-K146 HydrophobicContact CB-CD 4.04Å; A112-K146 VanDerWaalsContact CB-NZ 3.33Å; A112-L167 HydrophobicContact CB-CD2 4.01Å
113L87.3Confident88.9Confident51 Ų5138 Ų3827%0.26723%0.23SC..  trans-66.3144.6168-71168.3000109.3N78 T86 M89 D110 S120N78-L113 HydrophobicContact CB-CD1 4.03Å; T86-L113 HydrophobicContact CG2-CB 4.16Å; T86-L113 HydrophobicContact CG2-CD1 3.72Å; M89-L113 VanDerWaalsContact CE-C 3.46Å; M89-L113 HydrophobicContact CE-CB 4.25Å; M89-L113 WeakPolarHBondContact CE-O 3.29Å; D110-L113 HydrophobicContact CB-CD1 4.03Å; D110-L113 HydrophobicContact CB-CG 4.05Å; D110-L113 PolarHBondContact O-N 3.04Å; L113-S120 WeakPolarHBondContact O-CA 3.37Å
114E89.3Confident88.6Confident92 Ų9238 Ų3843%0.4323%0.228SC..BIsolated β-bridgetrans-119144.9178.2-68.7176.8-173.900108.9Q80Q80-E114 PolarHBondContact NE2-O 3.42Å
115D90.9Very high88.4Confident11 Ų1138 Ų386%0.05923%0.228CC..  trans-80-179.7174.573.36.8000112.3G84 K85 M89 A117 G118 L119 Y124G84-D115 WeakPolarHBondContact O-CA 3.39Å; K85-D115 HydrophobicContact CG-CB 3.88Å; M89-D115 HydrophobicContact CE-CB 4.45Å; M89-D115 HydrophobicContact SD-CB 4Å; D115-A117 PolarHBondContact O-N 3.21Å; D115-A117 WeakPolarHBondContact OD1-CA 3.36Å; D115-A117 WeakPolarHBondContact OD1-CB 3.41Å; D115-A117 PolarHBondContact OD1-N 3.48Å; D115-G118 PolarHBondContact O-N 3.18Å; D115-G118 PolarHBondContact OD1-N 2.86Å; D115-L119 PolarHBondContact N-O 3.47Å; D115-L119 WeakPolarHBondContact OD1-CB 3.31Å; D115-L119 PolarHBondContact OD1-N 2.74Å; D115-Y124 WeakPolarHBondContact OD2-CE2 3.24Å; D115-Y124 PolarHBondContact OD2-OH 3.37Å
116H91.6Very high88.1Confident142 Ų14238.2 Ų38.266%0.65723%0.231SC*.THydrogen-bonded Turntrans-66.1-7.3179.8-61.6159.4000114K82 T83 G84K82-H116 PolarHBondContact O-CE1 3.02Å; K82-H116 PolarHBondContact O-ND1 3.02Å; T83-H116 VanDerWaalsContact C-ND1 3.28Å; T83-H116 WeakPolarHBondContact O-CB 3.18Å; T83-H116 PolarHBondContact O-N 2.9Å; G84-H116 PolarHBondContact N-CE1 3.06Å; G84-H116 PolarHBondContact N-ND1 3.36Å
117A86.1Confident87.8Confident75 Ų7534.9 Ų34.962%0.6221%0.213SC*.THydrogen-bonded Turntrans-99.62.4172.500000113.1D115 L119D115-A117 PolarHBondContact O-N 3.21Å; D115-A117 WeakPolarHBondContact OD1-CA 3.36Å; D115-A117 WeakPolarHBondContact OD1-CB 3.41Å; D115-A117 PolarHBondContact OD1-N 3.48Å; A117-L119 VanDerWaalsContact C-N 3.34Å; A117-L119 HydrophobicContact CB-CD1 4.14Å; A117-L119 HydrophobicContact CB-CG 4Å
118G85.1Confident87.4Confident40 Ų4033.9 Ų33.941%0.41221%0.206SC..SBendtrans7522.3-175.800000113.4D115D115-G118 PolarHBondContact O-N 3.18Å; D115-G118 PolarHBondContact OD1-N 2.86Å
119L85.6Confident87Confident49 Ų4935 Ų3526%0.25722%0.217SC..  trans-100.4120.3179.9-48.3176.9000109.4D115 A117 V123 Y124D115-L119 PolarHBondContact N-O 3.47Å; D115-L119 WeakPolarHBondContact OD1-CB 3.31Å; D115-L119 PolarHBondContact OD1-N 2.74Å; A117-L119 VanDerWaalsContact C-N 3.34Å; A117-L119 HydrophobicContact CB-CD1 4.14Å; A117-L119 HydrophobicContact CB-CG 4Å; L119-V123 HydrophobicContact CB-CG1 4.18Å; L119-V123 HydrophobicContact CD2-CG1 3.91Å; L119-Y124 HydrophobicContact CB-CD2 4.39Å; L119-Y124 HydrophobicContact CB-CE2 3.71Å; L119-Y124 HydrophobicContact CD1-CE1 4.27Å; L119-Y124 HydrophobicContact CD1-CE2 4.48Å
120S88.3Confident86.6Confident1 Ų137.5 Ų37.51%0.00723%0.231CC..BIsolated β-bridgetrans-82.7160.2171.4153.90000111.1P111 L113 L122 V123 Y124 Q165P111-S120 PolarHBondContact O-OG 2.53Å; L113-S120 WeakPolarHBondContact O-CA 3.37Å; S120-L122 PolarHBondContact O-N 2.89Å; S120-L122 PolarHBondContact OG-N 3.27Å; S120-V123 WeakPolarHBondContact O-CB 3.49Å; S120-V123 PolarHBondContact O-N 3.16Å; S120-Y124 WeakPolarHBondContact O-CD2 3.39Å; S120-Y124 PolarHBondContact O-N 3.37Å; S120-Q165 VanDerWaalsContact CB-OE1 3.28Å; S120-Q165 PolarHBondContact OG-NE2 2.98Å; S120-Q165 PolarHBondContact OG-OE1 3.14Å; S120-Q165 VanDerWaalsContact OG-OE1 3.13Å
121A88.3Confident86.5Confident1 Ų145 Ų451%0.00826%0.255CS..Hα-helixtrans-51.7-26173.800000114.6L88 M89 C92 Y124 A125 L137L88-A121 HydrophobicContact CD2-CB 3.36Å; M89-A121 HydrophobicContact CG-CB 3.79Å; C92-A121 PolarHBondContact SG-O 3.49Å; A121-Y124 PolarHBondContact O-N 3.17Å; A121-A125 PolarHBondContact O-N 2.9Å; A121-L137 HydrophobicContact CB-CD2 4.37Å
122L87.3Confident86.6Confident0 Ų052.3 Ų52.30%029%0.286CS..Hα-helixtrans-81.8-30.5-179.1-177.3148.4000112.7S120 A125 V126 L134 L137 L138 V148 I150S120-L122 PolarHBondContact O-N 2.89Å; S120-L122 PolarHBondContact OG-N 3.27Å; L122-A125 PolarHBondContact O-N 2.99Å; L122-V126 WeakPolarHBondContact O-CG2 3.37Å; L122-V126 PolarHBondContact O-N 2.89Å; L122-V126 VanDerWaalsContact O-N 3.13Å; L122-L134 HydrophobicContact CG-CD1 4.5Å; L122-L137 VanDerWaalsContact CA-CD2 3.47Å; L122-L137 HydrophobicContact CB-CD2 3.63Å; L122-L137 HydrophobicContact CB-CG 4.35Å; L122-L137 HydrophobicContact CD1-CD2 4.38Å; L122-L137 HydrophobicContact CD1-CG 4.32Å; L122-L137 HydrophobicContact CG-CD2 4.18Å; L122-L138 HydrophobicContact CD1-CD2 4.03Å; L122-V148 HydrophobicContact CD1-CB 4.39Å; L122-V148 HydrophobicContact CD1-CG1 4.04Å; L122-V148 HydrophobicContact CD1-CG2 4.4Å; L122-V148 HydrophobicContact CD2-CG1 3.65Å; L122-V148 HydrophobicContact CG-CG1 4.48Å; L122-I150 HydrophobicContact CD2-CD1 3.34Å; L122-I150 HydrophobicContact CD2-CG1 3.5Å; L122-I150 HydrophobicContact CG-CD1 4.29Å
123V85.9Confident86.9Confident1 Ų151.5 Ų51.51%0.00628%0.278CS..Hα-helixtrans-59.2-47.4163.2169.60000110.2L119 S120 A125 V126 N127 T163 Q165L119-V123 HydrophobicContact CB-CG1 4.18Å; L119-V123 HydrophobicContact CD2-CG1 3.91Å; S120-V123 WeakPolarHBondContact O-CB 3.49Å; S120-V123 PolarHBondContact O-N 3.16Å; V123-A125 PolarHBondContact O-N 3.25Å; V123-V126 PolarHBondContact O-N 3.3Å; V123-N127 PolarHBondContact O-N 2.84Å; V123-N127 PolarHBondContact O-OD1 3.49Å; V123-T163 WeakPolarHBondContact CG1-O 3.4Å; V123-T163 WeakPolarHBondContact CG1-OG1 3.34Å; V123-T163 PolarHBondContact O-OG1 3.14Å; V123-Q165 HydrophobicContact CG2-CB 3.55Å
124Y87.6Confident86.9Confident19 Ų1951 Ų518%0.07528%0.276CS..Hα-helixtrans-61.5-41.9176.4-74.4-65.9000113K85 M89 L93 D115 L119 S120 A121 V126 N127 S128K85-Y124 WeakPolarHBondContact CE-OH 3.5Å; K85-Y124 PolarHBondContact NZ-OH 3.03Å; M89-Y124 HydrophobicContact CB-CD2 4.15Å; M89-Y124 HydrophobicContact CB-CE2 4.38Å; M89-Y124 HydrophobicContact CG-CD2 4.16Å; M89-Y124 HydrophobicContact CG-CE2 4.4Å; M89-Y124 HydrophobicContact SD-CE2 4.31Å; L93-Y124 HydrophobicContact CD1-CD1 4.1Å; L93-Y124 HydrophobicContact CD1-CE1 3.93Å; L93-Y124 HydrophobicContact CD2-CD1 3.41Å; L93-Y124 VanDerWaalsContact CD2-CD1 3.41Å; L93-Y124 HydrophobicContact CD2-CE1 3.59Å; L93-Y124 HydrophobicContact CD2-CG 4.39Å; L93-Y124 HydrophobicContact CG-CD1 3.59Å; L93-Y124 HydrophobicContact CG-CE1 3.9Å; L93-Y124 HydrophobicContact CG-CG 4.13Å; D115-Y124 WeakPolarHBondContact OD2-CE2 3.24Å; D115-Y124 PolarHBondContact OD2-OH 3.37Å; L119-Y124 HydrophobicContact CB-CD2 4.39Å; L119-Y124 HydrophobicContact CB-CE2 3.71Å; L119-Y124 HydrophobicContact CD1-CE1 4.27Å; L119-Y124 HydrophobicContact CD1-CE2 4.48Å; S120-Y124 WeakPolarHBondContact O-CD2 3.39Å; S120-Y124 PolarHBondContact O-N 3.37Å; A121-Y124 PolarHBondContact O-N 3.17Å; Y124-V126 PolarHBondContact O-N 2.74Å; Y124-N127 PolarHBondContact O-N 3.4Å; Y124-S128 PolarHBondContact O-N 3.07Å
125A87.5Confident86.9Confident0 Ų049.1 Ų49.10%027%0.273CS..Hα-helixtrans-59.1-44175.800000112.3A121 L122 V123 S128 I133 L134 L137A121-A125 PolarHBondContact O-N 2.9Å; L122-A125 PolarHBondContact O-N 2.99Å; V123-A125 PolarHBondContact O-N 3.25Å; A125-S128 PolarHBondContact O-N 3.07Å; A125-S128 PolarHBondContact O-OG 2.96Å; A125-I133 HydrophobicContact CB-CG2 4.05Å; A125-L134 HydrophobicContact CB-CD1 4.26Å; A125-L137 HydrophobicContact CB-CD2 3.96Å
126V86.4Confident86.9Confident24 Ų2450.5 Ų50.515%0.14528%0.282CS..Hα-helixtrans-68.2-43.2176.6-179.60000111.9L122 V123 Y124 S128 G129 L134 I150 T152 T163L122-V126 WeakPolarHBondContact O-CG2 3.37Å; L122-V126 PolarHBondContact O-N 2.89Å; L122-V126 VanDerWaalsContact O-N 3.13Å; V123-V126 PolarHBondContact O-N 3.3Å; Y124-V126 PolarHBondContact O-N 2.74Å; V126-S128 PolarHBondContact O-N 3.41Å; V126-G129 PolarHBondContact O-N 3.39Å; V126-L134 HydrophobicContact CG2-CD1 3.6Å; V126-L134 HydrophobicContact CG2-CD2 4.06Å; V126-L134 HydrophobicContact CG2-CG 4.47Å; V126-I150 HydrophobicContact CG2-CD1 3.67Å; V126-I150 HydrophobicContact CG2-CG2 4.25Å; V126-T152 HydrophobicContact CG1-CG2 4.01Å; V126-T163 HydrophobicContact CB-CG2 4.44Å; V126-T163 HydrophobicContact CG1-CG2 3.83Å
127N85.3Confident86.7Confident63 Ų6343.8 Ų43.834%0.33725%0.251SS..Hα-helixtrans-61.1-31.1178.3-65.5-5.9000112.2V123 Y124 G129 Q161 T163V123-N127 PolarHBondContact O-N 2.84Å; V123-N127 PolarHBondContact O-OD1 3.49Å; Y124-N127 PolarHBondContact O-N 3.4Å; N127-G129 VanDerWaalsContact C-N 3.28Å; N127-G129 PolarHBondContact O-N 2.96Å; N127-Q161 PolarHBondContact OD1-O 2.96Å; N127-T163 WeakPolarHBondContact OD1-CG2 2.89Å; N127-T163 PolarHBondContact OD1-OG1 3.21Å
128S83.3Confident86.7Confident26 Ų2642.7 Ų42.718%0.18223%0.234CC..THydrogen-bonded Turntrans-71.7-16.517480.30000114.7Y124 A125 V126 N130Y124-S128 PolarHBondContact O-N 3.07Å; A125-S128 PolarHBondContact O-N 3.07Å; A125-S128 PolarHBondContact O-OG 2.96Å; V126-S128 PolarHBondContact O-N 3.41Å; S128-N130 PolarHBondContact O-N 3.26Å; S128-N130 PolarHBondContact OG-N 3.42Å
129G81.8Confident86.8Confident57 Ų5744.7 Ų44.759%0.58824%0.236SC*.THydrogen-bonded Turntrans70.8-2.4-17500000115.8V126 N127 R131V126-G129 PolarHBondContact O-N 3.39Å; N127-G129 VanDerWaalsContact C-N 3.28Å; N127-G129 PolarHBondContact O-N 2.96Å; G129-R131 PolarHBondContact O-N 3.36Å
130N83.6Confident86.9Confident53 Ų5343.3 Ų43.328%0.28323%0.231SC..  trans-77.495.9-174.5-87.2-53.7000113.2Q95 S128 K132 I133 L134Q95-N130 WeakPolarHBondContact CG-ND2 3.25Å; Q95-N130 PolarHBondContact OE1-ND2 3.49Å; S128-N130 PolarHBondContact O-N 3.26Å; S128-N130 PolarHBondContact OG-N 3.42Å; N130-K132 PolarHBondContact O-N 2.92Å; N130-K132 VanDerWaalsContact O-N 3.11Å; N130-I133 HydrophobicContact CB-CB 4.1Å; N130-I133 HydrophobicContact CB-CD1 3.77Å; N130-I133 HydrophobicContact CB-CG1 3.93Å; N130-I133 PolarHBondContact O-N 3.25Å; N130-I133 VanDerWaalsContact O-N 3.08Å; N130-L134 PolarHBondContact O-N 3.38Å
131R85.9Confident86.7Confident215 Ų21543.6 Ų43.681%0.81123%0.233SC*.Hα-helixtrans-52.6-34178.6-62.5-172.269.3178.21.5114.2G129 S135G129-R131 PolarHBondContact O-N 3.36Å; R131-S135 PolarHBondContact O-N 3.32Å; R131-S135 PolarHBondContact O-OG 2.98Å
132K88.6Confident86.4Confident156 Ų15650 Ų5068%0.67826%0.26SS*.Hα-helixtrans-68.9-43.3178.3-64.8-177.1-179.4179.70112.7N130 L134 S135 V136N130-K132 PolarHBondContact O-N 2.92Å; N130-K132 VanDerWaalsContact O-N 3.11Å; K132-L134 VanDerWaalsContact C-N 3.35Å; K132-S135 PolarHBondContact O-OG 3.03Å; K132-V136 WeakPolarHBondContact O-CG2 3.24Å; K132-V136 PolarHBondContact O-N 3.12Å
133I88.6Confident86.2Confident5 Ų554.3 Ų54.33%0.02630%0.296CS..Hα-helixtrans-66.4-44.1176.8-61.3177.1000109Q95 L101 A125 N130 S135 V136 L137Q95-I133 HydrophobicContact CB-CD1 4.5Å; L101-I133 HydrophobicContact CD1-CB 4.07Å; L101-I133 HydrophobicContact CD1-CD1 4.15Å; L101-I133 HydrophobicContact CD1-CG1 3.69Å; L101-I133 HydrophobicContact CD1-CG2 3.61Å; L101-I133 HydrophobicContact CD2-CG2 3.84Å; L101-I133 HydrophobicContact CG-CG2 4.39Å; A125-I133 HydrophobicContact CB-CG2 4.05Å; N130-I133 HydrophobicContact CB-CB 4.1Å; N130-I133 HydrophobicContact CB-CD1 3.77Å; N130-I133 HydrophobicContact CB-CG1 3.93Å; N130-I133 PolarHBondContact O-N 3.25Å; N130-I133 VanDerWaalsContact O-N 3.08Å; I133-S135 PolarHBondContact O-N 3.16Å; I133-V136 PolarHBondContact O-N 3.08Å; I133-L137 WeakPolarHBondContact O-CB 3.3Å; I133-L137 PolarHBondContact O-N 2.77Å
134L88.2Confident85.8Confident40 Ų4057.8 Ų57.821%0.20931%0.311CS..Hα-helixtrans-61.4-41.4177.2-174.962.6000113.1L122 A125 V126 N130 K132 L137 L138 I150L122-L134 HydrophobicContact CG-CD1 4.5Å; A125-L134 HydrophobicContact CB-CD1 4.26Å; V126-L134 HydrophobicContact CG2-CD1 3.6Å; V126-L134 HydrophobicContact CG2-CD2 4.06Å; V126-L134 HydrophobicContact CG2-CG 4.47Å; N130-L134 PolarHBondContact O-N 3.38Å; K132-L134 VanDerWaalsContact C-N 3.35Å; L134-L137 PolarHBondContact O-N 2.87Å; L134-L138 HydrophobicContact CD1-CD1 4.15Å; L134-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 HydrophobicContact CG-CD1 3.89Å; L134-L138 HydrophobicContact CG-CG 4.38Å; L134-L138 VanDerWaalsContact O-CB 3.32Å; L134-L138 WeakPolarHBondContact O-CB 3.02Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.32Å; L134-L138 PolarHBondContact O-N 3.44Å; L134-I150 HydrophobicContact CD1-CD1 4.3Å
135S88.9Confident85.1Confident54 Ų5459.9 Ų59.938%0.37834%0.339SS..Hα-helixtrans-65.5-48178.2560000112.1R131 K132 I133 L137 L138 D139R131-S135 PolarHBondContact O-N 3.32Å; R131-S135 PolarHBondContact O-OG 2.98Å; K132-S135 PolarHBondContact O-OG 3.03Å; I133-S135 PolarHBondContact O-N 3.16Å; S135-L137 VanDerWaalsContact C-N 3.27Å; S135-L137 PolarHBondContact O-N 2.89Å; S135-L138 PolarHBondContact O-N 3.2Å; S135-D139 WeakPolarHBondContact O-CB 3.39Å; S135-D139 VanDerWaalsContact O-CG 3.28Å; S135-D139 PolarHBondContact O-N 3.45Å
136V90.3Very high84.3Confident40 Ų4062.8 Ų62.824%0.24235%0.352CS..Hα-helixtrans-56.5-44.5177171.60000110.9P98 L101 L105 K132 I133 D139 A140P98-V136 HydrophobicContact CB-CG2 4.25Å; L101-V136 HydrophobicContact CB-CG1 4.26Å; L105-V136 HydrophobicContact CD1-CG1 3.92Å; K132-V136 WeakPolarHBondContact O-CG2 3.24Å; K132-V136 PolarHBondContact O-N 3.12Å; I133-V136 PolarHBondContact O-N 3.08Å; V136-D139 PolarHBondContact O-N 3.07Å; V136-A140 WeakPolarHBondContact O-CB 3.31Å; V136-A140 PolarHBondContact O-N 3.02Å
137L87.8Confident83.1Confident0 Ų069.4 Ų69.40%038%0.381CS..Hα-helixtrans-70.6-39-179-164.561.8000112.9L88 L105 P111 A121 L122 A125 I133 L134 S135 A140 C141L88-L137 HydrophobicContact CD1-CD1 4.45Å; L88-L137 HydrophobicContact CD2-CD1 3.77Å; L105-L137 HydrophobicContact CD1-CD1 4.29Å; L105-L137 HydrophobicContact CD2-CD1 4.24Å; P111-L137 HydrophobicContact CB-CD1 3.67Å; P111-L137 HydrophobicContact CB-CG 4.43Å; A121-L137 HydrophobicContact CB-CD2 4.37Å; L122-L137 VanDerWaalsContact CA-CD2 3.47Å; L122-L137 HydrophobicContact CB-CD2 3.63Å; L122-L137 HydrophobicContact CB-CG 4.35Å; L122-L137 HydrophobicContact CD1-CD2 4.38Å; L122-L137 HydrophobicContact CD1-CG 4.32Å; L122-L137 HydrophobicContact CG-CD2 4.18Å; A125-L137 HydrophobicContact CB-CD2 3.96Å; I133-L137 WeakPolarHBondContact O-CB 3.3Å; I133-L137 PolarHBondContact O-N 2.77Å; L134-L137 PolarHBondContact O-N 2.87Å; S135-L137 VanDerWaalsContact C-N 3.27Å; S135-L137 PolarHBondContact O-N 2.89Å; L137-A140 PolarHBondContact O-N 3.29Å; L137-C141 WeakPolarHBondContact O-CB 3.32Å; L137-C141 PolarHBondContact O-N 3.28Å; L137-C141 PolarHBondContact O-SG 3.42Å
138L86.7Confident82.1Confident52 Ų5267.7 Ų67.727%0.27237%0.373SS..Hα-helixtrans-64-42.5174.3-79170.1000111.7L122 L134 S135 C141 K142L122-L138 HydrophobicContact CD1-CD2 4.03Å; L134-L138 HydrophobicContact CD1-CD1 4.15Å; L134-L138 HydrophobicContact CD1-CG 4.21Å; L134-L138 HydrophobicContact CG-CD1 3.89Å; L134-L138 HydrophobicContact CG-CG 4.38Å; L134-L138 VanDerWaalsContact O-CB 3.32Å; L134-L138 WeakPolarHBondContact O-CB 3.02Å; L134-L138 VanDerWaalsContact O-CG 3.25Å; L134-L138 WeakPolarHBondContact O-CG 3.32Å; L134-L138 PolarHBondContact O-N 3.44Å; S135-L138 PolarHBondContact O-N 3.2Å; L138-C141 PolarHBondContact O-N 3.29Å; L138-K142 VanDerWaalsContact O-CG 3.28Å; L138-K142 WeakPolarHBondContact O-CG 3.36Å; L138-K142 PolarHBondContact O-N 2.92Å
139D87.8Confident81.1Confident83 Ų8371.8 Ų71.844%0.44439%0.391SS..Hα-helixtrans-68.6-36-179.7-65.6-27.7000111.4S135 V136 K142 A143S135-D139 WeakPolarHBondContact O-CB 3.39Å; S135-D139 VanDerWaalsContact O-CG 3.28Å; S135-D139 PolarHBondContact O-N 3.45Å; V136-D139 PolarHBondContact O-N 3.07Å; D139-K142 PolarHBondContact O-N 3.11Å; D139-K142 IonicContact OD1-NZ 3.79Å; D139-K142 PolarHBondContact OD1-NZ 3.11Å; D139-A143 WeakPolarHBondContact O-CB 3.34Å; D139-A143 PolarHBondContact O-N 3.43Å
140A86.2Confident80.3Confident20 Ų2071.3 Ų71.317%0.16538%0.375CS..Hα-helixtrans-68.9-36.117000000113.7L105 V136 L137 A143 K144L105-A140 HydrophobicContact CB-CB 4.49Å; L105-A140 HydrophobicContact CD1-CB 3.67Å; L105-A140 HydrophobicContact CD2-CB 3.84Å; L105-A140 HydrophobicContact CG-CB 4.2Å; V136-A140 WeakPolarHBondContact O-CB 3.31Å; V136-A140 PolarHBondContact O-N 3.02Å; L137-A140 PolarHBondContact O-N 3.29Å; A140-A143 PolarHBondContact O-N 3.11Å; A140-K144 PolarHBondContact O-N 3.18Å
141C83.9Confident79.2Confident6 Ų672.7 Ų72.74%0.04138%0.381CS..Hα-helixtrans-63.9-42.1172.4-76.70000112.1P111 L137 L138 K144 G145 K146 V148P111-C141 VanDerWaalsContact CG-SG 3.58Å; L137-C141 WeakPolarHBondContact O-CB 3.32Å; L137-C141 PolarHBondContact O-N 3.28Å; L137-C141 PolarHBondContact O-SG 3.42Å; L138-C141 PolarHBondContact O-N 3.29Å; C141-K144 CarbonylContact O-C 3.58Å; C141-K144 PolarHBondContact O-N 2.88Å; C141-G145 PolarHBondContact O-N 3.28Å; C141-K146 PolarHBondContact O-N 3.23Å; C141-V148 HydrophobicContact CB-CG2 3.96Å
142K83.3Confident78Confident135 Ų13566.3 Ų66.359%0.58737%0.366SS*.Hα-helixtrans-61.2-45.1172.2-67.7167.6-160.5162.10111.3L138 D139 K144 G145L138-K142 VanDerWaalsContact O-CG 3.28Å; L138-K142 WeakPolarHBondContact O-CG 3.36Å; L138-K142 PolarHBondContact O-N 2.92Å; D139-K142 PolarHBondContact O-N 3.11Å; D139-K142 IonicContact OD1-NZ 3.79Å; D139-K142 PolarHBondContact OD1-NZ 3.11Å; K142-K144 VanDerWaalsContact C-N 3.28Å; K142-K144 PolarHBondContact O-N 2.86Å; K142-G145 WeakPolarHBondContact O-CA 2.85Å; K142-G145 PolarHBondContact O-N 2.8Å
143A83.3Confident76.5Confident91 Ų9161.6 Ų61.675%0.75235%0.351SS*.Hα-helixtrans-61.8-35176.900000112.5D139 A140 G145D139-A143 WeakPolarHBondContact O-CB 3.34Å; D139-A143 PolarHBondContact O-N 3.43Å; A140-A143 PolarHBondContact O-N 3.11Å; A143-G145 PolarHBondContact O-N 3.07Å
144K77.8Confident74.4Confident75 Ų7565.6 Ų65.633%0.32638%0.379SS..THydrogen-bonded Turntrans-78.24.8170.9-72.1-172.2169.3-170.50114.1A109 D110 P111 A140 C141 K142 K146A109-K144 PolarHBondContact O-NZ 2.65Å; D110-K144 IonicContact OD1-NZ 2.68Å; D110-K144 PolarHBondContact OD1-NZ 3.26Å; P111-K144 HydrophobicContact CG-CD 4.47Å; A140-K144 PolarHBondContact O-N 3.18Å; C141-K144 CarbonylContact O-C 3.58Å; C141-K144 PolarHBondContact O-N 2.88Å; K142-K144 VanDerWaalsContact C-N 3.28Å; K142-K144 PolarHBondContact O-N 2.86Å; K144-K146 VanDerWaalsContact C-N 3.33Å; K144-K146 PolarHBondContact O-N 3.43Å
145G73.1Confident72.6Confident63 Ų6369.3 Ų69.365%0.64939%0.394SS*.THydrogen-bonded Turntrans67.325.7176.600000114.9C141 K142 A143C141-G145 PolarHBondContact O-N 3.28Å; K142-G145 WeakPolarHBondContact O-CA 2.85Å; K142-G145 PolarHBondContact O-N 2.8Å; A143-G145 PolarHBondContact O-N 3.07Å
146K70.3Confident70.4Confident61 Ų6172 Ų7227%0.26540%0.401SS..  trans-106.8117-179.3-63.7-179-178.7178.80109.9A112 C141 K144 L167A112-K146 HydrophobicContact CB-CD 4.04Å; A112-K146 VanDerWaalsContact CB-NZ 3.33Å; C141-K146 PolarHBondContact O-N 3.23Å; K144-K146 VanDerWaalsContact C-N 3.33Å; K144-K146 PolarHBondContact O-N 3.43Å; K146-L167 HydrophobicContact CB-CD1 4.45Å
147E60.8Low68.6Low162 Ų16275.7 Ų75.776%0.75744%0.436SS*.  trans-79.3120.3170.8-68.9-169.8163.800108.9N168E147-N168 PolarHBondContact N-OD1 3.28Å; E147-N168 PolarHBondContact O-OD1 3.21Å; E147-N168 VanDerWaalsContact O-OD1 3.14Å
148V64.5Low66.7Low28 Ų2879.3 Ų79.317%0.1746%0.462CS..EExtended strand (participates in β ladder)trans-112.9109.8-175-168.50000109.5L122 C141 I150 Q165 L167L122-V148 HydrophobicContact CD1-CB 4.39Å; L122-V148 HydrophobicContact CD1-CG1 4.04Å; L122-V148 HydrophobicContact CD1-CG2 4.4Å; L122-V148 HydrophobicContact CD2-CG1 3.65Å; L122-V148 HydrophobicContact CG-CG1 4.48Å; C141-V148 HydrophobicContact CB-CG2 3.96Å; V148-I150 HydrophobicContact CG1-CG1 4.4Å; V148-Q165 HydrophobicContact CG1-CG 3.84Å; V148-L167 HydrophobicContact CG2-CD1 4.01Å
149I62.5Low65.1Low111 Ų11182.4 Ų82.457%0.56948%0.479SS*.EExtended strand (participates in β ladder)trans-92.7111.5172.5-57.6178.6000107.7I151 Y166I149-I151 HydrophobicContact CG2-CG1 4.08Å; I149-Y166 PolarHBondContact N-O 3.1Å; I149-Y166 PolarHBondContact O-N 3.28Å
150I65.1Low63.4Low47 Ų4785.8 Ų85.824%0.24149%0.491CS..EExtended strand (participates in β ladder)trans-92.8116.8173.7-38.8177.8000107.8L122 V126 L134 V148 T152L122-I150 HydrophobicContact CD2-CD1 3.34Å; L122-I150 HydrophobicContact CD2-CG1 3.5Å; L122-I150 HydrophobicContact CG-CD1 4.29Å; V126-I150 HydrophobicContact CG2-CD1 3.67Å; V126-I150 HydrophobicContact CG2-CG2 4.25Å; L134-I150 HydrophobicContact CD1-CD1 4.3Å; V148-I150 HydrophobicContact CG1-CG1 4.4Å; I150-T152 HydrophobicContact CG2-CG2 4.35Å
151I60.3Low61.9Low82 Ų8288.7 Ų88.742%0.42150%0.502SS..EExtended strand (participates in β ladder)trans-101.4101.9170-55.6-173.5000107.6I149 T153 K164 Y166I149-I151 HydrophobicContact CG2-CG1 4.08Å; I151-T153 HydrophobicContact CG2-CG2 4.36Å; I151-T153 PolarHBondContact O-N 3.18Å; I151-K164 PolarHBondContact N-O 2.59Å; I151-K164 PolarHBondContact O-N 2.65Å; I151-Y166 HydrophobicContact CB-CD2 4.34Å; I151-Y166 HydrophobicContact CB-CE2 4.15Å; I151-Y166 HydrophobicContact CD1-CD2 3.78Å; I151-Y166 HydrophobicContact CD1-CE2 3.74Å; I151-Y166 HydrophobicContact CG1-CD2 3.92Å; I151-Y166 HydrophobicContact CG1-CE2 4.09Å
152T60.2Low60.5Low81 Ų8193.5 Ų93.550%0.49753%0.525SS..EExtended strand (participates in β ladder)trans-74.691.6170.858.10000109.4V126 I150 T163V126-T152 HydrophobicContact CG1-CG2 4.01Å; I150-T152 HydrophobicContact CG2-CG2 4.35Å; T152-T163 HydrophobicContact CG2-CG2 3.57Å
153T56.5Low59.1Low58 Ų5887.3 Ų87.336%0.35650%0.498SS..PPolyproline II helixtrans-65136.6169.940.30000109.7I151 M162I151-T153 HydrophobicContact CG2-CG2 4.36Å; I151-T153 PolarHBondContact O-N 3.18Å; T153-M162 PolarHBondContact N-O 3.17Å; T153-M162 PolarHBondContact OG1-O 2.92Å
154S45.3Very low58Low89 Ų8988.7 Ų88.762%0.62249%0.487SS*.PPolyproline II helixtrans-58.3154-155.653.70000115.6M156S154-M156 PolarHBondContact O-N 2.77Å; S154-M156 VanDerWaalsContact O-N 3.12Å
155K49.6Very low57.1Low118 Ų11886.4 Ų86.451%0.51348%0.477SS..PPolyproline II helixtrans-46.9118.1164.6-82.3-167173.1-146.40110.4D159 Q161K155-D159 IonicContact NZ-OD1 3.88Å; K155-D159 PolarHBondContact NZ-OD1 2.88Å; K155-Q161 HydrophobicContact CG-CG 3.63Å
156M43.4Very low56.3Low109 Ų10989.8 Ų89.854%0.53747%0.472SS..PPolyproline II helixtrans-74.5171.2153.1-72.9-75.495.900109.4S154 S158 M162S154-M156 PolarHBondContact O-N 2.77Å; S154-M156 VanDerWaalsContact O-N 3.12Å; M156-S158 CarbonylContact C-O 3.51Å; M156-S158 PolarHBondContact O-N 2.86Å; M156-M162 HydrophobicContact CG-CE 3.98Å
157A52.3Low55.3Low118 Ų11889.8 Ų89.898%0.97547%0.474SS*.SBendtrans-70.4-10.2-177.800000114.1
158S48.8Very low54.4Low77 Ų7786 Ų8654%0.53846%0.459SS..SBendtrans-87.2137159.950.20000109.5M156 H160M156-S158 CarbonylContact C-O 3.51Å; M156-S158 PolarHBondContact O-N 2.86Å; S158-H160 PolarHBondContact O-N 3.09Å
159D52.3Low53.1Low117 Ų11790.5 Ų90.563%0.62649%0.487SS*.SBendtrans-74.130-169.2-155.330.1000114.4K155K155-D159 IonicContact NZ-OD1 3.88Å; K155-D159 PolarHBondContact NZ-OD1 2.88Å
160H51.6Low51.7Low154 Ų15490.4 Ų90.471%0.71349%0.493SS*.  trans-108.596.8177-67.9-6.9000109S158 M162S158-H160 PolarHBondContact O-N 3.09Å; H160-M162 PolarHBondContact O-N 2.54Å
161Q55.5Low50.3Low81 Ų8194.5 Ų94.538%0.37952%0.523SS..  trans-67124172.4-69.6170.572.200108.9N127 K155N127-Q161 PolarHBondContact OD1-O 2.96Å; K155-Q161 HydrophobicContact CG-CG 3.63Å
162M53.5Low49Very low107 Ų10795.6 Ų95.653%0.52754%0.538SS..  trans-96.3108.7173.262-170.984.400108.3T153 M156 H160T153-M162 PolarHBondContact N-O 3.17Å; T153-M162 PolarHBondContact OG1-O 2.92Å; M156-M162 HydrophobicContact CG-CE 3.98Å; H160-M162 PolarHBondContact O-N 2.54Å
163T55.3Low47.9Very low4 Ų497 Ų973%0.02555%0.551CS.*EExtended strand (participates in β ladder)trans-104.2138.7179.765.30000110.3V123 V126 N127 T152V123-T163 WeakPolarHBondContact CG1-O 3.4Å; V123-T163 WeakPolarHBondContact CG1-OG1 3.34Å; V123-T163 PolarHBondContact O-OG1 3.14Å; V126-T163 HydrophobicContact CB-CG2 4.44Å; V126-T163 HydrophobicContact CG1-CG2 3.83Å; N127-T163 WeakPolarHBondContact OD1-CG2 2.89Å; N127-T163 PolarHBondContact OD1-OG1 3.21Å; T152-T163 HydrophobicContact CG2-CG2 3.57Å
164K58.4Low46.8Very low121 Ų121102.4 Ų102.453%0.52658%0.577SS.*EExtended strand (participates in β ladder)trans-117131.5177.8-68.1-171.3177.8-173.90109.1I151 Y166I151-K164 PolarHBondContact N-O 2.59Å; I151-K164 PolarHBondContact O-N 2.65Å; K164-Y166 HydrophobicContact CB-CE2 4.12Å
165Q60Low46.2Very low26 Ų26103.8 Ų103.812%0.12159%0.587CS.*EExtended strand (participates in β ladder)trans-98136177.9173.2170.7-30.400109.6S120 V123 V148S120-Q165 VanDerWaalsContact CB-OE1 3.28Å; S120-Q165 PolarHBondContact OG-NE2 2.98Å; S120-Q165 PolarHBondContact OG-OE1 3.14Å; S120-Q165 VanDerWaalsContact OG-OE1 3.13Å; V123-Q165 HydrophobicContact CG2-CB 3.55Å; V148-Q165 HydrophobicContact CG1-CG 3.84Å
166Y55.9Low45.3Very low134 Ų134101.4 Ų101.453%0.52560%0.595SS.*EExtended strand (participates in β ladder)trans-117.8114.7169.8-64.9-90.8000107.4I149 I151 K164I149-Y166 PolarHBondContact N-O 3.1Å; I149-Y166 PolarHBondContact O-N 3.28Å; I151-Y166 HydrophobicContact CB-CD2 4.34Å; I151-Y166 HydrophobicContact CB-CE2 4.15Å; I151-Y166 HydrophobicContact CD1-CD2 3.78Å; I151-Y166 HydrophobicContact CD1-CE2 3.74Å; I151-Y166 HydrophobicContact CG1-CD2 3.92Å; I151-Y166 HydrophobicContact CG1-CE2 4.09Å; K164-Y166 HydrophobicContact CB-CE2 4.12Å
167L50.1Low44.6Very low61 Ų61102.7 Ų102.732%0.31961%0.613SS.*EExtended strand (participates in β ladder)trans-100.8120.2-177.9-164.285.9000110.1A112 K146 V148A112-L167 HydrophobicContact CB-CD2 4.01Å; K146-L167 HydrophobicContact CB-CD1 4.45Å; V148-L167 HydrophobicContact CG2-CD1 4.01Å
168N40.9Very low43.7Very low82 Ų82104.7 Ų104.744%0.43961%0.607SS.*  trans47.594.5165.7-66.9-16.9000118.3E147E147-N168 PolarHBondContact N-OD1 3.28Å; E147-N168 PolarHBondContact O-OD1 3.21Å; E147-N168 VanDerWaalsContact O-OD1 3.14Å
169V38.5Very low42.9Very low124 Ų124106 Ų10675%0.75262%0.616SS**  trans-130.6117.1144.6176.60000107.6
170P33Very low41.8Very low108 Ų108111 Ų11170%0.70163%0.627SS**  trans-64.2136.5168.828.8-32.9000108.1S172P170-S172 VanDerWaalsContact C-N 3.26Å; P170-S172 PolarHBondContact O-N 3.4Å
171P34.4Very low40.7Very low133 Ų133109.3 Ų109.386%0.86463%0.628SS**  trans-71.481.6-173.828.7-35.4000111.3S173P171-S173 PolarHBondContact O-N 3.11Å; P171-S173 VanDerWaalsContact O-N 3.08Å
172S33.6Very low39.4Very low105 Ų105110.5 Ų110.573%0.73465%0.646SS**  trans-65.4106.116455.50000107.9P170 L174P170-S172 VanDerWaalsContact C-N 3.26Å; P170-S172 PolarHBondContact O-N 3.4Å; S172-L174 PolarHBondContact O-N 2.92Å
173S36.9Very low38.2Very low112 Ų112111.3 Ų111.378%0.78366%0.656SS**  trans-43.1117.4177.5540000113.1P171P171-S173 PolarHBondContact O-N 3.11Å; P171-S173 VanDerWaalsContact O-N 3.08Å
174L34Very low37Very low171 Ų171117 Ų11790%0.89570%0.695SS**  trans-144.4123.4140.8-142.378.4000111.3S172S172-L174 PolarHBondContact O-N 2.92Å
175S33.1Very low35.6Very low118 Ų118116.4 Ų116.483%0.82571%0.706SS**  trans-63.4134.9169.8-179.10000110.6
176G30.7Very low34Very low67 Ų67126.6 Ų126.669%0.69175%0.745SS**  trans74109.4150.400000118.1
177C28.3Very low32.5Very low136 Ų136132 Ų13292%0.91976%0.764SS**  -154.3133114.8-128.10000111.3
178L32.6Very low31.4Very low161 Ų161133.7 Ų133.784%0.84378%0.782SS**  trans-78.4141.7176-71.4160.6000110
179S31.9Very low31Very low103 Ų103135.1 Ų135.172%0.7280%0.795SS**  trans33.6114.2149.660.30000119.3
180Y29.3Very low30.7Very low223 Ų223139 Ų13988%0.87580%0.798SS**  -156.2145117.6-136.4-109.7000112.8
181T29.6Very low30.4Very low118 Ų118141.8 Ų141.872%0.72480%0.801SS**  trans-77.2133.1166.648.10000110.3
182S27Very low30.1Very low107 Ų107141.1 Ų141.175%0.74880%0.8SS**  trans-169.6142.5137.4-169.10000112.3
183V29.7Very low29.6Very low123 Ų123144.6 Ų144.675%0.74581%0.805SS**  trans-50.1137.6155.9176.60000110.4
184C29.3Very low29.1Very low124 Ų124145.1 Ų145.184%0.83880%0.803SS**  trans-138.2104.4159.3-88.40000110.2
185S28.1Very low28.7Very low109 Ų109145.2 Ų145.276%0.76280%0.799SS**  trans-68.6148.8163.4-65.30000110.6R187S185-R187 PolarHBondContact O-N 2.98Å
186Y26.3Very low28.4Very low239 Ų239146.1 Ų146.194%0.93780%0.799SS**  trans-57.4128.7172.3-82.1-104.4000112.5
187R26.2Very low28.1Very low247 Ų247150 Ų15093%0.93280%0.804SS**  trans-152.8135.9144.5-149157-175.5141.5-0112.3S185S185-R187 PolarHBondContact O-N 2.98Å
188S26.7Very low28.5Very low98 Ų98148.7 Ų148.769%0.68579%0.793SS**  trans-71.3149.9-178.2-169.40000112.8
189P31.2Very low28.3Very low111 Ų111148.7 Ų148.772%0.72179%0.789SS**  trans-90.9141.7169.435.5-32000112.8
190Y31.8Very low27.9Very low207 Ų207148.7 Ų148.781%0.81279%0.788SS**  trans-149.4106.8148.9-85.8-81.9000103.1
191E27.9Very low27.7Very low166 Ų166143.5 Ų143.578%0.77679%0.785SS**  87.5144.973.1-173169.7-136.600112.8
192S27.6Very low27.4Very low119 Ų119143.3 Ų143.383%0.83279%0.788SS**  trans91.2152.6173.175.80000118.6
193Q24.3Very low27.4Very low178 Ų178142.9 Ų142.983%0.83279%0.792SS**  trans-117.8167.6-151.8-59.3160.7-3.900111.3
194T26Very low27.3Very low122 Ų122143.2 Ų143.275%0.74879%0.794SS**  142.3113.3126.859.10000114.9
195E25Very low27.5Very low174 Ų174142.8 Ų142.881%0.81379%0.79SS**  49.6148.7130-62.5-159.3148.600126
196T26.1Very low27.4Very low136 Ų136142 Ų14283%0.83478%0.784SS**  trans85.1119.3152.549.30000122.9
197L24.4Very low27.5Very low150 Ų150137.7 Ų137.779%0.78578%0.777SS**  trans-68.2161.2152.9-130.879.6000109.6
198P38.5Very low27.7Very low107 Ų107134 Ų13470%0.69577%0.77SS**  -152.1164.263.629.6-4.3000120
199H26.3Very low27.8Very low162 Ų162135.7 Ų135.775%0.7578%0.776SS**  trans51.8120.1141.9-59.3-49.4000126.1
200S24.2Very low27.6Very low102 Ų102135.4 Ų135.471%0.71378%0.776SS**  80.6129.8122.267.40000124.7
201S24.9Very low27.4Very low114 Ų114131.3 Ų131.380%0.79778%0.776SS**  trans64144.2148.746.30000119.8
202S23.9Very low27.5Very low114 Ų114128 Ų12880%0.79777%0.772SS**  cis-166.3176.7-2.449.20000111.6
203A26.4Very low27.6Very low99 Ų99129.7 Ų129.782%0.81877%0.77SS**  trans95123.8160.200000120.1
204T27.7Very low28Very low130 Ų130128.9 Ų128.980%0.79877%0.771SS**  trans-95.5163.1165.653.20000110.1
205P34.8Very low28.1Very low115 Ų115126.3 Ų126.375%0.74777%0.769SS**  -131.1148.987.9914.4000111.6
206S25.7Very low29.3Very low93 Ų93124 Ų12465%0.6577%0.769SS**  83.3132.956.194.90000115.2
207L27.9Very low29.6Very low148 Ų148122.8 Ų122.878%0.77577%0.766SS**  trans68.8152.5166.4-57.7173.9000118.8
208Q31.3Very low29.8Very low168 Ų168123.7 Ų123.779%0.78577%0.768SS**  cis-179.3132.5-34.2-141.6-178.714.600107.5
209T27.4Very low29.5Very low134 Ų134126.8 Ų126.882%0.82278%0.777SS**  trans-153.1112.4156.8-48.40000112.4
210C27.5Very low29.6Very low106 Ų106125 Ų12572%0.71677%0.771SS**  trans46.1114.8153.6-53.40000120.2
211C28Very low29.7Very low120 Ų120129 Ų12981%0.81178%0.775SS**  65.7133.970.5-600000113.1
212S29.6Very low29.9Very low98 Ų98131.8 Ų131.869%0.68578%0.776SS**  cis-167.5151.948-46.90000114.6
213L30.4Very low30.9Very low153 Ų153132.1 Ų132.180%0.80178%0.775SS**  trans64.3138.2144.5-62.4159000118.8
214L32.1Very low30.9Very low162 Ų162130.7 Ų130.785%0.84877%0.77SS**  cis-149.9153.33.5-95.6142.4000109.5
215G28.9Very low30.9Very low68 Ų68130.5 Ų130.570%0.70177%0.774SS**  trans-98.9-147.417300000113
216P50.2Low30.6Very low126 Ų126129.9 Ų129.982%0.81877%0.772SS**  cis-143.3-154-1.844.4-23.8000114.1
217S30.6Very low30.7Very low109 Ų109129.9 Ų129.976%0.76278%0.778SS**  trans83.5107.9177.472.10000115.5
218M29.3Very low30.8Very low169 Ų169131.5 Ų131.583%0.83378%0.781SS**  cis68.3112.843-68.8-74.2-179.100115.8
219I32.8Very low31.3Very low173 Ų173128.4 Ų128.489%0.88778%0.776SS**  -156.2140.9117.6-93.4149.4000108.7
220M27.5Very low31.3Very low125 Ų125130.2 Ų130.262%0.61678%0.78SS**  trans-88.8154.2176.9-76.4-177.560.500112
221F26.8Very low31.4Very low186 Ų186129.9 Ų129.982%0.81678%0.779SS**  179.614894.8-103.6-83.9000113.2
222Q29.6Very low32.1Very low172 Ų172129 Ų12980%0.80477%0.771SS**  trans-99.6-168177.9-101.4-169.7-1.900109.9
223P43.9Very low32Very low121 Ų121131.3 Ų131.379%0.78677%0.774SS**  cis-137.6-167.8-47.539.9-22.6000112.5
224G26.9Very low31.9Very low68 Ų68131.8 Ų131.870%0.70177%0.772SS**  trans145.8103.616300000112
225S28.8Very low31.7Very low126 Ų126130.3 Ų130.388%0.88176%0.764SS**  63.1130.261.3-134.60000112.1
226S26.6Very low31.8Very low102 Ų102132.7 Ų132.771%0.71377%0.77SS**  cis-162.4172.110.3560000113.2
227A28.7Very low30.7Very low94 Ų94133.9 Ų133.978%0.77777%0.769SS**  trans74.1114.9145.300000122.1
228Q29.6Very low30.7Very low181 Ų181136.6 Ų136.685%0.84678%0.775SS**  trans-63.1176.8143.7-67.7-173.2-13.200110.7
229P42.4Very low30.7Very low104 Ų104135 Ų13568%0.67577%0.769SS**  cis-154.5176.526.545.4-23.5000121
230L27.8Very low30.7Very low171 Ų171135.9 Ų135.990%0.89577%0.767SS**  trans70.6155.7149.8-72.3157.1000121.2
231S29.5Very low30.8Very low100 Ų100137.4 Ų137.470%0.69977%0.772SS**  trans-119-161.1-162.361.30000111.5
232P41.9Very low31Very low101 Ų101136.1 Ų136.166%0.65677%0.773SS**  cis-142.2-167.7-5.628.7-1.7000116.4
233I27.7Very low31Very low146 Ų146137.2 Ų137.275%0.74977%0.771SS**  trans75.4118.3159.2-36.2-176.3000116.9
234H28Very low30.5Very low163 Ų163137.2 Ų137.276%0.75577%0.771SS**  -170.9151.670.8-140.4-65.5000114.3
235I28.3Very low30.5Very low132 Ų132145.2 Ų145.268%0.67778%0.782SS**  trans-15.2135.6168.6-60170.4000120.8
236S30.6Very low30.4Very low117 Ų117147.5 Ų147.582%0.81878%0.776SS**  -163.4149127.348.30000113.2
237D27.2Very low30.4Very low151 Ų151149.1 Ų149.181%0.80778%0.781SS**  trans-76.7150.6-171.8-53.7-82.5000115.1
238L32Very low30.4Very low167 Ų167152.6 Ų152.687%0.87478%0.781SS**  trans-160.6145.4132.2-146.762.8000113.5
239D28.8Very low30.3Very low135 Ų135149.6 Ų149.672%0.72278%0.776SS**  trans-62.1147.8-175.9-59.8-72.3000116
240K33.2Very low29.8Very low192 Ų192151.5 Ų151.584%0.83578%0.776SS**  175.8130105.9-93.4154.4-171.2171.20115
241Q29.2Very low29.8Very low157 Ų157151.5 Ų151.573%0.73477%0.771SS**  trans46.8112134.1-61.7-79.1-17.500119.4
242L31.1Very low29.8Very low158 Ų158158.2 Ų158.283%0.82778%0.781SS**  176153.8109.6-90.7162.6000112.5
243Y28.3Very low29.1Very low196 Ų196158.5 Ų158.577%0.76979%0.785SS**  trans-74.8150.9-171-65.7-99.4000115
244P34.6Very low29.2Very low121 Ų121161.4 Ų161.479%0.78679%0.792SS**  trans-118.4124.4147.734.2-23.3000112K246P244-K246 PolarHBondContact O-N 2.74Å
245Y27Very low29.6Very low236 Ų236159 Ų15993%0.92579%0.794SS**  trans-73.7125.1166.5-96.3-86.9000110.1
246K27Very low30.7Very low174 Ų174158.1 Ų158.176%0.75780%0.797SS**  trans-106.1118.4177.9-169.1176.3-175.2179.50109P244 Q248P244-K246 PolarHBondContact O-N 2.74Å; K246-Q248 PolarHBondContact O-N 3.19Å
247V26.5Very low30.7Very low136 Ų136157.7 Ų157.782%0.82479%0.794SS**  trans-66.9125.8168.3175.80000107.9
248Q27.6Very low30.9Very low166 Ų166158.2 Ų158.278%0.77680%0.796SS**  trans-121.9125.4165-84.9-169.2-51.300111.2K246K246-Q248 PolarHBondContact O-N 3.19Å
249T27.9Very low30.8Very low119 Ų119157.1 Ų157.173%0.7379%0.79SS**  trans-74.2176174.8-26.20000111.1
250E32.2Very low31Very low144 Ų144157.4 Ų157.467%0.67379%0.791SS**  trans100.4115.6151.1-65.8-78.883.600120.1
251Q27.8Very low31.1Very low171 Ų171154.4 Ų154.480%0.79978%0.78SS**  93.7156.3128-75.7-173.418.800122
252R28.9Very low31.4Very low240 Ų240153.9 Ų153.991%0.90678%0.778SS**  trans-146.9124.1-146.3169.6-168.4-171.3169.24.3108.4
253S26.6Very low31.5Very low107 Ų107151.2 Ų151.275%0.74876%0.764SS**  trans-156.9110.5162.542.50000114.4
254K30.9Very low31.8Very low207 Ų207150.3 Ų150.390%0.977%0.767SS**  trans61.6139.9133.4-59.8175.2-178.6176.70120.2
255S34.9Very low31.6Very low112 Ų112149 Ų14978%0.78377%0.766SS**  trans-84.8-163.4-174.3540000112.1
256P53.4Low31.6Very low114 Ų114143.7 Ų143.774%0.7476%0.762SS**  cis-147.3173.14.843.7-24.2000119.3
257S29.1Very low31.5Very low109 Ų109139.5 Ų139.576%0.76276%0.755SS**  trans-179.2115.2146.247.50000109.4
258L30.9Very low31.7Very low161 Ų161140.9 Ų140.984%0.84376%0.757SS**  81.3118.677-83.8-179.5000117.2
259L31.1Very low31.8Very low145 Ų145140 Ų14076%0.75976%0.756SS**  trans82.8150.6148.6-77.2170.8000122.8
260L33.1Very low32Very low140 Ų140143.1 Ų143.173%0.73376%0.762SS**  trans70.7147.4166.7-95.963.7000116.2
261Q34.3Very low32.1Very low130 Ų130144.1 Ų144.161%0.60777%0.767SS**  cis-166.3139-7.6-159.3174.3-71.200109.3
262Q35.4Very low33Very low146 Ų146141.4 Ų141.468%0.68276%0.764SS**  trans56.8167.8150.4-78.2175.2-18.200118.7
263N34.3Very low33.1Very low102 Ų102135.1 Ų135.155%0.54575%0.752SS.*  cis-156.8160.2-13.7-120.5-17.4000110.7
264Q34.2Very low33.3Very low176 Ų176137.6 Ų137.682%0.82275%0.752SS**  trans69.3142.3142.8-70.5163.52.700121.5
265A30.1Very low33.2Very low94 Ų94134 Ų13478%0.77774%0.742SS**  trans-110.515617400000110.6
266C27.3Very low32.8Very low125 Ų125134.2 Ų134.285%0.84574%0.739SS**  trans173.7153.5154.3-103.90000108.1
267S25.4Very low31.8Very low86 Ų86137.4 Ų137.460%0.60175%0.749SS**  cis174.7149.6-29.148.60000107.9
268L29.5Very low31.8Very low164 Ų164140.4 Ų140.486%0.85975%0.751SS**  trans73.9132.3171.3-44.5168.8000114
269I30.7Very low32Very low148 Ų148140.6 Ų140.676%0.75975%0.748SS**  -158.8134.658.8-79.4162.4000111.1
270E31.2Very low32.2Very low184 Ų184142.7 Ų142.786%0.8675%0.753SS**  trans41117.9149.2-58.5175.3164.800124.2
271E34.6Very low33Very low166 Ų166144.4 Ų144.478%0.77676%0.758SS**  trans12.9149.1131-72.8-66.1135.400120.8V273E271-V273 PolarHBondContact OE2-N 3.45Å
272P47Very low33.1Very low113 Ų113145.8 Ų145.873%0.73477%0.769SS**  cis-148.7153.24837.6-15.4000121.7
273V30.8Very low32.8Very low108 Ų108143.1 Ų143.166%0.65577%0.766SS**  trans66.9101.3137.5179.50000121.3E271E271-V273 PolarHBondContact OE2-N 3.45Å
274E31Very low32.8Very low159 Ų159145.7 Ų145.774%0.74378%0.778SS**  trans23130.1130.7-57.3-179.9145.800122.9
275N28.7Very low32.5Very low132 Ų132148 Ų14871%0.70678%0.779SS**  162.981.1106.4-85.7-72.1000110
276T27.3Very low32.5Very low116 Ų116150.3 Ų150.371%0.71278%0.778SS**  57.4114.690.364.60000117.1
277L31.5Very low32.6Very low182 Ų182153.6 Ų153.695%0.95378%0.778SS**  trans-167.480.5137.1-109163.6000111.4
278E29.6Very low32.8Very low171 Ų171153.7 Ų153.780%0.79978%0.784SS**  trans-99.1161.2149-74.9176.3177.600105.3
279E35Very low33Very low165 Ų165154.6 Ų154.677%0.77179%0.788SS**  cis-172.6-179.50.5-116.3-172.6-17800104.9
280E35.7Very low33Very low189 Ų189150.7 Ų150.788%0.88379%0.785SS**  152.7107.7129.6-83.6-163.3145.700112
281E49.1Very low33.2Very low176 Ų176149.6 Ų149.682%0.82278%0.783SS**  trans-87.6154.6142.6-66.4-171.1124.800108.8
282L36.3Very low33.2Very low160 Ų160150.6 Ų150.684%0.83879%0.788SS**  166.7117.9122.2-85.9170.6000114.8
283S29Very low32.5Very low89 Ų89155.8 Ų155.862%0.62279%0.793SS**  53.6108.6125.5-58.30000124.6
284I34.6Very low32.8Very low157 Ų157157.2 Ų157.281%0.80580%0.802SS**  54.6124.7122.3-53.2159.6000120.1
285R27.3Very low33.8Very low225 Ų225155.2 Ų155.285%0.84980%0.802SS**  161.8134.6106.7-146.8173.7-172.8168.10.2115.6
286L30.9Very low34.5Very low142 Ų142154.6 Ų154.674%0.74381%0.806SS**  trans128.399.4142.7-73.8174.2000119.8
287K28.8Very low34.7Very low193 Ų193153.5 Ų153.584%0.83981%0.808SS**  43.5118.1127.4-70-174.1176.4-178.20123.1
288A30.3Very low34.9Very low88 Ų88151.4 Ų151.473%0.72780%0.803SS**  93.7155.2120.900000120.8
289L33.4Very low35Very low183 Ų183148.5 Ų148.596%0.95880%0.801SS**  trans69.4128.4-165.6-48.1174.4000112.6
290G31.4Very low35Very low66 Ų66150.4 Ų150.468%0.6880%0.801SS**  cis142.31480.800000110.5
291I34.8Very low35.4Very low161 Ų161148.9 Ų148.983%0.82679%0.794SS**  trans87.191.8164.8-52.6176.7000117.8
292Q34Very low35Very low187 Ų187149.7 Ų149.787%0.87480%0.798SS**  trans84.8140.7134.4-62-146.962.600125.3
293R33.9Very low35Very low223 Ų223147.5 Ų147.584%0.84280%0.796SS**  trans-83.2148.6166.8-58.4165.3168.6163.6-6.3107.9
294T36.5Very low35.8Very low137 Ų137150.7 Ų150.784%0.8480%0.804SS**  -179.6169.678.926.40000110.8
295P50.8Low35.8Very low117 Ų117151 Ų15176%0.7681%0.807SS**  trans-107.6173.2-158.741.7-36.9000116.7
296P44.3Very low36.3Very low120 Ų120145.5 Ų145.578%0.77980%0.799SS**  trans-130.1146.7132.234.5-22.1000111.5
297A31.6Very low36.9Very low92 Ų92148.4 Ų148.476%0.7681%0.805SS**  cis89.390.542.300000115.4
298V34.9Very low37.3Very low138 Ų138146.5 Ų146.584%0.83680%0.804SS**  trans46.5114.9142.5-168.70000121.3
299S31.4Very low37.5Very low110 Ų110146 Ų14677%0.76981%0.807SS**  trans-172.6110.2132.2-144.50000109.7
300R35.3Very low37.8Very low205 Ų205143.9 Ų143.977%0.77480%0.802SS**  67.9114.292-86.3-173.6169.4158.6-0.7117.4
301H45.2Very low37.7Very low157 Ų157144.4 Ų144.473%0.72781%0.807SS**  trans49121.3151.4-51-72.9000120.9
302H40.3Very low37.5Very low194 Ų194146.6 Ų146.690%0.89881%0.811SS**  trans-142.6134.7135.3-84.2-46.4000111.8
303S36.5Very low38.1Very low114 Ų114143.2 Ų143.280%0.79781%0.805SS**  trans-85.2141.4166.646.20000109.8
304I44.8Very low38Very low156 Ų156141.5 Ų141.580%0.880%0.804SS**  trans-98.4127.6174.3-74.3165000108.8V306I304-V306 HydrophobicContact CG2-CG2 3.71Å
305D35.8Very low37.6Very low162 Ų162140.1 Ų140.187%0.86680%0.8SS**  trans-122.8125.9170.9-162.69.4000106.6
306V38.2Very low36.5Very low111 Ų111142.1 Ų142.167%0.67380%0.804SS**  trans-109.4124.6-169.51780000109.4I304I304-V306 HydrophobicContact CG2-CG2 3.71Å
307K41.7Very low35.9Very low203 Ų203142.4 Ų142.488%0.88380%0.799SS**  trans-126.7104.4-178.8-174.3175.6-176.6175.80110.2
308D37.6Very low35.8Very low152 Ų152145.9 Ų145.981%0.81380%0.799SS**  trans-74.8144.3173.8-68.5-46.3000111.8
309G35.1Very low35.6Very low77 Ų77146.9 Ų146.979%0.79480%0.798SS**  trans-156.591.7176.900000111.1
310T38.8Very low35.4Very low140 Ų140147.2 Ų147.286%0.85980%0.8SS**PPolyproline II helixtrans-98127.2178.4430000111.4
311G30.1Very low35.1Very low76 Ų76140.2 Ų140.278%0.78479%0.792SS**PPolyproline II helixtrans-98.5146.4178.200000113.5
312F31Very low34.4Very low207 Ų207139.9 Ų139.991%0.90880%0.795SS**PPolyproline II helixtrans-72.5165.1172.7-76.3-95.5000112.9
313P45.4Very low34.2Very low116 Ų116137.6 Ų137.675%0.75379%0.785SS**  -144.6145.698.334.3-17.5000117.4
314K33Very low34.1Very low188 Ų188138 Ų13882%0.81778%0.778SS**  trans31.4114.1134.9-68.7176.5179.3178.20119.2
315S28.5Very low33.6Very low108 Ų108134.5 Ų134.576%0.75577%0.773SS**  78.3120.668.874.30000116.2
316L26.5Very low33.5Very low159 Ų159134.5 Ų134.583%0.83277%0.768SS**  168.5104.6130-170.266.4000114
317D31.4Very low33.3Very low126 Ų126137 Ų13767%0.67477%0.77SS**  trans34.9116.5135.7-59-5.5000125.2
318H30.5Very low32.7Very low165 Ų165137 Ų13776%0.76476%0.764SS**  80.7131.9118.5-81.2-62.5000126.5
319I30.2Very low32.5Very low158 Ų158137.9 Ų137.981%0.8176%0.756SS**  trans110.4136.7137.3-74.7155.3000121.1
320S28.3Very low32.4Very low117 Ų117144.2 Ų144.282%0.81876%0.756SS**  trans74.7135.8170.3-146.90000117.2
321G28.1Very low32Very low59 Ų59140.7 Ų140.761%0.60875%0.747SS**  cis134.6113.1-1.700000112.6
322N31.8Very low32Very low149 Ų149146.2 Ų146.280%0.79776%0.758SS**  trans61.6138.9137.6-99.423000119.7
323E35.8Very low31.9Very low147 Ų147139.4 Ų139.469%0.68775%0.746SS**  cis-141.1-160.4-2.4-60.9-166.513700108.4
324N33.2Very low31.3Very low122 Ų122145.5 Ų145.565%0.65275%0.754SS**  cis-159.6173.92.1-148.1-36.9000111.7
325A34.9Very low31.2Very low83 Ų83145.2 Ų145.269%0.68675%0.753SS**  trans71.7135.5147.300000121.3
326E33.8Very low31.3Very low162 Ų162148 Ų14876%0.75776%0.756SS**  cis-171.8132.1-27.2-139.7-163.4-170.800110.4
327K33.7Very low31.3Very low163 Ų163145.6 Ų145.671%0.70975%0.752SS**  162125.6125.9-94167.6-178.9157.80116
328R29.8Very low31.2Very low202 Ų202149.5 Ų149.576%0.76276%0.759SS**  trans65.9139.1146.5-61179.1171.9-178-2.1117.6
329R33.8Very low31.2Very low171 Ų171148.8 Ų148.865%0.64576%0.761SS**  cis-163.5137.3-4.7-118.6177.6-178.6-170.43.3109.1
330R32.3Very low31.2Very low211 Ų211146 Ų14680%0.79676%0.756SS**  trans40.7130.9152.4-48.4-177.1-134.9-102.510.9119.4
331G29.9Very low31.4Very low66 Ų66145.5 Ų145.568%0.6876%0.758SS**  cis148.8146.8-4.200000112.6
332L30.9Very low31.5Very low191 Ų191147 Ų147100%177%0.765SS**  trans63.8139.1170-53.5165.7000116.3
333G28.9Very low31.5Very low64 Ų64145.8 Ų145.866%0.6677%0.768SS**  cis150.4154.5-5.500000112.2
334R33.2Very low31Very low245 Ų245143.5 Ų143.593%0.92577%0.769SS**  trans74.6134.3173.5-54.5176.5-179.4-133.4-2.3114.6
335K30.1Very low30.9Very low181 Ų181144.9 Ų144.979%0.78778%0.775SS**  cis80.1130.244.2-79.5-161.3175.1-172.70114.2
336M29.5Very low30.7Very low168 Ų168148.9 Ų148.983%0.82878%0.779SS**  trans71.7154.5165.8-45.5-154.3-175.700114.2
337S27.7Very low30.4Very low107 Ų107145.6 Ų145.675%0.74878%0.78SS**  cis-163.7-175.3-10.339.60000108.6
338Y29.5Very low30.2Very low208 Ų208145.6 Ų145.682%0.81679%0.787SS**  trans-37.5149.2150-76.6-111.5000110.9
339D29.2Very low30.2Very low150 Ų150140.4 Ų140.480%0.80278%0.781SS**  -172-177.861.8-146.1-15.7000114.3
340S31.8Very low30.1Very low101 Ų101141.1 Ų141.171%0.70679%0.792SS**  trans81.9103.8150.3-157.90000120.7
341A30.7Very low30.9Very low106 Ų106136.9 Ų136.988%0.87679%0.791SS**  -14387.9120.700000109.2
342A31.5Very low31.1Very low90 Ų90141 Ų14174%0.74480%0.797SS**  trans-78.9128.517000000110.3
343S30.8Very low31.2Very low124 Ų124140.1 Ų140.187%0.86779%0.793SS**  trans-155.788.6147.8-92.70000109
344S27Very low31.3Very low99 Ų99144.7 Ų144.769%0.69280%0.797SS**  trans-58.2153.5155.4175.70000109.7
345L29.4Very low31.2Very low151 Ų151142.3 Ų142.379%0.79180%0.796SS**  trans-173.2120.2132.6-95.7173.8000109.5
346H30.6Very low31.3Very low166 Ų166140.4 Ų140.477%0.76980%0.795SS**  trans27.2148.1136.6-64.3-43000121.7
347A27.7Very low31.3Very low93 Ų93138.3 Ų138.377%0.76980%0.796SS**  cis-163.61757.400000112.6
348L31Very low31.8Very low164 Ų164141.2 Ų141.286%0.85980%0.803SS**  trans-81174.2163.2-78.5158.6000112.3
349S29.5Very low32.9Very low93 Ų93135.6 Ų135.665%0.6579%0.792SS**  trans85.7101.8155.574.50000122.1
350H32.1Very low32.9Very low186 Ų186137.4 Ų137.486%0.86179%0.793SS**  67.5164.1125.5-58.5-45.3000120
351P48.2Very low33.6Very low121 Ų121137.5 Ų137.579%0.78679%0.791SS**  cis-133-176.211.342.8-25000117.3
352N33.1Very low33.6Very low152 Ų152137.8 Ų137.881%0.81379%0.786SS**  trans-64.1155.9170.3-59.7-54.1000113.2
353L33.1Very low33.6Very low173 Ų173142.1 Ų142.191%0.90679%0.791SS**  trans-157.9142.6138.2-111.4166.8000111.8
354H30.8Very low33.7Very low160 Ų160141.8 Ų141.874%0.74179%0.789SS**  trans-73.5154.6178.2-71.1-111.6000112.2
355Q32.9Very low33.7Very low195 Ų195142.5 Ų142.591%0.91179%0.794SS**  -169.1122114.5-104.3170.623.400112.8
356D31.8Very low33.8Very low142 Ų142139.2 Ų139.276%0.75979%0.789SS**  trans-75.6148156.2-61.5-71.7000109.8
357S29.8Very low33.9Very low123 Ų123137.2 Ų137.286%0.8679%0.788SS**  171.9131.9126.4-76.30000113.8
358L36.5Very low34.1Very low168 Ų168139.7 Ų139.788%0.8879%0.788SS**  trans-76.6-162.7176.7-56.9162.3000111.8
359P53.3Low34.3Very low90 Ų90140 Ų14058%0.58479%0.785SS**  cis-133.8-177.7-16.221.24.1000114.2
360F29.6Very low34.3Very low189 Ų189142.4 Ų142.483%0.82979%0.791SS**  167160121.6-86.2-53.3000112.5
361P47.3Very low34.4Very low102 Ų102139.6 Ų139.666%0.66279%0.792SS**  -132.1-180-125.546.3-31.8000117.1
362S30.4Very low34.3Very low112 Ų112139.1 Ų139.178%0.78379%0.792SS**  trans52.3138.3146.6-58.10000120.2
363E30.1Very low34.5Very low181 Ų181139.3 Ų139.385%0.84679%0.793SS**  cis-143156.33.4-54.9-178.9131.100107.3
364S33Very low34.5Very low117 Ų117137.2 Ų137.282%0.81879%0.791SS**  176157.980.840.80000112.4
365S28.2Very low34.9Very low114 Ų114138 Ų13880%0.79780%0.8SS**  trans-46.7166.2178.950.70000119.4
366A31Very low35.4Very low83 Ų83139.9 Ų139.969%0.68680%0.799SS**  cis179.3139.7-20.300000109.3
367V32.7Very low35.9Very low123 Ų123142 Ų14275%0.74580%0.804SS**  trans16.3149.4151.7-76.70000122.2
368D30.9Very low36.6Very low146 Ų146144.5 Ų144.578%0.78181%0.807SS**  cis-154.4150.37-102.4-42.1000108.7
369E35.8Very low37Very low170 Ų170144 Ų14479%0.79481%0.805SS**  trans-145.5154.1172.9-101.7-66.8174.500112.3
370D29.7Very low36.5Very low144 Ų144147.6 Ų147.677%0.7782%0.817SS**  trans-50.2136.8-159.2-76.2-25000118.7
371S33.8Very low37.6Very low126 Ų126144.3 Ų144.388%0.88182%0.818SS**  trans-103.892.1168.546.90000112.2
372S45.4Very low38.4Very low112 Ų112141.8 Ų141.878%0.78380%0.803SS**  trans-106.954.417952.50000113.3
373D37.9Very low39.8Very low156 Ų156143.2 Ų143.283%0.83480%0.801SS**  trans-141.878.4-179.3-114.1-31.4000113.9
374C33.7Very low41.2Very low129 Ų129141.4 Ų141.487%0.87279%0.792SS**  trans-152.128.2168.6-1180000115.8
375L38.3Very low42.6Very low175 Ų175140.1 Ų140.192%0.91678%0.777SS**  trans-112.243.8178.9-71180000113.9
376R43.1Very low44.5Very low236 Ų236138 Ų13889%0.89176%0.759SS**SBendtrans-135.617.8-177.8-91.3-69.7-178160.10.5117.1
377Q42.7Very low46.2Very low186 Ų186137 Ų13787%0.86974%0.744SS**  trans-146.726.4-173.3-113.816044.500118.8
378L44.3Very low47.4Very low175 Ų175135.1 Ų135.192%0.91673%0.73SS**  trans-107.345.5174.8-67.5-179.5000114.6
379N46.7Very low48.9Very low158 Ų158138.2 Ų138.285%0.84573%0.73SS**  trans-130.791165.6-97-20.2000110.2
380I41.1Very low50.1Low165 Ų165138.7 Ų138.785%0.84673%0.725SS**SBendtrans-169134.5144.2-91.2142.8000106.9S382I380-S382 PolarHBondContact O-N 2.9Å
381S52.7Low51.2Low121 Ų121136.5 Ų136.585%0.84671%0.713SS**  trans-82.3105.5-172.351.70000112.9
382S65.3Low52.4Low49 Ų49136.7 Ų136.734%0.34370%0.703SS.*  trans-94.7138.7164.177.50000111.2I380 Q384 N385I380-S382 PolarHBondContact O-N 2.9Å; S382-Q384 PolarHBondContact O-N 2.84Å; S382-N385 PolarHBondContact O-N 2.91Å; S382-N385 VanDerWaalsContact O-N 3.15Å
383L60.3Low52.8Low141 Ų141134.4 Ų134.474%0.73870%0.697SS**Hα-helixtrans-60.3-28.9178.6-150.8157.1000111.3N385 V386 V387L383-N385 PolarHBondContact O-N 3.44Å; L383-V386 WeakPolarHBondContact O-CB 3.32Å; L383-V386 PolarHBondContact O-N 2.89Å; L383-V386 VanDerWaalsContact O-N 3.12Å; L383-V387 HydrophobicContact CD2-CG2 4.08Å; L383-V387 PolarHBondContact O-N 2.93Å; L383-V387 VanDerWaalsContact O-N 3.12Å
384Q58.4Low53.1Low143 Ų143133.9 Ų133.967%0.66869%0.691SS**Hα-helixtrans-61.2-37.6176.9-155.5162.52.300113S382 V386 V387 N388S382-Q384 PolarHBondContact O-N 2.84Å; Q384-V386 VanDerWaalsContact C-N 3.32Å; Q384-V386 PolarHBondContact O-N 3.24Å; Q384-V387 PolarHBondContact O-N 3.33Å; Q384-N388 PolarHBondContact O-N 3.27Å
385N63.3Low53.7Low91 Ų91134.2 Ų134.249%0.48768%0.684SS.*Hα-helixtrans-69.6-28.2174.8-78.4-18.9000113S382 L383 R389S382-N385 PolarHBondContact O-N 2.91Å; S382-N385 VanDerWaalsContact O-N 3.15Å; L383-N385 PolarHBondContact O-N 3.44Å; N385-R389 WeakPolarHBondContact O-CG 3.34Å; N385-R389 PolarHBondContact O-N 3.32Å
386V67.3Low54Low69 Ų69133.9 Ų133.942%0.41868%0.678SS.*Hα-helixtrans-74-38.5175-178.80000111L383 Q384 R390L383-V386 WeakPolarHBondContact O-CB 3.32Å; L383-V386 PolarHBondContact O-N 2.89Å; L383-V386 VanDerWaalsContact O-N 3.12Å; Q384-V386 VanDerWaalsContact C-N 3.32Å; Q384-V386 PolarHBondContact O-N 3.24Å; V386-R390 PolarHBondContact O-N 3.22Å
387V67.2Low53.7Low61 Ų61132.9 Ų132.937%0.3768%0.675SS.*Hα-helixtrans-66.8-47.6175.6175.20000110.9L383 Q384 R389 R390 N391L383-V387 HydrophobicContact CD2-CG2 4.08Å; L383-V387 PolarHBondContact O-N 2.93Å; L383-V387 VanDerWaalsContact O-N 3.12Å; Q384-V387 PolarHBondContact O-N 3.33Å; V387-R389 VanDerWaalsContact C-N 3.33Å; V387-R389 PolarHBondContact O-N 2.78Å; V387-R390 PolarHBondContact O-N 2.82Å; V387-N391 PolarHBondContact O-N 3.17Å
388N58.1Low53.3Low85 Ų85129.8 Ų129.846%0.45567%0.674SS.*Hα-helixtrans-60.1-40.8178.3-76.2-0.1000112.4Q384 R390 N391 I392Q384-N388 PolarHBondContact O-N 3.27Å; N388-R390 VanDerWaalsContact C-N 3.29Å; N388-R390 PolarHBondContact O-N 2.9Å; N388-N391 PolarHBondContact O-N 3.38Å; N388-I392 WeakPolarHBondContact O-CD1 3.45Å; N388-I392 VanDerWaalsContact O-CG1 3.3Å; N388-I392 WeakPolarHBondContact O-CG1 3.42Å; N388-I392 PolarHBondContact O-N 3.46Å; N388-I392 VanDerWaalsContact O-N 3.07Å
389R62.7Low53Low210 Ų210125.8 Ų125.879%0.79266%0.661SS**Hα-helixtrans-63-31.3174.9-77.7-179.9-178.6-99.32.6113.6N385 V387N385-R389 WeakPolarHBondContact O-CG 3.34Å; N385-R389 PolarHBondContact O-N 3.32Å; V387-R389 VanDerWaalsContact C-N 3.33Å; V387-R389 PolarHBondContact O-N 2.78Å
390R59.9Low52.2Low181 Ų181124.2 Ų124.268%0.68365%0.653SS**Hα-helixtrans-75.2-38.4175.3-73.6178.7-179.5144.31.7112.3V386 V387 N388 G393V386-R390 PolarHBondContact O-N 3.22Å; V387-R390 PolarHBondContact O-N 2.82Å; N388-R390 VanDerWaalsContact C-N 3.29Å; N388-R390 PolarHBondContact O-N 2.9Å; R390-G393 PolarHBondContact O-N 2.94Å
391N53.4Low51.9Low97 Ų97122.3 Ų122.352%0.51965%0.654SS.*Hα-helixtrans-69.2-34.7179-68.7-3.5000112.5V387 N388 G393V387-N391 PolarHBondContact O-N 3.17Å; N388-N391 PolarHBondContact O-N 3.38Å; N391-G393 VanDerWaalsContact C-N 3.29Å; N391-G393 PolarHBondContact O-N 3.35Å
392I59.1Low51.2Low131 Ų131123.9 Ų123.967%0.67265%0.648SS**Hα-helixtrans-70.6-25.1177.1-66.3163000112.2N388 M394N388-I392 WeakPolarHBondContact O-CD1 3.45Å; N388-I392 VanDerWaalsContact O-CG1 3.3Å; N388-I392 WeakPolarHBondContact O-CG1 3.42Å; N388-I392 PolarHBondContact O-N 3.46Å; N388-I392 VanDerWaalsContact O-N 3.07Å; I392-M394 VanDerWaalsContact C-N 3.33Å; I392-M394 PolarHBondContact O-N 3.12Å
393G52.6Low49.5Very low63 Ų63128.9 Ų128.965%0.64967%0.67SS**THydrogen-bonded Turntrans-84.56.6-177.300000115.9R390 N391R390-G393 PolarHBondContact O-N 2.94Å; N391-G393 VanDerWaalsContact C-N 3.29Å; N391-G393 PolarHBondContact O-N 3.35Å
394M45Very low48Very low146 Ų146129.5 Ų129.572%0.71967%0.673SS**SBendtrans-103-14.4-166.8-157.9159.364.700115.2I392I392-M394 VanDerWaalsContact C-N 3.33Å; I392-M394 PolarHBondContact O-N 3.12Å
395D45.2Very low46.5Very low135 Ų135130.7 Ų130.772%0.72268%0.679SS**SBendtrans-106.324.7-170.6-64.2-31.9000114.6
396H46.4Very low44.8Very low169 Ų169133.3 Ų133.378%0.78270%0.698SS**  trans-115.454.4-177.9-80.5-120.9000113
397Y36.8Very low43Very low214 Ų214133 Ų13384%0.83971%0.709SS**  trans-152.575.3163.6-143.4-92000114.1
398S34.3Very low40.9Very low121 Ų121134.9 Ų134.985%0.84672%0.724SS**  trans-118.5100.216347.30000109.6
399S37.2Very low39.3Very low92 Ų92141.9 Ų141.964%0.64374%0.744SS**  trans-94.9128.8171.6-58.30000111.1
400D30.1Very low37.6Very low125 Ų125138.8 Ų138.867%0.66874%0.739SS**  120.7119.5125.7-152.59.2000116.2
401S34.4Very low36.1Very low124 Ų124138.8 Ų138.887%0.86774%0.744SS**  trans-168.9129.4153.2-81.10000108.5
402Q37.7Very low35Very low155 Ų155141.2 Ų141.272%0.72476%0.756SS**  trans-97.2159.9-165.8-55.9175.5-10.100112.7
403L29Very low33.7Very low154 Ų154143.7 Ų143.781%0.80677%0.769SS**  trans60.2112.4158.1-62.7167.9000118.2
404L28.9Very low32.7Very low154 Ų154149.9 Ų149.981%0.80678%0.778SS**  176.1144.1104.4-99.7166.4000115
405Q27.7Very low31.8Very low168 Ų168149 Ų14979%0.78579%0.786SS**  trans74.3115.8139.6-144.6149.412.500121.9
406V27.6Very low30.9Very low146 Ų146146.4 Ų146.489%0.88579%0.792SS**  trans-54.6132.2157.7172.10000111
407G28.8Very low29.9Very low63 Ų63142.3 Ų142.365%0.64980%0.795SS**  trans167.171.517000000119.4
408S23.6Very low29.5Very low100 Ų100135.9 Ų135.970%0.69979%0.794SS**  trans60.1155.1134.8-44.30000124.6
409W25.3Very low29.3Very low231 Ų231134.9 Ų134.988%0.87579%0.793SS**  trans82.6106.3154.2-57.2110.8000121
410E27Very low28.9Very low146 Ų146135.3 Ų135.368%0.68280%0.802SS**  trans-32.4170.2150.2-56.2179.813600119.5
411K28.9Very low29Very low180 Ų180134.4 Ų134.478%0.78381%0.806SS**  trans77.5122.7167.7-65.8160.4-177.4159.30113.1
412I29.4Very low28.8Very low149 Ų149135 Ų13576%0.76480%0.795SS**  -148.5127.665.5-76.8144.2000111.9
413L32.3Very low28.6Very low183 Ų183136.2 Ų136.296%0.95879%0.793SS**  trans-134.5121.8137.5-90.9174.5000107.6
414K30.4Very low28.7Very low193 Ų193136 Ų13684%0.83979%0.787SS**  trans-111.3129.1174.9-82.9179.6173.51770108.8
415S26.4Very low28.8Very low126 Ų126137.1 Ų137.188%0.88179%0.785SS**  trans175.295.9144.1-172.90000105.3
416G26.2Very low28.8Very low82 Ų82136.2 Ų136.285%0.84578%0.781SS**  99.2141.286.300000108.2
417G26.2Very low28.7Very low83 Ų83137.2 Ų137.286%0.85678%0.778SS**  cis174147.6-8.700000109.4
418G28Very low28.6Very low78 Ų78140.9 Ų140.980%0.80478%0.783SS**  trans112.7143.5167.200000117.5
419A29.5Very low29Very low101 Ų101139.6 Ų139.684%0.83577%0.774SS**  trans52.6111167.700000118
420A28.8Very low29.4Very low101 Ų101139.8 Ų139.884%0.83578%0.775SS**  cis86.9134.43500000116.2
421S33.3Very low29.6Very low106 Ų106140 Ų14074%0.74178%0.775SS**  trans71.899.5170-86.60000121.5
422E30.7Very low29.8Very low135 Ų135140 Ų14063%0.63178%0.776SS**  67.3128.1107.3-76.8-160.4120.500122.9
423R32.1Very low30Very low181 Ų181137.8 Ų137.868%0.68377%0.769SS**  trans92.7118.1132-78.7176-154.8-17617.5121.3
424H30.6Very low29.9Very low149 Ų149136.8 Ų136.869%0.6976%0.764SS**  87.9126.7127.9-76.7-44.5000121.7
425K31.7Very low29.7Very low178 Ų178131.8 Ų131.877%0.77475%0.753SS**  trans73.3156.6145.4-68.6175.8178.6-179.10117.6
426Q27.5Very low29.9Very low150 Ų150133.8 Ų133.870%0.70175%0.749SS**  cis-173.4151-31.3-162.2161.1-5.200106.6
427M26.7Very low30.2Very low167 Ų167136.2 Ų136.282%0.82375%0.747SS**  trans67.9153178-61.9136.168.100114.3
428N27Very low30.6Very low139 Ų139140.3 Ų140.374%0.74375%0.746SS**  cis-144.8162.719.9-154.7-14000113.5
429S30.1Very low30.6Very low74 Ų74139.8 Ų139.852%0.51774%0.741SS.*  trans-26.6155.7171.4570000118.5
430R33.8Very low30.6Very low235 Ų235139.9 Ų139.989%0.88774%0.736SS**  cis-151.9122.647.6-68170.3177.6158.5-1.8116.4
431H31.9Very low30.7Very low150 Ų150143.4 Ų143.469%0.69474%0.74SS**  trans-4.7128.1137.7-63.6-51.8000119.5
432F33.6Very low30.6Very low180 Ų180146 Ų14679%0.78974%0.74SS**  94.6158.690.1-85-50.4000113
433T32.2Very low30.7Very low102 Ų102147.3 Ų147.363%0.62675%0.75SS**  cis-145.6164.96.8-6.40000108.3
434L30.3Very low30.5Very low163 Ų163147.9 Ų147.985%0.85376%0.757SS**  -155.9125.265.7-70.4158.2000107.1
435S27.5Very low30.6Very low87 Ų87146.9 Ų146.961%0.60876%0.762SS**  56.295.561.4-153.10000112
436E30.3Very low31.1Very low169 Ų169143.8 Ų143.879%0.7976%0.759SS**  55.3126.970.1-71.6-161.1146.700115.6
437T32.4Very low31.4Very low133 Ų133148.7 Ų148.782%0.81677%0.772SS**  161.4163.5124.837.30000110.7
438M33.8Very low31.6Very low168 Ų168152.7 Ų152.783%0.82878%0.778SS**  cis-176.8166.2-48.6-108.7-70.5-93.400108.2
439G28.9Very low31.7Very low68 Ų68149.6 Ų149.670%0.70178%0.779SS**  trans118.5100.7171.200000113.3
440S29.3Very low31.9Very low103 Ų103151.2 Ų151.272%0.7280%0.796SS**  cis81111.831.7-160.20000115.4
441L30.6Very low32Very low175 Ų175145.1 Ų145.192%0.91680%0.796SS**  trans-158.2137.8145.2-117159.3000109.2
442E30.6Very low32.2Very low159 Ų159141.3 Ų141.374%0.74380%0.798SS**  trans-86.7167.8-169.5-54.4-171.3150.200114
443I33Very low32.4Very low164 Ų164139.7 Ų139.784%0.84180%0.797SS**  179.3141.2119-89.4154000111.5
444F28.1Very low32.6Very low192 Ų192142.5 Ų142.584%0.84280%0.8SS**  trans-75.3134.4177.9-92.7-111.9000114.5
445V33.8Very low32.9Very low129 Ų129145.5 Ų145.578%0.78280%0.8SS**  trans-152.8132.9141.1-177.30000109.9
446P41.4Very low33.7Very low112 Ų112153.3 Ų153.373%0.72782%0.816SS**  trans-91.7136.1175.434.5-32.1000112.9
447R33.3Very low33.9Very low253 Ų253148.6 Ų148.696%0.95581%0.813SS**  trans-150.5148.5160.4-112.1173.6-170.4-169.72.2113
448R31.9Very low34.4Very low252 Ų252148.3 Ų148.395%0.95182%0.817SS**  trans-82.7147.1-168.1-56172.6-175.8172.7-0.1112.7
449G29.6Very low34.5Very low74 Ų74144.4 Ų144.476%0.76382%0.819SS**  trans92.5115.7130.400000119.4
450A33.8Very low35.1Very low107 Ų107145.7 Ų145.788%0.88482%0.823SS**  trans46.1112.2143.900000120
451A35.8Very low35.7Very low107 Ų107148.3 Ų148.388%0.88483%0.828SS**  trans-78.8138.9167.300000112.7
452G35.8Very low36Very low71 Ų71146.8 Ų146.873%0.73282%0.82SS**  trans-72.1166160.500000111.2
453L38.2Very low36.4Very low146 Ų146146.1 Ų146.176%0.76482%0.821SS**  cis120.810329.1-173.577.4000109.1
454K36.5Very low36.6Very low161 Ų161143.4 Ų143.470%0.781%0.808SS**  trans76.1119.5153.1-70.5171.6-177.8171.10122.5
455R37Very low37Very low226 Ų226144.5 Ų144.585%0.85381%0.807SS**  59.3121.7124.8-62.4-176.3-177.9-166.40.7121.2
456R44.3Very low37.5Very low250 Ų250145.7 Ų145.794%0.94381%0.807SS**  -149.4146.1104.3-72.7-171.3-177-172.8-1.2105.7
457G34.5Very low37.4Very low70 Ų70145 Ų14572%0.72281%0.811SS**  cis86.2125.224.700000110
458S41.8Very low38.1Very low128 Ų128141.4 Ų141.490%0.89580%0.804SS**  cis-172.8148.2-6.7380000106.9
459G36.3Very low38.6Very low86 Ų86136.1 Ų136.189%0.88780%0.801SS**  trans-161.564.9-17600000114.3
460A41.9Very low39Very low95 Ų95143.8 Ų143.879%0.78581%0.806SS**  trans-136.4129.2171.200000110
461L41.5Very low39.5Very low157 Ų157145 Ų14582%0.82281%0.805SS**  trans-127.4120.8170.4-62.7173.5000104.8
462L37.7Very low40.1Very low143 Ų143143.1 Ų143.175%0.74980%0.796SS**  54.7122.486.6-66.6172.1000111.5
463L39Very low40.7Very low146 Ų146149.6 Ų149.676%0.76481%0.805SS**  cis-151.7-179.82.9-85.8155.9000107.1
464D35.9Very low41.3Very low106 Ų106150.6 Ų150.657%0.56781%0.81SS**  cis-153.7178.67.9-154.2-4.3000111.4
465R36.9Very low42.3Very low216 Ų216148 Ų14882%0.81581%0.81SS**  trans52.183.1150.7-73.8163.6-153.3-124.4-2.5120.7
466I44.4Very low42.9Very low153 Ų153143.3 Ų143.379%0.78581%0.808SS**  trans-86.8134.3141.5-63.8169.1000108.7
467A39.4Very low43Very low97 Ų97139.7 Ų139.780%0.80281%0.807SS**  trans-137.771.9164.300000110.9
468H47.3Very low43.4Very low178 Ų178143.7 Ų143.782%0.82481%0.812SS**PPolyproline II helixtrans-79.3134.5163.5-78.259.4000109.3
469T41.9Very low43.9Very low142 Ų142141.7 Ų141.787%0.87180%0.795SS**PPolyproline II helixtrans-76.4127.5-169.441.60000112.6
470R38.3Very low44.1Very low234 Ų234146.4 Ų146.488%0.88379%0.794SS**PPolyproline II helixtrans-80.9145.1157.9-92.2-173.6171.5-169.9-1.6109.5
471P44.5Very low44.2Very low132 Ų132146.1 Ų146.186%0.85779%0.791SS**THydrogen-bonded Turntrans-69.9130.8173.529.8-33.5000110.3
472G48.8Very low44.3Very low68 Ų68144.7 Ų144.770%0.70179%0.792SS**THydrogen-bonded Turntrans140.4-7.8167.700000118.1
473F48.4Very low44.5Very low207 Ų207145.2 Ų145.291%0.90879%0.794SS**  trans-135.5133.8178.3-74-85000112.5
474L51.8Low44.6Very low168 Ų168143.4 Ų143.488%0.8879%0.791SS**PPolyproline II helixtrans-72.7142.5173.1-82.1158.4000110.6
475P55.8Low44.7Very low106 Ų106146.3 Ų146.369%0.68881%0.806SS**PPolyproline II helixtrans-72152.1173.831.3-34.4000111.4
476P50.2Low44.6Very low127 Ų127143.3 Ų143.383%0.82581%0.805SS**PPolyproline II helixtrans-72.2139.8-178.329.8-34.6000112
477L47Very low44Very low174 Ų174147.2 Ų147.291%0.91181%0.809SS**PPolyproline II helixtrans-70.1127.3170.4-69.5169.3000109.8P479L477-P479 WeakPolarHBondContact O-CD 3.37Å
478N41.6Very low43.6Very low155 Ų155146.8 Ų146.883%0.82981%0.806SS**PPolyproline II helixtrans-86.2120.5178.4-148.423.2000109.4
479P52.9Low43.1Very low85 Ų85143.3 Ų143.355%0.55280%0.802SS**PPolyproline II helixtrans-72.7162.4165.432.4-32.5000109.9L477L477-P479 WeakPolarHBondContact O-CD 3.37Å
480H40.8Very low43.1Very low186 Ų186142.2 Ų142.286%0.86180%0.797SS**  trans81.377.4-179.5-46.5-68.9000116.7
481A43.2Very low42.8Very low88 Ų88136.7 Ų136.773%0.72780%0.795SS**  trans-123.1136.6133.800000107.8
482P44.2Very low42.2Very low128 Ų128140 Ų14083%0.83180%0.796SS**PPolyproline II helixtrans-74.9134.3178.130-32.9000110.8
483I42.1Very low41.4Very low154 Ų154140.9 Ų140.979%0.7979%0.791SS**PPolyproline II helixtrans-83.5136.6176.5-59.8171000108.5
484P41.8Very low40.6Very low107 Ų107141.2 Ų141.270%0.69579%0.793SS**PPolyproline II helixtrans-74.3128173.729.3-33.3000111.8I486P484-I486 PolarHBondContact O-N 3.2Å
485D36.5Very low39.5Very low167 Ų167138.2 Ų138.289%0.89379%0.786SS**  trans-66.3114.9177-77.8-50000112.5
486I36.2Very low38.2Very low153 Ų153139.9 Ų139.979%0.78580%0.799SS**  trans-131.686.3165.2-54.1-177.1000110.8P484P484-I486 PolarHBondContact O-N 3.2Å
487R31Very low37.3Very low235 Ų235139.9 Ų139.989%0.88780%0.802SS**  trans49.5108.5133.6-154.3178.2-155.8168.56.7118.8
488A31.9Very low36.5Very low89 Ų89135.4 Ų135.474%0.73680%0.798SS**  trans-69.4132.4160.100000112.2
489S36.6Very low36Very low105 Ų105131.2 Ų131.273%0.73479%0.79SS**  trans35.6139.3138.471.80000120.5
490P41Very low35.1Very low119 Ų119135.4 Ų135.477%0.77381%0.808SS**  -133.8147.467.936.6-23.4000115.5
491S33.1Very low34.7Very low118 Ų118129.9 Ų129.983%0.82580%0.801SS**PPolyproline II helixtrans-82.6128.3166.934.10000110.6
492F31.6Very low34.2Very low200 Ų200132.1 Ų132.188%0.87781%0.806SS**PPolyproline II helixtrans-78.3138.1164.2-109.2-92.5000110.1
493S31.2Very low33.9Very low87 Ų87132.9 Ų132.961%0.60880%0.802SS**PPolyproline II helixtrans-77.8142.1178.952.10000112.7
494F31.6Very low33.6Very low214 Ų214131.9 Ų131.994%0.93980%0.804SS**  trans-140.4138.1136.5-94.8-70.5000111.1
495S28.9Very low33.3Very low105 Ų105130.6 Ų130.673%0.73481%0.81SS**  trans-100.9141.7-169.1-50.30000111.5
496C29.8Very low33.6Very low142 Ų142127.9 Ų127.996%0.95980%0.803SS**  trans-127104.7150.2-79.50000107.5
497S30.5Very low33.8Very low127 Ų127130.4 Ų130.489%0.88881%0.809SS**  trans-96.5141.4178.2-178.60000110.2
498G29.7Very low34Very low80 Ų80124.8 Ų124.883%0.82581%0.806SS**  trans-172.983.8177.700000113.8
499G31.2Very low34.2Very low66 Ų66127.1 Ų127.168%0.6881%0.811SS**  trans106.5105.4158.100000117.5
500N33.9Very low34.6Very low174 Ų174129.9 Ų129.993%0.9382%0.816SS**  trans14.4132.7136.2-45-16.2000117.4
501G31.8Very low34.7Very low69 Ų69130.3 Ų130.371%0.71182%0.819SS**  cis137.8163.613.800000110.2
502V34.4Very low34.9Very low136 Ų136130.2 Ų130.282%0.82482%0.818SS**  trans86.896.8164.5-1710000119.1
503L36.1Very low35Very low144 Ų144127.2 Ų127.275%0.75482%0.816SS**  trans75.1111.6133.1-60.5177.1000124.7
504T37.2Very low35.5Very low133 Ų133128.9 Ų128.982%0.81683%0.825SS**  51.4129.3126.5650000122.5
505G34.3Very low35.6Very low80 Ų80123.5 Ų123.583%0.82582%0.82SS**  trans175.780.8160.400000114.3
506S43.1Very low35.8Very low109 Ų109124.2 Ų124.276%0.76282%0.823SS**  trans-73.8141.2176.253.70000112.9
507K40.5Very low36.7Very low206 Ų206123 Ų12390%0.89681%0.814SS**  -178.4137.4129.1-97.8154.7-170179.20113
508S34.8Very low37Very low117 Ų117125.8 Ų125.882%0.81881%0.813SS**  trans-100.9127.3175.450.90000110.9
509V37.3Very low37.4Very low139 Ų139128.5 Ų128.584%0.84281%0.808SS**  trans-144.6131.5165.3-1730000110.2
510L44.8Very low38.1Very low162 Ų162133.2 Ų133.285%0.84882%0.817SS**PPolyproline II helixtrans-77.6144.4172.8-71.8148.5000111.4
511P43.8Very low39Very low128 Ų128134.2 Ų134.283%0.83181%0.813SS**PPolyproline II helixtrans-86.8125.8161.232.3-28.7000111
512S36.5Very low39.7Very low116 Ų116137.9 Ų137.981%0.81182%0.815SS**PPolyproline II helixtrans-83.4155.9175.745.90000113
513V32.8Very low40.4Very low137 Ų137140.5 Ų140.583%0.8382%0.815SS**PPolyproline II helixtrans-67.8135.1179.5177.40000111.4
514P42.6Very low40.9Very low122 Ų122142.9 Ų142.979%0.79282%0.819SS**PPolyproline II helixtrans-78138.7175.331-33.9000112.4
515A34.3Very low41.7Very low101 Ų101142.8 Ų142.884%0.83581%0.812SS**PPolyproline II helixtrans-81.6151.917900000113.2
516C32.6Very low42.1Very low120 Ų120147.2 Ų147.281%0.81182%0.815SS**PPolyproline II helixtrans-91.5136.2176-170.10000111.2
517P47.8Very low42.3Very low117 Ų117152.1 Ų152.176%0.7682%0.817SS**PPolyproline II helixtrans-88.5154.217234.3-32.5000113.1
518Q38.2Very low43Very low186 Ų186152.7 Ų152.787%0.86981%0.814SS**PPolyproline II helixtrans-86.6148.6-168.1-67.9169.8-43.500115.5
519D37.3Very low43.8Very low136 Ų136159 Ų15973%0.72782%0.82SS**  trans20.5114.2148.2-73.3-18.7000120.9
520L46.4Very low44.4Very low165 Ų165158.6 Ų158.686%0.86481%0.808SS**  trans-119.9115.8143.4-74.5176000110I522L520-I522 PolarHBondContact O-N 3.44Å
521K52.7Low44.9Very low195 Ų195154 Ų15485%0.84879%0.79SS**  trans-74.879.2-174.6-68.6177-179.7172.50112.4K523K521-K523 PolarHBondContact O-N 3.38Å
522I45.9Very low45.3Very low146 Ų146154.1 Ų154.175%0.74978%0.781SS**  trans-82112.1167.7-59.3177000108.9L520 K524L520-I522 PolarHBondContact O-N 3.44Å; I522-K524 VanDerWaalsContact C-N 3.31Å; I522-K524 PolarHBondContact O-N 3.15Å
523K50.1Low46.3Very low192 Ų192154.9 Ų154.984%0.83577%0.771SS**  trans-67.882.2179.1-169.6179.1-177-178.50110.5K521 M525K521-K523 PolarHBondContact O-N 3.38Å; K523-M525 PolarHBondContact O-N 3.33Å
524K46.3Very low47.4Very low193 Ų193150.9 Ų150.984%0.83975%0.75SS**  trans-62.894.9172.8-76.1-174.9176.3177.30109.9I522 L526I522-K524 VanDerWaalsContact C-N 3.31Å; I522-K524 PolarHBondContact O-N 3.15Å; K524-L526 PolarHBondContact O-N 2.99Å
525M53.2Low48.2Very low132 Ų132150.8 Ų150.865%0.6574%0.739SS**  trans-62.2119.2164.4-74.9171.857.500108.3K523 W527K523-M525 PolarHBondContact O-N 3.33Å; M525-W527 VanDerWaalsContact C-N 3.3Å; M525-W527 PolarHBondContact O-N 3.01Å
526L42.8Very low49.4Very low172 Ų172151.1 Ų151.190%0.90172%0.723SS**  trans-67.692.6168.2-82.8163.7000108.2K524 R528K524-L526 PolarHBondContact O-N 2.99Å; L526-R528 PolarHBondContact O-N 3.45Å
527W48.5Very low50.8Low213 Ų213150.7 Ų150.781%0.80771%0.711SS**  trans-58.9107.8163.6-70.4101000107.8M525 R529M525-W527 VanDerWaalsContact C-N 3.3Å; M525-W527 PolarHBondContact O-N 3.01Å; W527-R529 PolarHBondContact O-N 3.15Å
528R53.7Low51.3Low217 Ų217152.7 Ų152.782%0.81971%0.708SS**  trans-53.7133.3164.9-74.5-178.3171.3128.1-4.1106.6L526 H530L526-R528 PolarHBondContact O-N 3.45Å; R528-H530 PolarHBondContact O-CD2 3.45Å; R528-H530 VanDerWaalsContact O-CD2 3.32Å; R528-H530 PolarHBondContact O-N 3.07Å
529R51.4Low52.2Low251 Ų251150.5 Ų150.595%0.94770%0.698SS**  trans-64.591171.6-73-178.5172.5-179.7-2.9107.7W527 S531W527-R529 PolarHBondContact O-N 3.15Å; R529-S531 PolarHBondContact O-N 3.44Å
530H50Low53.1Low130 Ų130150.1 Ų150.160%0.60270%0.695SS**  trans-59.2125.1166.3-77.3-89.2000107R528 M532R528-H530 PolarHBondContact O-CD2 3.45Å; R528-H530 VanDerWaalsContact O-CD2 3.32Å; R528-H530 PolarHBondContact O-N 3.07Å; H530-M532 PolarHBondContact O-N 2.84Å
531S56.9Low53.6Low66 Ų66145.1 Ų145.146%0.46268%0.678SS.*  trans-62.9123.1172.6179.90000107.7R529 Q533 S534R529-S531 PolarHBondContact O-N 3.44Å; S531-Q533 PolarHBondContact O-N 3.4Å; S531-Q533 WeakPolarHBondContact OG-CB 3.22Å; S531-S534 PolarHBondContact O-N 3.09Å; S531-S534 PolarHBondContact O-OG 3.36Å
532M52Low53.6Low130 Ų130138.8 Ų138.864%0.6466%0.658SS**Hα-helixtrans-45.9-30174-75.8-67.7-58.400112.4H530 S534 E535 Q536H530-M532 PolarHBondContact O-N 2.84Å; M532-S534 VanDerWaalsContact C-N 3.29Å; M532-S534 PolarHBondContact O-N 3.01Å; M532-E535 PolarHBondContact O-N 3.03Å; M532-Q536 WeakPolarHBondContact O-CG 3.37Å; M532-Q536 PolarHBondContact O-N 3.29Å; M532-Q536 VanDerWaalsContact O-N 3.17Å
533Q57Low54Low131 Ų131138.7 Ų138.761%0.61265%0.652SS**Hα-helixtrans-60-33.9178.6-148.5168.68.400113.2S531 I537S531-Q533 PolarHBondContact O-N 3.4Å; S531-Q533 WeakPolarHBondContact OG-CB 3.22Å; Q533-I537 WeakPolarHBondContact O-CD1 3.41Å; Q533-I537 VanDerWaalsContact O-CG1 3.22Å; Q533-I537 WeakPolarHBondContact O-CG1 3.45Å; Q533-I537 PolarHBondContact O-N 3.36Å; Q533-I537 VanDerWaalsContact O-N 3.07Å
534S56.7Low54.1Low54 Ų54140.1 Ų140.138%0.37865%0.653SS.*Hα-helixtrans-77.4-26.3-178.362.10000114.1S531 M532 K538S531-S534 PolarHBondContact O-N 3.09Å; S531-S534 PolarHBondContact O-OG 3.36Å; M532-S534 VanDerWaalsContact C-N 3.29Å; M532-S534 PolarHBondContact O-N 3.01Å; S534-K538 PolarHBondContact O-N 3.06Å
535E58.3Low54.5Low120 Ų120139 Ų13956%0.56165%0.651SS**Hα-helixtrans-80.3-37.6171-68-172.7156.500111.4M532 I537 K538 Q539M532-E535 PolarHBondContact O-N 3.03Å; E535-I537 VanDerWaalsContact C-N 3.34Å; E535-I537 PolarHBondContact O-N 3.36Å; E535-K538 PolarHBondContact O-N 3Å; E535-K538 VanDerWaalsContact O-N 3.15Å; E535-Q539 PolarHBondContact O-N 3.16Å
536Q59.7Low54.5Low108 Ų108137.8 Ų137.851%0.50565%0.651SS.*Hα-helixtrans-60-41.8173.3-73175.9-26.700112.2M532 K538 Q539 L540M532-Q536 WeakPolarHBondContact O-CG 3.37Å; M532-Q536 PolarHBondContact O-N 3.29Å; M532-Q536 VanDerWaalsContact O-N 3.17Å; Q536-K538 VanDerWaalsContact C-N 3.33Å; Q536-K538 PolarHBondContact O-N 3.35Å; Q536-Q539 PolarHBondContact O-N 3.29Å; Q536-L540 WeakPolarHBondContact O-CG 3.43Å; Q536-L540 PolarHBondContact O-N 3.38Å; Q536-L540 VanDerWaalsContact O-N 3.09Å
537I62.1Low54.8Low110 Ų110136.5 Ų136.556%0.56464%0.644SS**Hα-helixtrans-63.7-37.4175.2-69.4163.3000111.4Q533 E535 L540 A541Q533-I537 WeakPolarHBondContact O-CD1 3.41Å; Q533-I537 VanDerWaalsContact O-CG1 3.22Å; Q533-I537 WeakPolarHBondContact O-CG1 3.45Å; Q533-I537 PolarHBondContact O-N 3.36Å; Q533-I537 VanDerWaalsContact O-N 3.07Å; E535-I537 VanDerWaalsContact C-N 3.34Å; E535-I537 PolarHBondContact O-N 3.36Å; I537-L540 PolarHBondContact O-N 3.23Å; I537-A541 PolarHBondContact O-N 3.27Å
538K58.7Low55Low159 Ų159129.1 Ų129.169%0.69163%0.634SS**Hα-helixtrans-66.4-40.1175.5-77.6-177.3174.9-174.90112.9S534 E535 Q536 L540 A541 S542S534-K538 PolarHBondContact O-N 3.06Å; E535-K538 PolarHBondContact O-N 3Å; E535-K538 VanDerWaalsContact O-N 3.15Å; Q536-K538 VanDerWaalsContact C-N 3.33Å; Q536-K538 PolarHBondContact O-N 3.35Å; K538-L540 VanDerWaalsContact C-N 3.33Å; K538-L540 PolarHBondContact O-N 3.38Å; K538-A541 PolarHBondContact O-N 3.12Å; K538-S542 PolarHBondContact O-N 3.21Å; K538-S542 VanDerWaalsContact O-N 3.16Å; K538-S542 PolarHBondContact O-OG 3.31Å
539Q55.8Low54.5Low141 Ų141130.5 Ų130.566%0.65966%0.657SS**Hα-helixtrans-66.8-33.8176-71.7-170.1-15.600112.7E535 Q536 S542 F543E535-Q539 PolarHBondContact O-N 3.16Å; Q536-Q539 PolarHBondContact O-N 3.29Å; Q539-S542 WeakPolarHBondContact CA-OG 3.3Å; Q539-S542 PolarHBondContact O-OG 3.49Å; Q539-F543 PolarHBondContact O-N 3.48Å
540L57.1Low54.6Low127 Ų127124.5 Ų124.567%0.66564%0.643SS**Hα-helixtrans-71.1-33.4173.6-69.3171.4000112.6Q536 I537 K538 F543Q536-L540 WeakPolarHBondContact O-CG 3.43Å; Q536-L540 PolarHBondContact O-N 3.38Å; Q536-L540 VanDerWaalsContact O-N 3.09Å; I537-L540 PolarHBondContact O-N 3.23Å; K538-L540 VanDerWaalsContact C-N 3.33Å; K538-L540 PolarHBondContact O-N 3.38Å; L540-F543 PolarHBondContact O-N 3.42Å
541A56Low54.9Low61 Ų61124.2 Ų124.250%0.50465%0.645SS.*Hα-helixtrans-64.3-46.3173.800000111.8I537 K538 F543 R544I537-A541 PolarHBondContact O-N 3.27Å; K538-A541 PolarHBondContact O-N 3.12Å; A541-F543 PolarHBondContact O-N 3.07Å; A541-R544 PolarHBondContact O-N 3.4Å; A541-R544 VanDerWaalsContact O-N 3.11Å
542S54Low54.8Low61 Ų61127.4 Ų127.443%0.42766%0.655SS.*Hα-helixtrans-62.2-2617746.80000113.9K538 Q539 R544 E545K538-S542 PolarHBondContact O-N 3.21Å; K538-S542 VanDerWaalsContact O-N 3.16Å; K538-S542 PolarHBondContact O-OG 3.31Å; Q539-S542 WeakPolarHBondContact CA-OG 3.3Å; Q539-S542 PolarHBondContact O-OG 3.49Å; S542-R544 VanDerWaalsContact C-N 3.25Å; S542-R544 PolarHBondContact O-N 3.11Å; S542-E545 PolarHBondContact O-N 3.22Å
543F53.9Low54.9Low145 Ų145127.2 Ų127.264%0.63666%0.656SS**Hα-helixtrans-71.5-18.3177.4-119.3-85.1000113.7Q539 L540 A541 T546Q539-F543 PolarHBondContact O-N 3.48Å; L540-F543 PolarHBondContact O-N 3.42Å; A541-F543 PolarHBondContact O-N 3.07Å; F543-T546 PolarHBondContact O-OG1 3.45Å
544R51.6Low54.8Low222 Ų222127 Ų12784%0.83866%0.659SS**Hα-helixtrans-84.3-21.8179.1-156.4176.8-170.7-1671.5113A541 S542A541-R544 PolarHBondContact O-N 3.4Å; A541-R544 VanDerWaalsContact O-N 3.11Å; S542-R544 VanDerWaalsContact C-N 3.25Å; S542-R544 PolarHBondContact O-N 3.11Å
545E55.3Low54.7Low170 Ų170131.9 Ų131.979%0.79468%0.677SS**Hα-helixtrans-82.5-19.7176-67.4-179.8150.300112.6S542S542-E545 PolarHBondContact O-N 3.22Å
546T52.8Low54.4Low106 Ų106132.7 Ų132.765%0.6569%0.686SS**THydrogen-bonded Turntrans-91.62.1-178.654.40000115.3F543F543-T546 PolarHBondContact O-OG1 3.45Å
547L50.2Low54Low145 Ų145134.6 Ų134.676%0.75970%0.7SS**THydrogen-bonded Turntrans-128.117.6-178.3-98.6161.3000113.4
548G51.8Low53.3Low58 Ų58136.7 Ų136.760%0.59871%0.711SS**  trans-101.681.1168.200000111.6
549N43.1Very low52.9Low245 Ų245134.6 Ų134.6100%1.3171%0.713SS**  trans-161.20159.6-91.3-31.8000108.9

Retrieved 549 of 549 residues in 242.5 ms (Link to these results)

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