A0A077ZDQ6_TRITR Loading...

Thioredoxin and ATP-synt ab and Rho N and Rho RNA bind domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDQ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 532 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
1M46.4Very low82.4Confident204 Ų20486.3 Ų86.3100%1.00545%0.446SS*.  0127.60-68.1179.8-159.600105.5D3M1-D3 PolarHBondContact O-N 3.3Å
2S52.9Low83.4Confident28 Ų2881.2 Ų81.220%0.19642%0.423CS..  trans-63.3130175176.30000108.6K4 I5 D44S2-K4 PolarHBondContact O-N 3.11Å; S2-K4 WeakPolarHBondContact OG-CB 3.2Å; S2-K4 PolarHBondContact OG-N 3.44Å; S2-I5 PolarHBondContact O-N 2.72Å; S2-D44 VanDerWaalsContact CB-OD1 3.32Å; S2-D44 WeakPolarHBondContact CB-OD1 3.26Å; S2-D44 PolarHBondContact N-OD1 3.36Å; S2-D44 VanDerWaalsContact N-OD1 3.1Å
3D68.5Low84.2Confident178 Ų17875.5 Ų75.595%0.95239%0.393SS*.THydrogen-bonded Turntrans-61.90.4172.2-88.4-14.2000112.5M1M1-D3 PolarHBondContact O-N 3.3Å
4K81.7Confident84.7Confident81 Ų8174.9 Ų74.935%0.35239%0.391SS..THydrogen-bonded Turntrans-97-7-178.7-54.9-173.6-168.3161.90114.6S2 A47 D48S2-K4 PolarHBondContact O-N 3.11Å; S2-K4 WeakPolarHBondContact OG-CB 3.2Å; S2-K4 PolarHBondContact OG-N 3.44Å; K4-A47 HydrophobicContact CB-CB 4.4Å; K4-D48 VanDerWaalsContact CD-OD1 3.26Å; K4-D48 WeakPolarHBondContact CD-OD1 3.34Å; K4-D48 WeakPolarHBondContact CE-OD1 3.37Å; K4-D48 IonicContact NZ-OD1 2.63Å; K4-D48 PolarHBondContact NZ-OD1 2.87Å
5I90.2Very high85.2Confident16 Ų1675.5 Ų75.58%0.08240%0.399CS..EExtended strand (participates in β ladder)trans-87.4125.1174.9-62-173.4000109.7S2 D44 A47 V56 K58S2-I5 PolarHBondContact O-N 2.72Å; I5-D44 WeakPolarHBondContact CD1-OD1 3.28Å; I5-A47 HydrophobicContact CG1-CB 4.18Å; I5-V56 WeakPolarHBondContact CA-O 3.36Å; I5-V56 HydrophobicContact CG1-CG1 4.42Å; I5-K58 HydrophobicContact CG2-CB 4.14Å; I5-K58 HydrophobicContact CG2-CD 4.04Å; I5-K58 HydrophobicContact CG2-CG 3.94Å
6I92.8Very high85.7Confident68 Ų6874.4 Ų74.435%0.34939%0.394SS..EExtended strand (participates in β ladder)trans-82.4129.8174.2-56.4-176.7000109.3L8 T55 V56 A57 K58I6-L8 HydrophobicContact CG2-CD2 4.06Å; I6-T55 HydrophobicContact CD1-CG2 3.4Å; I6-T55 HydrophobicContact CG1-CG2 4.01Å; I6-V56 PolarHBondContact N-O 2.99Å; I6-A57 HydrophobicContact CB-CB 4.15Å; I6-A57 CarbonylContact O-C 3.27Å; I6-A57 WeakPolarHBondContact O-CA 3.43Å; I6-K58 PolarHBondContact O-N 2.94Å
7H94.7Very high86.1Confident110 Ų11070.1 Ų70.151%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-95.1115.8172.7-73.4-84.9000109.7
8L95.7Very high86.3Confident6 Ų669.3 Ų69.33%0.03137%0.367CS..EExtended strand (participates in β ladder)trans-90.8147.2-176.8-61.3172.3000111.1I6 F13 D16 V17 V26 A57 K58 L59I6-L8 HydrophobicContact CG2-CD2 4.06Å; L8-F13 HydrophobicContact CD1-CD2 3.87Å; L8-F13 HydrophobicContact CD1-CE2 4Å; L8-D16 HydrophobicContact CD2-CB 3.53Å; L8-V17 HydrophobicContact CD1-CG2 3.55Å; L8-V17 HydrophobicContact CD2-CG2 3.92Å; L8-V17 HydrophobicContact CG-CG2 4.41Å; L8-V26 HydrophobicContact CD1-CG1 3.83Å; L8-V26 HydrophobicContact CD1-CG2 3.91Å; L8-A57 HydrophobicContact CD1-CB 3.64Å; L8-A57 HydrophobicContact CD2-CB 4.37Å; L8-A57 HydrophobicContact CG-CB 3.87Å; L8-K58 PolarHBondContact N-O 3.09Å; L8-L59 HydrophobicContact CB-CB 4.23Å; L8-L59 HydrophobicContact CB-CD1 4.06Å
9T95.6Very high86.5Confident61 Ų6173.1 Ų73.137%0.37438%0.38SS..  trans-116.4168.1165.267.50000111D11 S12 F13 N64T9-D11 PolarHBondContact O-N 2.69Å; T9-D11 PolarHBondContact OG1-N 3.27Å; T9-S12 PolarHBondContact N-OG 3.27Å; T9-S12 VanDerWaalsContact N-OG 3.16Å; T9-S12 PolarHBondContact O-N 2.57Å; T9-S12 PolarHBondContact OG1-N 2.98Å; T9-S12 VanDerWaalsContact OG1-N 3.16Å; T9-F13 PolarHBondContact O-N 3.39Å; T9-F13 VanDerWaalsContact O-N 3.08Å; T9-N64 WeakPolarHBondContact CA-OD1 3.26Å; T9-N64 WeakPolarHBondContact CB-OD1 3.46Å
10D93.6Very high86.3Confident47 Ų4770.7 Ų70.725%0.25137%0.371SS..THydrogen-bonded Turntrans-55.6-31.3172.1-80.6-26.5000112.6N64 G66 T67D10-N64 HydrophobicContact CB-CB 4.47Å; D10-N64 PolarHBondContact N-OD1 3.19Å; D10-N64 VanDerWaalsContact OD2-CA 3.29Å; D10-N64 WeakPolarHBondContact OD2-CA 3.41Å; D10-G66 PolarHBondContact OD1-N 2.99Å; D10-G66 WeakPolarHBondContact OD2-CA 3.29Å; D10-G66 PolarHBondContact OD2-N 3.47Å; D10-T67 WeakPolarHBondContact OD1-CB 3.36Å; D10-T67 PolarHBondContact OD1-N 3.44Å; D10-T67 PolarHBondContact OD1-OG1 2.65Å
11D93.9Very high86.1Confident150 Ų15074.7 Ų74.780%0.80239%0.393SS*.THydrogen-bonded Turntrans-80.7-34179-65.1-31.3000112.8T9T9-D11 PolarHBondContact O-N 2.69Å; T9-D11 PolarHBondContact OG1-N 3.27Å
12S94.6Very high87.9Confident25 Ų2566.8 Ų66.818%0.17536%0.363CS..THydrogen-bonded Turntrans-85.5-21.5-175.494.20000113.2T9 D14 T15 D16T9-S12 PolarHBondContact N-OG 3.27Å; T9-S12 VanDerWaalsContact N-OG 3.16Å; T9-S12 PolarHBondContact O-N 2.57Å; T9-S12 PolarHBondContact OG1-N 2.98Å; T9-S12 VanDerWaalsContact OG1-N 3.16Å; S12-D14 VanDerWaalsContact C-N 3.32Å; S12-D14 PolarHBondContact O-N 2.96Å; S12-T15 PolarHBondContact O-N 3.37Å; S12-D16 WeakPolarHBondContact CB-OD2 3.37Å; S12-D16 WeakPolarHBondContact O-CB 3.39Å; S12-D16 PolarHBondContact O-N 3.21Å; S12-D16 PolarHBondContact OG-OD2 2.88Å
13F94.5Very high89.8Confident7 Ų766 Ų663%0.03136%0.359CS..Hα-helixtrans-53.6-42.5-173.4-162.5-84.9000114.2L8 T9 T15 V17 L18 V26 F28 L59 T67 Y71 F82L8-F13 HydrophobicContact CD1-CD2 3.87Å; L8-F13 HydrophobicContact CD1-CE2 4Å; T9-F13 PolarHBondContact O-N 3.39Å; T9-F13 VanDerWaalsContact O-N 3.08Å; F13-T15 VanDerWaalsContact C-N 3.35Å; F13-T15 PolarHBondContact O-N 3.39Å; F13-V17 HydrophobicContact CD1-CB 4.17Å; F13-V17 HydrophobicContact CD1-CG2 4.42Å; F13-V17 HydrophobicContact CD2-CG2 4.03Å; F13-V17 HydrophobicContact CE1-CB 3.98Å; F13-V17 HydrophobicContact CE1-CG1 4.04Å; F13-V17 HydrophobicContact CE1-CG2 4.36Å; F13-V17 HydrophobicContact CE2-CB 4.49Å; F13-V17 HydrophobicContact CE2-CG2 4.01Å; F13-V17 HydrophobicContact CG-CB 4.48Å; F13-V17 HydrophobicContact CG-CG2 4.26Å; F13-V17 HydrophobicContact CZ-CB 4.17Å; F13-V17 HydrophobicContact CZ-CG1 4Å; F13-V17 HydrophobicContact CZ-CG2 4.17Å; F13-V17 WeakPolarHBondContact O-CA 3.25Å; F13-V17 WeakPolarHBondContact O-CB 3.36Å; F13-V17 PolarHBondContact O-N 3.48Å; F13-L18 HydrophobicContact CD1-CD1 4.48Å; F13-L18 HydrophobicContact CD1-CG 4.21Å; F13-L18 HydrophobicContact CE1-CD2 4.12Å; F13-L18 HydrophobicContact CE1-CG 4.26Å; F13-L18 PolarHBondContact O-N 3.34Å; F13-V26 HydrophobicContact CE2-CG1 4.2Å; F13-V26 HydrophobicContact CE2-CG2 4.31Å; F13-F28 HydrophobicContact CE2-CZ 4.25Å; F13-L59 HydrophobicContact CD2-CD1 3.78Å; F13-L59 HydrophobicContact CE2-CD1 4.26Å; F13-T67 HydrophobicContact CD1-CG2 4.13Å; F13-T67 HydrophobicContact CD2-CG2 3.56Å; F13-T67 HydrophobicContact CE1-CG2 4.21Å; F13-T67 HydrophobicContact CE2-CG2 3.62Å; F13-T67 HydrophobicContact CG-CG2 3.81Å; F13-T67 HydrophobicContact CZ-CG2 3.96Å; F13-Y71 HydrophobicContact CD1-CE2 4.42Å; F13-Y71 AromaticContact CE1-CE2 3.59Å; F13-Y71 HydrophobicContact CE1-CE2 3.59Å; F13-Y71 AromaticContact CE1-CZ 3.74Å; F13-Y71 WeakPolarHBondContact CE1-OH 3.28Å; F13-Y71 AromaticContact CZ-CE2 3.78Å; F13-Y71 HydrophobicContact CZ-CE2 3.78Å; F13-F82 HydrophobicContact CE1-CE1 4.38Å; F13-F82 HydrophobicContact CE1-CZ 4.02Å; F13-F82 HydrophobicContact CZ-CE1 4.41Å; F13-F82 AromaticContact CZ-CE2 3.89Å; F13-F82 HydrophobicContact CZ-CE2 3.89Å; F13-F82 AromaticContact CZ-CZ 3.64Å; F13-F82 HydrophobicContact CZ-CZ 3.64Å
14D90.9Very high91Very high68 Ų6857.9 Ų57.936%0.36432%0.315SS..Iπ-helixtrans-64.1-40.9179.8-176.771.9000112S12 L18 K19S12-D14 VanDerWaalsContact C-N 3.32Å; S12-D14 PolarHBondContact O-N 2.96Å; D14-L18 WeakPolarHBondContact O-CB 2.97Å; D14-L18 PolarHBondContact O-N 3.36Å; D14-K19 PolarHBondContact O-N 3.22Å; D14-K19 WeakPolarHBondContact OD2-CE 3.3Å; D14-K19 IonicContact OD2-NZ 2.68Å; D14-K19 PolarHBondContact OD2-NZ 3.06Å
15T92.6Very high91.8Very high84 Ų8454 Ų5452%0.51530%0.298SS..Iπ-helixtrans-78-45.6-178.1-54.30000111.2S12 F13S12-T15 PolarHBondContact O-N 3.37Å; F13-T15 VanDerWaalsContact C-N 3.35Å; F13-T15 PolarHBondContact O-N 3.39Å
16D92.3Very high92.1Very high58 Ų5853.3 Ų53.331%0.3129%0.294SS..Iπ-helixtrans-84-19.3-171.7-61.7-21.6000113.2L8 S12 A20 I24L8-D16 HydrophobicContact CD2-CB 3.53Å; S12-D16 WeakPolarHBondContact CB-OD2 3.37Å; S12-D16 WeakPolarHBondContact O-CB 3.39Å; S12-D16 PolarHBondContact O-N 3.21Å; S12-D16 PolarHBondContact OG-OD2 2.88Å; D16-A20 VanDerWaalsContact O-CB 3.25Å; D16-A20 WeakPolarHBondContact O-CB 3.4Å; D16-I24 WeakPolarHBondContact O-CD1 3.49Å
17V92.5Very high92.3Very high1 Ų150.1 Ų50.11%0.00628%0.278CS..Iπ-helixtrans-120.5-51.4-178.1-172.10000112.4L8 F13 V26 F82L8-V17 HydrophobicContact CD1-CG2 3.55Å; L8-V17 HydrophobicContact CD2-CG2 3.92Å; L8-V17 HydrophobicContact CG-CG2 4.41Å; F13-V17 HydrophobicContact CD1-CB 4.17Å; F13-V17 HydrophobicContact CD1-CG2 4.42Å; F13-V17 HydrophobicContact CD2-CG2 4.03Å; F13-V17 HydrophobicContact CE1-CB 3.98Å; F13-V17 HydrophobicContact CE1-CG1 4.04Å; F13-V17 HydrophobicContact CE1-CG2 4.36Å; F13-V17 HydrophobicContact CE2-CB 4.49Å; F13-V17 HydrophobicContact CE2-CG2 4.01Å; F13-V17 HydrophobicContact CG-CB 4.48Å; F13-V17 HydrophobicContact CG-CG2 4.26Å; F13-V17 HydrophobicContact CZ-CB 4.17Å; F13-V17 HydrophobicContact CZ-CG1 4Å; F13-V17 HydrophobicContact CZ-CG2 4.17Å; F13-V17 WeakPolarHBondContact O-CA 3.25Å; F13-V17 WeakPolarHBondContact O-CB 3.36Å; F13-V17 PolarHBondContact O-N 3.48Å; V17-V26 HydrophobicContact CG1-CG2 4.2Å; V17-V26 HydrophobicContact CG2-CG2 4.08Å; V17-F82 HydrophobicContact CG1-CB 3.9Å; V17-F82 HydrophobicContact CG1-CD1 3.74Å; V17-F82 HydrophobicContact CG1-CD2 3.54Å; V17-F82 HydrophobicContact CG1-CE1 4.11Å; V17-F82 HydrophobicContact CG1-CE2 3.92Å; V17-F82 HydrophobicContact CG1-CG 3.44Å; V17-F82 VanDerWaalsContact CG1-CG 3.44Å; V17-F82 HydrophobicContact CG1-CZ 4.2Å
18L90.7Very high92.4Very high56 Ų5644.9 Ų44.929%0.29325%0.254SS..Iπ-helixtrans-79.4-33.1-171.5-57.2-176.3000113.4F13 D14 F82 G85F13-L18 HydrophobicContact CD1-CD1 4.48Å; F13-L18 HydrophobicContact CD1-CG 4.21Å; F13-L18 HydrophobicContact CE1-CD2 4.12Å; F13-L18 HydrophobicContact CE1-CG 4.26Å; F13-L18 PolarHBondContact O-N 3.34Å; D14-L18 WeakPolarHBondContact O-CB 2.97Å; D14-L18 PolarHBondContact O-N 3.36Å; L18-F82 HydrophobicContact CD2-CD1 4.22Å; L18-F82 HydrophobicContact CD2-CE1 3.94Å; L18-G85 WeakPolarHBondContact CD2-O 3.3Å; L18-G85 WeakPolarHBondContact O-CA 3.5Å
19K89Confident92.5Very high141 Ų14147.4 Ų47.461%0.61326%0.263SS*.SBendtrans-98.8-3.5177.5-70.1170.2175.4155.40113.7D14D14-K19 PolarHBondContact O-N 3.22Å; D14-K19 WeakPolarHBondContact OD2-CE 3.3Å; D14-K19 IonicContact OD2-NZ 2.68Å; D14-K19 PolarHBondContact OD2-NZ 3.06Å
20A84Confident92.4Very high25 Ų2544.5 Ų44.521%0.20725%0.246CC..  trans-80.9136.5-179.300000110.9D16 I24D16-A20 VanDerWaalsContact O-CB 3.25Å; D16-A20 WeakPolarHBondContact O-CB 3.4Å; A20-I24 HydrophobicContact CB-CD1 3.45Å; A20-I24 VanDerWaalsContact CB-CD1 3.45Å
21D81.4Confident92.4Very high155 Ų15548.1 Ų48.183%0.82926%0.261SS*.  trans-75.9143.4174.2-68.6-38.5000110.7
22G84.5Confident92.4Very high37 Ų3749 Ų4938%0.38125%0.253SS..SBendtrans94.6-159.3175.300000114N84G22-N84 PolarHBondContact N-OD1 3.4Å; G22-N84 PolarHBondContact O-N 2.97Å; G22-N84 VanDerWaalsContact O-N 3.12Å
23A91.9Very high92.3Very high13 Ų1348 Ų4811%0.10725%0.246CC..EExtended strand (participates in β ladder)trans-106.4132.7-174.200000111.7L54 T55 L81 F82 K83 L108A23-L54 HydrophobicContact CB-CD1 4.12Å; A23-L54 WeakPolarHBondContact O-CD1 3.32Å; A23-T55 PolarHBondContact O-N 2.75Å; A23-L81 HydrophobicContact CB-CD1 4.43Å; A23-F82 CarbonylContact C-O 3.57Å; A23-F82 VanDerWaalsContact CA-O 3.27Å; A23-F82 WeakPolarHBondContact CA-O 3.41Å; A23-K83 HydrophobicContact CB-CG 4.22Å; A23-L108 HydrophobicContact CB-CD2 3.28Å
24I95.1Very high92.1Very high7 Ų749.8 Ų49.84%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-133.2120.8-174.8-53.4-176.9000109.9D16 A20 V26 T55 A57 L81 F82D16-I24 WeakPolarHBondContact O-CD1 3.49Å; A20-I24 HydrophobicContact CB-CD1 3.45Å; A20-I24 VanDerWaalsContact CB-CD1 3.45Å; I24-V26 HydrophobicContact CG2-CG2 4.18Å; I24-T55 CarbonylContact C-O 3.53Å; I24-T55 VanDerWaalsContact CA-O 3.29Å; I24-T55 WeakPolarHBondContact CA-O 3.31Å; I24-A57 HydrophobicContact CG2-CB 4.18Å; I24-L81 CarbonylContact O-C 3.54Å; I24-L81 WeakPolarHBondContact O-CA 3.23Å; I24-F82 HydrophobicContact CB-CB 4.48Å; I24-F82 PolarHBondContact N-O 3.3Å; I24-F82 PolarHBondContact O-N 3.47Å
25L96.6Very high92.2Very high0 Ų049.5 Ų49.50%027%0.269CS..EExtended strand (participates in β ladder)trans-95.8113.6174.3-175.474.1000109.5L43 L54 T55 A57 L79 L80 L81 L100 F103 L104L25-L43 HydrophobicContact CD2-CD2 3.82Å; L25-L54 HydrophobicContact CB-CD1 3.95Å; L25-L54 HydrophobicContact CB-CD2 4.07Å; L25-L54 HydrophobicContact CB-CG 4.29Å; L25-T55 PolarHBondContact N-O 3.32Å; L25-A57 PolarHBondContact O-N 3.01Å; L25-L79 HydrophobicContact CD1-CB 4Å; L25-L79 HydrophobicContact CD2-CD1 4.49Å; L25-L80 CarbonylContact C-O 3.57Å; L25-L80 WeakPolarHBondContact CA-O 3.47Å; L25-L81 HydrophobicContact CB-CD1 4.35Å; L25-L81 HydrophobicContact CD1-CB 4.23Å; L25-L81 HydrophobicContact CD1-CD1 4.41Å; L25-L100 HydrophobicContact CD2-CD1 4.28Å; L25-F103 HydrophobicContact CD1-CE1 4.16Å; L25-L104 HydrophobicContact CD1-CD2 4.11Å; L25-L104 HydrophobicContact CD2-CD1 4.43Å; L25-L104 HydrophobicContact CD2-CD2 4.2Å
26V97Very high92.2Very high0 Ų045.7 Ų45.70%025%0.245CC..EExtended strand (participates in β ladder)trans-99.4119.6177.5-175.90000110.4L8 F13 V17 I24 F28 A57 L59 L79 L80 F82L8-V26 HydrophobicContact CD1-CG1 3.83Å; L8-V26 HydrophobicContact CD1-CG2 3.91Å; F13-V26 HydrophobicContact CE2-CG1 4.2Å; F13-V26 HydrophobicContact CE2-CG2 4.31Å; V17-V26 HydrophobicContact CG1-CG2 4.2Å; V17-V26 HydrophobicContact CG2-CG2 4.08Å; I24-V26 HydrophobicContact CG2-CG2 4.18Å; V26-F28 HydrophobicContact CB-CE2 4.05Å; V26-F28 HydrophobicContact CG1-CD2 4.01Å; V26-F28 HydrophobicContact CG1-CE2 3.57Å; V26-F28 HydrophobicContact CG1-CZ 3.98Å; V26-A57 CarbonylContact C-O 3.59Å; V26-A57 WeakPolarHBondContact CA-O 3.43Å; V26-A57 HydrophobicContact CG2-CB 4.41Å; V26-L59 HydrophobicContact CG1-CB 4.31Å; V26-L79 CarbonylContact O-C 3.33Å; V26-L79 VanDerWaalsContact O-CA 3.31Å; V26-L79 WeakPolarHBondContact O-CA 3.34Å; V26-L80 PolarHBondContact N-O 3.26Å; V26-L80 PolarHBondContact O-N 3.05Å; V26-F82 HydrophobicContact CB-CE2 4.39Å; V26-F82 HydrophobicContact CG2-CD2 3.9Å; V26-F82 HydrophobicContact CG2-CE2 3.92Å
27D97.2Very high92.2Very high1 Ų149.8 Ų49.81%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-93.3114.5170.3174.436.6000111.3L43 A57 K58 L59 L79D27-L43 HydrophobicContact CB-CD1 3.61Å; D27-L43 VanDerWaalsContact CG-CD1 3.49Å; D27-L43 WeakPolarHBondContact OD2-CD1 3.28Å; D27-A57 PolarHBondContact N-O 3.09Å; D27-K58 HydrophobicContact CB-CG 4.01Å; D27-K58 WeakPolarHBondContact O-CA 3.47Å; D27-K58 WeakPolarHBondContact OD2-CE 3.49Å; D27-L59 PolarHBondContact O-N 3.13Å; D27-L79 HydrophobicContact CB-CD2 3.53Å
28F97.2Very high92.2Very high0 Ų056 Ų560%029%0.291CS..EExtended strand (participates in β ladder)trans-87.9114.6172.4-68.2-98.4000109.3F13 V26 L59 I61 T67 A68 I73 I76 P77 T78 L80F13-F28 HydrophobicContact CE2-CZ 4.25Å; V26-F28 HydrophobicContact CB-CE2 4.05Å; V26-F28 HydrophobicContact CG1-CD2 4.01Å; V26-F28 HydrophobicContact CG1-CE2 3.57Å; V26-F28 HydrophobicContact CG1-CZ 3.98Å; F28-L59 WeakPolarHBondContact CA-O 3.42Å; F28-L59 HydrophobicContact CD1-CB 4.42Å; F28-L59 HydrophobicContact CD1-CD2 3.76Å; F28-L59 HydrophobicContact CE1-CB 4.5Å; F28-L59 HydrophobicContact CE1-CD2 3.86Å; F28-I61 HydrophobicContact CB-CG2 4Å; F28-I61 HydrophobicContact CD1-CG2 4.04Å; F28-T67 HydrophobicContact CE1-CG2 4.15Å; F28-T67 HydrophobicContact CZ-CG2 4.39Å; F28-A68 HydrophobicContact CD1-CB 3.97Å; F28-A68 HydrophobicContact CE1-CB 4.15Å; F28-I73 HydrophobicContact CB-CG2 4.29Å; F28-I73 HydrophobicContact CD1-CG1 4.13Å; F28-I73 HydrophobicContact CD2-CD1 4.18Å; F28-I73 HydrophobicContact CD2-CG1 4.38Å; F28-I73 HydrophobicContact CE1-CG1 4.26Å; F28-I73 HydrophobicContact CE2-CD1 4.36Å; F28-I73 HydrophobicContact CG-CD1 4.41Å; F28-I73 HydrophobicContact CG-CG1 4.2Å; F28-I73 HydrophobicContact CZ-CG1 4.45Å; F28-I76 HydrophobicContact CB-CG2 4.34Å; F28-I76 VanDerWaalsContact O-CG2 3.23Å; F28-I76 WeakPolarHBondContact O-CG2 3.47Å; F28-P77 WeakPolarHBondContact O-CA 3.37Å; F28-T78 WeakPolarHBondContact CD2-O 3.41Å; F28-T78 PolarHBondContact N-O 3.47Å; F28-T78 PolarHBondContact O-N 2.95Å; F28-L80 HydrophobicContact CD2-CG 4.36Å; F28-L80 HydrophobicContact CE2-CB 4.2Å; F28-L80 HydrophobicContact CE2-CD1 3.6Å; F28-L80 HydrophobicContact CE2-CG 3.77Å; F28-L80 HydrophobicContact CZ-CD1 4.03Å
29W96.9Very high92.3Very high59 Ų5953.3 Ų53.322%0.22328%0.277CS..EExtended strand (participates in β ladder)trans-139.5171.6-170.874.3-78.1000113E31 C36 L59 N60 I61W29-E31 HydrophobicContact CH2-CG 4.33Å; W29-E31 HydrophobicContact CZ3-CG 4.04Å; W29-C36 HydrophobicContact CB-CB 3.94Å; W29-L59 PolarHBondContact N-O 3.37Å; W29-N60 HydrophobicContact CZ2-CB 3.99Å; W29-N60 CarbonylContact O-C 3.49Å; W29-N60 WeakPolarHBondContact O-CA 3.24Å; W29-I61 PolarHBondContact O-N 3.31Å
30A94.7Very high92.4Very high1 Ų147.7 Ų47.71%0.00826%0.257CS..  trans-148.4158.817200000111.4W32 C33 I61 D62 I76A30-W32 VanDerWaalsContact C-N 3.3Å; A30-W32 HydrophobicContact CB-CD2 4.24Å; A30-W32 HydrophobicContact CB-CG 4.37Å; A30-W32 HydrophobicContact CB-CZ2 4.07Å; A30-W32 PolarHBondContact O-N 3.06Å; A30-C33 HydrophobicContact CB-CB 4.47Å; A30-C33 VanDerWaalsContact O-CB 3.31Å; A30-C33 WeakPolarHBondContact O-CB 3.47Å; A30-C33 PolarHBondContact O-N 3.03Å; A30-C33 VanDerWaalsContact O-N 3.16Å; A30-I61 HydrophobicContact CB-CG1 4.08Å; A30-D62 WeakPolarHBondContact CB-OD2 2.96Å; A30-I76 HydrophobicContact CB-CD1 3.4Å; A30-I76 VanDerWaalsContact CB-CD1 3.4Å
31E93.6Very high92.9Very high122 Ų12249.8 Ų49.857%0.5727%0.268SS*.THydrogen-bonded Turntrans-66.2-29.7-175.4-66.4-167.5174.700114W29 C33 K37W29-E31 HydrophobicContact CH2-CG 4.33Å; W29-E31 HydrophobicContact CZ3-CG 4.04Å; E31-C33 VanDerWaalsContact C-N 3.3Å; E31-K37 WeakPolarHBondContact O-CE 3.47Å; E31-K37 PolarHBondContact O-NZ 3.1Å
32W93.4Very high93.5Very high169 Ų16943.7 Ų43.764%0.6424%0.235SC*.THydrogen-bonded Turntrans-82.2-7.9179.154.2-96.6000113.1A30 G34 D62 I76A30-W32 VanDerWaalsContact C-N 3.3Å; A30-W32 HydrophobicContact CB-CD2 4.24Å; A30-W32 HydrophobicContact CB-CG 4.37Å; A30-W32 HydrophobicContact CB-CZ2 4.07Å; A30-W32 PolarHBondContact O-N 3.06Å; W32-G34 PolarHBondContact O-N 3.29Å; W32-D62 VanDerWaalsContact CD1-OD2 3.23Å; W32-D62 PolarHBondContact NE1-OD1 3.17Å; W32-D62 PolarHBondContact NE1-OD2 3.4Å; W32-I76 HydrophobicContact CH2-CD1 3.79Å; W32-I76 HydrophobicContact CH2-CG1 4.15Å; W32-I76 HydrophobicContact CZ2-CD1 3.83Å; W32-I76 HydrophobicContact CZ3-CD1 4.33Å
33C91.8Very high93.9Very high4 Ų441.9 Ų41.93%0.02722%0.217CC..  trans-82.3102.7-175.4173.70000112A30 E31 C36 K37 I76A30-C33 HydrophobicContact CB-CB 4.47Å; A30-C33 VanDerWaalsContact O-CB 3.31Å; A30-C33 WeakPolarHBondContact O-CB 3.47Å; A30-C33 PolarHBondContact O-N 3.03Å; A30-C33 VanDerWaalsContact O-N 3.16Å; E31-C33 VanDerWaalsContact C-N 3.3Å; C33-C36 HydrophobicContact CB-CB 3.58Å; C33-C36 WeakPolarHBondContact CB-SG 3.37Å; C33-C36 WeakPolarHBondContact O-CB 3.42Å; C33-C36 PolarHBondContact O-N 3.46Å; C33-C36 WeakPolarHBondContact SG-CB 3.32Å; C33-C36 PolarHBondContact SG-N 3.26Å; C33-C36 CovalentContact SG-SG 2.04Å; C33-C36 PolarHBondContact SG-SG 3.29Å; C33-K37 PolarHBondContact O-N 2.92Å; C33-I76 HydrophobicContact CB-CD1 3.61Å; C33-I76 HydrophobicContact CB-CG1 4.16Å
34G90.5Very high94Very high45 Ų4543.1 Ų43.146%0.46422%0.222SC..Hα-helixtrans-54.3-51175.100000113.9W32 C36 K37 M38W32-G34 PolarHBondContact O-N 3.29Å; G34-C36 VanDerWaalsContact C-N 3.26Å; G34-C36 PolarHBondContact O-N 2.97Å; G34-K37 WeakPolarHBondContact O-CB 3.12Å; G34-K37 PolarHBondContact O-N 3.43Å; G34-K37 VanDerWaalsContact O-N 3.13Å; G34-M38 PolarHBondContact O-N 3.32Å
35P92.5Very high93.9Very high62 Ų6247.1 Ų47.140%0.40324%0.24SC..Hα-helixtrans-62.2-29.5177.1-24.134.8000113.9M38 I39 P77 A94P35-M38 WeakPolarHBondContact O-CB 3.46Å; P35-M38 PolarHBondContact O-N 3.32Å; P35-I39 PolarHBondContact O-N 3.19Å; P35-P77 HydrophobicContact CB-CG 4.39Å; P35-A94 HydrophobicContact CB-CB 3.95Å
36C94.1Very high93.7Very high4 Ų447.1 Ų47.13%0.02724%0.24CC..Hα-helixtrans-67-37.6175.1-54.70000111.6W29 C33 G34 M38 I39 A40 P77W29-C36 HydrophobicContact CB-CB 3.94Å; C33-C36 HydrophobicContact CB-CB 3.58Å; C33-C36 WeakPolarHBondContact CB-SG 3.37Å; C33-C36 WeakPolarHBondContact O-CB 3.42Å; C33-C36 PolarHBondContact O-N 3.46Å; C33-C36 WeakPolarHBondContact SG-CB 3.32Å; C33-C36 PolarHBondContact SG-N 3.26Å; C33-C36 CovalentContact SG-SG 2.04Å; C33-C36 PolarHBondContact SG-SG 3.29Å; G34-C36 VanDerWaalsContact C-N 3.26Å; G34-C36 PolarHBondContact O-N 2.97Å; C36-M38 VanDerWaalsContact C-N 3.26Å; C36-M38 PolarHBondContact O-N 3.45Å; C36-I39 WeakPolarHBondContact O-CG2 3.42Å; C36-I39 PolarHBondContact O-N 2.9Å; C36-A40 WeakPolarHBondContact O-CB 3.33Å; C36-A40 PolarHBondContact O-N 3.18Å; C36-P77 HydrophobicContact CB-CB 4.48Å
37K92.5Very high93.6Very high143 Ų14347.3 Ų47.362%0.62224%0.242SC*.Hα-helixtrans-65.2-30.8173.5-65.9177.6-177.4171.60112.3E31 C33 G34 P41E31-K37 WeakPolarHBondContact O-CE 3.47Å; E31-K37 PolarHBondContact O-NZ 3.1Å; C33-K37 PolarHBondContact O-N 2.92Å; G34-K37 WeakPolarHBondContact O-CB 3.12Å; G34-K37 PolarHBondContact O-N 3.43Å; G34-K37 VanDerWaalsContact O-N 3.13Å; K37-P41 WeakPolarHBondContact O-CD 3.37Å
38M91.3Very high93.3Very high131 Ų13151 Ų5165%0.64526%0.261SS*.Hα-helixtrans-70.1-41.5177.5-172.3-172.1-62.900112.3G34 P35 C36 A94G34-M38 PolarHBondContact O-N 3.32Å; P35-M38 WeakPolarHBondContact O-CB 3.46Å; P35-M38 PolarHBondContact O-N 3.32Å; C36-M38 VanDerWaalsContact C-N 3.26Å; C36-M38 PolarHBondContact O-N 3.45Å; M38-A94 HydrophobicContact SD-CB 4.5Å
39I93.1Very high93Very high0 Ų055.9 Ų55.90%028%0.284CS..Hα-helixtrans-83.4-20.7-178.5-158.6175000113.2P35 C36 I42 L43 P77 L79 L95 L100P35-I39 PolarHBondContact O-N 3.19Å; C36-I39 WeakPolarHBondContact O-CG2 3.42Å; C36-I39 PolarHBondContact O-N 2.9Å; I39-I42 HydrophobicContact CG1-CB 4.34Å; I39-I42 WeakPolarHBondContact O-CA 3.41Å; I39-I42 WeakPolarHBondContact O-CB 3.4Å; I39-I42 PolarHBondContact O-N 2.93Å; I39-L43 HydrophobicContact CG1-CD1 4.49Å; I39-L43 HydrophobicContact CG1-CG 4.25Å; I39-L43 HydrophobicContact CG2-CD1 4.19Å; I39-L43 PolarHBondContact O-N 3.35Å; I39-P77 HydrophobicContact CG2-CB 4.22Å; I39-P77 HydrophobicContact CG2-CG 4.21Å; I39-L79 HydrophobicContact CD1-CD1 3.94Å; I39-L95 HydrophobicContact CD1-CB 4.44Å; I39-L100 HydrophobicContact CD1-CD2 4.5Å
40A92.2Very high92.6Very high24 Ų2454 Ų5420%0.19828%0.277CS..Hα-helixtrans-49.8-50.8-179.300000115.2C36 I42 L43 D44C36-A40 WeakPolarHBondContact O-CB 3.33Å; C36-A40 PolarHBondContact O-N 3.18Å; A40-I42 VanDerWaalsContact C-N 3.29Å; A40-I42 PolarHBondContact O-N 3.42Å; A40-L43 PolarHBondContact O-N 3.3Å; A40-D44 PolarHBondContact O-N 3.22Å
41P93Very high92.1Very high68 Ų6860 Ų6044%0.44231%0.306SS..Hα-helixtrans-67.4-29.6176.625.8-34.4000112.9K37 D44 E45K37-P41 WeakPolarHBondContact O-CD 3.37Å; P41-D44 PolarHBondContact O-N 3.06Å; P41-E45 WeakPolarHBondContact O-CG 3.44Å; P41-E45 PolarHBondContact O-N 2.92Å; P41-E45 VanDerWaalsContact O-N 3.11Å
42I93.7Very high91.6Very high27 Ų2758.2 Ų58.214%0.13832%0.32CS..Hα-helixtrans-66.7-40.6176-56.6175.2000110I39 A40 E45 I46 L95 K97 L100I39-I42 HydrophobicContact CG1-CB 4.34Å; I39-I42 WeakPolarHBondContact O-CA 3.41Å; I39-I42 WeakPolarHBondContact O-CB 3.4Å; I39-I42 PolarHBondContact O-N 2.93Å; A40-I42 VanDerWaalsContact C-N 3.29Å; A40-I42 PolarHBondContact O-N 3.42Å; I42-E45 PolarHBondContact O-N 2.92Å; I42-I46 HydrophobicContact CG2-CG1 4.43Å; I42-I46 VanDerWaalsContact O-CG1 3.28Å; I42-I46 WeakPolarHBondContact O-CG1 3.44Å; I42-I46 PolarHBondContact O-N 2.89Å; I42-L95 WeakPolarHBondContact CD1-O 3.47Å; I42-K97 HydrophobicContact CG2-CB 3.8Å; I42-K97 HydrophobicContact CG2-CG 4.12Å; I42-L100 HydrophobicContact CG2-CD2 4.1Å
43L94.5Very high91.2Very high0 Ų058 Ų580%032%0.323CS..Hα-helixtrans-66.4-36.9176.4-71.9169000112.5L25 D27 I39 A40 E45 I46 A47 V56 L79 L100L25-L43 HydrophobicContact CD2-CD2 3.82Å; D27-L43 HydrophobicContact CB-CD1 3.61Å; D27-L43 VanDerWaalsContact CG-CD1 3.49Å; D27-L43 WeakPolarHBondContact OD2-CD1 3.28Å; I39-L43 HydrophobicContact CG1-CD1 4.49Å; I39-L43 HydrophobicContact CG1-CG 4.25Å; I39-L43 HydrophobicContact CG2-CD1 4.19Å; I39-L43 PolarHBondContact O-N 3.35Å; A40-L43 PolarHBondContact O-N 3.3Å; L43-E45 VanDerWaalsContact C-N 3.35Å; L43-I46 PolarHBondContact O-N 3.21Å; L43-A47 WeakPolarHBondContact O-CB 3.18Å; L43-A47 PolarHBondContact O-N 3.28Å; L43-V56 HydrophobicContact CB-CG1 4.31Å; L43-V56 HydrophobicContact CD2-CG1 4.17Å; L43-L79 HydrophobicContact CD1-CD2 4.42Å; L43-L79 HydrophobicContact CD2-CD2 4.32Å; L43-L100 HydrophobicContact CD2-CD2 3.83Å
44D93.1Very high91.2Very high38 Ų3858.1 Ų58.120%0.20332%0.324CS..Hα-helixtrans-59.1-47.3171.9-76.9-51.5000110.4S2 I5 A40 P41 I46 A47 D48S2-D44 VanDerWaalsContact CB-OD1 3.32Å; S2-D44 WeakPolarHBondContact CB-OD1 3.26Å; S2-D44 PolarHBondContact N-OD1 3.36Å; S2-D44 VanDerWaalsContact N-OD1 3.1Å; I5-D44 WeakPolarHBondContact CD1-OD1 3.28Å; A40-D44 PolarHBondContact O-N 3.22Å; P41-D44 PolarHBondContact O-N 3.06Å; D44-I46 PolarHBondContact O-N 3.4Å; D44-A47 PolarHBondContact O-N 3.3Å; D44-D48 PolarHBondContact O-N 3.22Å
45E92.6Very high91.4Very high91 Ų9158.7 Ų58.743%0.42532%0.318SS..Hα-helixtrans-64.5-37177.4-69.2177.5-150.400113.1P41 I42 L43 D48 E49 K97P41-E45 WeakPolarHBondContact O-CG 3.44Å; P41-E45 PolarHBondContact O-N 2.92Å; P41-E45 VanDerWaalsContact O-N 3.11Å; I42-E45 PolarHBondContact O-N 2.92Å; L43-E45 VanDerWaalsContact C-N 3.35Å; E45-D48 PolarHBondContact O-N 3.5Å; E45-E49 WeakPolarHBondContact O-CB 3.4Å; E45-E49 PolarHBondContact O-N 3.39Å; E45-K97 VanDerWaalsContact OE2-CD 3.25Å; E45-K97 WeakPolarHBondContact OE2-CD 3.49Å; E45-K97 VanDerWaalsContact OE2-CE 3.29Å; E45-K97 WeakPolarHBondContact OE2-CE 3.49Å; E45-K97 IonicContact OE2-NZ 2.72Å; E45-K97 PolarHBondContact OE2-NZ 3.17Å
46I93.7Very high91.5Very high0 Ų055.8 Ų55.80%030%0.299CS..Hα-helixtrans-68.3-40.3176.2-71.8-66.8000111.3I42 L43 D44 D48 E49 Y50 L54 V56 L100 K101 L104I42-I46 HydrophobicContact CG2-CG1 4.43Å; I42-I46 VanDerWaalsContact O-CG1 3.28Å; I42-I46 WeakPolarHBondContact O-CG1 3.44Å; I42-I46 PolarHBondContact O-N 2.89Å; L43-I46 PolarHBondContact O-N 3.21Å; D44-I46 PolarHBondContact O-N 3.4Å; I46-D48 PolarHBondContact O-N 3.3Å; I46-E49 PolarHBondContact O-N 2.96Å; I46-Y50 HydrophobicContact CD1-CD2 4.15Å; I46-Y50 HydrophobicContact CD1-CE2 3.78Å; I46-Y50 HydrophobicContact CG2-CD2 3.99Å; I46-Y50 WeakPolarHBondContact O-CB 3.4Å; I46-Y50 PolarHBondContact O-N 2.97Å; I46-L54 HydrophobicContact CG2-CD2 4.09Å; I46-V56 HydrophobicContact CG2-CG2 4.15Å; I46-L100 HydrophobicContact CD1-CG 4.47Å; I46-L100 HydrophobicContact CG1-CD2 3.81Å; I46-L100 HydrophobicContact CG1-CG 4.21Å; I46-K101 HydrophobicContact CD1-CG 3.73Å; I46-L104 HydrophobicContact CD1-CD1 4.3Å; I46-L104 HydrophobicContact CG2-CD1 3.45Å; I46-L104 VanDerWaalsContact CG2-CD1 3.45Å
47A93.7Very high91.6Very high5 Ų555.7 Ų55.74%0.04130%0.298CS..Hα-helixtrans-60.7-35.5176.400000111.7K4 I5 L43 D44 V56K4-A47 HydrophobicContact CB-CB 4.4Å; I5-A47 HydrophobicContact CG1-CB 4.18Å; L43-A47 WeakPolarHBondContact O-CB 3.18Å; L43-A47 PolarHBondContact O-N 3.28Å; D44-A47 PolarHBondContact O-N 3.3Å; A47-V56 HydrophobicContact CB-CB 3.89Å; A47-V56 HydrophobicContact CB-CG2 3.79Å
48D91.1Very high91.8Very high77 Ų7749.9 Ų49.941%0.41227%0.273SS..Hα-helixtrans-72.7-45.8173.9-75.7-28.9000112.6K4 D44 E45 I46K4-D48 VanDerWaalsContact CD-OD1 3.26Å; K4-D48 WeakPolarHBondContact CD-OD1 3.34Å; K4-D48 WeakPolarHBondContact CE-OD1 3.37Å; K4-D48 IonicContact NZ-OD1 2.63Å; K4-D48 PolarHBondContact NZ-OD1 2.87Å; D44-D48 PolarHBondContact O-N 3.22Å; E45-D48 PolarHBondContact O-N 3.5Å; I46-D48 PolarHBondContact O-N 3.3Å
49E90.1Very high92.1Very high103 Ų10343.6 Ų43.648%0.48124%0.242SC..Hα-helixtrans-72.9-31.7-174-169.4170.4168.900113.5E45 I46 K97 K101E45-E49 WeakPolarHBondContact O-CB 3.4Å; E45-E49 PolarHBondContact O-N 3.39Å; I46-E49 PolarHBondContact O-N 2.96Å; E49-K97 IonicContact OE2-NZ 2.65Å; E49-K101 VanDerWaalsContact CD-CE 3.42Å; E49-K101 VanDerWaalsContact OE1-CE 3.3Å; E49-K101 WeakPolarHBondContact OE1-CE 3.36Å; E49-K101 IonicContact OE1-NZ 2.69Å; E49-K101 PolarHBondContact OE1-NZ 3.4Å; E49-K101 WeakPolarHBondContact OE2-CE 3.36Å; E49-K101 IonicContact OE2-NZ 3.59Å; E49-K101 PolarHBondContact OE2-NZ 2.76Å
50Y89.9Confident92.3Very high20 Ų2044 Ų448%0.07824%0.244CC..THydrogen-bonded Turntrans-101.416.4-180-71-103.7000113.3I46 G52 K53 L54 K101 L104 D105 L108I46-Y50 HydrophobicContact CD1-CD2 4.15Å; I46-Y50 HydrophobicContact CD1-CE2 3.78Å; I46-Y50 HydrophobicContact CG2-CD2 3.99Å; I46-Y50 WeakPolarHBondContact O-CB 3.4Å; I46-Y50 PolarHBondContact O-N 2.97Å; Y50-G52 PolarHBondContact O-N 3.15Å; Y50-K53 PolarHBondContact O-N 3.39Å; Y50-L54 PolarHBondContact O-N 3.42Å; Y50-K101 HydrophobicContact CE2-CG 4.24Å; Y50-L104 HydrophobicContact CE1-CB 4.28Å; Y50-L104 HydrophobicContact CE2-CD1 4.43Å; Y50-D105 VanDerWaalsContact CE1-OD1 3.26Å; Y50-D105 WeakPolarHBondContact CE1-OD1 3.3Å; Y50-D105 VanDerWaalsContact OH-CG 3.26Å; Y50-D105 PolarHBondContact OH-OD1 3.18Å; Y50-D105 PolarHBondContact OH-OD2 3.28Å; Y50-L108 HydrophobicContact CD1-CD1 3.77Å; Y50-L108 HydrophobicContact CE1-CD1 4.05Å
51Q83.1Confident92.4Very high128 Ų12844.6 Ų44.660%0.59824%0.244SC*.THydrogen-bonded Turntrans-52.7126179.7-171.2177.30.900111.3K53Q51-K53 VanDerWaalsContact C-N 3.32Å; Q51-K53 PolarHBondContact O-N 2.62Å
52G83.1Confident92.4Very high84 Ų8445.8 Ų45.887%0.86625%0.247SC*.THydrogen-bonded Turntrans87.4-13.9-17700000115.2Y50Y50-G52 PolarHBondContact O-N 3.15Å
53K85.2Confident92.5Very high164 Ų16450.8 Ų50.871%0.71327%0.269SS*.THydrogen-bonded Turntrans-106.5-29.5172.8-64.3-178.1-179.5178.10113Y50 Q51Y50-K53 PolarHBondContact O-N 3.39Å; Q51-K53 VanDerWaalsContact C-N 3.32Å; Q51-K53 PolarHBondContact O-N 2.62Å
54L92.1Very high92.5Very high7 Ų751.6 Ų51.64%0.03727%0.273CS..  trans-142.3135.8-176.9-178.165000109.7A23 L25 I46 Y50 V56 L81 L104 L108A23-L54 HydrophobicContact CB-CD1 4.12Å; A23-L54 WeakPolarHBondContact O-CD1 3.32Å; L25-L54 HydrophobicContact CB-CD1 3.95Å; L25-L54 HydrophobicContact CB-CD2 4.07Å; L25-L54 HydrophobicContact CB-CG 4.29Å; I46-L54 HydrophobicContact CG2-CD2 4.09Å; Y50-L54 PolarHBondContact O-N 3.42Å; L54-V56 HydrophobicContact CD2-CG2 4.1Å; L54-V56 HydrophobicContact CG-CG2 4.34Å; L54-L81 HydrophobicContact CD1-CD1 3.65Å; L54-L104 HydrophobicContact CD2-CD1 3.67Å; L54-L104 HydrophobicContact CD2-CD2 3.69Å; L54-L104 HydrophobicContact CD2-CG 4.29Å; L54-L108 HydrophobicContact CB-CD1 4.05Å; L54-L108 HydrophobicContact CD1-CD1 4.31Å; L54-L108 HydrophobicContact CD1-CD2 4.17Å; L54-L108 HydrophobicContact CD2-CD1 4.25Å; L54-L108 HydrophobicContact CG-CD1 4.44Å
55T94Very high92.5Very high57 Ų5754 Ų5435%0.3529%0.291SS..EExtended strand (participates in β ladder)trans-97.9130.3164.3-58.60000108.8I6 A23 I24 L25I6-T55 HydrophobicContact CD1-CG2 3.4Å; I6-T55 HydrophobicContact CG1-CG2 4.01Å; A23-T55 PolarHBondContact O-N 2.75Å; I24-T55 CarbonylContact C-O 3.53Å; I24-T55 VanDerWaalsContact CA-O 3.29Å; I24-T55 WeakPolarHBondContact CA-O 3.31Å; L25-T55 PolarHBondContact N-O 3.32Å
56V95.8Very high92.5Very high1 Ų151.1 Ų51.11%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-101.3129176.3-179.10000108.9I5 I6 L43 I46 A47 L54I5-V56 WeakPolarHBondContact CA-O 3.36Å; I5-V56 HydrophobicContact CG1-CG1 4.42Å; I6-V56 PolarHBondContact N-O 2.99Å; L43-V56 HydrophobicContact CB-CG1 4.31Å; L43-V56 HydrophobicContact CD2-CG1 4.17Å; I46-V56 HydrophobicContact CG2-CG2 4.15Å; A47-V56 HydrophobicContact CB-CB 3.89Å; A47-V56 HydrophobicContact CB-CG2 3.79Å; L54-V56 HydrophobicContact CD2-CG2 4.1Å; L54-V56 HydrophobicContact CG-CG2 4.34Å
57A96.1Very high92.5Very high1 Ų151.2 Ų51.21%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-130153.1-17800000111.4I6 L8 I24 L25 V26 D27I6-A57 HydrophobicContact CB-CB 4.15Å; I6-A57 CarbonylContact O-C 3.27Å; I6-A57 WeakPolarHBondContact O-CA 3.43Å; L8-A57 HydrophobicContact CD1-CB 3.64Å; L8-A57 HydrophobicContact CD2-CB 4.37Å; L8-A57 HydrophobicContact CG-CB 3.87Å; I24-A57 HydrophobicContact CG2-CB 4.18Å; L25-A57 PolarHBondContact O-N 3.01Å; V26-A57 CarbonylContact C-O 3.59Å; V26-A57 WeakPolarHBondContact CA-O 3.43Å; V26-A57 HydrophobicContact CG2-CB 4.41Å; D27-A57 PolarHBondContact N-O 3.09Å
58K97.1Very high92.4Very high21 Ų2151.4 Ų51.49%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-128.8130.1-177.7-86.1-174.9171.71700110.9I5 I6 L8 D27I5-K58 HydrophobicContact CG2-CB 4.14Å; I5-K58 HydrophobicContact CG2-CD 4.04Å; I5-K58 HydrophobicContact CG2-CG 3.94Å; I6-K58 PolarHBondContact O-N 2.94Å; L8-K58 PolarHBondContact N-O 3.09Å; D27-K58 HydrophobicContact CB-CG 4.01Å; D27-K58 WeakPolarHBondContact O-CA 3.47Å; D27-K58 WeakPolarHBondContact OD2-CE 3.49Å
59L96.8Very high92.4Very high0 Ų052.1 Ų52.10%030%0.297CS..EExtended strand (participates in β ladder)trans-120.8116.6174.2-171.6141000110L8 F13 V26 D27 F28 W29 I61 N64 T67L8-L59 HydrophobicContact CB-CB 4.23Å; L8-L59 HydrophobicContact CB-CD1 4.06Å; F13-L59 HydrophobicContact CD2-CD1 3.78Å; F13-L59 HydrophobicContact CE2-CD1 4.26Å; V26-L59 HydrophobicContact CG1-CB 4.31Å; D27-L59 PolarHBondContact O-N 3.13Å; F28-L59 WeakPolarHBondContact CA-O 3.42Å; F28-L59 HydrophobicContact CD1-CB 4.42Å; F28-L59 HydrophobicContact CD1-CD2 3.76Å; F28-L59 HydrophobicContact CE1-CB 4.5Å; F28-L59 HydrophobicContact CE1-CD2 3.86Å; W29-L59 PolarHBondContact N-O 3.37Å; L59-I61 HydrophobicContact CD2-CG2 4.26Å; L59-I61 PolarHBondContact O-N 3.18Å; L59-N64 HydrophobicContact CD1-CB 4.33Å; L59-N64 HydrophobicContact CD2-CB 3.91Å; L59-N64 HydrophobicContact CG-CB 4.04Å; L59-T67 HydrophobicContact CD1-CG2 3.95Å
60N96.5Very high92.5Very high7 Ų754.7 Ų54.74%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-78.9116.7174.3-178.4-39.5000109.1W29 D62 Q63 N64W29-N60 HydrophobicContact CZ2-CB 3.99Å; W29-N60 CarbonylContact O-C 3.49Å; W29-N60 WeakPolarHBondContact O-CA 3.24Å; N60-D62 VanDerWaalsContact C-N 3.34Å; N60-D62 PolarHBondContact O-N 3.13Å; N60-D62 WeakPolarHBondContact OD1-CB 3.39Å; N60-D62 PolarHBondContact OD1-N 2.86Å; N60-Q63 HydrophobicContact CB-CB 4.29Å; N60-Q63 HydrophobicContact CB-CG 4.45Å; N60-Q63 PolarHBondContact O-N 3.35Å; N60-Q63 PolarHBondContact OD1-N 2.92Å; N60-N64 WeakPolarHBondContact O-CB 3.45Å; N60-N64 PolarHBondContact O-N 3.39Å; N60-N64 PolarHBondContact O-ND2 3.08Å
61I94.9Very high92.6Very high38 Ų3857.1 Ų57.120%0.19532%0.316CS..THydrogen-bonded Turntrans-72.8-23.4-173.266.8161.3000114F28 W29 A30 L59 A68 I76F28-I61 HydrophobicContact CB-CG2 4Å; F28-I61 HydrophobicContact CD1-CG2 4.04Å; W29-I61 PolarHBondContact O-N 3.31Å; A30-I61 HydrophobicContact CB-CG1 4.08Å; L59-I61 HydrophobicContact CD2-CG2 4.26Å; L59-I61 PolarHBondContact O-N 3.18Å; I61-A68 HydrophobicContact CB-CB 4.47Å; I61-A68 HydrophobicContact CG2-CB 3.98Å; I61-I76 HydrophobicContact CD1-CD1 3.89Å; I61-I76 HydrophobicContact CD1-CG1 4.47Å; I61-I76 HydrophobicContact CD1-CG2 3.83Å; I61-I76 HydrophobicContact CG1-CD1 4.35Å; I61-I76 HydrophobicContact CG2-CG2 4.33Å
62D93.9Very high93Very high93 Ų9353.4 Ų53.450%0.49731%0.312SS..THydrogen-bonded Turntrans-76.1-34.1177.5-66.1-30.6000110.5A30 W32 N60A30-D62 WeakPolarHBondContact CB-OD2 2.96Å; W32-D62 VanDerWaalsContact CD1-OD2 3.23Å; W32-D62 PolarHBondContact NE1-OD1 3.17Å; W32-D62 PolarHBondContact NE1-OD2 3.4Å; N60-D62 VanDerWaalsContact C-N 3.34Å; N60-D62 PolarHBondContact O-N 3.13Å; N60-D62 WeakPolarHBondContact OD1-CB 3.39Å; N60-D62 PolarHBondContact OD1-N 2.86Å
63Q94.5Very high93.3Very high132 Ų13250.7 Ų50.762%0.61728%0.278SS*.THydrogen-bonded Turntrans-86.1-23.1179-64.6178-0.800112.9N60N60-Q63 HydrophobicContact CB-CB 4.29Å; N60-Q63 HydrophobicContact CB-CG 4.45Å; N60-Q63 PolarHBondContact O-N 3.35Å; N60-Q63 PolarHBondContact OD1-N 2.92Å
64N95Very high93.5Very high16 Ų1654.6 Ų54.69%0.08629%0.288CS..  trans-130.870-174.8-57.6-79.4000110.8T9 D10 L59 N60 G66T9-N64 WeakPolarHBondContact CA-OD1 3.26Å; T9-N64 WeakPolarHBondContact CB-OD1 3.46Å; D10-N64 HydrophobicContact CB-CB 4.47Å; D10-N64 PolarHBondContact N-OD1 3.19Å; D10-N64 VanDerWaalsContact OD2-CA 3.29Å; D10-N64 WeakPolarHBondContact OD2-CA 3.41Å; L59-N64 HydrophobicContact CD1-CB 4.33Å; L59-N64 HydrophobicContact CD2-CB 3.91Å; L59-N64 HydrophobicContact CG-CB 4.04Å; N60-N64 WeakPolarHBondContact O-CB 3.45Å; N60-N64 PolarHBondContact O-N 3.39Å; N60-N64 PolarHBondContact O-ND2 3.08Å; N64-G66 PolarHBondContact O-N 2.9Å
65P92.4Very high93.3Very high88 Ų8855.7 Ų55.757%0.57130%0.301SS*.THydrogen-bonded Turntrans-73.1-11-171.930.8-36.6000113.8P69P65-P69 WeakPolarHBondContact O-CD 3.17Å; P65-P69 VanDerWaalsContact O-CG 3.29Å; P65-P69 WeakPolarHBondContact O-CG 3.34Å
66G93.5Very high93.3Very high32 Ų3254.4 Ų54.433%0.3329%0.292SS..THydrogen-bonded Turntrans-80.9-33.4-174.700000114.5D10 N64 K70D10-G66 PolarHBondContact OD1-N 2.99Å; D10-G66 WeakPolarHBondContact OD2-CA 3.29Å; D10-G66 PolarHBondContact OD2-N 3.47Å; N64-G66 PolarHBondContact O-N 2.9Å; G66-K70 WeakPolarHBondContact O-CE 3.49Å; G66-K70 WeakPolarHBondContact O-CG 3.29Å
67T93.4Very high93.2Very high2 Ų254.4 Ų54.41%0.01229%0.292CS..Hα-helixtrans-83.1-46.9-172.6-61.80000112.8D10 F13 F28 L59 K70 Y71D10-T67 WeakPolarHBondContact OD1-CB 3.36Å; D10-T67 PolarHBondContact OD1-N 3.44Å; D10-T67 PolarHBondContact OD1-OG1 2.65Å; F13-T67 HydrophobicContact CD1-CG2 4.13Å; F13-T67 HydrophobicContact CD2-CG2 3.56Å; F13-T67 HydrophobicContact CE1-CG2 4.21Å; F13-T67 HydrophobicContact CE2-CG2 3.62Å; F13-T67 HydrophobicContact CG-CG2 3.81Å; F13-T67 HydrophobicContact CZ-CG2 3.96Å; F28-T67 HydrophobicContact CE1-CG2 4.15Å; F28-T67 HydrophobicContact CZ-CG2 4.39Å; L59-T67 HydrophobicContact CD1-CG2 3.95Å; T67-K70 WeakPolarHBondContact O-CB 3.47Å; T67-K70 PolarHBondContact O-N 3.24Å; T67-Y71 HydrophobicContact CG2-CD2 4.07Å; T67-Y71 HydrophobicContact CG2-CE2 3.9Å; T67-Y71 WeakPolarHBondContact O-CD2 3.07Å
68A91.2Very high93.2Very high9 Ų954.5 Ų54.57%0.07429%0.292CS..Hα-helixtrans-55.8-41.5-175.100000114F28 I61 K70 Y71 G72 I73F28-A68 HydrophobicContact CD1-CB 3.97Å; F28-A68 HydrophobicContact CE1-CB 4.15Å; I61-A68 HydrophobicContact CB-CB 4.47Å; I61-A68 HydrophobicContact CG2-CB 3.98Å; A68-K70 VanDerWaalsContact C-N 3.34Å; A68-K70 PolarHBondContact O-N 3.36Å; A68-Y71 PolarHBondContact O-N 2.95Å; A68-G72 PolarHBondContact O-N 2.9Å; A68-I73 HydrophobicContact CB-CB 4.1Å; A68-I73 HydrophobicContact CB-CG1 4.33Å; A68-I73 WeakPolarHBondContact O-CB 3.13Å; A68-I73 WeakPolarHBondContact O-CG1 3.43Å; A68-I73 PolarHBondContact O-N 3.35Å; A68-I73 VanDerWaalsContact O-N 3.14Å
69P91.9Very high93.2Very high91 Ų9153.5 Ų53.559%0.59129%0.288SS*.Hα-helixtrans-64.2-32.4175.9-24.135.8000114.3P65 Y71 G72P65-P69 WeakPolarHBondContact O-CD 3.17Å; P65-P69 VanDerWaalsContact O-CG 3.29Å; P65-P69 WeakPolarHBondContact O-CG 3.34Å; P69-Y71 PolarHBondContact O-N 3.38Å; P69-G72 PolarHBondContact O-N 3.17Å; P69-G72 VanDerWaalsContact O-N 3.09Å
70K92.6Very high93.1Very high158 Ų15853.6 Ų53.669%0.68729%0.289SS*.Hα-helixtrans-62.5-29.6-179.8-63.9173.5-174.7171.20112.2G66 T67 A68G66-K70 WeakPolarHBondContact O-CE 3.49Å; G66-K70 WeakPolarHBondContact O-CG 3.29Å; T67-K70 WeakPolarHBondContact O-CB 3.47Å; T67-K70 PolarHBondContact O-N 3.24Å; A68-K70 VanDerWaalsContact C-N 3.34Å; A68-K70 PolarHBondContact O-N 3.36Å
71Y92.3Very high93.1Very high70 Ų7053.3 Ų53.328%0.27529%0.287SS..THydrogen-bonded Turntrans-103.111.4177.9-61.2-79.8000113.4F13 T67 A68 P69 I73 L80 F82 V87F13-Y71 HydrophobicContact CD1-CE2 4.42Å; F13-Y71 AromaticContact CE1-CE2 3.59Å; F13-Y71 HydrophobicContact CE1-CE2 3.59Å; F13-Y71 AromaticContact CE1-CZ 3.74Å; F13-Y71 WeakPolarHBondContact CE1-OH 3.28Å; F13-Y71 AromaticContact CZ-CE2 3.78Å; F13-Y71 HydrophobicContact CZ-CE2 3.78Å; T67-Y71 HydrophobicContact CG2-CD2 4.07Å; T67-Y71 HydrophobicContact CG2-CE2 3.9Å; T67-Y71 WeakPolarHBondContact O-CD2 3.07Å; A68-Y71 PolarHBondContact O-N 2.95Å; P69-Y71 PolarHBondContact O-N 3.38Å; Y71-I73 VanDerWaalsContact C-N 3.29Å; Y71-I73 PolarHBondContact O-N 3.36Å; Y71-L80 HydrophobicContact CD1-CD1 4.04Å; Y71-L80 HydrophobicContact CD2-CD1 4.47Å; Y71-L80 HydrophobicContact CG-CD1 3.8Å; Y71-F82 HydrophobicContact CD1-CZ 4.2Å; Y71-F82 AromaticContact CE1-CE1 3.8Å; Y71-F82 HydrophobicContact CE1-CE1 3.8Å; Y71-F82 AromaticContact CE1-CZ 3.72Å; Y71-F82 HydrophobicContact CE1-CZ 3.72Å; Y71-F82 HydrophobicContact CE2-CZ 4.38Å; Y71-F82 AromaticContact CZ-CZ 3.84Å; Y71-V87 HydrophobicContact CD1-CG2 3.91Å; Y71-V87 HydrophobicContact CE1-CG2 3.9Å
72G90.1Very high93Very high50 Ų5051.5 Ų51.552%0.51528%0.278SS..THydrogen-bonded Turntrans66.126.7175.700000114.7A68 P69 R74A68-G72 PolarHBondContact O-N 2.9Å; P69-G72 PolarHBondContact O-N 3.17Å; P69-G72 VanDerWaalsContact O-N 3.09Å; G72-R74 PolarHBondContact O-N 3.47Å
73I90.2Very high92.7Very high27 Ų2750 Ų5014%0.13827%0.267CS..  trans-68.7114.9179.5-53.3-64000109.6F28 A68 Y71 G75 I76 T78 L80F28-I73 HydrophobicContact CB-CG2 4.29Å; F28-I73 HydrophobicContact CD1-CG1 4.13Å; F28-I73 HydrophobicContact CD2-CD1 4.18Å; F28-I73 HydrophobicContact CD2-CG1 4.38Å; F28-I73 HydrophobicContact CE1-CG1 4.26Å; F28-I73 HydrophobicContact CE2-CD1 4.36Å; F28-I73 HydrophobicContact CG-CD1 4.41Å; F28-I73 HydrophobicContact CG-CG1 4.2Å; F28-I73 HydrophobicContact CZ-CG1 4.45Å; A68-I73 HydrophobicContact CB-CB 4.1Å; A68-I73 HydrophobicContact CB-CG1 4.33Å; A68-I73 WeakPolarHBondContact O-CB 3.13Å; A68-I73 WeakPolarHBondContact O-CG1 3.43Å; A68-I73 PolarHBondContact O-N 3.35Å; A68-I73 VanDerWaalsContact O-N 3.14Å; Y71-I73 VanDerWaalsContact C-N 3.29Å; Y71-I73 PolarHBondContact O-N 3.36Å; I73-G75 WeakPolarHBondContact CG2-O 3.48Å; I73-I76 HydrophobicContact CG2-CG2 4.4Å; I73-T78 HydrophobicContact CD1-CG2 3.47Å; I73-T78 VanDerWaalsContact CD1-CG2 3.47Å; I73-L80 HydrophobicContact CD1-CD1 4.16Å; I73-L80 HydrophobicContact CD1-CD2 4.38Å; I73-L80 HydrophobicContact CD1-CG 4.24Å
74R88.3Confident92.1Very high246 Ų24649.4 Ų49.493%0.92827%0.268SS*.  trans-114-3-178.7-66-177.9-175.7-174.31114.4G72G72-R74 PolarHBondContact O-N 3.47Å
75G88.7Confident91.6Very high31 Ų3149.5 Ų49.532%0.3227%0.273SS..SBendtrans-157.6157.4-179.700000110.2I73 T78I73-G75 WeakPolarHBondContact CG2-O 3.48Å; G75-T78 PolarHBondContact O-OG1 3.43Å
76I93Very high91.3Very high29 Ų2952.6 Ų52.615%0.14928%0.279CS..SBendtrans-132.6149.2-17953.6168000110.9F28 A30 W32 C33 I61 I73F28-I76 HydrophobicContact CB-CG2 4.34Å; F28-I76 VanDerWaalsContact O-CG2 3.23Å; F28-I76 WeakPolarHBondContact O-CG2 3.47Å; A30-I76 HydrophobicContact CB-CD1 3.4Å; A30-I76 VanDerWaalsContact CB-CD1 3.4Å; W32-I76 HydrophobicContact CH2-CD1 3.79Å; W32-I76 HydrophobicContact CH2-CG1 4.15Å; W32-I76 HydrophobicContact CZ2-CD1 3.83Å; W32-I76 HydrophobicContact CZ3-CD1 4.33Å; C33-I76 HydrophobicContact CB-CD1 3.61Å; C33-I76 HydrophobicContact CB-CG1 4.16Å; I61-I76 HydrophobicContact CD1-CD1 3.89Å; I61-I76 HydrophobicContact CD1-CG1 4.47Å; I61-I76 HydrophobicContact CD1-CG2 3.83Å; I61-I76 HydrophobicContact CG1-CD1 4.35Å; I61-I76 HydrophobicContact CG2-CG2 4.33Å; I73-I76 HydrophobicContact CG2-CG2 4.4Å
77P94.5Very high91.2Very high1 Ų154 Ų541%0.00628%0.282CS..SBendcis-69.8142.8-3.730.3-34.2000111F28 P35 C36 I39 G93 A94F28-P77 WeakPolarHBondContact O-CA 3.37Å; P35-P77 HydrophobicContact CB-CG 4.39Å; C36-P77 HydrophobicContact CB-CB 4.48Å; I39-P77 HydrophobicContact CG2-CB 4.22Å; I39-P77 HydrophobicContact CG2-CG 4.21Å; P77-G93 PolarHBondContact O-N 3.26Å; P77-A94 HydrophobicContact CG-CB 4.34Å
78T95.9Very high90.8Very high3 Ų356.2 Ų56.22%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-125.3129.6166.6-67.60000108F28 I73 G75 L80 T90 K91 V92F28-T78 WeakPolarHBondContact CD2-O 3.41Å; F28-T78 PolarHBondContact N-O 3.47Å; F28-T78 PolarHBondContact O-N 2.95Å; I73-T78 HydrophobicContact CD1-CG2 3.47Å; I73-T78 VanDerWaalsContact CD1-CG2 3.47Å; G75-T78 PolarHBondContact O-OG1 3.43Å; T78-L80 HydrophobicContact CG2-CD2 4.46Å; T78-T90 HydrophobicContact CG2-CG2 4.05Å; T78-K91 CarbonylContact C-O 3.58Å; T78-K91 WeakPolarHBondContact CA-O 3.23Å; T78-V92 HydrophobicContact CG2-CG2 4.01Å
79L96.5Very high90.7Very high0 Ų056.4 Ų56.40%030%0.301CS..EExtended strand (participates in β ladder)trans-102.1126.7176.5-54.6178.1000109.2L25 V26 D27 I39 L43 T90 K91 L95 L100L25-L79 HydrophobicContact CD1-CB 4Å; L25-L79 HydrophobicContact CD2-CD1 4.49Å; V26-L79 CarbonylContact O-C 3.33Å; V26-L79 VanDerWaalsContact O-CA 3.31Å; V26-L79 WeakPolarHBondContact O-CA 3.34Å; D27-L79 HydrophobicContact CB-CD2 3.53Å; I39-L79 HydrophobicContact CD1-CD1 3.94Å; L43-L79 HydrophobicContact CD1-CD2 4.42Å; L43-L79 HydrophobicContact CD2-CD2 4.32Å; L79-T90 CarbonylContact O-C 3.43Å; L79-T90 WeakPolarHBondContact O-CA 3.35Å; L79-K91 HydrophobicContact CB-CB 4.37Å; L79-K91 PolarHBondContact N-O 3.09Å; L79-K91 PolarHBondContact O-N 2.92Å; L79-L95 HydrophobicContact CD1-CD1 4.35Å; L79-L100 HydrophobicContact CD1-CD1 3.56Å; L79-L100 HydrophobicContact CD1-CD2 4.49Å
80L96.4Very high90.8Very high3 Ų355.7 Ų55.72%0.01630%0.296CS..EExtended strand (participates in β ladder)trans-111.4126.8167.7-64.4-174.4000109.2L25 V26 F28 Y71 I73 T78 F82 V87 T90L25-L80 CarbonylContact C-O 3.57Å; L25-L80 WeakPolarHBondContact CA-O 3.47Å; V26-L80 PolarHBondContact N-O 3.26Å; V26-L80 PolarHBondContact O-N 3.05Å; F28-L80 HydrophobicContact CD2-CG 4.36Å; F28-L80 HydrophobicContact CE2-CB 4.2Å; F28-L80 HydrophobicContact CE2-CD1 3.6Å; F28-L80 HydrophobicContact CE2-CG 3.77Å; F28-L80 HydrophobicContact CZ-CD1 4.03Å; Y71-L80 HydrophobicContact CD1-CD1 4.04Å; Y71-L80 HydrophobicContact CD2-CD1 4.47Å; Y71-L80 HydrophobicContact CG-CD1 3.8Å; I73-L80 HydrophobicContact CD1-CD1 4.16Å; I73-L80 HydrophobicContact CD1-CD2 4.38Å; I73-L80 HydrophobicContact CD1-CG 4.24Å; T78-L80 HydrophobicContact CG2-CD2 4.46Å; L80-F82 HydrophobicContact CB-CD2 4.19Å; L80-F82 HydrophobicContact CB-CE2 3.61Å; L80-F82 HydrophobicContact CB-CZ 4.39Å; L80-F82 HydrophobicContact CD1-CE2 4.03Å; L80-F82 HydrophobicContact CD1-CZ 4.06Å; L80-F82 HydrophobicContact CG-CE2 4.49Å; L80-V87 HydrophobicContact CD2-CG1 4.28Å; L80-T90 HydrophobicContact CD2-CG2 3.55Å; L80-T90 WeakPolarHBondContact CD2-OG1 3.42Å
81L94.7Very high90.7Very high0 Ų052.1 Ų52.10%028%0.28CS..EExtended strand (participates in β ladder)trans-94.3120.7169.1-178.768.3000108.6A23 I24 L25 L54 V87 A88 A89 L104 N107 L108A23-L81 HydrophobicContact CB-CD1 4.43Å; I24-L81 CarbonylContact O-C 3.54Å; I24-L81 WeakPolarHBondContact O-CA 3.23Å; L25-L81 HydrophobicContact CB-CD1 4.35Å; L25-L81 HydrophobicContact CD1-CB 4.23Å; L25-L81 HydrophobicContact CD1-CD1 4.41Å; L54-L81 HydrophobicContact CD1-CD1 3.65Å; L81-V87 CarbonylContact O-C 3.59Å; L81-A88 HydrophobicContact CD2-CB 4.37Å; L81-A88 HydrophobicContact CG-CB 4.37Å; L81-A88 PolarHBondContact O-N 3.33Å; L81-A89 HydrophobicContact CB-CB 4.31Å; L81-A89 PolarHBondContact N-O 3.13Å; L81-A89 PolarHBondContact O-N 3.15Å; L81-L104 HydrophobicContact CD1-CD2 4.3Å; L81-N107 HydrophobicContact CD2-CB 3.5Å; L81-N107 VanDerWaalsContact CD2-CB 3.5Å; L81-L108 HydrophobicContact CD1-CD2 4.16Å; L81-L108 HydrophobicContact CD2-CD2 4.29Å
82F93.8Very high90.8Very high1 Ų153.5 Ų53.50%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-98.7143.4171.3-69.6-100.1000110.2F13 V17 L18 A23 I24 V26 Y71 L80 E86 V87F13-F82 HydrophobicContact CE1-CE1 4.38Å; F13-F82 HydrophobicContact CE1-CZ 4.02Å; F13-F82 HydrophobicContact CZ-CE1 4.41Å; F13-F82 AromaticContact CZ-CE2 3.89Å; F13-F82 HydrophobicContact CZ-CE2 3.89Å; F13-F82 AromaticContact CZ-CZ 3.64Å; F13-F82 HydrophobicContact CZ-CZ 3.64Å; V17-F82 HydrophobicContact CG1-CB 3.9Å; V17-F82 HydrophobicContact CG1-CD1 3.74Å; V17-F82 HydrophobicContact CG1-CD2 3.54Å; V17-F82 HydrophobicContact CG1-CE1 4.11Å; V17-F82 HydrophobicContact CG1-CE2 3.92Å; V17-F82 HydrophobicContact CG1-CG 3.44Å; V17-F82 VanDerWaalsContact CG1-CG 3.44Å; V17-F82 HydrophobicContact CG1-CZ 4.2Å; L18-F82 HydrophobicContact CD2-CD1 4.22Å; L18-F82 HydrophobicContact CD2-CE1 3.94Å; A23-F82 CarbonylContact C-O 3.57Å; A23-F82 VanDerWaalsContact CA-O 3.27Å; A23-F82 WeakPolarHBondContact CA-O 3.41Å; I24-F82 HydrophobicContact CB-CB 4.48Å; I24-F82 PolarHBondContact N-O 3.3Å; I24-F82 PolarHBondContact O-N 3.47Å; V26-F82 HydrophobicContact CB-CE2 4.39Å; V26-F82 HydrophobicContact CG2-CD2 3.9Å; V26-F82 HydrophobicContact CG2-CE2 3.92Å; Y71-F82 HydrophobicContact CD1-CZ 4.2Å; Y71-F82 AromaticContact CE1-CE1 3.8Å; Y71-F82 HydrophobicContact CE1-CE1 3.8Å; Y71-F82 AromaticContact CE1-CZ 3.72Å; Y71-F82 HydrophobicContact CE1-CZ 3.72Å; Y71-F82 HydrophobicContact CE2-CZ 4.38Å; Y71-F82 AromaticContact CZ-CZ 3.84Å; L80-F82 HydrophobicContact CB-CD2 4.19Å; L80-F82 HydrophobicContact CB-CE2 3.61Å; L80-F82 HydrophobicContact CB-CZ 4.39Å; L80-F82 HydrophobicContact CD1-CE2 4.03Å; L80-F82 HydrophobicContact CD1-CZ 4.06Å; L80-F82 HydrophobicContact CG-CE2 4.49Å; F82-E86 CarbonylContact C-O 3.59Å; F82-E86 WeakPolarHBondContact CA-O 3.34Å; F82-V87 HydrophobicContact CD1-CG2 4.04Å; F82-V87 HydrophobicContact CE1-CG2 3.46Å; F82-V87 VanDerWaalsContact CE1-CG2 3.46Å; F82-V87 HydrophobicContact CE2-CG2 4.45Å; F82-V87 HydrophobicContact CZ-CG2 3.69Å
83K88.4Confident90.7Very high61 Ų6152.4 Ų52.427%0.26528%0.284SS..EExtended strand (participates in β ladder)trans-131120.5167.2-74.1-171.6174.5-173.50108.6A23 G85 E86 A88 N107A23-K83 HydrophobicContact CB-CG 4.22Å; K83-G85 PolarHBondContact O-N 3.47Å; K83-E86 PolarHBondContact N-O 3.49Å; K83-E86 PolarHBondContact O-N 3.41Å; K83-A88 HydrophobicContact CB-CB 4.19Å; K83-A88 HydrophobicContact CD-CB 4.07Å; K83-A88 HydrophobicContact CG-CB 3.86Å; K83-N107 WeakPolarHBondContact CE-O 3.31Å; K83-N107 PolarHBondContact NZ-O 2.96Å
84N81.5Confident90.7Very high120 Ų12053 Ų5364%0.64229%0.293SS*.THydrogen-bonded Turntrans49.144.4180-54.4-26.8000112.5G22 E86G22-N84 PolarHBondContact N-OD1 3.4Å; G22-N84 PolarHBondContact O-N 2.97Å; G22-N84 VanDerWaalsContact O-N 3.12Å; N84-E86 VanDerWaalsContact C-N 3.34Å; N84-E86 PolarHBondContact O-N 2.95Å
85G84.5Confident90.7Very high18 Ų1842.1 Ų42.119%0.18625%0.253CS..THydrogen-bonded Turntrans81.5-7.517900000117.1L18 K83L18-G85 WeakPolarHBondContact CD2-O 3.3Å; L18-G85 WeakPolarHBondContact O-CA 3.5Å; K83-G85 PolarHBondContact O-N 3.47Å
86E86.8Confident90.8Very high152 Ų15243.5 Ų43.571%0.7126%0.258SS*.EExtended strand (participates in β ladder)trans-103.2145.4177.3-63.8-168.1165.900112.4F82 K83 N84 A88F82-E86 CarbonylContact C-O 3.59Å; F82-E86 WeakPolarHBondContact CA-O 3.34Å; K83-E86 PolarHBondContact N-O 3.49Å; K83-E86 PolarHBondContact O-N 3.41Å; N84-E86 VanDerWaalsContact C-N 3.34Å; N84-E86 PolarHBondContact O-N 2.95Å; E86-A88 PolarHBondContact O-N 3.21Å; E86-A88 VanDerWaalsContact O-N 3.12Å
87V90.3Very high90.7Very high63 Ų6345.2 Ų45.238%0.38227%0.265SS..EExtended strand (participates in β ladder)trans-70.2108.3175.2179.90000109.3Y71 L80 L81 F82Y71-V87 HydrophobicContact CD1-CG2 3.91Å; Y71-V87 HydrophobicContact CE1-CG2 3.9Å; L80-V87 HydrophobicContact CD2-CG1 4.28Å; L81-V87 CarbonylContact O-C 3.59Å; F82-V87 HydrophobicContact CD1-CG2 4.04Å; F82-V87 HydrophobicContact CE1-CG2 3.46Å; F82-V87 VanDerWaalsContact CE1-CG2 3.46Å; F82-V87 HydrophobicContact CE2-CG2 4.45Å; F82-V87 HydrophobicContact CZ-CG2 3.69Å
88A85.7Confident90.5Very high47 Ų4747 Ų4739%0.38828%0.283SS..EExtended strand (participates in β ladder)trans-82.5-37178.100000112.6L81 K83 E86L81-A88 HydrophobicContact CD2-CB 4.37Å; L81-A88 HydrophobicContact CG-CB 4.37Å; L81-A88 PolarHBondContact O-N 3.33Å; K83-A88 HydrophobicContact CB-CB 4.19Å; K83-A88 HydrophobicContact CD-CB 4.07Å; K83-A88 HydrophobicContact CG-CB 3.86Å; E86-A88 PolarHBondContact O-N 3.21Å; E86-A88 VanDerWaalsContact O-N 3.12Å
89A89.4Confident90.2Very high13 Ų1351.5 Ų51.511%0.10730%0.304CS..EExtended strand (participates in β ladder)trans-158.9154.618000000113L81 F103 N107L81-A89 HydrophobicContact CB-CB 4.31Å; L81-A89 PolarHBondContact N-O 3.13Å; L81-A89 PolarHBondContact O-N 3.15Å; A89-F103 HydrophobicContact CB-CE2 3.71Å; A89-F103 HydrophobicContact CB-CZ 3.56Å; A89-N107 HydrophobicContact CB-CB 4.26Å; A89-N107 WeakPolarHBondContact CB-OD1 3.23Å
90T92.3Very high90Very high77 Ų7751.5 Ų51.547%0.47230%0.304SS..EExtended strand (participates in β ladder)trans-127.5137.7178.7-57.40000110.5T78 L79 L80 V92T78-T90 HydrophobicContact CG2-CG2 4.05Å; L79-T90 CarbonylContact O-C 3.43Å; L79-T90 WeakPolarHBondContact O-CA 3.35Å; L80-T90 HydrophobicContact CD2-CG2 3.55Å; L80-T90 WeakPolarHBondContact CD2-OG1 3.42Å; T90-V92 HydrophobicContact CG2-CG2 4.32Å
91K92.2Very high89.8Confident83 Ų8353.9 Ų53.936%0.36131%0.314SS..EExtended strand (participates in β ladder)trans-135.4121.9172.4-163.274.8172.2-171.60111.2T78 L79 L95 F103T78-K91 CarbonylContact C-O 3.58Å; T78-K91 WeakPolarHBondContact CA-O 3.23Å; L79-K91 HydrophobicContact CB-CB 4.37Å; L79-K91 PolarHBondContact N-O 3.09Å; L79-K91 PolarHBondContact O-N 2.92Å; K91-L95 HydrophobicContact CB-CD1 4.48Å; K91-L95 HydrophobicContact CD-CD1 4.37Å; K91-L95 HydrophobicContact CD-CD2 4.4Å; K91-L95 VanDerWaalsContact CE-CD2 3.44Å; K91-L95 HydrophobicContact CG-CD1 3.58Å; K91-L95 HydrophobicContact CG-CD2 4.06Å; K91-L95 HydrophobicContact CG-CG 4.12Å; K91-F103 HydrophobicContact CB-CD2 4.31Å; K91-F103 HydrophobicContact CB-CE1 4.37Å; K91-F103 HydrophobicContact CB-CE2 3.95Å; K91-F103 HydrophobicContact CB-CZ 3.98Å; K91-F103 HydrophobicContact CD-CD2 4.2Å; K91-F103 HydrophobicContact CD-CE2 4.42Å
92V92.6Very high89.5Confident99 Ų9960.6 Ų60.660%0.635%0.346SS*.EExtended strand (participates in β ladder)trans-102.5135179.6-177.30000109.7T78 T90T78-V92 HydrophobicContact CG2-CG2 4.01Å; T90-V92 HydrophobicContact CG2-CG2 4.32Å
93G89.4Confident89.3Confident26 Ų2661.7 Ų61.727%0.26835%0.35SS..SBendtrans96.6165.5178.500000114P77P77-G93 PolarHBondContact O-N 3.26Å
94A89.4Confident89.4Confident40 Ų4058.8 Ų58.833%0.33134%0.338SS..  trans-70.6139.4177.400000111.2P35 M38 P77P35-A94 HydrophobicContact CB-CB 3.95Å; M38-A94 HydrophobicContact SD-CB 4.5Å; P77-A94 HydrophobicContact CG-CB 4.34Å
95L88.1Confident89.6Confident17 Ų1757.1 Ų57.19%0.08933%0.329CS..  trans-117.3149.7177.1-62178.2000110.5I39 I42 L79 K91 Q99 L100I39-L95 HydrophobicContact CD1-CB 4.44Å; I42-L95 WeakPolarHBondContact CD1-O 3.47Å; L79-L95 HydrophobicContact CD1-CD1 4.35Å; K91-L95 HydrophobicContact CB-CD1 4.48Å; K91-L95 HydrophobicContact CD-CD1 4.37Å; K91-L95 HydrophobicContact CD-CD2 4.4Å; K91-L95 VanDerWaalsContact CE-CD2 3.44Å; K91-L95 HydrophobicContact CG-CD1 3.58Å; K91-L95 HydrophobicContact CG-CD2 4.06Å; K91-L95 HydrophobicContact CG-CG 4.12Å; L95-Q99 HydrophobicContact CB-CB 4.08Å; L95-Q99 HydrophobicContact CD2-CB 4.17Å; L95-L100 HydrophobicContact CB-CB 4.28Å; L95-L100 HydrophobicContact CD1-CB 4.17Å; L95-L100 HydrophobicContact CD1-CD1 3.97Å
96S90.9Very high89.4Confident61 Ų6159.2 Ų59.243%0.42735%0.345SS..  trans-69.6160.9162.275.70000110.6G98 Q99 L100S96-G98 VanDerWaalsContact C-N 3.26Å; S96-G98 PolarHBondContact O-N 2.98Å; S96-Q99 PolarHBondContact O-N 3.2Å; S96-Q99 VanDerWaalsContact O-N 3.15Å; S96-Q99 WeakPolarHBondContact OG-CG 3.41Å; S96-Q99 PolarHBondContact OG-N 3.16Å; S96-Q99 PolarHBondContact OG-OE1 3.02Å; S96-L100 PolarHBondContact O-N 2.85Å
97K91.7Very high89.2Confident65 Ų6554.3 Ų54.328%0.28332%0.323SS..Hα-helixtrans-54.1-42.7176.7-174.3174.7-175.6174.90112.3I42 E45 E49 L100 K101I42-K97 HydrophobicContact CG2-CB 3.8Å; I42-K97 HydrophobicContact CG2-CG 4.12Å; E45-K97 VanDerWaalsContact OE2-CD 3.25Å; E45-K97 WeakPolarHBondContact OE2-CD 3.49Å; E45-K97 VanDerWaalsContact OE2-CE 3.29Å; E45-K97 WeakPolarHBondContact OE2-CE 3.49Å; E45-K97 IonicContact OE2-NZ 2.72Å; E45-K97 PolarHBondContact OE2-NZ 3.17Å; E49-K97 IonicContact OE2-NZ 2.65Å; K97-L100 PolarHBondContact O-N 2.81Å; K97-K101 WeakPolarHBondContact O-CG 2.96Å; K97-K101 PolarHBondContact O-N 2.04Å
98G89.6Confident88.7Confident39 Ų3952.6 Ų52.640%0.40231%0.312SS..Hα-helixtrans-61.5-46.3177.600000112.6S96 L100 K101 E102S96-G98 VanDerWaalsContact C-N 3.26Å; S96-G98 PolarHBondContact O-N 2.98Å; G98-L100 VanDerWaalsContact C-N 3.33Å; G98-L100 PolarHBondContact O-N 2.82Å; G98-K101 PolarHBondContact O-N 3.29Å; G98-E102 WeakPolarHBondContact O-CG 3.14Å; G98-E102 PolarHBondContact O-N 2.69Å
99Q91Very high87.4Confident97 Ų9752.2 Ų52.245%0.45331%0.308SS..Hα-helixtrans-65.2-35.8178.1-70.7173.2-4400112.7L95 S96 F103L95-Q99 HydrophobicContact CB-CB 4.08Å; L95-Q99 HydrophobicContact CD2-CB 4.17Å; S96-Q99 PolarHBondContact O-N 3.2Å; S96-Q99 VanDerWaalsContact O-N 3.15Å; S96-Q99 WeakPolarHBondContact OG-CG 3.41Å; S96-Q99 PolarHBondContact OG-N 3.16Å; S96-Q99 PolarHBondContact OG-OE1 3.02Å; Q99-F103 WeakPolarHBondContact O-CB 3.33Å; Q99-F103 PolarHBondContact O-N 2.84Å
100L92.3Very high85.4Confident0 Ų056.7 Ų56.70%034%0.335CS..Hα-helixtrans-70.4-39.7176.7-175.754000111.6L25 I39 I42 L43 I46 L79 L95 S96 K97 G98 F103 L104L25-L100 HydrophobicContact CD2-CD1 4.28Å; I39-L100 HydrophobicContact CD1-CD2 4.5Å; I42-L100 HydrophobicContact CG2-CD2 4.1Å; L43-L100 HydrophobicContact CD2-CD2 3.83Å; I46-L100 HydrophobicContact CD1-CG 4.47Å; I46-L100 HydrophobicContact CG1-CD2 3.81Å; I46-L100 HydrophobicContact CG1-CG 4.21Å; L79-L100 HydrophobicContact CD1-CD1 3.56Å; L79-L100 HydrophobicContact CD1-CD2 4.49Å; L95-L100 HydrophobicContact CB-CB 4.28Å; L95-L100 HydrophobicContact CD1-CB 4.17Å; L95-L100 HydrophobicContact CD1-CD1 3.97Å; S96-L100 PolarHBondContact O-N 2.85Å; K97-L100 PolarHBondContact O-N 2.81Å; G98-L100 VanDerWaalsContact C-N 3.33Å; G98-L100 PolarHBondContact O-N 2.82Å; L100-F103 HydrophobicContact CD1-CD1 4.15Å; L100-F103 PolarHBondContact O-N 2.65Å; L100-L104 HydrophobicContact CD1-CD1 4.23Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CG-CD1 4.12Å; L100-L104 WeakPolarHBondContact O-CB 3.47Å; L100-L104 VanDerWaalsContact O-CG 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.31Å; L100-L104 PolarHBondContact O-N 3.1Å
101K91.8Very high83.3Confident52 Ų5258.4 Ų58.423%0.22634%0.337CS..Hα-helixtrans-61.4-49.2171.9-73.6-172.6-178.7-170.30112.2I46 E49 Y50 K97 G98 F103 L104 D105I46-K101 HydrophobicContact CD1-CG 3.73Å; E49-K101 VanDerWaalsContact CD-CE 3.42Å; E49-K101 VanDerWaalsContact OE1-CE 3.3Å; E49-K101 WeakPolarHBondContact OE1-CE 3.36Å; E49-K101 IonicContact OE1-NZ 2.69Å; E49-K101 PolarHBondContact OE1-NZ 3.4Å; E49-K101 WeakPolarHBondContact OE2-CE 3.36Å; E49-K101 IonicContact OE2-NZ 3.59Å; E49-K101 PolarHBondContact OE2-NZ 2.76Å; Y50-K101 HydrophobicContact CE2-CG 4.24Å; K97-K101 WeakPolarHBondContact O-CG 2.96Å; K97-K101 PolarHBondContact O-N 2.04Å; G98-K101 PolarHBondContact O-N 3.29Å; K101-F103 VanDerWaalsContact C-N 3.27Å; K101-F103 PolarHBondContact O-N 3.06Å; K101-L104 CarbonylContact O-C 3.59Å; K101-L104 PolarHBondContact O-N 3.28Å; K101-L104 VanDerWaalsContact O-N 3.09Å; K101-D105 WeakPolarHBondContact O-CB 3.39Å; K101-D105 VanDerWaalsContact O-CG 3.28Å; K101-D105 PolarHBondContact O-N 3.35Å
102E87.1Confident81.4Confident142 Ų14258.5 Ų58.566%0.66435%0.345SS*.Hα-helixtrans-57.3-42.8176.7-75174.2-177.700111.7G98 A106G98-E102 WeakPolarHBondContact O-CG 3.14Å; G98-E102 PolarHBondContact O-N 2.69Å; E102-A106 WeakPolarHBondContact O-CB 3.39Å; E102-A106 PolarHBondContact O-N 2.96Å; E102-A106 VanDerWaalsContact O-N 3.09Å
103F90.3Very high80Confident23 Ų2357.6 Ų57.610%0.10134%0.34CS..Hα-helixtrans-62-45.4174.8171.9-100.4000112L25 A89 K91 Q99 L100 K101 N107L25-F103 HydrophobicContact CD1-CE1 4.16Å; A89-F103 HydrophobicContact CB-CE2 3.71Å; A89-F103 HydrophobicContact CB-CZ 3.56Å; K91-F103 HydrophobicContact CB-CD2 4.31Å; K91-F103 HydrophobicContact CB-CE1 4.37Å; K91-F103 HydrophobicContact CB-CE2 3.95Å; K91-F103 HydrophobicContact CB-CZ 3.98Å; K91-F103 HydrophobicContact CD-CD2 4.2Å; K91-F103 HydrophobicContact CD-CE2 4.42Å; Q99-F103 WeakPolarHBondContact O-CB 3.33Å; Q99-F103 PolarHBondContact O-N 2.84Å; L100-F103 HydrophobicContact CD1-CD1 4.15Å; L100-F103 PolarHBondContact O-N 2.65Å; K101-F103 VanDerWaalsContact C-N 3.27Å; K101-F103 PolarHBondContact O-N 3.06Å; F103-N107 WeakPolarHBondContact O-CB 3.45Å; F103-N107 PolarHBondContact O-N 3.1Å; F103-N107 PolarHBondContact O-ND2 3.5Å
104L91.5Very high79.6Confident0 Ų057 Ų570%033%0.33CS..Hα-helixtrans-69.4-48.2-179.6-73.9173.5000111.8L25 I46 Y50 L54 L81 L100 K101 A106 N107 L108L25-L104 HydrophobicContact CD1-CD2 4.11Å; L25-L104 HydrophobicContact CD2-CD1 4.43Å; L25-L104 HydrophobicContact CD2-CD2 4.2Å; I46-L104 HydrophobicContact CD1-CD1 4.3Å; I46-L104 HydrophobicContact CG2-CD1 3.45Å; I46-L104 VanDerWaalsContact CG2-CD1 3.45Å; Y50-L104 HydrophobicContact CE1-CB 4.28Å; Y50-L104 HydrophobicContact CE2-CD1 4.43Å; L54-L104 HydrophobicContact CD2-CD1 3.67Å; L54-L104 HydrophobicContact CD2-CD2 3.69Å; L54-L104 HydrophobicContact CD2-CG 4.29Å; L81-L104 HydrophobicContact CD1-CD2 4.3Å; L100-L104 HydrophobicContact CD1-CD1 4.23Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CG-CD1 4.12Å; L100-L104 WeakPolarHBondContact O-CB 3.47Å; L100-L104 VanDerWaalsContact O-CG 3.28Å; L100-L104 WeakPolarHBondContact O-CG 3.31Å; L100-L104 PolarHBondContact O-N 3.1Å; K101-L104 CarbonylContact O-C 3.59Å; K101-L104 PolarHBondContact O-N 3.28Å; K101-L104 VanDerWaalsContact O-N 3.09Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 2.83Å; L104-N107 CarbonylContact O-C 3.57Å; L104-N107 PolarHBondContact O-N 3.32Å; L104-N107 VanDerWaalsContact O-N 3.1Å; L104-L108 HydrophobicContact CB-CD1 4.11Å; L104-L108 HydrophobicContact CD2-CD1 4.3Å; L104-L108 WeakPolarHBondContact O-CA 3.49Å; L104-L108 WeakPolarHBondContact O-CB 3.31Å; L104-L108 VanDerWaalsContact O-CG 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.43Å; L104-L108 PolarHBondContact O-N 2.92Å
105D85.6Confident79.5Confident85 Ų8556.6 Ų56.646%0.45532%0.322SS..Hα-helixtrans-60.9-43.6-179.3-67.4-22.1000111.4Y50 K101 N107 A109Y50-D105 VanDerWaalsContact CE1-OD1 3.26Å; Y50-D105 WeakPolarHBondContact CE1-OD1 3.3Å; Y50-D105 VanDerWaalsContact OH-CG 3.26Å; Y50-D105 PolarHBondContact OH-OD1 3.18Å; Y50-D105 PolarHBondContact OH-OD2 3.28Å; K101-D105 WeakPolarHBondContact O-CB 3.39Å; K101-D105 VanDerWaalsContact O-CG 3.28Å; K101-D105 PolarHBondContact O-N 3.35Å; D105-N107 PolarHBondContact O-N 2.88Å; D105-A109 WeakPolarHBondContact O-CB 3.45Å; D105-A109 PolarHBondContact O-N 2.99Å
106A79.3Confident79.5Confident63 Ų6355.9 Ų55.952%0.52132%0.319SS..Hα-helixtrans-62.3-31.3177.100000113E102 L104E102-A106 WeakPolarHBondContact O-CB 3.39Å; E102-A106 PolarHBondContact O-N 2.96Å; E102-A106 VanDerWaalsContact O-N 3.09Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 2.83Å
107N83.3Confident79.3Confident48 Ų4854 Ų5426%0.25731%0.305SS..Hα-helixtrans-103.2-17.8-177.2-68.7-79.1000113.7L81 K83 A89 F103 L104 D105L81-N107 HydrophobicContact CD2-CB 3.5Å; L81-N107 VanDerWaalsContact CD2-CB 3.5Å; K83-N107 WeakPolarHBondContact CE-O 3.31Å; K83-N107 PolarHBondContact NZ-O 2.96Å; A89-N107 HydrophobicContact CB-CB 4.26Å; A89-N107 WeakPolarHBondContact CB-OD1 3.23Å; F103-N107 WeakPolarHBondContact O-CB 3.45Å; F103-N107 PolarHBondContact O-N 3.1Å; F103-N107 PolarHBondContact O-ND2 3.5Å; L104-N107 CarbonylContact O-C 3.57Å; L104-N107 PolarHBondContact O-N 3.32Å; L104-N107 VanDerWaalsContact O-N 3.1Å; D105-N107 PolarHBondContact O-N 2.88Å
108L79.8Confident79Confident28 Ų2856.7 Ų56.715%0.14732%0.318CS..Hα-helixtrans-94.1-20.5178.2-74.3179.1000112.8A23 Y50 L54 L81 L104 T110A23-L108 HydrophobicContact CB-CD2 3.28Å; Y50-L108 HydrophobicContact CD1-CD1 3.77Å; Y50-L108 HydrophobicContact CE1-CD1 4.05Å; L54-L108 HydrophobicContact CB-CD1 4.05Å; L54-L108 HydrophobicContact CD1-CD1 4.31Å; L54-L108 HydrophobicContact CD1-CD2 4.17Å; L54-L108 HydrophobicContact CD2-CD1 4.25Å; L54-L108 HydrophobicContact CG-CD1 4.44Å; L81-L108 HydrophobicContact CD1-CD2 4.16Å; L81-L108 HydrophobicContact CD2-CD2 4.29Å; L104-L108 HydrophobicContact CB-CD1 4.11Å; L104-L108 HydrophobicContact CD2-CD1 4.3Å; L104-L108 WeakPolarHBondContact O-CA 3.49Å; L104-L108 WeakPolarHBondContact O-CB 3.31Å; L104-L108 VanDerWaalsContact O-CG 3.28Å; L104-L108 WeakPolarHBondContact O-CG 3.43Å; L104-L108 PolarHBondContact O-N 2.92Å; L108-T110 PolarHBondContact O-N 2.89Å
109A58.8Low79.1Confident38 Ų3855.2 Ų55.231%0.31430%0.301SS..SBendtrans-44.9111.4164.900000107.3D105 H111D105-A109 WeakPolarHBondContact O-CB 3.45Å; D105-A109 PolarHBondContact O-N 2.99Å; A109-H111 PolarHBondContact O-N 2.91Å
110T45.7Very low78.9Confident108 Ų10851.9 Ų51.966%0.66329%0.285SS*.  trans-60.297.2157.737.80000102.6L108 T112L108-T110 PolarHBondContact O-N 2.89Å; T110-T112 PolarHBondContact O-N 3.41Å; T110-T112 PolarHBondContact O-OG1 2.97Å
111H48.5Very low78.6Confident112 Ų11256.9 Ų56.952%0.51931%0.312SS..  trans-48.2101158-71.2-57.1000103.4A109 T113 E160A109-H111 PolarHBondContact O-N 2.91Å; H111-T113 HydrophobicContact CB-CG2 4.26Å; H111-T113 PolarHBondContact O-N 2.88Å; H111-E160 IonicContact CE1-OE2 3.21Å; H111-E160 IonicContact CG-OE2 2.74Å; H111-E160 IonicContact ND1-OE1 3.05Å; H111-E160 IonicContact ND1-OE2 3.75Å; H111-E160 PolarHBondContact ND1-OE2 2.76Å
112T51.8Low78.4Confident86 Ų8656.1 Ų56.153%0.52831%0.312SS..  trans-79.678.2-175.5-50.30000101.5T110 M114 H155T110-T112 PolarHBondContact O-N 3.41Å; T110-T112 PolarHBondContact O-OG1 2.97Å; T112-M114 WeakPolarHBondContact O-CG 3.27Å; T112-M114 PolarHBondContact O-N 3.22Å; T112-H155 PolarHBondContact O-CE1 2.83Å; T112-H155 VanDerWaalsContact O-CE1 3.23Å; T112-H155 PolarHBondContact O-NE2 3.32Å
113T63.6Low78.6Confident80 Ų8052.4 Ų52.449%0.49130%0.3SS..  trans-59.6108.4-172.8480000105.9H111 F163H111-T113 HydrophobicContact CB-CG2 4.26Å; H111-T113 PolarHBondContact O-N 2.88Å; T113-F163 HydrophobicContact CG2-CD2 4.35Å; T113-F163 HydrophobicContact CG2-CE2 3.74Å
114M81Confident78.7Confident14 Ų1454.3 Ų54.37%0.06931%0.313CS..EExtended strand (participates in β ladder)trans-91.4117.4-178.3-76.7-127.2-90.900108.8T112 L119 L130 M134 I151 L152 H155 F163T112-M114 WeakPolarHBondContact O-CG 3.27Å; T112-M114 PolarHBondContact O-N 3.22Å; M114-L119 HydrophobicContact CB-CD1 4.38Å; M114-L119 HydrophobicContact SD-CD1 4.11Å; M114-L119 HydrophobicContact SD-CD2 4.2Å; M114-L130 HydrophobicContact SD-CD2 4.26Å; M114-M134 HydrophobicContact CE-CE 3.47Å; M114-M134 VanDerWaalsContact CE-CE 3.47Å; M114-M134 HydrophobicContact CE-SD 4.2Å; M114-M134 HydrophobicContact SD-CE 4.3Å; M114-I151 HydrophobicContact CE-CG2 3.53Å; M114-I151 HydrophobicContact SD-CG2 4.12Å; M114-L152 HydrophobicContact CB-CD2 4.05Å; M114-L152 HydrophobicContact CE-CD2 4.5Å; M114-H155 HydrophobicContact CE-CB 3.34Å; M114-F163 PolarHBondContact O-N 3.46Å
115N87.2Confident78.7Confident31 Ų3158 Ų5817%0.16634%0.339CS..EExtended strand (participates in β ladder)trans-98.2128.8173.9-175-51.5000110.1T117 E118 L119 F163N115-T117 VanDerWaalsContact C-N 3.31Å; N115-T117 PolarHBondContact O-N 3.05Å; N115-T117 WeakPolarHBondContact OD1-CA 2.84Å; N115-T117 VanDerWaalsContact OD1-CB 3.29Å; N115-T117 WeakPolarHBondContact OD1-CB 3.43Å; N115-T117 PolarHBondContact OD1-N 2.8Å; N115-T117 PolarHBondContact OD1-OG1 2.83Å; N115-E118 HydrophobicContact CB-CB 4.06Å; N115-E118 HydrophobicContact CB-CG 3.81Å; N115-E118 PolarHBondContact O-N 2.91Å; N115-E118 PolarHBondContact OD1-N 3.33Å; N115-L119 WeakPolarHBondContact O-CD1 3.39Å; N115-L119 PolarHBondContact O-N 2.66Å; N115-L119 VanDerWaalsContact O-N 3.1Å; N115-F163 WeakPolarHBondContact CA-O 3.49Å; N115-F163 HydrophobicContact CB-CB 4.49Å
116L89.1Confident79Confident2 Ų259.3 Ų59.31%0.0134%0.342CS..Hα-helixtrans-55.8-42.8178.3176.766.4000112.6L119 K120 I148 L152 F163 I192 I214 F224L116-L119 PolarHBondContact O-N 2.84Å; L116-K120 WeakPolarHBondContact O-CG 3.44Å; L116-K120 PolarHBondContact O-N 3.35Å; L116-I148 HydrophobicContact CD1-CG2 3.74Å; L116-L152 HydrophobicContact CB-CD1 4.31Å; L116-L152 HydrophobicContact CD1-CD1 3.43Å; L116-L152 VanDerWaalsContact CD1-CD1 3.43Å; L116-L152 HydrophobicContact CG-CD1 4.44Å; L116-F163 PolarHBondContact N-O 3.45Å; L116-I192 HydrophobicContact CD2-CD1 4.12Å; L116-I192 HydrophobicContact CD2-CG1 4.1Å; L116-I214 HydrophobicContact CB-CD1 4.01Å; L116-I214 HydrophobicContact CD2-CD1 4.1Å; L116-F224 HydrophobicContact CD1-CE2 4.38Å; L116-F224 HydrophobicContact CD1-CZ 4.43Å; L116-F224 HydrophobicContact CD2-CD2 4.48Å
117T85.7Confident79.7Confident22 Ų2256.3 Ų56.314%0.13532%0.318CS..Hα-helixtrans-69.1-39-179.2-49.40000111.4N115 K120 N121 D165N115-T117 VanDerWaalsContact C-N 3.31Å; N115-T117 PolarHBondContact O-N 3.05Å; N115-T117 WeakPolarHBondContact OD1-CA 2.84Å; N115-T117 VanDerWaalsContact OD1-CB 3.29Å; N115-T117 WeakPolarHBondContact OD1-CB 3.43Å; N115-T117 PolarHBondContact OD1-N 2.8Å; N115-T117 PolarHBondContact OD1-OG1 2.83Å; T117-K120 WeakPolarHBondContact O-CB 3.44Å; T117-K120 PolarHBondContact O-N 2.91Å; T117-N121 PolarHBondContact O-N 2.78Å; T117-N121 VanDerWaalsContact O-N 3.09Å; T117-N121 PolarHBondContact O-ND2 2.84Å; T117-D165 WeakPolarHBondContact CB-OD2 3.38Å; T117-D165 VanDerWaalsContact OG1-CG 3.25Å; T117-D165 PolarHBondContact OG1-OD1 2.88Å; T117-D165 PolarHBondContact OG1-OD2 2.91Å
118E87Confident80.1Confident120 Ų12055.5 Ų55.556%0.56131%0.313SS*.Hα-helixtrans-61.3-47.3174.3-69.4173.7-175.200111N115 K120 N121 T122N115-E118 HydrophobicContact CB-CB 4.06Å; N115-E118 HydrophobicContact CB-CG 3.81Å; N115-E118 PolarHBondContact O-N 2.91Å; N115-E118 PolarHBondContact OD1-N 3.33Å; E118-K120 VanDerWaalsContact C-N 3.25Å; E118-K120 PolarHBondContact O-N 2.79Å; E118-N121 PolarHBondContact O-N 2.92Å; E118-T122 PolarHBondContact O-N 2.79Å; E118-T122 PolarHBondContact O-OG1 2.6Å
119L90.7Very high80.6Confident9 Ų957.8 Ų57.85%0.04733%0.328CS..Hα-helixtrans-59.5-34.3174.9-74.3153.4000112.5M114 N115 L116 N121 T122 L127 L130 I148 I151 L152M114-L119 HydrophobicContact CB-CD1 4.38Å; M114-L119 HydrophobicContact SD-CD1 4.11Å; M114-L119 HydrophobicContact SD-CD2 4.2Å; N115-L119 WeakPolarHBondContact O-CD1 3.39Å; N115-L119 PolarHBondContact O-N 2.66Å; N115-L119 VanDerWaalsContact O-N 3.1Å; L116-L119 PolarHBondContact O-N 2.84Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-T122 PolarHBondContact O-N 2.85Å; L119-L127 HydrophobicContact CB-CD2 4.3Å; L119-L127 HydrophobicContact CD2-CD2 3.56Å; L119-L130 HydrophobicContact CD2-CD2 3.93Å; L119-I148 HydrophobicContact CB-CD1 4.42Å; L119-I148 HydrophobicContact CB-CG1 4.27Å; L119-I148 HydrophobicContact CB-CG2 4.07Å; L119-I148 HydrophobicContact CD1-CG2 4.45Å; L119-I151 HydrophobicContact CD2-CG2 4.11Å; L119-L152 HydrophobicContact CD1-CD1 4.23Å; L119-L152 HydrophobicContact CD1-CD2 3.38Å; L119-L152 HydrophobicContact CD1-CG 3.83Å
120K87.3Confident82.1Confident27 Ų2758.8 Ų58.812%0.11733%0.328CS..Hα-helixtrans-68.2-31.2174.3-73.4-177.7-163.5-169.80112.5L116 T117 E118 K144 I148 D190L116-K120 WeakPolarHBondContact O-CG 3.44Å; L116-K120 PolarHBondContact O-N 3.35Å; T117-K120 WeakPolarHBondContact O-CB 3.44Å; T117-K120 PolarHBondContact O-N 2.91Å; E118-K120 VanDerWaalsContact C-N 3.25Å; E118-K120 PolarHBondContact O-N 2.79Å; K120-K144 WeakPolarHBondContact O-CE 3.1Å; K120-K144 PolarHBondContact O-NZ 3.16Å; K120-I148 HydrophobicContact CB-CD1 4.49Å; K120-I148 HydrophobicContact CG-CD1 3.96Å; K120-D190 VanDerWaalsContact CE-CG 3.48Å; K120-D190 WeakPolarHBondContact CE-OD2 3.34Å; K120-D190 IonicContact NZ-OD1 2.83Å; K120-D190 PolarHBondContact NZ-OD1 3.12Å; K120-D190 IonicContact NZ-OD2 3.43Å; K120-D190 PolarHBondContact NZ-OD2 3.11Å
121N85.4Confident84.2Confident104 Ų10453.7 Ų53.756%0.55630%0.296SS*.Hα-helixtrans-83-22.6177.4-72.8-41.2000113T117 E118 L119T117-N121 PolarHBondContact O-N 2.78Å; T117-N121 VanDerWaalsContact O-N 3.09Å; T117-N121 PolarHBondContact O-ND2 2.84Å; E118-N121 PolarHBondContact O-N 2.92Å; L119-N121 VanDerWaalsContact C-N 3.32Å
122T88.7Confident86.2Confident37 Ų3753.7 Ų53.723%0.22730%0.297CS..SBendtrans-61.6135.4174-51.10000111.7E118 L119 E126 L127 K144E118-T122 PolarHBondContact O-N 2.79Å; E118-T122 PolarHBondContact O-OG1 2.6Å; L119-T122 PolarHBondContact O-N 2.85Å; T122-E126 HydrophobicContact CG2-CB 3.51Å; T122-E126 HydrophobicContact CG2-CG 4.48Å; T122-L127 HydrophobicContact CG2-CD2 4.03Å; T122-L127 HydrophobicContact CG2-CG 4.04Å; T122-K144 WeakPolarHBondContact O-CE 3.39Å; T122-K144 PolarHBondContact O-NZ 3.01Å
123P90.6Very high88Confident63 Ų6356 Ų5641%0.40931%0.306SS..  trans-57.2148.4172.4-25.635.3000112.8S125 E126 L127P123-S125 PolarHBondContact O-N 2.75Å; P123-E126 PolarHBondContact O-N 2.98Å; P123-E126 VanDerWaalsContact O-N 3.13Å; P123-L127 PolarHBondContact O-N 2.97Å
124V91.8Very high89.2Confident63 Ų6354.6 Ų54.638%0.38229%0.294SS..Hα-helixtrans-58.3-34.9-177.91790000112.1L127 I128 K144 I147V124-L127 PolarHBondContact O-N 2.99Å; V124-I128 HydrophobicContact CG1-CD1 3.92Å; V124-I128 HydrophobicContact CG1-CG1 4.36Å; V124-I128 VanDerWaalsContact O-CG1 3.3Å; V124-I128 WeakPolarHBondContact O-CG1 3.37Å; V124-I128 PolarHBondContact O-N 3.29Å; V124-K144 HydrophobicContact CG2-CB 4.09Å; V124-K144 HydrophobicContact CG2-CD 3.82Å; V124-K144 HydrophobicContact CG2-CG 3.95Å; V124-I147 HydrophobicContact CG1-CD1 4.23Å
125S92.2Very high89.6Confident78 Ų7856.9 Ų56.955%0.54532%0.322SS..Hα-helixtrans-59.5-45.8177.147.40000112.7P123 I128 T129P123-S125 PolarHBondContact O-N 2.75Å; S125-I128 PolarHBondContact O-N 2.89Å; S125-T129 PolarHBondContact O-N 3.19Å; S125-T129 VanDerWaalsContact O-N 3.13Å; S125-T129 PolarHBondContact O-OG1 3.23Å
126E91.8Very high89.7Confident113 Ų11357 Ų5753%0.52832%0.322SS..Hα-helixtrans-69.8-36.1179.2-74.6174.8-137.800111.7T122 P123 I128 T129 L130T122-E126 HydrophobicContact CG2-CB 3.51Å; T122-E126 HydrophobicContact CG2-CG 4.48Å; P123-E126 PolarHBondContact O-N 2.98Å; P123-E126 VanDerWaalsContact O-N 3.13Å; E126-I128 VanDerWaalsContact C-N 3.35Å; E126-T129 PolarHBondContact O-N 2.79Å; E126-L130 WeakPolarHBondContact O-CB 3.23Å; E126-L130 PolarHBondContact O-N 2.63Å
127L92.8Very high89.6Confident0 Ų064.5 Ų64.50%036%0.357CS..Hα-helixtrans-63-40.9173.7-67.2175000112.1L119 T122 P123 V124 L130 G131 K144 I147 I148 I151L119-L127 HydrophobicContact CB-CD2 4.3Å; L119-L127 HydrophobicContact CD2-CD2 3.56Å; T122-L127 HydrophobicContact CG2-CD2 4.03Å; T122-L127 HydrophobicContact CG2-CG 4.04Å; P123-L127 PolarHBondContact O-N 2.97Å; V124-L127 PolarHBondContact O-N 2.99Å; L127-L130 PolarHBondContact O-N 3.47Å; L127-G131 PolarHBondContact O-N 3.09Å; L127-K144 HydrophobicContact CD1-CD 4.32Å; L127-K144 HydrophobicContact CD1-CG 3.82Å; L127-I147 HydrophobicContact CB-CG2 3.95Å; L127-I148 HydrophobicContact CD1-CD1 4.06Å; L127-I148 HydrophobicContact CD1-CG1 3.75Å; L127-I148 HydrophobicContact CD2-CG1 4.32Å; L127-I151 HydrophobicContact CB-CD1 4.29Å; L127-I151 HydrophobicContact CD2-CD1 4.26Å; L127-I151 VanDerWaalsContact O-CD1 3.32Å; L127-I151 WeakPolarHBondContact O-CD1 3.12Å
128I92Very high89.6Confident31 Ų3169.5 Ų69.516%0.15938%0.383CS..Hα-helixtrans-61.3-49.7175.5-69.4165.3000109.7V124 S125 E126 L130 G131 E132 L139 A140 I147V124-I128 HydrophobicContact CG1-CD1 3.92Å; V124-I128 HydrophobicContact CG1-CG1 4.36Å; V124-I128 VanDerWaalsContact O-CG1 3.3Å; V124-I128 WeakPolarHBondContact O-CG1 3.37Å; V124-I128 PolarHBondContact O-N 3.29Å; S125-I128 PolarHBondContact O-N 2.89Å; E126-I128 VanDerWaalsContact C-N 3.35Å; I128-L130 VanDerWaalsContact C-N 3.33Å; I128-L130 PolarHBondContact O-N 2.85Å; I128-G131 PolarHBondContact O-N 2.74Å; I128-E132 HydrophobicContact CG2-CG 4.32Å; I128-E132 WeakPolarHBondContact CG2-OE1 3.48Å; I128-E132 WeakPolarHBondContact O-CB 3.2Å; I128-E132 WeakPolarHBondContact O-CG 2.88Å; I128-E132 PolarHBondContact O-N 2.55Å; I128-L139 HydrophobicContact CG1-CB 4.23Å; I128-L139 HydrophobicContact CG2-CB 4.36Å; I128-A140 HydrophobicContact CD1-CB 4.48Å; I128-I147 HydrophobicContact CG1-CD1 4.03Å
129T91.5Very high89.7Confident75 Ų7563.9 Ų63.946%0.4636%0.356SS..Hα-helixtrans-58.7-43.5177.4-570000112.1S125 E126 E132 N133S125-T129 PolarHBondContact O-N 3.19Å; S125-T129 VanDerWaalsContact O-N 3.13Å; S125-T129 PolarHBondContact O-OG1 3.23Å; E126-T129 PolarHBondContact O-N 2.79Å; T129-E132 PolarHBondContact O-N 3.1Å; T129-N133 WeakPolarHBondContact O-CB 3.36Å; T129-N133 VanDerWaalsContact O-CG 3.22Å; T129-N133 PolarHBondContact O-N 2.89Å; T129-N133 PolarHBondContact O-ND2 2.97Å
130L89.8Confident89.5Confident60 Ų6067.2 Ų67.231%0.31439%0.385SS..Hα-helixtrans-61.3-45.6177.1-177.864.4000111.5M114 L119 E126 L127 I128 N133 M134 I151M114-L130 HydrophobicContact SD-CD2 4.26Å; L119-L130 HydrophobicContact CD2-CD2 3.93Å; E126-L130 WeakPolarHBondContact O-CB 3.23Å; E126-L130 PolarHBondContact O-N 2.63Å; L127-L130 PolarHBondContact O-N 3.47Å; I128-L130 VanDerWaalsContact C-N 3.33Å; I128-L130 PolarHBondContact O-N 2.85Å; L130-N133 PolarHBondContact O-N 2.8Å; L130-M134 HydrophobicContact CD1-CE 3.66Å; L130-M134 HydrophobicContact CD2-CE 4.25Å; L130-M134 HydrophobicContact CG-CE 3.79Å; L130-M134 HydrophobicContact CG-SD 4.49Å; L130-M134 WeakPolarHBondContact O-CG 3.45Å; L130-M134 PolarHBondContact O-N 2.85Å; L130-M134 VanDerWaalsContact O-N 3.17Å; L130-I151 HydrophobicContact CD2-CD1 4.38Å; L130-I151 HydrophobicContact CD2-CG2 4.07Å
131G90.2Very high89.5Confident0 Ų077.2 Ų77.20%042%0.422CS..Hα-helixtrans-69.1-37.9179.900000113.3L127 I128 N133 M134 G135 L136 L139L127-G131 PolarHBondContact O-N 3.09Å; I128-G131 PolarHBondContact O-N 2.74Å; G131-N133 VanDerWaalsContact C-N 3.33Å; G131-N133 PolarHBondContact O-N 2.72Å; G131-M134 CarbonylContact O-C 3.54Å; G131-M134 WeakPolarHBondContact O-CA 3.43Å; G131-M134 WeakPolarHBondContact O-CB 3.39Å; G131-M134 PolarHBondContact O-N 3.18Å; G131-G135 PolarHBondContact O-N 3.06Å; G131-L136 VanDerWaalsContact O-CB 3.3Å; G131-L136 WeakPolarHBondContact O-CB 3.34Å; G131-L136 PolarHBondContact O-N 3.47Å; G131-L139 VanDerWaalsContact CA-CD1 3.47Å
132E90.6Very high89.7Confident112 Ų11275.7 Ų75.752%0.52341%0.413SS..Hα-helixtrans-60.3-43173.1-74.9174.4173.700111.1I128 T129 M134 G135 L139I128-E132 HydrophobicContact CG2-CG 4.32Å; I128-E132 WeakPolarHBondContact CG2-OE1 3.48Å; I128-E132 WeakPolarHBondContact O-CB 3.2Å; I128-E132 WeakPolarHBondContact O-CG 2.88Å; I128-E132 PolarHBondContact O-N 2.55Å; T129-E132 PolarHBondContact O-N 3.1Å; E132-M134 PolarHBondContact O-N 3.29Å; E132-G135 PolarHBondContact O-N 3.37Å; E132-L139 HydrophobicContact CG-CD1 4.43Å
133N89.2Confident89.8Confident134 Ų13482.9 Ų82.972%0.71744%0.436SS*.Hα-helixtrans-63.9-24.1174.4-70-24.4000113.2T129 L130 G131 G135T129-N133 WeakPolarHBondContact O-CB 3.36Å; T129-N133 VanDerWaalsContact O-CG 3.22Å; T129-N133 PolarHBondContact O-N 2.89Å; T129-N133 PolarHBondContact O-ND2 2.97Å; L130-N133 PolarHBondContact O-N 2.8Å; G131-N133 VanDerWaalsContact C-N 3.33Å; G131-N133 PolarHBondContact O-N 2.72Å; N133-G135 VanDerWaalsContact C-N 3.29Å
134M88.7Confident89.8Confident52 Ų5283.2 Ų83.226%0.25643%0.431SS..THydrogen-bonded Turntrans-86.53.7173.7-68178.6-177.500113.4M114 L130 G131 E132 I151 Q154M114-M134 HydrophobicContact CE-CE 3.47Å; M114-M134 VanDerWaalsContact CE-CE 3.47Å; M114-M134 HydrophobicContact CE-SD 4.2Å; M114-M134 HydrophobicContact SD-CE 4.3Å; L130-M134 HydrophobicContact CD1-CE 3.66Å; L130-M134 HydrophobicContact CD2-CE 4.25Å; L130-M134 HydrophobicContact CG-CE 3.79Å; L130-M134 HydrophobicContact CG-SD 4.49Å; L130-M134 WeakPolarHBondContact O-CG 3.45Å; L130-M134 PolarHBondContact O-N 2.85Å; L130-M134 VanDerWaalsContact O-N 3.17Å; G131-M134 CarbonylContact O-C 3.54Å; G131-M134 WeakPolarHBondContact O-CA 3.43Å; G131-M134 WeakPolarHBondContact O-CB 3.39Å; G131-M134 PolarHBondContact O-N 3.18Å; E132-M134 PolarHBondContact O-N 3.29Å; M134-I151 HydrophobicContact CE-CG2 4.28Å; M134-I151 HydrophobicContact SD-CG2 3.91Å; M134-Q154 HydrophobicContact CB-CG 4.24Å
135G88.8Confident89.6Confident62 Ų6284 Ų8464%0.63943%0.43SS*.THydrogen-bonded Turntrans77.820.9-17900000114.1G131 E132 N133G131-G135 PolarHBondContact O-N 3.06Å; E132-G135 PolarHBondContact O-N 3.37Å; N133-G135 VanDerWaalsContact C-N 3.29Å
136L89.9Confident89.4Confident32 Ų3283.9 Ų83.917%0.16842%0.424CS..  trans-85.7132.1172.7-59.8172.5000110G131 L139 A150 I151 Q154G131-L136 VanDerWaalsContact O-CB 3.3Å; G131-L136 WeakPolarHBondContact O-CB 3.34Å; G131-L136 PolarHBondContact O-N 3.47Å; L136-L139 HydrophobicContact CB-CD1 4.02Å; L136-L139 HydrophobicContact CB-CD2 3.97Å; L136-L139 HydrophobicContact CB-CG 4.16Å; L136-L139 HydrophobicContact CD1-CD2 4.34Å; L136-A150 HydrophobicContact CD1-CB 3.81Å; L136-A150 HydrophobicContact CD2-CB 4.43Å; L136-I151 HydrophobicContact CD1-CG1 3.94Å; L136-Q154 HydrophobicContact CD2-CB 4.27Å; L136-Q154 HydrophobicContact CD2-CG 4.43Å
137E87.4Confident89.5Confident160 Ų16078.6 Ų78.675%0.74840%0.399SS*.  trans-101.7156.9-179.2-63-177.2176.200112L139E137-L139 VanDerWaalsContact C-N 3.3Å; E137-L139 PolarHBondContact O-N 3.27Å
138N85.6Confident89.4Confident127 Ų12778.9 Ų78.968%0.67940%0.4SS*.  trans6224.3170.7-58.9-58.4000116.4A140 R141N138-A140 VanDerWaalsContact C-N 3.29Å; N138-A140 PolarHBondContact O-N 2.68Å; N138-R141 PolarHBondContact O-N 2.81Å
139L88.2Confident89.3Confident2 Ų280.7 Ų80.71%0.0141%0.407CS..G310 helixtrans-62.2-31.4-179-61.8173.7000113.8I128 G131 E132 L136 E137 R141 M142 I147I128-L139 HydrophobicContact CG1-CB 4.23Å; I128-L139 HydrophobicContact CG2-CB 4.36Å; G131-L139 VanDerWaalsContact CA-CD1 3.47Å; E132-L139 HydrophobicContact CG-CD1 4.43Å; L136-L139 HydrophobicContact CB-CD1 4.02Å; L136-L139 HydrophobicContact CB-CD2 3.97Å; L136-L139 HydrophobicContact CB-CG 4.16Å; L136-L139 HydrophobicContact CD1-CD2 4.34Å; E137-L139 VanDerWaalsContact C-N 3.3Å; E137-L139 PolarHBondContact O-N 3.27Å; L139-R141 PolarHBondContact O-N 3.29Å; L139-M142 HydrophobicContact CD2-SD 3.94Å; L139-M142 WeakPolarHBondContact O-CB 3.48Å; L139-M142 PolarHBondContact O-N 3.17Å; L139-I147 HydrophobicContact CB-CG1 4.34Å; L139-I147 HydrophobicContact CD2-CG1 4.37Å; L139-I147 HydrophobicContact CD2-CG2 4.27Å; L139-I147 WeakPolarHBondContact O-CD1 3.5Å
140A85.9Confident89.2Confident79 Ų7978 Ų7865%0.65339%0.393SS*.G310 helixtrans-60.2-19.2-176.200000114.7I128 N138I128-A140 HydrophobicContact CD1-CB 4.48Å; N138-A140 VanDerWaalsContact C-N 3.29Å; N138-A140 PolarHBondContact O-N 2.68Å
141R89Confident89.3Confident237 Ų23775.1 Ų75.189%0.89438%0.378SS*.G310 helixtrans-100.2-3.3177.6-64.7-176.4-179.5179.81.6113.6N138 L139N138-R141 PolarHBondContact O-N 2.81Å; L139-R141 PolarHBondContact O-N 3.29Å
142M89.3Confident89.4Confident72 Ų7275.1 Ų75.136%0.35538%0.378SS..SBendtrans-89154.8-177.6-66.6177.56700110.6L139 D146 I147L139-M142 HydrophobicContact CD2-SD 3.94Å; L139-M142 WeakPolarHBondContact O-CB 3.48Å; L139-M142 PolarHBondContact O-N 3.17Å; M142-D146 HydrophobicContact CB-CB 4.18Å; M142-D146 HydrophobicContact CE-CB 3.48Å; M142-D146 VanDerWaalsContact CE-CB 3.48Å; M142-I147 HydrophobicContact CB-CD1 4.37Å; M142-I147 HydrophobicContact CB-CG1 3.7Å
143R90.6Very high89.3Confident189 Ų18974.5 Ų74.571%0.71337%0.373SS*.  trans-70.4152.6170.7-60.5177.3176.5-178.1-0.7108.6Q145 D146 I147R143-Q145 PolarHBondContact O-N 2.89Å; R143-Q145 VanDerWaalsContact O-N 3.09Å; R143-D146 WeakPolarHBondContact CB-OD2 3.12Å; R143-D146 PolarHBondContact N-OD2 3.39Å; R143-D146 PolarHBondContact O-N 2.76Å; R143-I147 WeakPolarHBondContact O-CG1 3.45Å; R143-I147 PolarHBondContact O-N 3.16Å
144K90.1Very high89.3Confident70 Ų7070.8 Ų70.830%0.30435%0.352SS..Hα-helixtrans-47.8-43.6178-173.8178.5-169.6175.30112.5K120 T122 V124 L127 I147 I148K120-K144 WeakPolarHBondContact O-CE 3.1Å; K120-K144 PolarHBondContact O-NZ 3.16Å; T122-K144 WeakPolarHBondContact O-CE 3.39Å; T122-K144 PolarHBondContact O-NZ 3.01Å; V124-K144 HydrophobicContact CG2-CB 4.09Å; V124-K144 HydrophobicContact CG2-CD 3.82Å; V124-K144 HydrophobicContact CG2-CG 3.95Å; L127-K144 HydrophobicContact CD1-CD 4.32Å; L127-K144 HydrophobicContact CD1-CG 3.82Å; K144-I147 WeakPolarHBondContact O-CB 3.25Å; K144-I147 PolarHBondContact O-N 3.45Å; K144-I148 HydrophobicContact CG-CD1 4.03Å; K144-I148 WeakPolarHBondContact O-CG1 3.48Å; K144-I148 PolarHBondContact O-N 3.42Å
145Q87.5Confident89.3Confident80 Ų8069.1 Ų69.137%0.37434%0.343SS..Hα-helixtrans-61.3-43.8178.2-70.4174.1-20.500112.8R143 I147 I148 F149 P189R143-Q145 PolarHBondContact O-N 2.89Å; R143-Q145 VanDerWaalsContact O-N 3.09Å; Q145-I147 VanDerWaalsContact C-N 3.31Å; Q145-I147 PolarHBondContact O-N 2.95Å; Q145-I148 PolarHBondContact O-N 3.04Å; Q145-F149 VanDerWaalsContact O-CB 3.31Å; Q145-F149 WeakPolarHBondContact O-CB 3.12Å; Q145-F149 PolarHBondContact O-N 3.19Å; Q145-P189 VanDerWaalsContact OE1-CG 3.25Å
146D89.2Confident89.2Confident75 Ų7567.6 Ų67.640%0.40133%0.325SS..Hα-helixtrans-67.7-34.8179.3-54.8-42.3000111.2M142 R143 F149 A150M142-D146 HydrophobicContact CB-CB 4.18Å; M142-D146 HydrophobicContact CE-CB 3.48Å; M142-D146 VanDerWaalsContact CE-CB 3.48Å; R143-D146 WeakPolarHBondContact CB-OD2 3.12Å; R143-D146 PolarHBondContact N-OD2 3.39Å; R143-D146 PolarHBondContact O-N 2.76Å; D146-F149 PolarHBondContact O-N 3.04Å; D146-A150 WeakPolarHBondContact O-CB 3.37Å; D146-A150 PolarHBondContact O-N 2.99Å
147I92.3Very high89Confident1 Ų173 Ų731%0.00535%0.347CS..Hα-helixtrans-63.7-52.7174.5-61.7170.3000110.1V124 L127 I128 L139 M142 R143 K144 Q145 F149 A150 I151V124-I147 HydrophobicContact CG1-CD1 4.23Å; L127-I147 HydrophobicContact CB-CG2 3.95Å; I128-I147 HydrophobicContact CG1-CD1 4.03Å; L139-I147 HydrophobicContact CB-CG1 4.34Å; L139-I147 HydrophobicContact CD2-CG1 4.37Å; L139-I147 HydrophobicContact CD2-CG2 4.27Å; L139-I147 WeakPolarHBondContact O-CD1 3.5Å; M142-I147 HydrophobicContact CB-CD1 4.37Å; M142-I147 HydrophobicContact CB-CG1 3.7Å; R143-I147 WeakPolarHBondContact O-CG1 3.45Å; R143-I147 PolarHBondContact O-N 3.16Å; K144-I147 WeakPolarHBondContact O-CB 3.25Å; K144-I147 PolarHBondContact O-N 3.45Å; Q145-I147 VanDerWaalsContact C-N 3.31Å; Q145-I147 PolarHBondContact O-N 2.95Å; I147-F149 VanDerWaalsContact C-N 3.26Å; I147-F149 PolarHBondContact O-N 2.94Å; I147-A150 PolarHBondContact O-N 2.86Å; I147-A150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.73Å; I147-I151 HydrophobicContact CG2-CG1 4.43Å; I147-I151 VanDerWaalsContact O-CG1 3.31Å; I147-I151 WeakPolarHBondContact O-CG1 3.4Å; I147-I151 PolarHBondContact O-N 3.12Å
148I91.5Very high88.9Confident7 Ų769.6 Ų69.64%0.03634%0.34CS..Hα-helixtrans-57-43.9177.6-67.3170.8000110.2L116 L119 K120 L127 K144 Q145 A150 I151 L152L116-I148 HydrophobicContact CD1-CG2 3.74Å; L119-I148 HydrophobicContact CB-CD1 4.42Å; L119-I148 HydrophobicContact CB-CG1 4.27Å; L119-I148 HydrophobicContact CB-CG2 4.07Å; L119-I148 HydrophobicContact CD1-CG2 4.45Å; K120-I148 HydrophobicContact CB-CD1 4.49Å; K120-I148 HydrophobicContact CG-CD1 3.96Å; L127-I148 HydrophobicContact CD1-CD1 4.06Å; L127-I148 HydrophobicContact CD1-CG1 3.75Å; L127-I148 HydrophobicContact CD2-CG1 4.32Å; K144-I148 HydrophobicContact CG-CD1 4.03Å; K144-I148 WeakPolarHBondContact O-CG1 3.48Å; K144-I148 PolarHBondContact O-N 3.42Å; Q145-I148 PolarHBondContact O-N 3.04Å; I148-A150 PolarHBondContact O-N 3.24Å; I148-I151 PolarHBondContact O-N 2.73Å; I148-L152 HydrophobicContact CG2-CD1 3.91Å; I148-L152 HydrophobicContact CG2-CG 4.32Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 WeakPolarHBondContact O-CG 3.21Å; I148-L152 PolarHBondContact O-N 3.46Å
149F89.7Confident88.7Confident68 Ų6866.4 Ų66.430%0.29834%0.338SS..Hα-helixtrans-59.7-46177.6-176.7-92.6000112.4Q145 D146 I147 L152 K153 P217 F224Q145-F149 VanDerWaalsContact O-CB 3.31Å; Q145-F149 WeakPolarHBondContact O-CB 3.12Å; Q145-F149 PolarHBondContact O-N 3.19Å; D146-F149 PolarHBondContact O-N 3.04Å; I147-F149 VanDerWaalsContact C-N 3.26Å; I147-F149 PolarHBondContact O-N 2.94Å; F149-L152 PolarHBondContact O-N 2.69Å; F149-K153 HydrophobicContact CE1-CD 4.04Å; F149-K153 VanDerWaalsContact O-CB 3.24Å; F149-K153 WeakPolarHBondContact O-CB 3.1Å; F149-K153 PolarHBondContact O-N 3.39Å; F149-P217 HydrophobicContact CE2-CG 3.42Å; F149-P217 VanDerWaalsContact CE2-CG 3.42Å; F149-P217 HydrophobicContact CZ-CG 3.68Å; F149-F224 AromaticContact CD2-CE2 3.94Å; F149-F224 HydrophobicContact CD2-CE2 3.94Å; F149-F224 AromaticContact CD2-CZ 3.73Å; F149-F224 HydrophobicContact CD2-CZ 3.73Å; F149-F224 HydrophobicContact CE2-CE2 4.48Å; F149-F224 HydrophobicContact CE2-CZ 4.29Å
150A90.3Very high88.5Confident19 Ų1968.7 Ų68.716%0.15735%0.349CS..Hα-helixtrans-63.6-43.8178.200000111.9L136 D146 I147 I148 K153 Q154L136-A150 HydrophobicContact CD1-CB 3.81Å; L136-A150 HydrophobicContact CD2-CB 4.43Å; D146-A150 WeakPolarHBondContact O-CB 3.37Å; D146-A150 PolarHBondContact O-N 2.99Å; I147-A150 PolarHBondContact O-N 2.86Å; I147-A150 VanDerWaalsContact O-N 3.15Å; I148-A150 PolarHBondContact O-N 3.24Å; A150-K153 PolarHBondContact O-N 3.22Å; A150-Q154 WeakPolarHBondContact O-CB 3.29Å; A150-Q154 PolarHBondContact O-N 2.85Å
151I91.8Very high88.7Confident0 Ų067.9 Ų67.90%033%0.333CS..Hα-helixtrans-58.1-52.3176.2-72.5170.5000110.6M114 L119 L127 L130 M134 L136 I147 I148 K153 Q154 H155M114-I151 HydrophobicContact CE-CG2 3.53Å; M114-I151 HydrophobicContact SD-CG2 4.12Å; L119-I151 HydrophobicContact CD2-CG2 4.11Å; L127-I151 HydrophobicContact CB-CD1 4.29Å; L127-I151 HydrophobicContact CD2-CD1 4.26Å; L127-I151 VanDerWaalsContact O-CD1 3.32Å; L127-I151 WeakPolarHBondContact O-CD1 3.12Å; L130-I151 HydrophobicContact CD2-CD1 4.38Å; L130-I151 HydrophobicContact CD2-CG2 4.07Å; M134-I151 HydrophobicContact CE-CG2 4.28Å; M134-I151 HydrophobicContact SD-CG2 3.91Å; L136-I151 HydrophobicContact CD1-CG1 3.94Å; I147-I151 HydrophobicContact CG2-CD1 3.73Å; I147-I151 HydrophobicContact CG2-CG1 4.43Å; I147-I151 VanDerWaalsContact O-CG1 3.31Å; I147-I151 WeakPolarHBondContact O-CG1 3.4Å; I147-I151 PolarHBondContact O-N 3.12Å; I148-I151 PolarHBondContact O-N 2.73Å; I151-K153 PolarHBondContact O-N 3.29Å; I151-Q154 PolarHBondContact O-N 3.24Å; I151-H155 WeakPolarHBondContact O-CB 3.45Å; I151-H155 PolarHBondContact O-N 3.43Å
152L91.2Very high88.8Confident0 Ų056.8 Ų56.80%029%0.291CS..Hα-helixtrans-64.6-40.8179.5-72-178.7000112.1M114 L116 L119 I148 F149 Q154 H155 A156 I162 F224M114-L152 HydrophobicContact CB-CD2 4.05Å; M114-L152 HydrophobicContact CE-CD2 4.5Å; L116-L152 HydrophobicContact CB-CD1 4.31Å; L116-L152 HydrophobicContact CD1-CD1 3.43Å; L116-L152 VanDerWaalsContact CD1-CD1 3.43Å; L116-L152 HydrophobicContact CG-CD1 4.44Å; L119-L152 HydrophobicContact CD1-CD1 4.23Å; L119-L152 HydrophobicContact CD1-CD2 3.38Å; L119-L152 HydrophobicContact CD1-CG 3.83Å; I148-L152 HydrophobicContact CG2-CD1 3.91Å; I148-L152 HydrophobicContact CG2-CG 4.32Å; I148-L152 WeakPolarHBondContact O-CB 3.49Å; I148-L152 WeakPolarHBondContact O-CG 3.21Å; I148-L152 PolarHBondContact O-N 3.46Å; F149-L152 PolarHBondContact O-N 2.69Å; L152-Q154 VanDerWaalsContact C-N 3.3Å; L152-Q154 PolarHBondContact O-N 2.77Å; L152-H155 PolarHBondContact O-N 2.86Å; L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 2.78Å; L152-I162 HydrophobicContact CB-CD1 4.14Å; L152-I162 HydrophobicContact CD1-CG2 4.32Å; L152-I162 HydrophobicContact CD2-CD1 4.25Å; L152-I162 HydrophobicContact CD2-CG1 4.22Å; L152-I162 HydrophobicContact CD2-CG2 3.62Å; L152-I162 HydrophobicContact CG-CG2 4.47Å; L152-I162 VanDerWaalsContact O-CD1 3.23Å; L152-I162 WeakPolarHBondContact O-CD1 3.29Å; L152-F224 HydrophobicContact CB-CE1 4.24Å; L152-F224 HydrophobicContact CB-CZ 4.44Å; L152-F224 HydrophobicContact CD1-CE1 3.77Å; L152-F224 HydrophobicContact CD1-CZ 3.76Å
153K89.1Confident89Confident98 Ų9855.6 Ų55.643%0.42629%0.285SS..Hα-helixtrans-63.3-38.7176.3-173.5174.2-177.41760111.6F149 A150 I151 K157F149-K153 HydrophobicContact CE1-CD 4.04Å; F149-K153 VanDerWaalsContact O-CB 3.24Å; F149-K153 WeakPolarHBondContact O-CB 3.1Å; F149-K153 PolarHBondContact O-N 3.39Å; A150-K153 PolarHBondContact O-N 3.22Å; I151-K153 PolarHBondContact O-N 3.29Å; K153-K157 WeakPolarHBondContact O-CG 3.44Å; K153-K157 PolarHBondContact O-N 3.47Å
154Q89.5Confident89.1Confident57 Ų5746.7 Ų46.727%0.26625%0.251SS..Hα-helixtrans-69.6-42.8177.3-172.861.88.900111.3M134 L136 A150 I151 L152 A156 K157M134-Q154 HydrophobicContact CB-CG 4.24Å; L136-Q154 HydrophobicContact CD2-CB 4.27Å; L136-Q154 HydrophobicContact CD2-CG 4.43Å; A150-Q154 WeakPolarHBondContact O-CB 3.29Å; A150-Q154 PolarHBondContact O-N 2.85Å; I151-Q154 PolarHBondContact O-N 3.24Å; L152-Q154 VanDerWaalsContact C-N 3.3Å; L152-Q154 PolarHBondContact O-N 2.77Å; Q154-A156 PolarHBondContact O-N 2.95Å; Q154-K157 WeakPolarHBondContact O-CB 3.32Å; Q154-K157 PolarHBondContact O-N 3.39Å; Q154-K157 VanDerWaalsContact OE1-NZ 3.14Å
155H88.1Confident89.3Confident16 Ų1645.8 Ų45.87%0.07425%0.25CC..Hα-helixtrans-62-41.7175.7-169.674.7000112.7T112 M114 I151 L152 K157 S158 E160T112-H155 PolarHBondContact O-CE1 2.83Å; T112-H155 VanDerWaalsContact O-CE1 3.23Å; T112-H155 PolarHBondContact O-NE2 3.32Å; M114-H155 HydrophobicContact CE-CB 3.34Å; I151-H155 WeakPolarHBondContact O-CB 3.45Å; I151-H155 PolarHBondContact O-N 3.43Å; L152-H155 PolarHBondContact O-N 2.86Å; H155-K157 VanDerWaalsContact C-N 3.26Å; H155-K157 PolarHBondContact O-N 3.17Å; H155-S158 WeakPolarHBondContact O-CB 3.33Å; H155-S158 PolarHBondContact O-N 3.18Å; H155-S158 VanDerWaalsContact O-N 3.08Å; H155-E160 WeakPolarHBondContact NE2-CB 3.43Å
156A87Confident89.6Confident31 Ų3142.2 Ų42.226%0.25624%0.235SC..Hα-helixtrans-59.7-33.2174.800000113.3L152 Q154 S158 G159 I162 P216L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 2.78Å; Q154-A156 PolarHBondContact O-N 2.95Å; A156-S158 PolarHBondContact O-N 3.3Å; A156-G159 PolarHBondContact O-N 2.97Å; A156-G159 VanDerWaalsContact O-N 3.1Å; A156-I162 HydrophobicContact CB-CD1 3.7Å; A156-P216 HydrophobicContact CB-CG 3.76Å
157K86.8Confident90Very high145 Ų14538.8 Ų38.863%0.6322%0.216SC*.Hα-helixtrans-67-26.4178.1-71.5173.8-170.5168.20112.4K153 Q154 H155 G159K153-K157 WeakPolarHBondContact O-CG 3.44Å; K153-K157 PolarHBondContact O-N 3.47Å; Q154-K157 WeakPolarHBondContact O-CB 3.32Å; Q154-K157 PolarHBondContact O-N 3.39Å; Q154-K157 VanDerWaalsContact OE1-NZ 3.14Å; H155-K157 VanDerWaalsContact C-N 3.26Å; H155-K157 PolarHBondContact O-N 3.17Å; K157-G159 PolarHBondContact O-N 3.42Å
158S83.6Confident90.3Very high88 Ų8838.8 Ų38.862%0.61522%0.216SC*.THydrogen-bonded Turntrans-72.6-7.2174.3-52.90000112.8H155 A156 E160H155-S158 WeakPolarHBondContact O-CB 3.33Å; H155-S158 PolarHBondContact O-N 3.18Å; H155-S158 VanDerWaalsContact O-N 3.08Å; A156-S158 PolarHBondContact O-N 3.3Å; S158-E160 VanDerWaalsContact C-N 3.29Å
159G81.8Confident90.6Very high61 Ų6139.7 Ų39.763%0.62922%0.22SC*.THydrogen-bonded Turntrans83.24-176.700000114.1A156 K157A156-G159 PolarHBondContact O-N 2.97Å; A156-G159 VanDerWaalsContact O-N 3.1Å; K157-G159 PolarHBondContact O-N 3.42Å
160E85.1Confident90.9Very high50 Ų5038.7 Ų38.723%0.23422%0.217CC..  trans-76.4153.1178.4-68.1-70.5160.100112.2H111 H155 S158H111-E160 IonicContact CE1-OE2 3.21Å; H111-E160 IonicContact CG-OE2 2.74Å; H111-E160 IonicContact ND1-OE1 3.05Å; H111-E160 IonicContact ND1-OE2 3.75Å; H111-E160 PolarHBondContact ND1-OE2 2.76Å; H155-E160 WeakPolarHBondContact NE2-CB 3.43Å; S158-E160 VanDerWaalsContact C-N 3.29Å
161D88.4Confident91.2Very high61 Ų6140.4 Ų40.433%0.32622%0.224SC..  trans-82.5132.2-175.8-75.57.8000111.5F163 K213D161-F163 HydrophobicContact CB-CE2 3.68Å; D161-F163 HydrophobicContact CB-CZ 3.96Å; D161-K213 HydrophobicContact CB-CD 4.41Å; D161-K213 WeakPolarHBondContact OD1-CE 3.48Å; D161-K213 IonicContact OD1-NZ 3.91Å; D161-K213 PolarHBondContact OD1-NZ 3.05Å; D161-K213 WeakPolarHBondContact OD2-CD 3.36Å; D161-K213 VanDerWaalsContact OD2-CE 3.23Å; D161-K213 WeakPolarHBondContact OD2-CE 3.31Å; D161-K213 IonicContact OD2-NZ 2.57Å; D161-K213 PolarHBondContact OD2-NZ 3.46Å
162I91.8Very high91.3Very high4 Ų450 Ų502%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-105.7137.3173.3-58164.9000108.5L152 A156 K213 I214L152-I162 HydrophobicContact CB-CD1 4.14Å; L152-I162 HydrophobicContact CD1-CG2 4.32Å; L152-I162 HydrophobicContact CD2-CD1 4.25Å; L152-I162 HydrophobicContact CD2-CG1 4.22Å; L152-I162 HydrophobicContact CD2-CG2 3.62Å; L152-I162 HydrophobicContact CG-CG2 4.47Å; L152-I162 VanDerWaalsContact O-CD1 3.23Å; L152-I162 WeakPolarHBondContact O-CD1 3.29Å; A156-I162 HydrophobicContact CB-CD1 3.7Å; I162-K213 CarbonylContact O-C 3.59Å; I162-K213 WeakPolarHBondContact O-CA 3.43Å; I162-I214 HydrophobicContact CB-CG1 4.05Å; I162-I214 HydrophobicContact CG2-CD1 3.78Å; I162-I214 HydrophobicContact CG2-CG1 3.52Å; I162-I214 PolarHBondContact O-N 3.17Å
163F93.1Very high91.4Very high48 Ų4856.3 Ų56.321%0.21130%0.303CS..EExtended strand (participates in β ladder)trans-114.4157.2177.5-62-92.2000110.7T113 M114 N115 L116 D161 G212 K213 N230T113-F163 HydrophobicContact CG2-CD2 4.35Å; T113-F163 HydrophobicContact CG2-CE2 3.74Å; M114-F163 PolarHBondContact O-N 3.46Å; N115-F163 WeakPolarHBondContact CA-O 3.49Å; N115-F163 HydrophobicContact CB-CB 4.49Å; L116-F163 PolarHBondContact N-O 3.45Å; D161-F163 HydrophobicContact CB-CE2 3.68Å; D161-F163 HydrophobicContact CB-CZ 3.96Å; F163-G212 WeakPolarHBondContact CA-O 3.43Å; F163-K213 HydrophobicContact CE1-CB 4.37Å; F163-N230 WeakPolarHBondContact CE1-ND2 3.41Å
164G92.9Very high91.7Very high1 Ų153 Ų531%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-162.3162.3171.800000110.7G212G164-G212 PolarHBondContact N-O 3.48Å; G164-G212 PolarHBondContact O-N 3.25Å
165D94Very high92.1Very high52 Ų5252.6 Ų52.628%0.27829%0.293SS..EExtended strand (participates in β ladder)trans-141.4165.8-178.663.291000111.3T117 I210 S211T117-D165 WeakPolarHBondContact CB-OD2 3.38Å; T117-D165 VanDerWaalsContact OG1-CG 3.25Å; T117-D165 PolarHBondContact OG1-OD1 2.88Å; T117-D165 PolarHBondContact OG1-OD2 2.91Å; D165-I210 CarbonylContact C-O 3.59Å; D165-I210 WeakPolarHBondContact CA-O 3.04Å; D165-S211 WeakPolarHBondContact CB-OG 3.32Å
166G95.2Very high92.5Very high5 Ų551.8 Ų51.85%0.05229%0.29CS..EExtended strand (participates in β ladder)trans165.5176.8172.900000112.1T209 I210G166-T209 WeakPolarHBondContact O-CA 3.43Å; G166-I210 PolarHBondContact N-O 3.4Å; G166-I210 VanDerWaalsContact N-O 3.1Å; G166-I210 PolarHBondContact O-N 3.14Å
167V97.2Very high93Very high3 Ų351.2 Ų51.22%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-94.9124.9-178.7179.70000109.7E169 R179 Y185 M358 K362V167-E169 PolarHBondContact O-N 2.98Å; V167-R179 PolarHBondContact N-O 3.47Å; V167-R179 PolarHBondContact O-N 2.8Å; V167-Y185 HydrophobicContact CB-CD1 4.01Å; V167-Y185 HydrophobicContact CB-CE1 3.57Å; V167-Y185 HydrophobicContact CG1-CE1 4.38Å; V167-Y185 HydrophobicContact CG2-CD1 4.31Å; V167-Y185 HydrophobicContact CG2-CE1 3.37Å; V167-M358 HydrophobicContact CB-CE 4.38Å; V167-M358 HydrophobicContact CG1-CE 3.79Å; V167-K362 HydrophobicContact CG1-CB 4.3Å; V167-K362 HydrophobicContact CG1-CG 4.45Å; V167-K362 HydrophobicContact CG2-CD 3.89Å; V167-K362 HydrophobicContact CG2-CG 4.33Å
168L97.9Very high93.5Very high0 Ų044.5 Ų44.50%025%0.252CS..EExtended strand (participates in β ladder)trans-68.1128-176.8-179.363.7000111.9I170 L178 V194 I199 L204 T206 G207 D208 I210L168-I170 HydrophobicContact CD1-CG1 4.34Å; L168-I170 HydrophobicContact CD2-CD1 4Å; L168-I170 HydrophobicContact CD2-CG1 3.8Å; L168-I170 HydrophobicContact CG-CG1 3.86Å; L168-L178 HydrophobicContact CB-CD2 3.89Å; L168-L178 HydrophobicContact CD1-CD2 3.96Å; L168-V194 HydrophobicContact CD1-CB 4.02Å; L168-V194 HydrophobicContact CD1-CG1 4.37Å; L168-V194 HydrophobicContact CD1-CG2 3.9Å; L168-I199 HydrophobicContact CD2-CG1 4.39Å; L168-L204 HydrophobicContact CD2-CB 3.55Å; L168-L204 HydrophobicContact CD2-CD1 4.09Å; L168-L204 HydrophobicContact CD2-CG 4.45Å; L168-T206 CarbonylContact O-C 3.49Å; L168-T206 VanDerWaalsContact O-CA 3.27Å; L168-T206 WeakPolarHBondContact O-CA 3.17Å; L168-G207 PolarHBondContact O-N 2.71Å; L168-D208 WeakPolarHBondContact CB-O 3.47Å; L168-D208 PolarHBondContact N-O 3.42Å; L168-I210 HydrophobicContact CB-CG1 4.35Å
169E97.8Very high94.1Very high26 Ų2640.7 Ų40.712%0.12123%0.225CC..EExtended strand (participates in β ladder)trans-113.1111.6163.6-172.4-179.6141.500108.8V167 L171 G176 F177 R179 M358V167-E169 PolarHBondContact O-N 2.98Å; E169-L171 HydrophobicContact CG-CD2 4.33Å; E169-G176 CarbonylContact O-C 3.4Å; E169-G176 WeakPolarHBondContact O-CA 3.29Å; E169-F177 PolarHBondContact N-O 3.44Å; E169-F177 PolarHBondContact O-N 2.82Å; E169-R179 HydrophobicContact CB-CG 4.1Å; E169-R179 IonicContact OE1-CZ 3.55Å; E169-R179 IonicContact OE1-NH1 3.37Å; E169-R179 IonicContact OE1-NH2 2.55Å; E169-R179 PolarHBondContact OE1-NH2 3.21Å; E169-R179 VanDerWaalsContact OE1-NH2 3.11Å; E169-R179 IonicContact OE2-CZ 3.63Å; E169-R179 IonicContact OE2-NE 3.17Å; E169-R179 IonicContact OE2-NH1 2.72Å; E169-R179 PolarHBondContact OE2-NH1 2.93Å; E169-R179 IonicContact OE2-NH2 2.74Å; E169-R179 PolarHBondContact OE2-NH2 3.33Å; E169-M358 HydrophobicContact CB-CE 3.85Å; E169-M358 HydrophobicContact CB-SD 3.84Å; E169-M358 HydrophobicContact CG-CE 4.47Å; E169-M358 HydrophobicContact CG-SD 3.8Å
170I97.4Very high94.4Very high47 Ų4738.2 Ų38.224%0.24120%0.198CC..EExtended strand (participates in β ladder)trans-86.2125.3175.3-55.7178.6000108.9L168 I199 L204 T206L168-I170 HydrophobicContact CD1-CG1 4.34Å; L168-I170 HydrophobicContact CD2-CD1 4Å; L168-I170 HydrophobicContact CD2-CG1 3.8Å; L168-I170 HydrophobicContact CG-CG1 3.86Å; I170-I199 HydrophobicContact CD1-CD1 4.29Å; I170-I199 HydrophobicContact CD1-CG2 3.78Å; I170-I199 HydrophobicContact CG1-CD1 4.1Å; I170-I199 HydrophobicContact CG2-CD1 4.37Å; I170-L204 WeakPolarHBondContact CD1-O 3.38Å; I170-T206 PolarHBondContact N-OG1 2.93Å; I170-T206 VanDerWaalsContact N-OG1 3.08Å
171L95.9Very high94.4Very high56 Ų5637.7 Ų37.729%0.29320%0.201SC..  trans-89.2169.4178-60.2-175.4000111.6E169 D173 G174 F175 F177E169-L171 HydrophobicContact CG-CD2 4.33Å; L171-D173 PolarHBondContact O-N 3.08Å; L171-G174 PolarHBondContact O-N 3.2Å; L171-F175 HydrophobicContact CD1-CD2 4.49Å; L171-F175 HydrophobicContact CD1-CE2 3.69Å; L171-F175 HydrophobicContact CD1-CZ 3.96Å; L171-F175 PolarHBondContact N-O 3.28Å; L171-F177 HydrophobicContact CD1-CD2 4.07Å; L171-F177 HydrophobicContact CD1-CE2 4.1Å
172Q93.5Very high94.2Very high201 Ų20139 Ų3994%0.93921%0.209SC*.THydrogen-bonded Turntrans-58.8-32.8-174.8-64.2-178.20.800113.3G174Q172-G174 PolarHBondContact O-N 3.2Å
173D94.4Very high93.8Very high133 Ų13340.9 Ų40.971%0.71122%0.222SC*.THydrogen-bonded Turntrans-75-3.4178-60.7-36.2000113.5L171 F175L171-D173 PolarHBondContact O-N 3.08Å; D173-F175 HydrophobicContact CB-CD1 3.68Å; D173-F175 HydrophobicContact CB-CE1 3.49Å; D173-F175 VanDerWaalsContact CB-CE1 3.49Å
174G95Very high93.7Very high28 Ų2839.4 Ų39.429%0.28922%0.218SC..SBendtrans87.6-2.3173.600000115.9L171 Q172 I199L171-G174 PolarHBondContact O-N 3.2Å; Q172-G174 PolarHBondContact O-N 3.2Å; G174-I199 WeakPolarHBondContact O-CD1 3.15Å
175F96.6Very high93.7Very high48 Ų4839.4 Ų39.421%0.21122%0.217CC..  trans-88.2168.5163.268.1-92.2000110.2L171 D173 F177 Y193 P196L171-F175 HydrophobicContact CD1-CD2 4.49Å; L171-F175 HydrophobicContact CD1-CE2 3.69Å; L171-F175 HydrophobicContact CD1-CZ 3.96Å; L171-F175 PolarHBondContact N-O 3.28Å; D173-F175 HydrophobicContact CB-CD1 3.68Å; D173-F175 HydrophobicContact CB-CE1 3.49Å; D173-F175 VanDerWaalsContact CB-CE1 3.49Å; F175-F177 HydrophobicContact CD2-CE2 4.21Å; F175-F177 HydrophobicContact CE2-CD2 4.29Å; F175-F177 AromaticContact CE2-CE2 3.6Å; F175-F177 HydrophobicContact CE2-CE2 3.6Å; F175-F177 HydrophobicContact CE2-CZ 4.13Å; F175-Y193 HydrophobicContact CB-CE2 3.78Å; F175-Y193 HydrophobicContact CD2-CD2 4.15Å; F175-Y193 AromaticContact CD2-CE2 3.7Å; F175-Y193 HydrophobicContact CD2-CE2 3.7Å; F175-Y193 AromaticContact CG-CE2 3.89Å; F175-Y193 HydrophobicContact CG-CE2 3.89Å; F175-P196 HydrophobicContact CB-CG 3.99Å
176G97.3Very high93.4Very high0 Ų040.3 Ų40.30%022%0.222CC..EExtended strand (participates in β ladder)trans-142.2172.8179.100000114.2E169 V194E169-G176 CarbonylContact O-C 3.4Å; E169-G176 WeakPolarHBondContact O-CA 3.29Å; G176-V194 PolarHBondContact N-O 3.22Å; G176-V194 PolarHBondContact O-N 3.26Å
177F97.5Very high93.2Very high19 Ų1943 Ų438%0.08324%0.243CC..EExtended strand (participates in β ladder)trans-128.5139.5175-74.3-72.1000110.3E169 L171 F175 D191 I192 Y193 Y223E169-F177 PolarHBondContact N-O 3.44Å; E169-F177 PolarHBondContact O-N 2.82Å; L171-F177 HydrophobicContact CD1-CD2 4.07Å; L171-F177 HydrophobicContact CD1-CE2 4.1Å; F175-F177 HydrophobicContact CD2-CE2 4.21Å; F175-F177 HydrophobicContact CE2-CD2 4.29Å; F175-F177 AromaticContact CE2-CE2 3.6Å; F175-F177 HydrophobicContact CE2-CE2 3.6Å; F175-F177 HydrophobicContact CE2-CZ 4.13Å; F177-D191 HydrophobicContact CB-CB 4.15Å; F177-D191 HydrophobicContact CD1-CB 3.83Å; F177-D191 HydrophobicContact CG-CB 4.25Å; F177-I192 CarbonylContact C-O 3.58Å; F177-I192 WeakPolarHBondContact CA-O 3.09Å; F177-Y193 HydrophobicContact CE1-CD2 4.15Å; F177-Y193 HydrophobicContact CZ-CD2 4.35Å; F177-Y223 AromaticContact CE1-CD1 3.99Å; F177-Y223 HydrophobicContact CE1-CD1 3.99Å; F177-Y223 AromaticContact CE1-CD2 3.68Å; F177-Y223 HydrophobicContact CE1-CD2 3.68Å; F177-Y223 HydrophobicContact CE1-CE1 4.34Å; F177-Y223 HydrophobicContact CE1-CE2 4.05Å; F177-Y223 AromaticContact CE1-CG 3.65Å; F177-Y223 HydrophobicContact CE1-CG 3.65Å; F177-Y223 AromaticContact CZ-CD2 3.8Å; F177-Y223 HydrophobicContact CZ-CD2 3.8Å; F177-Y223 AromaticContact CZ-CE2 3.76Å; F177-Y223 HydrophobicContact CZ-CE2 3.76Å; F177-Y223 HydrophobicContact CZ-CG 4.22Å
178L97.2Very high92.7Very high3 Ų343.2 Ų43.22%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-82.6113.8167.5-52.1-175.9000108.4L168 I192 V194 I210L168-L178 HydrophobicContact CB-CD2 3.89Å; L168-L178 HydrophobicContact CD1-CD2 3.96Å; L178-I192 HydrophobicContact CB-CB 4.02Å; L178-I192 HydrophobicContact CB-CD1 4.39Å; L178-I192 HydrophobicContact CD1-CB 4.05Å; L178-I192 HydrophobicContact CD1-CD1 4.03Å; L178-I192 HydrophobicContact CD1-CG2 4.17Å; L178-I192 HydrophobicContact CG-CB 4.1Å; L178-I192 HydrophobicContact CG-CG2 4.5Å; L178-I192 PolarHBondContact N-O 2.56Å; L178-I192 PolarHBondContact O-N 3.02Å; L178-V194 HydrophobicContact CD1-CG2 4.39Å; L178-V194 HydrophobicContact CD2-CG2 3.7Å; L178-V194 HydrophobicContact CG-CG2 3.72Å; L178-I210 HydrophobicContact CD1-CB 3.89Å; L178-I210 HydrophobicContact CD1-CG2 4.08Å; L178-I210 HydrophobicContact CD2-CB 3.71Å; L178-I210 HydrophobicContact CD2-CG1 3.79Å; L178-I210 HydrophobicContact CD2-CG2 4.45Å; L178-I210 HydrophobicContact CG-CB 4.48Å
179R95.4Very high92.1Very high9 Ų947 Ų473%0.03427%0.271CS..EExtended strand (participates in β ladder)trans-91.2138.1-179.9-58.8-57.9-177.468.313110.3V167 E169 Y185 D191 M358V167-R179 PolarHBondContact N-O 3.47Å; V167-R179 PolarHBondContact O-N 2.8Å; E169-R179 HydrophobicContact CB-CG 4.1Å; E169-R179 IonicContact OE1-CZ 3.55Å; E169-R179 IonicContact OE1-NH1 3.37Å; E169-R179 IonicContact OE1-NH2 2.55Å; E169-R179 PolarHBondContact OE1-NH2 3.21Å; E169-R179 VanDerWaalsContact OE1-NH2 3.11Å; E169-R179 IonicContact OE2-CZ 3.63Å; E169-R179 IonicContact OE2-NE 3.17Å; E169-R179 IonicContact OE2-NH1 2.72Å; E169-R179 PolarHBondContact OE2-NH1 2.93Å; E169-R179 IonicContact OE2-NH2 2.74Å; E169-R179 PolarHBondContact OE2-NH2 3.33Å; R179-Y185 HydrophobicContact CB-CD1 3.91Å; R179-Y185 PolarHBondContact NH1-O 3.21Å; R179-D191 WeakPolarHBondContact CD-OD2 3.39Å; R179-D191 IonicContact CZ-OD2 2.88Å; R179-D191 IonicContact NE-OD2 3.99Å; R179-D191 PolarHBondContact NE-OD2 2.95Å; R179-M358 HydrophobicContact CG-CE 4.42Å
180S89.8Confident91.6Very high9 Ų946.6 Ų46.66%0.06327%0.27CS..  trans-78.8142.8177.9-177.70000112.1D182 Y185S180-D182 VanDerWaalsContact C-N 3.34Å; S180-D182 PolarHBondContact OG-N 3.04Å; S180-D182 PolarHBondContact OG-OD2 3.33Å; S180-Y185 WeakPolarHBondContact O-CA 3.38Å; S180-Y185 PolarHBondContact O-N 3.37Å
181A85.2Confident91.4Very high38 Ų3844.6 Ų44.631%0.31426%0.26SS..THydrogen-bonded Turntrans-65.8-35.5170.200000112S183 S184 Y185A181-S183 PolarHBondContact O-N 3.14Å; A181-S184 WeakPolarHBondContact O-CA 3.22Å; A181-S184 PolarHBondContact O-N 3.27Å; A181-Y185 HydrophobicContact CB-CE1 4.33Å
182D82.7Confident91.4Very high89 Ų8942 Ų4248%0.47625%0.246SC..THydrogen-bonded Turntrans-60.8-33.1-179.3-53.8-35.4000112.3S180 S184S180-D182 VanDerWaalsContact C-N 3.34Å; S180-D182 PolarHBondContact OG-N 3.04Å; S180-D182 PolarHBondContact OG-OD2 3.33Å; D182-S184 VanDerWaalsContact C-N 3.26Å; D182-S184 PolarHBondContact O-N 3.36Å
183S84.6Confident91.6Very high44 Ų4436.4 Ų36.431%0.30822%0.217SC..THydrogen-bonded Turntrans-89.814176.7-55.60000112.3A181 Y185 L186 R351A181-S183 PolarHBondContact O-N 3.14Å; S183-Y185 PolarHBondContact O-N 3.07Å; S183-L186 WeakPolarHBondContact O-CB 3.43Å; S183-L186 PolarHBondContact O-N 3.24Å; S183-R351 PolarHBondContact O-NH2 3.38Å
184S90.7Very high91.7Very high16 Ų1630 Ų3011%0.11218%0.183CC..THydrogen-bonded Turntrans48.343.9-173.2-65.20000112.5A181 D182 L186 A342 R351A181-S184 WeakPolarHBondContact O-CA 3.22Å; A181-S184 PolarHBondContact O-N 3.27Å; D182-S184 VanDerWaalsContact C-N 3.26Å; D182-S184 PolarHBondContact O-N 3.36Å; S184-L186 PolarHBondContact O-N 3.1Å; S184-A342 VanDerWaalsContact CB-O 3.24Å; S184-A342 WeakPolarHBondContact CB-O 3.32Å; S184-A342 PolarHBondContact OG-N 3.41Å; S184-A342 VanDerWaalsContact OG-N 3.16Å; S184-A342 PolarHBondContact OG-O 3.36Å; S184-R351 PolarHBondContact O-NH2 3.09Å
185Y91.7Very high91.8Very high1 Ų129.7 Ų29.70%0.00418%0.176CC..THydrogen-bonded Turntrans59.525.5-177.1-51.6-64.1000115.3V167 R179 S180 A181 S183 E339 V341 R351 M358 V359 K362V167-Y185 HydrophobicContact CB-CD1 4.01Å; V167-Y185 HydrophobicContact CB-CE1 3.57Å; V167-Y185 HydrophobicContact CG1-CE1 4.38Å; V167-Y185 HydrophobicContact CG2-CD1 4.31Å; V167-Y185 HydrophobicContact CG2-CE1 3.37Å; R179-Y185 HydrophobicContact CB-CD1 3.91Å; R179-Y185 PolarHBondContact NH1-O 3.21Å; S180-Y185 WeakPolarHBondContact O-CA 3.38Å; S180-Y185 PolarHBondContact O-N 3.37Å; A181-Y185 HydrophobicContact CB-CE1 4.33Å; S183-Y185 PolarHBondContact O-N 3.07Å; Y185-E339 PolarHBondContact OH-OE1 3.46Å; Y185-V341 HydrophobicContact CD2-CG1 3.96Å; Y185-V341 HydrophobicContact CD2-CG2 4.44Å; Y185-V341 HydrophobicContact CE2-CG1 4.14Å; Y185-V341 HydrophobicContact CE2-CG2 3.78Å; Y185-R351 PolarHBondContact O-NH1 3.27Å; Y185-M358 HydrophobicContact CD2-CB 4.22Å; Y185-M358 HydrophobicContact CG-CB 4.18Å; Y185-V359 HydrophobicContact CD2-CG2 4.22Å; Y185-V359 HydrophobicContact CE2-CG2 4.07Å; Y185-K362 WeakPolarHBondContact OH-CD 3.48Å; Y185-K362 PolarHBondContact OH-NZ 3.35Å
186L88.8Confident91.8Very high72 Ų7229.4 Ų29.438%0.37718%0.179SC..  trans-67.4148.2169.6-169.159.6000110.6S183 S184 G188 R351S183-L186 WeakPolarHBondContact O-CB 3.43Å; S183-L186 PolarHBondContact O-N 3.24Å; S184-L186 PolarHBondContact O-N 3.1Å; L186-G188 PolarHBondContact O-N 2.99Å; L186-G188 VanDerWaalsContact O-N 3.16Å; L186-R351 VanDerWaalsContact CA-NH2 3.29Å; L186-R351 VanDerWaalsContact N-NH2 3.14Å
187A89.8Confident91.7Very high60 Ų6033.5 Ų33.550%0.49621%0.207SC..  trans-62.4114.5166.900000109.1D191A187-D191 WeakPolarHBondContact CA-OD2 3.41Å
188G87Confident91.5Very high9 Ų933.9 Ų33.99%0.09321%0.209CC..  trans-109.5153-177.600000112.1L186 D190 D191L186-G188 PolarHBondContact O-N 2.99Å; L186-G188 VanDerWaalsContact O-N 3.16Å; G188-D190 PolarHBondContact O-N 2.86Å; G188-D191 PolarHBondContact N-OD1 3.43Å; G188-D191 VanDerWaalsContact N-OD1 3.17Å; G188-D191 PolarHBondContact N-OD2 3.36Å; G188-D191 WeakPolarHBondContact O-CB 3.36Å; G188-D191 PolarHBondContact O-N 2.98Å
189P86.2Confident91.4Very high78 Ų7834.5 Ų34.551%0.50621%0.213SC..THydrogen-bonded Turntrans-65.8-18.4170.129-34.3000112.5Q145Q145-P189 VanDerWaalsContact OE1-CG 3.25Å
190D86.9Confident91.3Very high19 Ų1943.6 Ų43.610%0.10225%0.247CC..THydrogen-bonded Turntrans-99.714.7179.155.53.6000112.8K120 G188K120-D190 VanDerWaalsContact CE-CG 3.48Å; K120-D190 WeakPolarHBondContact CE-OD2 3.34Å; K120-D190 IonicContact NZ-OD1 2.83Å; K120-D190 PolarHBondContact NZ-OD1 3.12Å; K120-D190 IonicContact NZ-OD2 3.43Å; K120-D190 PolarHBondContact NZ-OD2 3.11Å; G188-D190 PolarHBondContact O-N 2.86Å
191D93.3Very high91.4Very high5 Ų551.3 Ų51.33%0.02728%0.275CS..PPolyproline II helixtrans-64.4146.1171.7-74.4-8.4000111F177 R179 A187 G188 Y223F177-D191 HydrophobicContact CB-CB 4.15Å; F177-D191 HydrophobicContact CD1-CB 3.83Å; F177-D191 HydrophobicContact CG-CB 4.25Å; R179-D191 WeakPolarHBondContact CD-OD2 3.39Å; R179-D191 IonicContact CZ-OD2 2.88Å; R179-D191 IonicContact NE-OD2 3.99Å; R179-D191 PolarHBondContact NE-OD2 2.95Å; A187-D191 WeakPolarHBondContact CA-OD2 3.41Å; G188-D191 PolarHBondContact N-OD1 3.43Å; G188-D191 VanDerWaalsContact N-OD1 3.17Å; G188-D191 PolarHBondContact N-OD2 3.36Å; G188-D191 WeakPolarHBondContact O-CB 3.36Å; G188-D191 PolarHBondContact O-N 2.98Å; D191-Y223 HydrophobicContact CB-CD1 4.49Å
192I95.5Very high91.6Very high2 Ų250.5 Ų50.51%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-97.4116.5178.8-56.7156.1000108.9L116 F177 L178 I214 F224 L226L116-I192 HydrophobicContact CD2-CD1 4.12Å; L116-I192 HydrophobicContact CD2-CG1 4.1Å; F177-I192 CarbonylContact C-O 3.58Å; F177-I192 WeakPolarHBondContact CA-O 3.09Å; L178-I192 HydrophobicContact CB-CB 4.02Å; L178-I192 HydrophobicContact CB-CD1 4.39Å; L178-I192 HydrophobicContact CD1-CB 4.05Å; L178-I192 HydrophobicContact CD1-CD1 4.03Å; L178-I192 HydrophobicContact CD1-CG2 4.17Å; L178-I192 HydrophobicContact CG-CB 4.1Å; L178-I192 HydrophobicContact CG-CG2 4.5Å; L178-I192 PolarHBondContact N-O 2.56Å; L178-I192 PolarHBondContact O-N 3.02Å; I192-I214 HydrophobicContact CD1-CD1 4.39Å; I192-I214 HydrophobicContact CD1-CG2 3.93Å; I192-I214 HydrophobicContact CG1-CD1 4.47Å; I192-I214 HydrophobicContact CG1-CG2 4.25Å; I192-I214 HydrophobicContact CG2-CG2 3.78Å; I192-F224 CarbonylContact C-O 3.57Å; I192-F224 HydrophobicContact CG1-CB 4.11Å; I192-L226 HydrophobicContact CG2-CB 4.03Å
193Y97.1Very high92.1Very high82 Ų8251.4 Ų51.432%0.32227%0.269SS..EExtended strand (participates in β ladder)trans-63.9132173175.7-96.6000111.6F175 F177 F224 A225 L226F175-Y193 HydrophobicContact CB-CE2 3.78Å; F175-Y193 HydrophobicContact CD2-CD2 4.15Å; F175-Y193 AromaticContact CD2-CE2 3.7Å; F175-Y193 HydrophobicContact CD2-CE2 3.7Å; F175-Y193 AromaticContact CG-CE2 3.89Å; F175-Y193 HydrophobicContact CG-CE2 3.89Å; F177-Y193 HydrophobicContact CE1-CD2 4.15Å; F177-Y193 HydrophobicContact CZ-CD2 4.35Å; Y193-F224 VanDerWaalsContact CB-O 3.31Å; Y193-F224 WeakPolarHBondContact CB-O 3.4Å; Y193-F224 PolarHBondContact N-O 3Å; Y193-A225 HydrophobicContact CD1-CB 4.45Å; Y193-L226 PolarHBondContact O-N 3.06Å
194V97.5Very high92.5Very high0 Ų049.7 Ų49.70%026%0.256CS..EExtended strand (participates in β ladder)trans-120123.4175.1-172.40000109L168 G176 L178 Q198 I199 L226L168-V194 HydrophobicContact CD1-CB 4.02Å; L168-V194 HydrophobicContact CD1-CG1 4.37Å; L168-V194 HydrophobicContact CD1-CG2 3.9Å; G176-V194 PolarHBondContact N-O 3.22Å; G176-V194 PolarHBondContact O-N 3.26Å; L178-V194 HydrophobicContact CD1-CG2 4.39Å; L178-V194 HydrophobicContact CD2-CG2 3.7Å; L178-V194 HydrophobicContact CG-CG2 3.72Å; V194-Q198 HydrophobicContact CG1-CB 3.97Å; V194-I199 HydrophobicContact CG1-CD1 4.4Å; V194-I199 HydrophobicContact CG1-CG1 3.88Å; V194-L226 HydrophobicContact CG1-CD2 4.28Å; V194-L226 HydrophobicContact CG2-CD2 4.22Å
195S96.5Very high92.8Very high20 Ų2051.8 Ų51.814%0.1426%0.262CS..  trans-74.4153.6-176.372.70000112S197 Q198 I199S195-S197 PolarHBondContact O-N 2.86Å; S195-S197 VanDerWaalsContact O-N 3.14Å; S195-S197 PolarHBondContact OG-OG 3.23Å; S195-Q198 VanDerWaalsContact N-OE1 3.07Å; S195-Q198 PolarHBondContact O-N 2.96Å; S195-Q198 WeakPolarHBondContact OG-CG 3.17Å; S195-Q198 PolarHBondContact OG-N 3.42Å; S195-Q198 PolarHBondContact OG-OE1 3.2Å; S195-I199 PolarHBondContact O-N 3.09Å; S195-I199 VanDerWaalsContact O-N 3.11Å
196P96.8Very high93.1Very high43 Ų4353.6 Ų53.628%0.27927%0.273SS..Hα-helixtrans-56.6-30.4172-24.333000113F175 R200F175-P196 HydrophobicContact CB-CG 3.99Å; P196-R200 WeakPolarHBondContact O-CB 3.37Å; P196-R200 VanDerWaalsContact O-CG 3.29Å; P196-R200 WeakPolarHBondContact O-CG 3.48Å; P196-R200 PolarHBondContact O-N 2.93Å
197S95.4Very high93.5Very high85 Ų8550.1 Ų50.159%0.59426%0.255SS*.Hα-helixtrans-68.6-38.1177.158.50000112.6S195 R201S195-S197 PolarHBondContact O-N 2.86Å; S195-S197 VanDerWaalsContact O-N 3.14Å; S195-S197 PolarHBondContact OG-OG 3.23Å; S197-R201 WeakPolarHBondContact O-CB 3.46Å; S197-R201 PolarHBondContact O-N 3.2Å
198Q94.3Very high93.8Very high27 Ų2747.3 Ų47.313%0.12623%0.232CC..Hα-helixtrans-68.2-44.5174.8-73.4167.3-3100111.2V194 S195 R200 R201 F202 L226V194-Q198 HydrophobicContact CG1-CB 3.97Å; S195-Q198 VanDerWaalsContact N-OE1 3.07Å; S195-Q198 PolarHBondContact O-N 2.96Å; S195-Q198 WeakPolarHBondContact OG-CG 3.17Å; S195-Q198 PolarHBondContact OG-N 3.42Å; S195-Q198 PolarHBondContact OG-OE1 3.2Å; Q198-R200 PolarHBondContact O-N 3.09Å; Q198-R201 PolarHBondContact O-N 3.15Å; Q198-F202 WeakPolarHBondContact O-CD2 3.38Å; Q198-F202 PolarHBondContact O-N 3.16Å; Q198-F202 VanDerWaalsContact O-N 3.14Å; Q198-L226 PolarHBondContact NE2-O 3.26Å
199I94.9Very high94.3Very high17 Ų1747.3 Ų47.39%0.08723%0.229CC..Hα-helixtrans-55.6-51.1175.9-68.1167.3000110.3L168 I170 G174 V194 S195 N203 L204L168-I199 HydrophobicContact CD2-CG1 4.39Å; I170-I199 HydrophobicContact CD1-CD1 4.29Å; I170-I199 HydrophobicContact CD1-CG2 3.78Å; I170-I199 HydrophobicContact CG1-CD1 4.1Å; I170-I199 HydrophobicContact CG2-CD1 4.37Å; G174-I199 WeakPolarHBondContact O-CD1 3.15Å; V194-I199 HydrophobicContact CG1-CD1 4.4Å; V194-I199 HydrophobicContact CG1-CG1 3.88Å; S195-I199 PolarHBondContact O-N 3.09Å; S195-I199 VanDerWaalsContact O-N 3.11Å; I199-N203 WeakPolarHBondContact O-CA 3.4Å; I199-N203 PolarHBondContact O-N 3.4Å; I199-L204 HydrophobicContact CG2-CB 4.41Å; I199-L204 PolarHBondContact O-N 2.85Å
200R93.1Very high94.8Very high199 Ų19943.6 Ų43.675%0.75121%0.205SC*.Hα-helixtrans-64.9-40.5177.8-71.4176.2-174.4178.72.8112.8P196 Q198 F202 N203P196-R200 WeakPolarHBondContact O-CB 3.37Å; P196-R200 VanDerWaalsContact O-CG 3.29Å; P196-R200 WeakPolarHBondContact O-CG 3.48Å; P196-R200 PolarHBondContact O-N 2.93Å; Q198-R200 PolarHBondContact O-N 3.09Å; R200-F202 VanDerWaalsContact C-N 3.29Å; R200-F202 PolarHBondContact O-N 2.95Å; R200-N203 PolarHBondContact O-N 3.16Å; R200-N203 PolarHBondContact O-OD1 2.84Å
201R91.1Very high95.1Very high172 Ų17244 Ų4465%0.64921%0.209SC*.Hα-helixtrans-62.9-35.3-177.5179.7177.3178.3-178.5-0.4112.5S197 Q198 R241S197-R201 WeakPolarHBondContact O-CB 3.46Å; S197-R201 PolarHBondContact O-N 3.2Å; Q198-R201 PolarHBondContact O-N 3.15Å; R201-R241 VanDerWaalsContact O-CZ 3.24Å; R201-R241 PolarHBondContact O-NE 3.23Å; R201-R241 PolarHBondContact O-NH2 2.74Å
202F90.5Very high95.1Very high20 Ų2043.8 Ų43.89%0.08821%0.209CC..Hα-helixtrans-1096.7-178.1-61.7-76000113.5Q198 R200 L204 V229 P237Q198-F202 WeakPolarHBondContact O-CD2 3.38Å; Q198-F202 PolarHBondContact O-N 3.16Å; Q198-F202 VanDerWaalsContact O-N 3.14Å; R200-F202 VanDerWaalsContact C-N 3.29Å; R200-F202 PolarHBondContact O-N 2.95Å; F202-L204 HydrophobicContact CB-CD1 4.43Å; F202-L204 HydrophobicContact CB-CD2 3.56Å; F202-L204 HydrophobicContact CB-CG 3.8Å; F202-L204 PolarHBondContact O-N 2.78Å; F202-V229 HydrophobicContact CD2-CB 4.34Å; F202-V229 HydrophobicContact CD2-CG2 3.88Å; F202-V229 HydrophobicContact CE2-CB 3.91Å; F202-V229 HydrophobicContact CE2-CG2 3.71Å; F202-V229 HydrophobicContact CZ-CB 4.15Å; F202-V229 HydrophobicContact CZ-CG2 4.45Å; F202-P237 HydrophobicContact CD1-CB 3.73Å; F202-P237 HydrophobicContact CE1-CB 3.74Å
203N92Very high95.1Very high109 Ų10946.3 Ų46.358%0.58322%0.22SC*.THydrogen-bonded Turntrans50.942-174.4-68.6-24.3000113I199 R200I199-N203 WeakPolarHBondContact O-CA 3.4Å; I199-N203 PolarHBondContact O-N 3.4Å; R200-N203 PolarHBondContact O-N 3.16Å; R200-N203 PolarHBondContact O-OD1 2.84Å
204L94.2Very high95Very high7 Ų742.6 Ų42.64%0.03721%0.206CC..  trans-70.4149.2-177.7-52.7-179000111.2L168 I170 I199 F202 I210 V232L168-L204 HydrophobicContact CD2-CB 3.55Å; L168-L204 HydrophobicContact CD2-CD1 4.09Å; L168-L204 HydrophobicContact CD2-CG 4.45Å; I170-L204 WeakPolarHBondContact CD1-O 3.38Å; I199-L204 HydrophobicContact CG2-CB 4.41Å; I199-L204 PolarHBondContact O-N 2.85Å; F202-L204 HydrophobicContact CB-CD1 4.43Å; F202-L204 HydrophobicContact CB-CD2 3.56Å; F202-L204 HydrophobicContact CB-CG 3.8Å; F202-L204 PolarHBondContact O-N 2.78Å; L204-I210 HydrophobicContact CD1-CD1 4Å; L204-I210 HydrophobicContact CD1-CG1 4.32Å; L204-I210 HydrophobicContact CD2-CD1 3.85Å; L204-I210 HydrophobicContact CG-CD1 4.5Å; L204-V232 HydrophobicContact CD2-CG1 4.12Å; L204-V232 HydrophobicContact CD2-CG2 4.08Å
205R95.8Very high94.8Very high61 Ų6145 Ų4523%0.2321%0.214CC..  trans-131161.9174.3-68.2-171.2-67.8165.8-0.8110.8G207 D208 L245 E247 E368R205-G207 PolarHBondContact O-N 2.96Å; R205-D208 PolarHBondContact N-OD2 2.77Å; R205-D208 WeakPolarHBondContact O-CB 3.21Å; R205-D208 PolarHBondContact O-N 2.84Å; R205-D208 VanDerWaalsContact O-N 3.09Å; R205-L245 VanDerWaalsContact CZ-CD2 3.49Å; R205-L245 VanDerWaalsContact NH2-CD2 3.32Å; R205-E247 IonicContact NH1-OE2 3.11Å; R205-E368 IonicContact CZ-OE1 3.67Å; R205-E368 IonicContact CZ-OE2 3.86Å; R205-E368 IonicContact NH1-OE1 2.7Å; R205-E368 IonicContact NH2-OE1 3.73Å; R205-E368 PolarHBondContact NH2-OE1 2.97Å; R205-E368 IonicContact NH2-OE2 3.6Å; R205-E368 PolarHBondContact NH2-OE2 3.26Å
206T97.7Very high94.6Very high38 Ų3845 Ų4523%0.23321%0.214CC..THydrogen-bonded Turntrans-52.2134.4170.2-61.90000110.1L168 I170 M358 E361 R365L168-T206 CarbonylContact O-C 3.49Å; L168-T206 VanDerWaalsContact O-CA 3.27Å; L168-T206 WeakPolarHBondContact O-CA 3.17Å; I170-T206 PolarHBondContact N-OG1 2.93Å; I170-T206 VanDerWaalsContact N-OG1 3.08Å; T206-M358 HydrophobicContact CG2-SD 3.83Å; T206-E361 HydrophobicContact CG2-CB 4.27Å; T206-E361 HydrophobicContact CG2-CG 4.38Å; T206-R365 PolarHBondContact O-NH1 2.83Å
207G97.1Very high94.3Very high0 Ų043.7 Ų43.70%021%0.206CC..THydrogen-bonded Turntrans95.4-13.5-175.200000115L168 R205 T209 K362 R365L168-G207 PolarHBondContact O-N 2.71Å; R205-G207 PolarHBondContact O-N 2.96Å; G207-T209 PolarHBondContact O-N 3.11Å; G207-K362 WeakPolarHBondContact O-CA 3.31Å; G207-R365 VanDerWaalsContact C-CG 3.4Å
208D97Very high94Very high1 Ų146.3 Ų46.31%0.00521%0.206CC..  trans-69.6125.9178.4-76.4-43.8000108.7L168 R205 I210 V232 N233 K243 R365L168-D208 WeakPolarHBondContact CB-O 3.47Å; L168-D208 PolarHBondContact N-O 3.42Å; R205-D208 PolarHBondContact N-OD2 2.77Å; R205-D208 WeakPolarHBondContact O-CB 3.21Å; R205-D208 PolarHBondContact O-N 2.84Å; R205-D208 VanDerWaalsContact O-N 3.09Å; D208-I210 HydrophobicContact CB-CD1 3.94Å; D208-I210 PolarHBondContact O-N 3.04Å; D208-V232 HydrophobicContact CB-CG1 4.3Å; D208-N233 WeakPolarHBondContact CA-OD1 3.36Å; D208-N233 PolarHBondContact OD1-ND2 3.06Å; D208-K243 IonicContact OD1-NZ 3.11Å; D208-K243 PolarHBondContact OD1-NZ 3.18Å; D208-R365 WeakPolarHBondContact OD1-CD 3.24Å; D208-R365 WeakPolarHBondContact OD1-CG 3.42Å
209T96.8Very high93.6Very high8 Ų854.6 Ų54.65%0.04925%0.245CC..EExtended strand (participates in β ladder)trans-79118.6173-55.50000108.1G166 G207 V232 N233 F234G166-T209 WeakPolarHBondContact O-CA 3.43Å; G207-T209 PolarHBondContact O-N 3.11Å; T209-V232 CarbonylContact O-C 3.6Å; T209-V232 WeakPolarHBondContact O-CA 3.15Å; T209-N233 PolarHBondContact N-OD1 3.01Å; T209-N233 PolarHBondContact O-N 3.06Å; T209-F234 HydrophobicContact CG2-CE1 4.23Å; T209-F234 HydrophobicContact CG2-CZ 4.03Å
210I96.6Very high93.3Very high0 Ų057.9 Ų57.90%028%0.283CS..EExtended strand (participates in β ladder)trans-113130.2-176.2-55.7-50.9000108.5D165 G166 L168 L178 L204 D208 L226 V229 V232D165-I210 CarbonylContact C-O 3.59Å; D165-I210 WeakPolarHBondContact CA-O 3.04Å; G166-I210 PolarHBondContact N-O 3.4Å; G166-I210 VanDerWaalsContact N-O 3.1Å; G166-I210 PolarHBondContact O-N 3.14Å; L168-I210 HydrophobicContact CB-CG1 4.35Å; L178-I210 HydrophobicContact CD1-CB 3.89Å; L178-I210 HydrophobicContact CD1-CG2 4.08Å; L178-I210 HydrophobicContact CD2-CB 3.71Å; L178-I210 HydrophobicContact CD2-CG1 3.79Å; L178-I210 HydrophobicContact CD2-CG2 4.45Å; L178-I210 HydrophobicContact CG-CB 4.48Å; L204-I210 HydrophobicContact CD1-CD1 4Å; L204-I210 HydrophobicContact CD1-CG1 4.32Å; L204-I210 HydrophobicContact CD2-CD1 3.85Å; L204-I210 HydrophobicContact CG-CD1 4.5Å; D208-I210 HydrophobicContact CB-CD1 3.94Å; D208-I210 PolarHBondContact O-N 3.04Å; I210-L226 HydrophobicContact CG2-CD2 3.9Å; I210-V229 HydrophobicContact CG2-CG1 4.15Å; I210-V229 HydrophobicContact CG2-CG2 4.15Å; I210-V232 HydrophobicContact CD1-CB 4.31Å; I210-V232 HydrophobicContact CD1-CG1 3.94Å; I210-V232 HydrophobicContact CD1-CG2 3.98Å
211S94.5Very high93.2Very high27 Ų2752.3 Ų52.319%0.18927%0.266CS..EExtended strand (participates in β ladder)trans-122.9136171.6-51.60000109.2D165 N230 E231D165-S211 WeakPolarHBondContact CB-OG 3.32Å; S211-N230 PolarHBondContact O-N 2.96Å; S211-E231 PolarHBondContact N-O 3.22Å; S211-E231 VanDerWaalsContact N-O 3.11Å; S211-E231 PolarHBondContact O-N 2.95Å
212G93.9Very high93Very high2 Ų254.3 Ų54.32%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-177.2178.5-175.100000115.5F163 G164 K228F163-G212 WeakPolarHBondContact CA-O 3.43Å; G164-G212 PolarHBondContact N-O 3.48Å; G164-G212 PolarHBondContact O-N 3.25Å; G212-K228 CarbonylContact C-O 3.49Å; G212-K228 WeakPolarHBondContact CA-O 3.44Å
213K94.4Very high93.1Very high55 Ų5557.6 Ų57.624%0.23929%0.286CS..EExtended strand (participates in β ladder)trans-73.5130.4173.6-174.5177.3179.4165.80109.3D161 I162 F163 L227 K228D161-K213 HydrophobicContact CB-CD 4.41Å; D161-K213 WeakPolarHBondContact OD1-CE 3.48Å; D161-K213 IonicContact OD1-NZ 3.91Å; D161-K213 PolarHBondContact OD1-NZ 3.05Å; D161-K213 WeakPolarHBondContact OD2-CD 3.36Å; D161-K213 VanDerWaalsContact OD2-CE 3.23Å; D161-K213 WeakPolarHBondContact OD2-CE 3.31Å; D161-K213 IonicContact OD2-NZ 2.57Å; D161-K213 PolarHBondContact OD2-NZ 3.46Å; I162-K213 CarbonylContact O-C 3.59Å; I162-K213 WeakPolarHBondContact O-CA 3.43Å; F163-K213 HydrophobicContact CE1-CB 4.37Å; K213-L227 HydrophobicContact CB-CB 4.48Å; K213-L227 HydrophobicContact CD-CD1 4.37Å; K213-L227 HydrophobicContact CG-CB 4.33Å; K213-L227 HydrophobicContact CG-CD1 4.29Å; K213-L227 WeakPolarHBondContact O-CA 3.23Å; K213-L227 WeakPolarHBondContact O-CB 3.31Å; K213-L227 PolarHBondContact O-N 3.08Å; K213-K228 HydrophobicContact CB-CB 4.24Å; K213-K228 PolarHBondContact N-O 3.28Å; K213-K228 PolarHBondContact O-N 3.46Å; K213-K228 VanDerWaalsContact O-N 3.17Å
214I95.3Very high93.1Very high3 Ų352.7 Ų52.72%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-117.6168.7177.966.2172.5000110.7L116 I162 I192 F224 A225 L226L116-I214 HydrophobicContact CB-CD1 4.01Å; L116-I214 HydrophobicContact CD2-CD1 4.1Å; I162-I214 HydrophobicContact CB-CG1 4.05Å; I162-I214 HydrophobicContact CG2-CD1 3.78Å; I162-I214 HydrophobicContact CG2-CG1 3.52Å; I162-I214 PolarHBondContact O-N 3.17Å; I192-I214 HydrophobicContact CD1-CD1 4.39Å; I192-I214 HydrophobicContact CD1-CG2 3.93Å; I192-I214 HydrophobicContact CG1-CD1 4.47Å; I192-I214 HydrophobicContact CG1-CG2 4.25Å; I192-I214 HydrophobicContact CG2-CG2 3.78Å; I214-F224 HydrophobicContact CD1-CB 4.43Å; I214-F224 HydrophobicContact CD1-CD1 3.95Å; I214-F224 HydrophobicContact CD1-CG 4.35Å; I214-A225 CarbonylContact C-O 3.54Å; I214-A225 WeakPolarHBondContact CA-O 3.03Å; I214-L226 HydrophobicContact CG2-CD1 4.09Å
215R93.2Very high93.2Very high50 Ų5052.8 Ų52.819%0.18926%0.261CS..EExtended strand (participates in β ladder)trans-131.6149.9168.962.8173-175.585.4-3111E221 F224 A225 L227R215-E221 IonicContact CZ-OE1 2.75Å; R215-E221 IonicContact CZ-OE2 3.19Å; R215-E221 IonicContact NH1-OE1 3.91Å; R215-E221 IonicContact NH1-OE2 3.72Å; R215-E221 PolarHBondContact NH1-OE2 2.67Å; R215-E221 IonicContact NH2-OE1 3.26Å; R215-E221 PolarHBondContact NH2-OE1 3.27Å; R215-E221 IonicContact NH2-OE2 3.59Å; R215-E221 PolarHBondContact NH2-OE2 3.11Å; R215-E221 VanDerWaalsContact NH2-OE2 3.17Å; R215-F224 WeakPolarHBondContact O-CA 3.18Å; R215-F224 WeakPolarHBondContact O-CD1 3.16Å; R215-A225 HydrophobicContact CG-CB 3.99Å; R215-A225 PolarHBondContact N-O 3.35Å; R215-A225 PolarHBondContact O-N 3.06Å; R215-L227 HydrophobicContact CB-CD1 3.84Å; R215-L227 HydrophobicContact CB-CG 4.01Å; R215-L227 HydrophobicContact CG-CD1 4.33Å; R215-L227 HydrophobicContact CG-CD2 4.22Å; R215-L227 HydrophobicContact CG-CG 3.97Å
216P92.1Very high93.2Very high21 Ų2150.3 Ų50.314%0.13625%0.252CS..  trans-62.3156.4167.827.4-34.4000111.1A156 F224A156-P216 HydrophobicContact CB-CG 3.76Å; P216-F224 HydrophobicContact CB-CD1 4.45Å; P216-F224 HydrophobicContact CB-CE1 4.13Å
217P91.4Very high93.1Very high16 Ų1652.7 Ų52.710%0.10426%0.263CS..  trans-59.9137.5173.320.8-29000111.1F149 E221 Y223F149-P217 HydrophobicContact CE2-CG 3.42Å; F149-P217 VanDerWaalsContact CE2-CG 3.42Å; F149-P217 HydrophobicContact CZ-CG 3.68Å; P217-E221 WeakPolarHBondContact CA-OE2 3.15Å; P217-E221 HydrophobicContact CB-CB 3.57Å; P217-E221 WeakPolarHBondContact CB-O 3.34Å; P217-Y223 WeakPolarHBondContact CB-O 3.43Å
218K88.8Confident92.9Very high139 Ų13959.2 Ų59.260%0.60429%0.292SS*.  trans-76.3175.1168.8-71.6172.5-178.3-171.80110.4G220 E221K218-G220 PolarHBondContact O-N 2.68Å; K218-E221 HydrophobicContact CB-CG 4.49Å; K218-E221 PolarHBondContact N-OE2 3.11Å; K218-E221 WeakPolarHBondContact O-CB 3.34Å; K218-E221 PolarHBondContact O-N 3.38Å
219E85.9Confident92.7Very high202 Ų20259.5 Ų59.594%0.94429%0.294SS*.THydrogen-bonded Turntrans-51.6125.1171.2-114.4178.3167.800111.1E221E219-E221 VanDerWaalsContact C-N 3.34Å
220G87.9Confident92.5Very high86 Ų8662 Ų6289%0.88731%0.307SS*.THydrogen-bonded Turntrans87.2-13-177.200000115.7K218K218-G220 PolarHBondContact O-N 2.68Å
221E90.3Very high92.3Very high82 Ų8266.2 Ų66.238%0.38333%0.326SS..  trans-90.3151.5174.5-63.8175.1164.400110.9R215 P217 K218 E219R215-E221 IonicContact CZ-OE1 2.75Å; R215-E221 IonicContact CZ-OE2 3.19Å; R215-E221 IonicContact NH1-OE1 3.91Å; R215-E221 IonicContact NH1-OE2 3.72Å; R215-E221 PolarHBondContact NH1-OE2 2.67Å; R215-E221 IonicContact NH2-OE1 3.26Å; R215-E221 PolarHBondContact NH2-OE1 3.27Å; R215-E221 IonicContact NH2-OE2 3.59Å; R215-E221 PolarHBondContact NH2-OE2 3.11Å; R215-E221 VanDerWaalsContact NH2-OE2 3.17Å; P217-E221 WeakPolarHBondContact CA-OE2 3.15Å; P217-E221 HydrophobicContact CB-CB 3.57Å; P217-E221 WeakPolarHBondContact CB-O 3.34Å; K218-E221 HydrophobicContact CB-CG 4.49Å; K218-E221 PolarHBondContact N-OE2 3.11Å; K218-E221 WeakPolarHBondContact O-CB 3.34Å; K218-E221 PolarHBondContact O-N 3.38Å; E219-E221 VanDerWaalsContact C-N 3.34Å
222R88Confident92.3Very high213 Ų21364.9 Ų64.980%0.80432%0.317SS*.  trans-109.4-22.6-179.4-66.2-174.1179.7-173.9-0.1114.6
223Y91.6Very high92.3Very high90 Ų9064.9 Ų64.935%0.35332%0.317SS..SBendtrans-118.7154.6-170.3-60-76.1000111.4F177 D191 P217F177-Y223 AromaticContact CE1-CD1 3.99Å; F177-Y223 HydrophobicContact CE1-CD1 3.99Å; F177-Y223 AromaticContact CE1-CD2 3.68Å; F177-Y223 HydrophobicContact CE1-CD2 3.68Å; F177-Y223 HydrophobicContact CE1-CE1 4.34Å; F177-Y223 HydrophobicContact CE1-CE2 4.05Å; F177-Y223 AromaticContact CE1-CG 3.65Å; F177-Y223 HydrophobicContact CE1-CG 3.65Å; F177-Y223 AromaticContact CZ-CD2 3.8Å; F177-Y223 HydrophobicContact CZ-CD2 3.8Å; F177-Y223 AromaticContact CZ-CE2 3.76Å; F177-Y223 HydrophobicContact CZ-CE2 3.76Å; F177-Y223 HydrophobicContact CZ-CG 4.22Å; D191-Y223 HydrophobicContact CB-CD1 4.49Å; P217-Y223 WeakPolarHBondContact CB-O 3.43Å
224F93.5Very high92.1Very high6 Ų668.1 Ų68.13%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-59.3149165.1-71-89.6000109.3L116 F149 L152 I192 Y193 I214 R215 P216L116-F224 HydrophobicContact CD1-CE2 4.38Å; L116-F224 HydrophobicContact CD1-CZ 4.43Å; L116-F224 HydrophobicContact CD2-CD2 4.48Å; F149-F224 AromaticContact CD2-CE2 3.94Å; F149-F224 HydrophobicContact CD2-CE2 3.94Å; F149-F224 AromaticContact CD2-CZ 3.73Å; F149-F224 HydrophobicContact CD2-CZ 3.73Å; F149-F224 HydrophobicContact CE2-CE2 4.48Å; F149-F224 HydrophobicContact CE2-CZ 4.29Å; L152-F224 HydrophobicContact CB-CE1 4.24Å; L152-F224 HydrophobicContact CB-CZ 4.44Å; L152-F224 HydrophobicContact CD1-CE1 3.77Å; L152-F224 HydrophobicContact CD1-CZ 3.76Å; I192-F224 CarbonylContact C-O 3.57Å; I192-F224 HydrophobicContact CG1-CB 4.11Å; Y193-F224 VanDerWaalsContact CB-O 3.31Å; Y193-F224 WeakPolarHBondContact CB-O 3.4Å; Y193-F224 PolarHBondContact N-O 3Å; I214-F224 HydrophobicContact CD1-CB 4.43Å; I214-F224 HydrophobicContact CD1-CD1 3.95Å; I214-F224 HydrophobicContact CD1-CG 4.35Å; R215-F224 WeakPolarHBondContact O-CA 3.18Å; R215-F224 WeakPolarHBondContact O-CD1 3.16Å; P216-F224 HydrophobicContact CB-CD1 4.45Å; P216-F224 HydrophobicContact CB-CE1 4.13Å
225A95.7Very high91.9Very high9 Ų970.8 Ų70.87%0.07435%0.345CS..EExtended strand (participates in β ladder)trans-122137177.600000110.4Y193 I214 R215 L227Y193-A225 HydrophobicContact CD1-CB 4.45Å; I214-A225 CarbonylContact C-O 3.54Å; I214-A225 WeakPolarHBondContact CA-O 3.03Å; R215-A225 HydrophobicContact CG-CB 3.99Å; R215-A225 PolarHBondContact N-O 3.35Å; R215-A225 PolarHBondContact O-N 3.06Å; A225-L227 PolarHBondContact O-N 2.85Å
226L96.3Very high91.7Very high8 Ų875.2 Ų75.24%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-68.6126.7174-171.966000109.6I192 Y193 V194 Q198 I210 I214 V229I192-L226 HydrophobicContact CG2-CB 4.03Å; Y193-L226 PolarHBondContact O-N 3.06Å; V194-L226 HydrophobicContact CG1-CD2 4.28Å; V194-L226 HydrophobicContact CG2-CD2 4.22Å; Q198-L226 PolarHBondContact NE2-O 3.26Å; I210-L226 HydrophobicContact CG2-CD2 3.9Å; I214-L226 HydrophobicContact CG2-CD1 4.09Å; L226-V229 HydrophobicContact CD2-CG2 3.65Å
227L94Very high91.5Very high89 Ų8974.5 Ų74.547%0.46636%0.361SS..EExtended strand (participates in β ladder)trans-93-49.6174.5-80.7177.9000111.4K213 R215 A225K213-L227 HydrophobicContact CB-CB 4.48Å; K213-L227 HydrophobicContact CD-CD1 4.37Å; K213-L227 HydrophobicContact CG-CB 4.33Å; K213-L227 HydrophobicContact CG-CD1 4.29Å; K213-L227 WeakPolarHBondContact O-CA 3.23Å; K213-L227 WeakPolarHBondContact O-CB 3.31Å; K213-L227 PolarHBondContact O-N 3.08Å; R215-L227 HydrophobicContact CB-CD1 3.84Å; R215-L227 HydrophobicContact CB-CG 4.01Å; R215-L227 HydrophobicContact CG-CD1 4.33Å; R215-L227 HydrophobicContact CG-CD2 4.22Å; R215-L227 HydrophobicContact CG-CG 3.97Å; A225-L227 PolarHBondContact O-N 2.85Å
228K92.8Very high91.2Very high136 Ų13679 Ų7959%0.59138%0.381SS*.EExtended strand (participates in β ladder)trans-144.1128.1-176-176.8-175.6173.7-169.60109.7G212 K213G212-K228 CarbonylContact C-O 3.49Å; G212-K228 WeakPolarHBondContact CA-O 3.44Å; K213-K228 HydrophobicContact CB-CB 4.24Å; K213-K228 PolarHBondContact N-O 3.28Å; K213-K228 PolarHBondContact O-N 3.46Å; K213-K228 VanDerWaalsContact O-N 3.17Å
229V93.4Very high91Very high8 Ų876.5 Ų76.55%0.04837%0.374CS..EExtended strand (participates in β ladder)trans-75.8126.1169.1-179.60000108F202 I210 L226 V232 P237F202-V229 HydrophobicContact CD2-CB 4.34Å; F202-V229 HydrophobicContact CD2-CG2 3.88Å; F202-V229 HydrophobicContact CE2-CB 3.91Å; F202-V229 HydrophobicContact CE2-CG2 3.71Å; F202-V229 HydrophobicContact CZ-CB 4.15Å; F202-V229 HydrophobicContact CZ-CG2 4.45Å; I210-V229 HydrophobicContact CG2-CG1 4.15Å; I210-V229 HydrophobicContact CG2-CG2 4.15Å; L226-V229 HydrophobicContact CD2-CG2 3.65Å; V229-V232 HydrophobicContact CG1-CG2 3.68Å; V229-P237 HydrophobicContact CG1-CB 4.32Å; V229-P237 HydrophobicContact CG1-CG 3.82Å
230N92.2Very high90.7Very high60 Ų6067.2 Ų67.232%0.32133%0.332SS..EExtended strand (participates in β ladder)trans-101.1-38.9173.9-66.2-16.8000111.1F163 S211 P237F163-N230 WeakPolarHBondContact CE1-ND2 3.41Å; S211-N230 PolarHBondContact O-N 2.96Å; N230-P237 WeakPolarHBondContact O-CD 3.43Å; N230-P237 WeakPolarHBondContact O-CG 3.45Å
231E93.3Very high90.2Very high88 Ų8868.2 Ų68.241%0.41131%0.309SS..EExtended strand (participates in β ladder)trans-139.1149.8-179.5-62.4-179.2-179.700111.4S211 D235S211-E231 PolarHBondContact N-O 3.22Å; S211-E231 VanDerWaalsContact N-O 3.11Å; S211-E231 PolarHBondContact O-N 2.95Å; E231-D235 CarbonylContact C-O 3.59Å; E231-D235 WeakPolarHBondContact CA-O 3.47Å
232V94.9Very high89.7Confident0 Ų071.4 Ų71.40%033%0.328CS..EExtended strand (participates in β ladder)trans-129.5115.3172.8-178.10000107.7L204 D208 T209 I210 V229 F234 D235 P237 A240L204-V232 HydrophobicContact CD2-CG1 4.12Å; L204-V232 HydrophobicContact CD2-CG2 4.08Å; D208-V232 HydrophobicContact CB-CG1 4.3Å; T209-V232 CarbonylContact O-C 3.6Å; T209-V232 WeakPolarHBondContact O-CA 3.15Å; I210-V232 HydrophobicContact CD1-CB 4.31Å; I210-V232 HydrophobicContact CD1-CG1 3.94Å; I210-V232 HydrophobicContact CD1-CG2 3.98Å; V229-V232 HydrophobicContact CG1-CG2 3.68Å; V232-F234 VanDerWaalsContact C-N 3.33Å; V232-F234 PolarHBondContact O-N 2.83Å; V232-D235 PolarHBondContact N-O 3.21Å; V232-D235 PolarHBondContact O-N 2.79Å; V232-P237 HydrophobicContact CG2-CB 3.9Å; V232-P237 HydrophobicContact CG2-CG 4.16Å; V232-A240 HydrophobicContact CB-CB 3.94Å; V232-A240 HydrophobicContact CG1-CB 3.78Å
233N93.8Very high89.6Confident2 Ų263 Ų631%0.01130%0.298CS..THydrogen-bonded Turntrans53.545-175.4-56.9-48.8000113.5D208 T209 D235 L366 H369D208-N233 WeakPolarHBondContact CA-OD1 3.36Å; D208-N233 PolarHBondContact OD1-ND2 3.06Å; T209-N233 PolarHBondContact N-OD1 3.01Å; T209-N233 PolarHBondContact O-N 3.06Å; N233-D235 PolarHBondContact O-N 2.45Å; N233-L366 HydrophobicContact CB-CD2 4.27Å; N233-H369 PolarHBondContact ND2-CD2 2.63Å; N233-H369 VanDerWaalsContact ND2-CD2 3.29Å; N233-H369 PolarHBondContact ND2-NE2 2.77Å
234F90.9Very high89.6Confident123 Ų12362.5 Ų62.554%0.53930%0.301SS..THydrogen-bonded Turntrans64.322.4179-38.9-74.6000114T209 V232 L366T209-F234 HydrophobicContact CG2-CE1 4.23Å; T209-F234 HydrophobicContact CG2-CZ 4.03Å; V232-F234 VanDerWaalsContact C-N 3.33Å; V232-F234 PolarHBondContact O-N 2.83Å; F234-L366 HydrophobicContact CD2-CD2 4.15Å; F234-L366 HydrophobicContact CE2-CD2 3.9Å
235D89.7Confident89.7Confident59 Ų5965.6 Ų65.632%0.31632%0.317SS..BIsolated β-bridgetrans-135.8166.5174.6-16511.1000110.7E231 V232 N233 N239E231-D235 CarbonylContact C-O 3.59Å; E231-D235 WeakPolarHBondContact CA-O 3.47Å; V232-D235 PolarHBondContact N-O 3.21Å; V232-D235 PolarHBondContact O-N 2.79Å; N233-D235 PolarHBondContact O-N 2.45Å; D235-N239 VanDerWaalsContact CG-ND2 3.34Å; D235-N239 PolarHBondContact OD1-ND2 2.81Å; D235-N239 VanDerWaalsContact OD1-ND2 3.09Å; D235-N239 VanDerWaalsContact OD2-CB 3.24Å; D235-N239 WeakPolarHBondContact OD2-CB 3.37Å; D235-N239 PolarHBondContact OD2-ND2 2.87Å
236K89.7Confident89.7Confident142 Ų14265.4 Ų65.462%0.61731%0.314SS*.  trans-60.3136178.5-66.3-178.8-178.2176.60110.6E238 N239K236-E238 PolarHBondContact O-N 3.31Å; K236-N239 WeakPolarHBondContact O-CB 3.39Å; K236-N239 PolarHBondContact O-N 3.49Å
237P88.6Confident89.7Confident7 Ų769.9 Ų69.95%0.04534%0.335CS..THydrogen-bonded Turntrans-58.8-26.3-176-25.435.1000114.1F202 V229 N230 V232 N239 A240F202-P237 HydrophobicContact CD1-CB 3.73Å; F202-P237 HydrophobicContact CE1-CB 3.74Å; V229-P237 HydrophobicContact CG1-CB 4.32Å; V229-P237 HydrophobicContact CG1-CG 3.82Å; N230-P237 WeakPolarHBondContact O-CD 3.43Å; N230-P237 WeakPolarHBondContact O-CG 3.45Å; V232-P237 HydrophobicContact CG2-CB 3.9Å; V232-P237 HydrophobicContact CG2-CG 4.16Å; P237-N239 VanDerWaalsContact C-N 3.35Å; P237-A240 PolarHBondContact O-N 2.88Å
238E85Confident89.9Confident111 Ų11170.7 Ų70.752%0.51934%0.34SS..THydrogen-bonded Turntrans-65.1-37.1177.2-65.470.6-150.900112.2K236 A240 R241K236-E238 PolarHBondContact O-N 3.31Å; E238-A240 VanDerWaalsContact C-N 3.34Å; E238-R241 PolarHBondContact O-N 3.14Å
239N83.4Confident90.1Very high85 Ų8564.6 Ų64.646%0.45531%0.314SS..G310 helixtrans-69.9-34.9179.8-67.3-9.2000111.3D235 K236 P237 R241 N242D235-N239 VanDerWaalsContact CG-ND2 3.34Å; D235-N239 PolarHBondContact OD1-ND2 2.81Å; D235-N239 VanDerWaalsContact OD1-ND2 3.09Å; D235-N239 VanDerWaalsContact OD2-CB 3.24Å; D235-N239 WeakPolarHBondContact OD2-CB 3.37Å; D235-N239 PolarHBondContact OD2-ND2 2.87Å; K236-N239 WeakPolarHBondContact O-CB 3.39Å; K236-N239 PolarHBondContact O-N 3.49Å; P237-N239 VanDerWaalsContact C-N 3.35Å; N239-R241 PolarHBondContact O-N 3.44Å; N239-R241 VanDerWaalsContact O-N 3.15Å; N239-N242 PolarHBondContact O-N 2.89Å
240A79.2Confident90.3Very high7 Ų766.9 Ų66.96%0.05833%0.328CS..G310 helixtrans-64.1-18.8179.300000113.7V232 P237 E238 K243V232-A240 HydrophobicContact CB-CB 3.94Å; V232-A240 HydrophobicContact CG1-CB 3.78Å; P237-A240 PolarHBondContact O-N 2.88Å; E238-A240 VanDerWaalsContact C-N 3.34Å; A240-K243 WeakPolarHBondContact O-CG 3.49Å
241R78.2Confident90.5Very high107 Ų10767.8 Ų67.840%0.40434%0.337SS..G310 helixtrans-75.4-29.9-179.2-67.9-175.8178.4-179.60.7114.1R201 E238 N239R201-R241 VanDerWaalsContact O-CZ 3.24Å; R201-R241 PolarHBondContact O-NE 3.23Å; R201-R241 PolarHBondContact O-NH2 2.74Å; E238-R241 PolarHBondContact O-N 3.14Å; N239-R241 PolarHBondContact O-N 3.44Å; N239-R241 VanDerWaalsContact O-N 3.15Å
242N79.8Confident90.7Very high149 Ų14967 Ų6780%0.79734%0.335SS*.G310 helixtrans-10213.2-174.1-66.1-25.4000112.8N239N239-N242 PolarHBondContact O-N 2.89Å
243K85.6Confident90.8Very high38 Ų3872 Ų7217%0.16536%0.358CS..PPolyproline II helixtrans-74.6147.4-179.772.4-174.1173.21550112D208 A240 E368D208-K243 IonicContact OD1-NZ 3.11Å; D208-K243 PolarHBondContact OD1-NZ 3.18Å; A240-K243 WeakPolarHBondContact O-CG 3.49Å; K243-E368 HydrophobicContact CD-CB 3.98Å; K243-E368 WeakPolarHBondContact CE-OE2 3.29Å; K243-E368 IonicContact NZ-OE2 3.65Å; K243-E368 PolarHBondContact NZ-OE2 2.71Å
244I91.8Very high90.9Very high79 Ų7972.1 Ų72.141%0.40536%0.36SS..PPolyproline II helixtrans-75.9136171.4-58.2173000107.8N248 L249 E422I244-N248 HydrophobicContact CG2-CB 3.7Å; I244-L249 HydrophobicContact CB-CD2 3.96Å; I244-L249 HydrophobicContact CG2-CD2 3.79Å; I244-L249 HydrophobicContact CG2-CG 4.34Å; I244-E422 HydrophobicContact CD1-CG 4.3Å
245L94.9Very high91Very high71 Ų7171.1 Ų71.137%0.37236%0.36SS..PPolyproline II helixtrans-67.6145.7177.1-50.6-179.6000110.2R205 E247 N248 L249R205-L245 VanDerWaalsContact CZ-CD2 3.49Å; R205-L245 VanDerWaalsContact NH2-CD2 3.32Å; L245-E247 PolarHBondContact O-N 2.91Å; L245-E247 VanDerWaalsContact O-N 3.08Å; L245-N248 WeakPolarHBondContact O-CB 3.38Å; L245-N248 PolarHBondContact O-N 3.44Å; L245-L249 PolarHBondContact O-N 2.84Å
246F97.2Very high91.3Very high5 Ų570.7 Ų70.72%0.02236%0.362CS..G310 helixtrans-52.9-35.3-179.8-175-93.3000113.4N248 L249 K364 V367 E368 A416 R418 L426F246-N248 PolarHBondContact O-N 2.99Å; F246-L249 HydrophobicContact CD2-CD1 4.11Å; F246-L249 WeakPolarHBondContact O-CB 3.19Å; F246-L249 PolarHBondContact O-N 2.92Å; F246-K364 HydrophobicContact CB-CB 4.17Å; F246-K364 HydrophobicContact CB-CG 4.47Å; F246-K364 HydrophobicContact CD1-CB 4.43Å; F246-K364 HydrophobicContact CD1-CD 4.04Å; F246-K364 HydrophobicContact CD1-CG 3.85Å; F246-K364 HydrophobicContact CD2-CB 4.01Å; F246-K364 HydrophobicContact CD2-CG 4.04Å; F246-K364 HydrophobicContact CE1-CD 4.42Å; F246-K364 HydrophobicContact CE1-CG 4.03Å; F246-K364 HydrophobicContact CE2-CG 4.2Å; F246-K364 HydrophobicContact CG-CB 3.95Å; F246-K364 HydrophobicContact CG-CD 4.33Å; F246-K364 HydrophobicContact CG-CG 3.85Å; F246-K364 HydrophobicContact CZ-CG 4.19Å; F246-V367 HydrophobicContact CD2-CB 4.06Å; F246-V367 HydrophobicContact CD2-CG1 3.99Å; F246-V367 HydrophobicContact CE2-CB 3.98Å; F246-V367 HydrophobicContact CE2-CG1 3.78Å; F246-V367 HydrophobicContact CE2-CG2 4.46Å; F246-E368 HydrophobicContact CB-CG 3.9Å; F246-E368 VanDerWaalsContact CB-OE1 3.3Å; F246-E368 WeakPolarHBondContact CB-OE1 3.31Å; F246-E368 PolarHBondContact N-OE1 3.06Å; F246-A416 WeakPolarHBondContact CZ-O 3.46Å; F246-R418 HydrophobicContact CZ-CG 4.03Å; F246-L426 HydrophobicContact CZ-CD2 4.26Å
247E96.2Very high91.7Very high101 Ų10165.5 Ų65.547%0.47234%0.338SS..G310 helixtrans-67.5-23.9178.8-63.873.1-156.700113.6R205 L245R205-E247 IonicContact NH1-OE2 3.11Å; L245-E247 PolarHBondContact O-N 2.91Å; L245-E247 VanDerWaalsContact O-N 3.08Å
248N96.8Very high92.2Very high106 Ų10665.2 Ų65.257%0.56734%0.336SS*.G310 helixtrans-96.1-7.4-178.7-63.3-17000112.7I244 L245 F246I244-N248 HydrophobicContact CG2-CB 3.7Å; L245-N248 WeakPolarHBondContact O-CB 3.38Å; L245-N248 PolarHBondContact O-N 3.44Å; F246-N248 PolarHBondContact O-N 2.99Å
249L97Very high92.8Very high9 Ų963.7 Ų63.75%0.04733%0.326CS..SBendtrans-71.4138.6177-66.8175.3000110.5I244 L245 F246 P251 V367 V420 E422I244-L249 HydrophobicContact CB-CD2 3.96Å; I244-L249 HydrophobicContact CG2-CD2 3.79Å; I244-L249 HydrophobicContact CG2-CG 4.34Å; L245-L249 PolarHBondContact O-N 2.84Å; F246-L249 HydrophobicContact CD2-CD1 4.11Å; F246-L249 WeakPolarHBondContact O-CB 3.19Å; F246-L249 PolarHBondContact O-N 2.92Å; L249-P251 VanDerWaalsContact O-CD 3.26Å; L249-P251 WeakPolarHBondContact O-CD 3.42Å; L249-V367 HydrophobicContact CD1-CG1 4.22Å; L249-V420 HydrophobicContact CB-CG1 3.65Å; L249-V420 HydrophobicContact CB-CG2 4.13Å; L249-V420 HydrophobicContact CD1-CG1 3.96Å; L249-V420 HydrophobicContact CD1-CG2 4.16Å; L249-V420 HydrophobicContact CD2-CG1 3.91Å; L249-V420 HydrophobicContact CG-CG1 4.02Å; L249-E422 HydrophobicContact CD2-CB 4.03Å; L249-E422 HydrophobicContact CD2-CG 4.22Å
250T97.4Very high93.5Very high56 Ų5659.7 Ų59.734%0.34431%0.305SS..  trans-78.5113.5-174.2-55.60000110.3E421 E422T250-E421 PolarHBondContact O-N 3.15Å; T250-E422 WeakPolarHBondContact CB-OE1 3.05Å; T250-E422 PolarHBondContact N-OE1 2.94Å; T250-E422 PolarHBondContact N-OE2 3.5Å; T250-E422 PolarHBondContact OG1-OE1 3.34Å
251P97.4Very high94.4Very high78 Ų7860 Ų6051%0.50631%0.305SS..EExtended strand (participates in β ladder)trans-76.6129.1-177.930.3-32.6000111.3L249 R418 N419L249-P251 VanDerWaalsContact O-CD 3.26Å; L249-P251 WeakPolarHBondContact O-CD 3.42Å; P251-R418 HydrophobicContact CB-CB 4.35Å; P251-N419 WeakPolarHBondContact CA-O 3.16Å
252L96.7Very high95.3Very high73 Ų7357 Ų5738%0.38229%0.293SS..EExtended strand (participates in β ladder)trans-119.2166.3174-66.6-178.7000112.2N419 E421L252-N419 HydrophobicContact CB-CB 4.44Å; L252-N419 PolarHBondContact N-O 3.5Å; L252-N419 WeakPolarHBondContact O-CB 3.42Å; L252-E421 HydrophobicContact CD1-CB 3.69Å; L252-E421 HydrophobicContact CD1-CG 4.03Å; L252-E421 HydrophobicContact CG-CB 4.21Å
253H96.7Very high96Very high103 Ų10351.3 Ų51.348%0.47727%0.271SS..  trans-64.3154.9160.7-68.9-73000110.1N255 N419 L483H253-N255 PolarHBondContact O-N 3.34Å; H253-N419 PolarHBondContact O-ND2 3.36Å; H253-L483 HydrophobicContact CB-CD1 3.63Å
254A96.8Very high96.3Very high6 Ų653.3 Ų53.35%0.0528%0.283CS..  trans-62.8128.4174.400000109.7R283 L484A254-R283 WeakPolarHBondContact CA-O 3.44Å; A254-R283 VanDerWaalsContact CB-O 3.23Å; A254-R283 WeakPolarHBondContact CB-O 3.37Å; A254-L484 HydrophobicContact CB-CD2 3.9Å; A254-L484 WeakPolarHBondContact O-CD2 3.46Å
255N92.8Very high96.2Very high101 Ų10151.5 Ų51.554%0.5428%0.284SS..  trans-123.6-12.1-176.963.2-5.2000113.1H253 N419H253-N255 PolarHBondContact O-N 3.34Å; N255-N419 VanDerWaalsContact CG-ND2 3.27Å; N255-N419 PolarHBondContact OD1-ND2 3.32Å
256S96.9Very high96.2Very high51 Ų5149.8 Ų49.836%0.35728%0.278SS..SBendtrans-115.8120.2174.8177.40000108.6G282 R283S256-G282 CarbonylContact O-C 3.52Å; S256-G282 WeakPolarHBondContact O-CA 3.38Å; S256-R283 PolarHBondContact O-N 3.3Å
257R97.9Very high95.9Very high32 Ų3254.6 Ų54.612%0.12131%0.308CS..BIsolated β-bridgetrans-81.5133.6-175.6178.8169.5171.7-174.46.2111.8R259 D276 L484 E489R257-R259 PolarHBondContact O-N 2.83Å; R257-D276 IonicContact CZ-OD1 2.67Å; R257-D276 IonicContact NE-OD1 3.89Å; R257-D276 PolarHBondContact NE-OD1 2.8Å; R257-D276 VanDerWaalsContact NH2-CG 3.28Å; R257-D276 PolarHBondContact NH2-O 3.29Å; R257-D276 VanDerWaalsContact NH2-O 3.14Å; R257-D276 IonicContact NH2-OD1 3.7Å; R257-D276 PolarHBondContact NH2-OD1 3.25Å; R257-L484 HydrophobicContact CB-CB 4.34Å; R257-L484 HydrophobicContact CB-CD2 4.37Å; R257-L484 WeakPolarHBondContact CD-O 3.44Å; R257-E489 IonicContact CZ-OE1 3.9Å; R257-E489 IonicContact NH1-OE1 3.89Å; R257-E489 PolarHBondContact NH1-OE1 3.01Å; R257-E489 IonicContact NH1-OE2 3.6Å; R257-E489 PolarHBondContact NH1-OE2 2.91Å; R257-E489 IonicContact NH2-OE1 2.69Å; R257-E489 PolarHBondContact NH2-OE1 3.23Å
258L98.3Very high95.7Very high1 Ų154.5 Ų54.51%0.00531%0.307CS..  trans-92.583.2166.5-64.5172.7000108.1M260 I281 R283 H312 I374L258-M260 HydrophobicContact CB-CE 3.83Å; L258-M260 WeakPolarHBondContact O-CE 3.37Å; L258-M260 PolarHBondContact O-N 2.83Å; L258-I281 HydrophobicContact CB-CG2 4.42Å; L258-I281 HydrophobicContact CD1-CG2 4.32Å; L258-I281 PolarHBondContact N-O 3.35Å; L258-R283 HydrophobicContact CD1-CG 4.27Å; L258-R283 HydrophobicContact CD2-CG 3.82Å; L258-R283 HydrophobicContact CG-CG 3.91Å; L258-H312 HydrophobicContact CD2-CB 4.18Å; L258-I374 HydrophobicContact CD1-CD1 3.62Å; L258-I374 HydrophobicContact CD1-CG1 4.42Å
259R98.1Very high95.7Very high79 Ų7949.5 Ų49.530%0.29828%0.281SS..  trans-61.7126.7175.4-174.7177.2-67-97.3-5108.9R257 E261 D276 N311 H312 E489R257-R259 PolarHBondContact O-N 2.83Å; R259-E261 HydrophobicContact CG-CB 4.15Å; R259-E261 IonicContact NH1-OE2 3.37Å; R259-E261 PolarHBondContact NH1-OE2 2.99Å; R259-D276 WeakPolarHBondContact CG-OD2 3.27Å; R259-N311 PolarHBondContact O-ND2 3.33Å; R259-H312 PolarHBondContact N-NE2 3.38Å; R259-H312 PolarHBondContact O-NE2 3.26Å; R259-E489 IonicContact NH2-OE1 2.89Å; R259-E489 IonicContact NH2-OE2 3.86Å
260M98.2Very high95.6Very high2 Ų250.5 Ų50.51%0.0129%0.286CS..  trans-91.6-33-176.2-63.7-61164.200111.4L258 R262 A272 L275 D276 I281 I304 S307 I308 N311L258-M260 HydrophobicContact CB-CE 3.83Å; L258-M260 WeakPolarHBondContact O-CE 3.37Å; L258-M260 PolarHBondContact O-N 2.83Å; M260-R262 PolarHBondContact O-N 3.15Å; M260-A272 HydrophobicContact CB-CB 3.88Å; M260-A272 WeakPolarHBondContact O-CB 3.48Å; M260-L275 HydrophobicContact CB-CD2 4.32Å; M260-L275 HydrophobicContact CG-CD2 3.75Å; M260-D276 WeakPolarHBondContact CA-OD2 3.33Å; M260-D276 PolarHBondContact N-OD2 2.94Å; M260-I281 HydrophobicContact CE-CB 3.91Å; M260-I281 HydrophobicContact CE-CD1 3.97Å; M260-I281 HydrophobicContact CE-CG1 4.49Å; M260-I281 HydrophobicContact CE-CG2 3.89Å; M260-I304 HydrophobicContact CE-CG2 4.49Å; M260-I304 HydrophobicContact SD-CG2 4.4Å; M260-S307 VanDerWaalsContact O-CB 3.23Å; M260-S307 WeakPolarHBondContact O-CB 3.39Å; M260-S307 PolarHBondContact O-OG 3.15Å; M260-I308 HydrophobicContact CE-CD1 4.2Å; M260-I308 HydrophobicContact CE-CG1 3.91Å; M260-I308 HydrophobicContact SD-CG1 3.93Å; M260-N311 PolarHBondContact O-ND2 3.14Å
261E98Very high95.6Very high13 Ų1348.9 Ų48.96%0.06128%0.276CS..  trans-51.4124173.2172.3-179.5-152.200111.1R259 R273 D276 N311 T521 N522R259-E261 HydrophobicContact CG-CB 4.15Å; R259-E261 IonicContact NH1-OE2 3.37Å; R259-E261 PolarHBondContact NH1-OE2 2.99Å; E261-R273 HydrophobicContact CB-CG 4.05Å; E261-R273 HydrophobicContact CG-CG 3.74Å; E261-D276 WeakPolarHBondContact CB-OD2 3.29Å; E261-D276 PolarHBondContact N-OD2 3.44Å; E261-N311 PolarHBondContact O-ND2 3.32Å; E261-T521 WeakPolarHBondContact OE1-CA 3.32Å; E261-T521 WeakPolarHBondContact OE1-CB 3.41Å; E261-N522 PolarHBondContact OE1-N 2.91Å
262R96.7Very high95.6Very high43 Ų4345.2 Ų45.216%0.16225%0.252CS..  trans-89.3-25.2175.2-62.7172.4-80-175.3-10.5111.7M260 N264 D269 Y310M260-R262 PolarHBondContact O-N 3.15Å; R262-N264 VanDerWaalsContact C-N 3.29Å; R262-N264 PolarHBondContact O-N 2.87Å; R262-D269 WeakPolarHBondContact CB-OD1 3.44Å; R262-D269 PolarHBondContact N-OD1 2.94Å; R262-D269 PolarHBondContact N-OD2 3.47Å; R262-D269 IonicContact NE-OD1 2.93Å; R262-D269 PolarHBondContact NE-OD1 3.31Å; R262-Y310 HydrophobicContact CB-CD1 4.03Å; R262-Y310 HydrophobicContact CB-CE1 4.06Å; R262-Y310 HydrophobicContact CG-CD1 3.72Å; R262-Y310 HydrophobicContact CG-CE1 4.27Å; R262-Y310 HydrophobicContact CG-CG 4.4Å
263G94.5Very high95.7Very high31 Ų3142 Ų4232%0.3224%0.235SC..  trans73.917.5178.300000113.9D269G263-D269 PolarHBondContact N-OD2 3.08Å
264N93.1Very high95.7Very high79 Ų7937.1 Ų37.142%0.42221%0.212SC..SBendtrans-87.1-6.9-176.164.513.9000113.6R262 S266R262-N264 VanDerWaalsContact C-N 3.29Å; R262-N264 PolarHBondContact O-N 2.87Å; N264-S266 VanDerWaalsContact C-N 3.25Å; N264-S266 PolarHBondContact O-N 3.33Å; N264-S266 VanDerWaalsContact OD1-CB 3.27Å; N264-S266 WeakPolarHBondContact OD1-CB 3.25Å; N264-S266 PolarHBondContact OD1-N 3.29Å; N264-S266 PolarHBondContact OD1-OG 3.13Å
265G89.7Confident95.8Very high42 Ų4236.9 Ų36.943%0.43321%0.21SC..  trans73.112.1-179.200000114.7
266S93.2Very high96Very high34 Ų3432 Ų3224%0.23819%0.185CC..  trans-70.4154.2173.566.50000111.6N264 E268 D269N264-S266 VanDerWaalsContact C-N 3.25Å; N264-S266 PolarHBondContact O-N 3.33Å; N264-S266 VanDerWaalsContact OD1-CB 3.27Å; N264-S266 WeakPolarHBondContact OD1-CB 3.25Å; N264-S266 PolarHBondContact OD1-N 3.29Å; N264-S266 PolarHBondContact OD1-OG 3.13Å; S266-E268 WeakPolarHBondContact CB-OE2 3.49Å; S266-E268 PolarHBondContact O-N 3.4Å; S266-D269 WeakPolarHBondContact O-CB 3.44Å; S266-D269 PolarHBondContact O-N 2.83Å; S266-D269 VanDerWaalsContact O-N 3.14Å; S266-D269 WeakPolarHBondContact OG-CB 3.36Å; S266-D269 PolarHBondContact OG-N 3.09Å
267T92.5Very high96.1Very high107 Ų10729.8 Ų29.866%0.65617%0.168SC*.THydrogen-bonded Turntrans-62.6-32.2177.941.20000112.6D269 L270T267-D269 VanDerWaalsContact C-N 3.31Å; T267-L270 WeakPolarHBondContact O-CB 3.19Å; T267-L270 WeakPolarHBondContact O-CG 3.31Å; T267-L270 PolarHBondContact O-N 3Å
268E91.7Very high96.1Very high98 Ų9828.4 Ų28.446%0.45816%0.164SC..THydrogen-bonded Turntrans-67.1-34.9177.5-62.581.4173.200110.7S266 L270 T271 N303S266-E268 WeakPolarHBondContact CB-OE2 3.49Å; S266-E268 PolarHBondContact O-N 3.4Å; E268-L270 PolarHBondContact O-N 3.19Å; E268-T271 WeakPolarHBondContact O-CB 3.41Å; E268-T271 PolarHBondContact O-N 3.26Å; E268-T271 VanDerWaalsContact O-N 3.14Å; E268-N303 PolarHBondContact O-ND2 2.97Å
269D95.9Very high96Very high1 Ų128.4 Ų28.41%0.00516%0.164CC..Hα-helixtrans-67-19.2179.8-153.441.5000113.1R262 G263 S266 T267 T271 A272 R273R262-D269 WeakPolarHBondContact CB-OD1 3.44Å; R262-D269 PolarHBondContact N-OD1 2.94Å; R262-D269 PolarHBondContact N-OD2 3.47Å; R262-D269 IonicContact NE-OD1 2.93Å; R262-D269 PolarHBondContact NE-OD1 3.31Å; G263-D269 PolarHBondContact N-OD2 3.08Å; S266-D269 WeakPolarHBondContact O-CB 3.44Å; S266-D269 PolarHBondContact O-N 2.83Å; S266-D269 VanDerWaalsContact O-N 3.14Å; S266-D269 WeakPolarHBondContact OG-CB 3.36Å; S266-D269 PolarHBondContact OG-N 3.09Å; T267-D269 VanDerWaalsContact C-N 3.31Å; D269-T271 PolarHBondContact O-N 3.46Å; D269-A272 PolarHBondContact O-N 3.26Å; D269-R273 WeakPolarHBondContact O-CB 3.37Å; D269-R273 VanDerWaalsContact O-CG 3.27Å; D269-R273 WeakPolarHBondContact O-CG 3.36Å; D269-R273 PolarHBondContact O-N 3.09Å
270L96.2Very high96Very high30 Ų3024.6 Ų24.616%0.15715%0.15CC..Hα-helixtrans-57.3-34.9171.4-65.5176.2000111.9T267 E268 V274 L516T267-L270 WeakPolarHBondContact O-CB 3.19Å; T267-L270 WeakPolarHBondContact O-CG 3.31Å; T267-L270 PolarHBondContact O-N 3Å; E268-L270 PolarHBondContact O-N 3.19Å; L270-V274 VanDerWaalsContact O-CG2 3.26Å; L270-V274 WeakPolarHBondContact O-CG2 3.39Å; L270-V274 PolarHBondContact O-N 2.96Å; L270-L516 HydrophobicContact CD2-CB 4.12Å
271T96.9Very high96Very high23 Ų2324.6 Ų24.614%0.14115%0.15CC..Hα-helixtrans-65.8-48.2178-61.70000111.3E268 D269 V274 L275 L300 N303 P469E268-T271 WeakPolarHBondContact O-CB 3.41Å; E268-T271 PolarHBondContact O-N 3.26Å; E268-T271 VanDerWaalsContact O-N 3.14Å; D269-T271 PolarHBondContact O-N 3.46Å; T271-V274 PolarHBondContact O-N 3.01Å; T271-L275 WeakPolarHBondContact O-CB 3.39Å; T271-L275 PolarHBondContact O-N 3.3Å; T271-L300 HydrophobicContact CG2-CD1 3.28Å; T271-N303 HydrophobicContact CG2-CB 4.22Å; T271-P469 HydrophobicContact CG2-CB 4.15Å
272A97.6Very high96Very high1 Ų124 Ų241%0.00815%0.147CC..Hα-helixtrans-63.6-41.517800000111.9M260 D269 L275 D276M260-A272 HydrophobicContact CB-CB 3.88Å; M260-A272 WeakPolarHBondContact O-CB 3.48Å; D269-A272 PolarHBondContact O-N 3.26Å; A272-L275 WeakPolarHBondContact O-CB 3.33Å; A272-L275 PolarHBondContact O-N 3.45Å; A272-D276 PolarHBondContact O-N 2.84Å
273R97.9Very high96.1Very high5 Ų523.2 Ų23.22%0.01914%0.144CC..Hα-helixtrans-61.5-46.4176.5-76.2174.463.3-170.22.7112.7E261 D269 L275 D276 L277 L516 T519 K520 T521 N522E261-R273 HydrophobicContact CB-CG 4.05Å; E261-R273 HydrophobicContact CG-CG 3.74Å; D269-R273 WeakPolarHBondContact O-CB 3.37Å; D269-R273 VanDerWaalsContact O-CG 3.27Å; D269-R273 WeakPolarHBondContact O-CG 3.36Å; D269-R273 PolarHBondContact O-N 3.09Å; R273-L275 VanDerWaalsContact C-N 3.33Å; R273-D276 PolarHBondContact O-N 2.86Å; R273-L277 WeakPolarHBondContact O-CG 3.46Å; R273-L277 PolarHBondContact O-N 3.06Å; R273-L516 PolarHBondContact NH1-O 3.2Å; R273-L516 PolarHBondContact NH2-O 3.26Å; R273-L516 VanDerWaalsContact NH2-O 3.08Å; R273-T519 PolarHBondContact NH1-O 3.46Å; R273-T519 PolarHBondContact NH2-OG1 2.84Å; R273-K520 PolarHBondContact NH1-O 3.14Å; R273-T521 PolarHBondContact NH2-O 2.82Å; R273-N522 WeakPolarHBondContact CB-OD1 3.49Å; R273-N522 PolarHBondContact NE-OD1 3.25Å; R273-N522 PolarHBondContact O-ND2 2.95Å; R273-N522 VanDerWaalsContact O-ND2 3.13Å
274V97.8Very high96.3Very high0 Ų021.8 Ų21.80%013%0.13CC..Hα-helixtrans-64.8-40.3176.5174.80000110.7L270 T271 D276 L277 A278 P469 I471 M509 L512 L516L270-V274 VanDerWaalsContact O-CG2 3.26Å; L270-V274 WeakPolarHBondContact O-CG2 3.39Å; L270-V274 PolarHBondContact O-N 2.96Å; T271-V274 PolarHBondContact O-N 3.01Å; V274-D276 PolarHBondContact O-N 2.81Å; V274-L277 PolarHBondContact O-N 3.46Å; V274-A278 VanDerWaalsContact O-CB 3.29Å; V274-A278 WeakPolarHBondContact O-CB 3.49Å; V274-A278 PolarHBondContact O-N 3.28Å; V274-P469 HydrophobicContact CB-CG 4.04Å; V274-P469 HydrophobicContact CG1-CG 4.29Å; V274-P469 HydrophobicContact CG2-CG 4.01Å; V274-I471 HydrophobicContact CB-CD1 4.2Å; V274-I471 HydrophobicContact CG1-CB 4.4Å; V274-I471 HydrophobicContact CG1-CD1 3.59Å; V274-I471 HydrophobicContact CG1-CG2 4.5Å; V274-M509 HydrophobicContact CG1-CE 4.25Å; V274-M509 HydrophobicContact CG2-CE 4.44Å; V274-L512 HydrophobicContact CG1-CD2 3.91Å; V274-L512 HydrophobicContact CG2-CD2 3.99Å; V274-L512 HydrophobicContact CG2-CG 4.39Å; V274-L516 HydrophobicContact CG2-CD1 3.5Å; V274-L516 VanDerWaalsContact CG2-CD1 3.5Å
275L97.8Very high96.5Very high1 Ų118.2 Ų18.21%0.00511%0.11CC..Hα-helixtrans-59.9-45.4176.2-179.8161.2000111.5M260 T271 A272 R273 L277 A278 S279 I281 L300 I304 L456M260-L275 HydrophobicContact CB-CD2 4.32Å; M260-L275 HydrophobicContact CG-CD2 3.75Å; T271-L275 WeakPolarHBondContact O-CB 3.39Å; T271-L275 PolarHBondContact O-N 3.3Å; A272-L275 WeakPolarHBondContact O-CB 3.33Å; A272-L275 PolarHBondContact O-N 3.45Å; R273-L275 VanDerWaalsContact C-N 3.33Å; L275-L277 PolarHBondContact O-N 2.82Å; L275-A278 PolarHBondContact O-N 2.93Å; L275-S279 CarbonylContact O-C 3.59Å; L275-S279 VanDerWaalsContact O-C 3.3Å; L275-S279 PolarHBondContact O-N 3.49Å; L275-I281 HydrophobicContact CD1-CD1 4.17Å; L275-I281 HydrophobicContact CD2-CD1 3.82Å; L275-I281 HydrophobicContact CD2-CG1 4.03Å; L275-I281 HydrophobicContact CG-CD1 4.49Å; L275-L300 HydrophobicContact CD1-CD1 4.43Å; L275-I304 HydrophobicContact CD1-CD1 3.74Å; L275-I304 HydrophobicContact CD1-CG1 3.81Å; L275-L456 HydrophobicContact CD1-CD2 3.84Å; L275-L456 HydrophobicContact CG-CD2 4.09Å
276D98Very high96.9Very high0 Ų018.6 Ų18.60%010%0.098CC..Hα-helixtrans-61.1-28.1177.7-96.2-40.7000113.6R257 R259 M260 E261 A272 R273 V274R257-D276 IonicContact CZ-OD1 2.67Å; R257-D276 IonicContact NE-OD1 3.89Å; R257-D276 PolarHBondContact NE-OD1 2.8Å; R257-D276 VanDerWaalsContact NH2-CG 3.28Å; R257-D276 PolarHBondContact NH2-O 3.29Å; R257-D276 VanDerWaalsContact NH2-O 3.14Å; R257-D276 IonicContact NH2-OD1 3.7Å; R257-D276 PolarHBondContact NH2-OD1 3.25Å; R259-D276 WeakPolarHBondContact CG-OD2 3.27Å; M260-D276 WeakPolarHBondContact CA-OD2 3.33Å; M260-D276 PolarHBondContact N-OD2 2.94Å; E261-D276 WeakPolarHBondContact CB-OD2 3.29Å; E261-D276 PolarHBondContact N-OD2 3.44Å; A272-D276 PolarHBondContact O-N 2.84Å; R273-D276 PolarHBondContact O-N 2.86Å; V274-D276 PolarHBondContact O-N 2.81Å
277L97.5Very high97.1Very high3 Ų317 Ų172%0.0169%0.087CC..Hα-helixtrans-87.9-34177.6-63.8174.8000113R273 V274 L275 Y473 M493 L496 L516 N522 F525 F526R273-L277 WeakPolarHBondContact O-CG 3.46Å; R273-L277 PolarHBondContact O-N 3.06Å; V274-L277 PolarHBondContact O-N 3.46Å; L275-L277 PolarHBondContact O-N 2.82Å; L277-Y473 HydrophobicContact CB-CE2 4.35Å; L277-Y473 PolarHBondContact O-OH 2.89Å; L277-Y473 VanDerWaalsContact O-OH 3.05Å; L277-M493 HydrophobicContact CD2-CG 4.35Å; L277-L496 HydrophobicContact CD1-CD2 4.25Å; L277-L516 HydrophobicContact CD1-CD1 4.4Å; L277-L516 HydrophobicContact CD1-CD2 4Å; L277-N522 HydrophobicContact CD2-CB 4.49Å; L277-F525 HydrophobicContact CD1-CD1 4.47Å; L277-F525 HydrophobicContact CD1-CE1 4.26Å; L277-F526 HydrophobicContact CD2-CE1 3.88Å; L277-F526 HydrophobicContact CD2-CE2 3.86Å; L277-F526 HydrophobicContact CD2-CZ 3.21Å
278A97.6Very high97.4Very high4 Ų411.9 Ų11.93%0.0336%0.056CC..Hα-helixtrans-86.9-39.5-174.600000112.9V274 L275 Y473 G477V274-A278 VanDerWaalsContact O-CB 3.29Å; V274-A278 WeakPolarHBondContact O-CB 3.49Å; V274-A278 PolarHBondContact O-N 3.28Å; L275-A278 PolarHBondContact O-N 2.93Å; A278-Y473 HydrophobicContact CB-CD2 3.79Å; A278-Y473 HydrophobicContact CB-CE2 3.72Å; A278-G477 WeakPolarHBondContact O-CA 3.45Å
279S97.5Very high97.7Very high0 Ų07.2 Ų7.20%03%0.034CC..SBendtrans-157.579-172.158.90000110.7L275 T478L275-S279 CarbonylContact O-C 3.59Å; L275-S279 VanDerWaalsContact O-C 3.3Å; L275-S279 PolarHBondContact O-N 3.49Å; S279-T478 VanDerWaalsContact C-OG1 3.27Å; S279-T478 WeakPolarHBondContact CA-OG1 3.47Å
280P97.9Very high97.8Very high0 Ų07.1 Ų7.10%03%0.034CC..  trans-52.8141.1179.7-24.631.6000112.5T478 L484 T485 M493P280-T478 WeakPolarHBondContact O-CB 3.48Å; P280-T478 WeakPolarHBondContact O-CG2 3.3Å; P280-T478 PolarHBondContact O-OG1 3.32Å; P280-L484 HydrophobicContact CB-CB 4.32Å; P280-L484 HydrophobicContact CB-CD1 4.23Å; P280-T485 HydrophobicContact CB-CG2 4.35Å; P280-T485 HydrophobicContact CG-CG2 3.89Å; P280-M493 HydrophobicContact CG-SD 4.4Å
281I98.6Very high97.8Very high1 Ų15.7 Ų5.71%0.0053%0.026CC..  trans-109.6134178.1-63.7177.4000109.2L258 M260 L275 Q285 T427 I429 M454L258-I281 HydrophobicContact CB-CG2 4.42Å; L258-I281 HydrophobicContact CD1-CG2 4.32Å; L258-I281 PolarHBondContact N-O 3.35Å; M260-I281 HydrophobicContact CE-CB 3.91Å; M260-I281 HydrophobicContact CE-CD1 3.97Å; M260-I281 HydrophobicContact CE-CG1 4.49Å; M260-I281 HydrophobicContact CE-CG2 3.89Å; L275-I281 HydrophobicContact CD1-CD1 4.17Å; L275-I281 HydrophobicContact CD2-CD1 3.82Å; L275-I281 HydrophobicContact CD2-CG1 4.03Å; L275-I281 HydrophobicContact CG-CD1 4.49Å; I281-Q285 HydrophobicContact CG2-CB 3.93Å; I281-Q285 HydrophobicContact CG2-CG 4.28Å; I281-T427 HydrophobicContact CG2-CG2 4.38Å; I281-I429 HydrophobicContact CD1-CD1 3.95Å; I281-I429 HydrophobicContact CD1-CG1 4.32Å; I281-I429 HydrophobicContact CG1-CD1 4.41Å; I281-I429 HydrophobicContact CG2-CD1 4.17Å; I281-M454 HydrophobicContact CD1-CE 3.74Å; I281-M454 HydrophobicContact CG1-CE 3.72Å
282G98.2Very high97.8Very high0 Ų04.7 Ų4.70%02%0.02CC..BIsolated β-bridgetrans-118.4172.4172.400000114.1S256 G284 Q285S256-G282 CarbonylContact O-C 3.52Å; S256-G282 WeakPolarHBondContact O-CA 3.38Å; G282-G284 PolarHBondContact O-N 3.2Å; G282-Q285 WeakPolarHBondContact O-CB 3.4Å; G282-Q285 PolarHBondContact O-N 3.41Å
283R98.5Very high97.5Very high27 Ų277.4 Ų7.410%0.1024%0.037CC..THydrogen-bonded Turntrans-62.3119.9170.2-68.9-173.2-169.3-112.2-7.1109.1A254 S256 L258 D314 C315 D372 N419 S425A254-R283 WeakPolarHBondContact CA-O 3.44Å; A254-R283 VanDerWaalsContact CB-O 3.23Å; A254-R283 WeakPolarHBondContact CB-O 3.37Å; S256-R283 PolarHBondContact O-N 3.3Å; L258-R283 HydrophobicContact CD1-CG 4.27Å; L258-R283 HydrophobicContact CD2-CG 3.82Å; L258-R283 HydrophobicContact CG-CG 3.91Å; R283-D314 IonicContact CZ-OD2 3.57Å; R283-D314 VanDerWaalsContact CZ-OD2 3.31Å; R283-D314 IonicContact NH1-OD2 2.68Å; R283-D314 PolarHBondContact NH1-OD2 2.87Å; R283-D314 IonicContact NH2-OD1 3.46Å; R283-D314 IonicContact NH2-OD2 3.71Å; R283-D314 PolarHBondContact NH2-OD2 3.21Å; R283-C315 PolarHBondContact NH1-SG 3.02Å; R283-D372 IonicContact CZ-OD2 2.85Å; R283-D372 IonicContact NH1-OD2 3.53Å; R283-D372 PolarHBondContact NH1-OD2 2.86Å; R283-N419 WeakPolarHBondContact O-CB 3.38Å; R283-S425 WeakPolarHBondContact CB-OG 3.25Å
284G97.9Very high97.2Very high2 Ų217 Ų172%0.0218%0.079CC..THydrogen-bonded Turntrans89.710.9-174.200000115.2G282 R418 S425 L426 T427G282-G284 PolarHBondContact O-N 3.2Å; G284-R418 WeakPolarHBondContact CA-O 3.35Å; G284-S425 PolarHBondContact N-OG 2.78Å; G284-L426 WeakPolarHBondContact CA-O 3.2Å; G284-T427 PolarHBondContact N-OG1 2.86Å
285Q98.3Very high96.9Very high3 Ų317 Ų171%0.0148%0.08CC..  trans-65143.7178.9-161.968.941.100111.5I281 G282 T427 I428 I429 N453 M454I281-Q285 HydrophobicContact CG2-CB 3.93Å; I281-Q285 HydrophobicContact CG2-CG 4.28Å; G282-Q285 WeakPolarHBondContact O-CB 3.4Å; G282-Q285 PolarHBondContact O-N 3.41Å; Q285-T427 HydrophobicContact CB-CG2 3.95Å; Q285-T427 CarbonylContact O-C 3.48Å; Q285-T427 WeakPolarHBondContact O-CA 3.38Å; Q285-I428 PolarHBondContact O-N 3.04Å; Q285-I429 HydrophobicContact CB-CD1 4.43Å; Q285-I429 HydrophobicContact CG-CD1 4.42Å; Q285-N453 VanDerWaalsContact NE2-CG 3.28Å; Q285-N453 PolarHBondContact NE2-O 3.48Å; Q285-N453 PolarHBondContact NE2-OD1 3.3Å; Q285-M454 HydrophobicContact CG-CB 3.96Å; Q285-M454 VanDerWaalsContact NE2-CB 3.3Å
286R97.9Very high96.7Very high50 Ų5018 Ų1819%0.1899%0.09CC..EExtended strand (participates in β ladder)trans-118.981.4174.7-171.8169.158-100.6-3.7109.1F414 A417 T451 G452 N453 M454R286-F414 HydrophobicContact CB-CZ 4.39Å; R286-F414 WeakPolarHBondContact CD-O 3.5Å; R286-F414 HydrophobicContact CG-CD1 3.82Å; R286-F414 HydrophobicContact CG-CD2 3.88Å; R286-F414 HydrophobicContact CG-CE1 3.5Å; R286-F414 HydrophobicContact CG-CE2 3.55Å; R286-F414 HydrophobicContact CG-CG 4Å; R286-F414 HydrophobicContact CG-CZ 3.34Å; R286-F414 WeakPolarHBondContact CG-O 2.97Å; R286-A417 HydrophobicContact CB-CB 3.79Å; R286-A417 HydrophobicContact CG-CB 3.9Å; R286-A417 PolarHBondContact NH1-O 3.06Å; R286-T451 PolarHBondContact NE-O 3.03Å; R286-T451 PolarHBondContact NH2-O 3.42Å; R286-G452 WeakPolarHBondContact O-CA 3.47Å; R286-N453 WeakPolarHBondContact CA-OD1 3.38Å; R286-N453 WeakPolarHBondContact CB-OD1 3.37Å; R286-N453 PolarHBondContact N-OD1 2.83Å; R286-N453 PolarHBondContact O-N 2.81Å; R286-N453 PolarHBondContact O-OD1 3.41Å; R286-M454 PolarHBondContact O-N 2.87Å
287G97.8Very high96.4Very high0 Ų019.1 Ų19.10%010%0.095CC..EExtended strand (participates in β ladder)trans-103144-168.600000114I428 A430 M454G287-I428 PolarHBondContact N-O 3.23Å; G287-A430 PolarHBondContact O-N 3.1Å; G287-M454 CarbonylContact C-O 3.59Å; G287-M454 WeakPolarHBondContact CA-O 3.38Å; G287-M454 VanDerWaalsContact CA-SD 3.52Å
288L97.7Very high96Very high0 Ų020.3 Ų20.30%010%0.102CC..EExtended strand (participates in β ladder)trans-116.8123.5171.8-67.1175.2000110.7V290 I380 F414 A430 A432 F448 M454 E455 L456L288-V290 HydrophobicContact CB-CG2 4.05Å; L288-V290 PolarHBondContact O-N 3.09Å; L288-I380 HydrophobicContact CD2-CD1 4.24Å; L288-I380 HydrophobicContact CD2-CG2 4.1Å; L288-F414 HydrophobicContact CD1-CE1 4.19Å; L288-F414 HydrophobicContact CD1-CZ 4.37Å; L288-F414 HydrophobicContact CD2-CE1 3.86Å; L288-F414 HydrophobicContact CD2-CE2 3.93Å; L288-F414 HydrophobicContact CD2-CZ 3.45Å; L288-F414 VanDerWaalsContact CD2-CZ 3.45Å; L288-F414 HydrophobicContact CG-CE1 3.9Å; L288-F414 HydrophobicContact CG-CE2 4.48Å; L288-F414 HydrophobicContact CG-CZ 3.58Å; L288-A430 CarbonylContact C-O 3.58Å; L288-A430 VanDerWaalsContact CA-O 3.31Å; L288-A430 WeakPolarHBondContact CA-O 3.45Å; L288-A430 HydrophobicContact CD2-CB 4.28Å; L288-A432 HydrophobicContact CD2-CB 4.47Å; L288-F448 HydrophobicContact CD1-CB 3.82Å; L288-M454 PolarHBondContact N-O 2.8Å; L288-E455 CarbonylContact O-C 3.6Å; L288-E455 WeakPolarHBondContact O-CA 3.23Å; L288-L456 PolarHBondContact O-N 2.67Å
289I98.1Very high95.7Very high0 Ų026.1 Ų26.10%013%0.13CC..EExtended strand (participates in β ladder)trans-88.2101.7165.4-60.5172.1000107.2L300 L301 I304 I429 A430 T431 A432 L456 L458I289-L300 HydrophobicContact CD1-CD2 3.88Å; I289-L300 HydrophobicContact CD1-CG 4.15Å; I289-L300 HydrophobicContact CG1-CD2 4.23Å; I289-L300 HydrophobicContact CG2-CD2 3.62Å; I289-L301 HydrophobicContact CD1-CD1 4.05Å; I289-I304 HydrophobicContact CD1-CD1 3.78Å; I289-I429 HydrophobicContact CD1-CG2 3.79Å; I289-I429 HydrophobicContact CG1-CG2 3.99Å; I289-A430 PolarHBondContact N-O 3.16Å; I289-T431 HydrophobicContact CB-CG2 4.3Å; I289-T431 CarbonylContact O-C 3.57Å; I289-T431 WeakPolarHBondContact O-CA 3.45Å; I289-A432 PolarHBondContact O-N 3.05Å; I289-L456 CarbonylContact C-O 3.3Å; I289-L456 WeakPolarHBondContact CA-O 3.29Å; I289-L456 HydrophobicContact CG1-CB 4.48Å; I289-L456 HydrophobicContact CG1-CD2 4.49Å; I289-L458 HydrophobicContact CG2-CD1 4.17Å; I289-L458 HydrophobicContact CG2-CG 4.36Å
290V97.7Very high95.6Very high0 Ų026.4 Ų26.40%013%0.132CC..EExtended strand (participates in β ladder)trans-92.5107.4-173.5-170.60000108.9L288 I434 Y445 L456 H457 L458L288-V290 HydrophobicContact CB-CG2 4.05Å; L288-V290 PolarHBondContact O-N 3.09Å; V290-I434 HydrophobicContact CG1-CB 4.37Å; V290-I434 HydrophobicContact CG1-CD1 3.8Å; V290-I434 HydrophobicContact CG1-CG1 3.97Å; V290-I434 HydrophobicContact CG1-CG2 3.49Å; V290-I434 VanDerWaalsContact CG1-CG2 3.49Å; V290-Y445 HydrophobicContact CB-CE2 4.17Å; V290-Y445 HydrophobicContact CG1-CD2 3.89Å; V290-Y445 HydrophobicContact CG1-CE2 3.51Å; V290-Y445 HydrophobicContact CG2-CD2 4.22Å; V290-Y445 HydrophobicContact CG2-CE2 3.51Å; V290-L456 PolarHBondContact N-O 2.79Å; V290-H457 CarbonylContact O-C 3.57Å; V290-H457 WeakPolarHBondContact O-CA 3.4Å; V290-L458 PolarHBondContact O-N 2.97Å
291A96.7Very high95.5Very high0 Ų026.5 Ų26.50%013%0.132CC..EExtended strand (participates in β ladder)trans-139.2134.4-167.900000112.5A295 K297 A432 L433 I434 L458A291-A295 HydrophobicContact CB-CB 4.34Å; A291-K297 HydrophobicContact CB-CB 4.02Å; A291-A432 PolarHBondContact N-O 3.45Å; A291-L433 WeakPolarHBondContact O-CA 3.4Å; A291-I434 PolarHBondContact O-N 2.83Å; A291-L458 HydrophobicContact CB-CB 3.94Å; A291-L458 HydrophobicContact CB-CD1 3.85Å; A291-L458 HydrophobicContact CB-CG 4.12Å
292P95.8Very high95.3Very high2 Ų227.3 Ų27.31%0.01314%0.136CC..  trans-63.3159.3162-20.932.8000111.9K294 A295 I434 D435 L458 R460P292-K294 PolarHBondContact O-N 3.33Å; P292-A295 VanDerWaalsContact O-CB 3.27Å; P292-A295 WeakPolarHBondContact O-CB 3.47Å; P292-A295 PolarHBondContact O-N 3.36Å; P292-I434 WeakPolarHBondContact CA-O 3.32Å; P292-I434 HydrophobicContact CG-CD1 4.21Å; P292-I434 HydrophobicContact CG-CG1 4.04Å; P292-D435 HydrophobicContact CB-CB 4.31Å; P292-D435 HydrophobicContact CG-CB 4.41Å; P292-L458 WeakPolarHBondContact CD-O 3.16Å; P292-R460 HydrophobicContact CB-CB 4.24Å; P292-R460 HydrophobicContact CG-CB 4.19Å
293P93.2Very high95.1Very high57 Ų5727.9 Ų27.937%0.3714%0.139SC..THydrogen-bonded Turntrans-51.7141.4168.1-26.334.1000111.7A295 I434 T436P293-A295 PolarHBondContact O-N 3.43Å; P293-I434 WeakPolarHBondContact CD-O 3.41Å; P293-T436 HydrophobicContact CG-CG2 4.22Å
294K90.8Very high95.1Very high207 Ų20726.7 Ų26.790%0.914%0.135SC*.THydrogen-bonded Turntrans63.115.3-179.6-56.9-179176.4179.30116.1P292 G296P292-K294 PolarHBondContact O-N 3.33Å; K294-G296 VanDerWaalsContact C-N 3.3Å; K294-G296 PolarHBondContact O-N 3.19Å
295A92Very high95Very high1 Ų126.6 Ų26.61%0.00813%0.134CC..SBendtrans-81.3-0.2177.300000115A291 P292 P293 L458A291-A295 HydrophobicContact CB-CB 4.34Å; P292-A295 VanDerWaalsContact O-CB 3.27Å; P292-A295 WeakPolarHBondContact O-CB 3.47Å; P292-A295 PolarHBondContact O-N 3.36Å; P293-A295 PolarHBondContact O-N 3.43Å; A295-L458 HydrophobicContact CB-CB 3.88Å; A295-L458 HydrophobicContact CB-CD1 4.44Å
296G92.2Very high94.8Very high21 Ų2129.5 Ų29.522%0.21615%0.147CC..SBendtrans9618.9179.800000115.5K294 T298 M299 L300K294-G296 VanDerWaalsContact C-N 3.3Å; K294-G296 PolarHBondContact O-N 3.19Å; G296-T298 VanDerWaalsContact C-N 3.34Å; G296-T298 PolarHBondContact O-N 2.97Å; G296-M299 PolarHBondContact O-N 3.4Å; G296-L300 PolarHBondContact O-N 3.26Å; G296-L300 VanDerWaalsContact O-N 3.08Å
297K93.5Very high94.8Very high23 Ų2327.1 Ų27.110%0.114%0.138CC..Hα-helixtrans-54.3-43.6-178.979.5-166.5-152.7-40.20113.7A291 L300 L301 E324 D378 T431 L433A291-K297 HydrophobicContact CB-CB 4.02Å; K297-L300 PolarHBondContact O-N 2.95Å; K297-L301 PolarHBondContact O-N 3.01Å; K297-E324 IonicContact NZ-OE2 3.73Å; K297-E324 PolarHBondContact NZ-OE2 2.86Å; K297-D378 VanDerWaalsContact CE-OD1 3.29Å; K297-D378 WeakPolarHBondContact CE-OD1 3.43Å; K297-D378 IonicContact NZ-OD1 3.72Å; K297-D378 IonicContact NZ-OD2 2.81Å; K297-D378 PolarHBondContact NZ-OD2 3.08Å; K297-T431 HydrophobicContact CB-CG2 4.27Å; K297-L433 HydrophobicContact CD-CD2 4.17Å
298T88.5Confident94.8Very high29 Ų2927.2 Ų27.218%0.17814%0.139CC..Hα-helixtrans-67.4-45.7-176.7-49.60000110.8G296 L300 L301 Q302G296-T298 VanDerWaalsContact C-N 3.34Å; G296-T298 PolarHBondContact O-N 2.97Å; T298-L300 VanDerWaalsContact C-N 3.32Å; T298-L300 PolarHBondContact O-N 3.4Å; T298-L301 PolarHBondContact O-N 3Å; T298-Q302 WeakPolarHBondContact O-CG 3.38Å; T298-Q302 PolarHBondContact O-N 3.35Å
299M91.6Very high94.6Very high125 Ų12528.7 Ų28.762%0.61615%0.151SC*.Hα-helixtrans-61.4-40.2175.9-70-178.169.900112G296 Q302 N303G296-M299 PolarHBondContact O-N 3.4Å; M299-Q302 PolarHBondContact O-N 2.89Å; M299-N303 WeakPolarHBondContact O-CB 3.19Å; M299-N303 PolarHBondContact O-N 3.42Å
300L95.4Very high94.5Very high7 Ų735.9 Ų35.94%0.03718%0.179CC..Hα-helixtrans-63-43.6175.8178.664.4000111.5T271 L275 I289 G296 K297 T298 N303 I304 L456 L458T271-L300 HydrophobicContact CG2-CD1 3.28Å; L275-L300 HydrophobicContact CD1-CD1 4.43Å; I289-L300 HydrophobicContact CD1-CD2 3.88Å; I289-L300 HydrophobicContact CD1-CG 4.15Å; I289-L300 HydrophobicContact CG1-CD2 4.23Å; I289-L300 HydrophobicContact CG2-CD2 3.62Å; G296-L300 PolarHBondContact O-N 3.26Å; G296-L300 VanDerWaalsContact O-N 3.08Å; K297-L300 PolarHBondContact O-N 2.95Å; T298-L300 VanDerWaalsContact C-N 3.32Å; T298-L300 PolarHBondContact O-N 3.4Å; L300-N303 WeakPolarHBondContact O-CB 3.48Å; L300-N303 PolarHBondContact O-N 3.31Å; L300-I304 HydrophobicContact CD1-CD1 4.48Å; L300-I304 HydrophobicContact CG-CD1 4.25Å; L300-I304 WeakPolarHBondContact O-CG1 3.45Å; L300-I304 PolarHBondContact O-N 3.38Å; L300-L456 HydrophobicContact CD1-CD2 4.39Å; L300-L456 HydrophobicContact CD2-CD2 3.69Å; L300-L456 HydrophobicContact CD2-CG 4.42Å; L300-L458 HydrophobicContact CD2-CD1 4.06Å; L300-L458 HydrophobicContact CD2-CD2 4.11Å; L300-L458 HydrophobicContact CD2-CG 4.43Å
301L94.8Very high94.5Very high1 Ų138.1 Ų38.11%0.00519%0.191CC..Hα-helixtrans-65.9-41.6178.9-157.971.4000112I289 K297 T298 N303 I304 A305 L376 D378I289-L301 HydrophobicContact CD1-CD1 4.05Å; K297-L301 PolarHBondContact O-N 3.01Å; T298-L301 PolarHBondContact O-N 3Å; L301-N303 VanDerWaalsContact C-N 3.31Å; L301-N303 PolarHBondContact O-N 3.07Å; L301-I304 PolarHBondContact O-N 2.75Å; L301-A305 WeakPolarHBondContact O-CB 3.47Å; L301-A305 PolarHBondContact O-N 3.48Å; L301-L376 HydrophobicContact CD1-CB 3.96Å; L301-L376 HydrophobicContact CD1-CD1 4.42Å; L301-L376 HydrophobicContact CD1-CD2 4.17Å; L301-L376 HydrophobicContact CD1-CG 4.41Å; L301-L376 HydrophobicContact CD2-CB 4.2Å; L301-L376 HydrophobicContact CG-CB 4.06Å; L301-L376 HydrophobicContact CG-CD1 4.28Å; L301-D378 HydrophobicContact CD2-CB 3.93Å
302Q94Very high94.5Very high18 Ų1839.3 Ų39.38%0.08420%0.196CC..Hα-helixtrans-59.4-42.3172.3-71.3171.5-10.600111.4T298 M299 A305 Q306 E331 M332 L335T298-Q302 WeakPolarHBondContact O-CG 3.38Å; T298-Q302 PolarHBondContact O-N 3.35Å; M299-Q302 PolarHBondContact O-N 2.89Å; Q302-A305 WeakPolarHBondContact O-CB 3.22Å; Q302-A305 PolarHBondContact O-N 2.98Å; Q302-Q306 WeakPolarHBondContact O-CG 3.41Å; Q302-Q306 PolarHBondContact O-N 2.93Å; Q302-E331 PolarHBondContact NE2-OE1 3.33Å; Q302-M332 HydrophobicContact CG-CE 3.67Å; Q302-M332 HydrophobicContact CG-SD 3.95Å; Q302-L335 HydrophobicContact CB-CD1 4.22Å; Q302-L335 HydrophobicContact CB-CD2 3.96Å; Q302-L335 HydrophobicContact CG-CD1 4.13Å; Q302-L335 HydrophobicContact CG-CD2 4.2Å
303N95.7Very high94.4Very high12 Ų1244.1 Ų44.16%0.06423%0.228CC..Hα-helixtrans-64.3-42178.1-166.1-74.9000112.1E268 T271 M299 L300 L301 Q306 S307E268-N303 PolarHBondContact O-ND2 2.97Å; T271-N303 HydrophobicContact CG2-CB 4.22Å; M299-N303 WeakPolarHBondContact O-CB 3.19Å; M299-N303 PolarHBondContact O-N 3.42Å; L300-N303 WeakPolarHBondContact O-CB 3.48Å; L300-N303 PolarHBondContact O-N 3.31Å; L301-N303 VanDerWaalsContact C-N 3.31Å; L301-N303 PolarHBondContact O-N 3.07Å; N303-Q306 PolarHBondContact O-N 3.15Å; N303-S307 VanDerWaalsContact O-CB 3.28Å; N303-S307 WeakPolarHBondContact O-CB 3.47Å; N303-S307 PolarHBondContact O-N 3.48Å; N303-S307 PolarHBondContact O-OG 3Å
304I97.1Very high94.5Very high2 Ų245.7 Ų45.71%0.0123%0.233CC..Hα-helixtrans-60.6-46.4173.1-69.9167.6000110.2M260 L275 I289 L300 L301 Q306 S307 I308 L376 I429M260-I304 HydrophobicContact CE-CG2 4.49Å; M260-I304 HydrophobicContact SD-CG2 4.4Å; L275-I304 HydrophobicContact CD1-CD1 3.74Å; L275-I304 HydrophobicContact CD1-CG1 3.81Å; I289-I304 HydrophobicContact CD1-CD1 3.78Å; L300-I304 HydrophobicContact CD1-CD1 4.48Å; L300-I304 HydrophobicContact CG-CD1 4.25Å; L300-I304 WeakPolarHBondContact O-CG1 3.45Å; L300-I304 PolarHBondContact O-N 3.38Å; L301-I304 PolarHBondContact O-N 2.75Å; I304-Q306 PolarHBondContact O-N 3.28Å; I304-S307 PolarHBondContact O-N 3.2Å; I304-I308 HydrophobicContact CG2-CD1 3.6Å; I304-I308 HydrophobicContact CG2-CG1 4.37Å; I304-I308 WeakPolarHBondContact O-CB 3.48Å; I304-I308 VanDerWaalsContact O-CG1 3.31Å; I304-I308 WeakPolarHBondContact O-CG1 3.47Å; I304-I308 PolarHBondContact O-N 3.47Å; I304-L376 HydrophobicContact CG2-CD1 4.29Å; I304-L376 HydrophobicContact CG2-CD2 3.89Å; I304-I429 HydrophobicContact CD1-CG2 4.34Å
305A96.2Very high94.8Very high0 Ų036.4 Ų36.40%019%0.194CC..Hα-helixtrans-59.4-46.9179.200000112.4L301 Q302 I308 A309 L317 V336 L376L301-A305 WeakPolarHBondContact O-CB 3.47Å; L301-A305 PolarHBondContact O-N 3.48Å; Q302-A305 WeakPolarHBondContact O-CB 3.22Å; Q302-A305 PolarHBondContact O-N 2.98Å; A305-I308 PolarHBondContact O-N 3.1Å; A305-A309 WeakPolarHBondContact O-CB 3.41Å; A305-A309 PolarHBondContact O-N 3.38Å; A305-L317 HydrophobicContact CB-CD2 4.14Å; A305-V336 HydrophobicContact CB-CB 4.45Å; A305-V336 HydrophobicContact CB-CG1 4.03Å; A305-V336 HydrophobicContact CB-CG2 3.57Å; A305-L376 HydrophobicContact CB-CD1 3.58Å
306Q95.1Very high95Very high64 Ų6438.4 Ų38.430%0.29921%0.206SC..Hα-helixtrans-63.8-42.1177.1-72177.9-11.300112.2Q302 N303 I304 A309 Y310 L335Q302-Q306 WeakPolarHBondContact O-CG 3.41Å; Q302-Q306 PolarHBondContact O-N 2.93Å; N303-Q306 PolarHBondContact O-N 3.15Å; I304-Q306 PolarHBondContact O-N 3.28Å; Q306-A309 PolarHBondContact O-N 3.15Å; Q306-Y310 WeakPolarHBondContact O-CB 3.48Å; Q306-Y310 PolarHBondContact O-N 3.47Å; Q306-L335 HydrophobicContact CG-CD2 3.69Å
307S96.8Very high95.3Very high0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-64.8-43.1179.2-63.30000111.7M260 N303 I304 Y310 N311M260-S307 VanDerWaalsContact O-CB 3.23Å; M260-S307 WeakPolarHBondContact O-CB 3.39Å; M260-S307 PolarHBondContact O-OG 3.15Å; N303-S307 VanDerWaalsContact O-CB 3.28Å; N303-S307 WeakPolarHBondContact O-CB 3.47Å; N303-S307 PolarHBondContact O-N 3.48Å; N303-S307 PolarHBondContact O-OG 3Å; I304-S307 PolarHBondContact O-N 3.2Å; S307-Y310 PolarHBondContact O-N 3.37Å; S307-N311 VanDerWaalsContact O-CB 3.31Å; S307-N311 WeakPolarHBondContact O-CB 3.27Å; S307-N311 PolarHBondContact O-N 3.43Å
308I97.2Very high95.5Very high2 Ų236.9 Ų36.91%0.0119%0.194CC..Hα-helixtrans-61.5-50.8173.6-71.7165.3000110.8M260 I304 A305 Y310 N311 H312 C315 L317 I374M260-I308 HydrophobicContact CE-CD1 4.2Å; M260-I308 HydrophobicContact CE-CG1 3.91Å; M260-I308 HydrophobicContact SD-CG1 3.93Å; I304-I308 HydrophobicContact CG2-CD1 3.6Å; I304-I308 HydrophobicContact CG2-CG1 4.37Å; I304-I308 WeakPolarHBondContact O-CB 3.48Å; I304-I308 VanDerWaalsContact O-CG1 3.31Å; I304-I308 WeakPolarHBondContact O-CG1 3.47Å; I304-I308 PolarHBondContact O-N 3.47Å; A305-I308 PolarHBondContact O-N 3.1Å; I308-Y310 PolarHBondContact O-N 3.4Å; I308-N311 PolarHBondContact O-N 3.4Å; I308-H312 CarbonylContact O-C 3.57Å; I308-H312 VanDerWaalsContact O-C 3.27Å; I308-H312 WeakPolarHBondContact O-CA 3.37Å; I308-H312 PolarHBondContact O-N 2.97Å; I308-C315 HydrophobicContact CG2-CB 4.33Å; I308-L317 HydrophobicContact CD1-CD1 4.38Å; I308-L317 HydrophobicContact CG2-CD1 4.35Å; I308-L317 HydrophobicContact CG2-CD2 4.47Å; I308-I374 HydrophobicContact CD1-CD1 3.8Å; I308-I374 HydrophobicContact CD1-CG2 3.91Å; I308-I374 HydrophobicContact CG1-CD1 4.14Å; I308-I374 HydrophobicContact CG2-CD1 3.69Å
309A94.8Very high95.9Very high31 Ų3135.5 Ų35.526%0.25619%0.186SC..Hα-helixtrans-62.9-28.1-177.300000113A305 Q306 L317 K337A305-A309 WeakPolarHBondContact O-CB 3.41Å; A305-A309 PolarHBondContact O-N 3.38Å; Q306-A309 PolarHBondContact O-N 3.15Å; A309-L317 HydrophobicContact CB-CD2 4.44Å; A309-K337 HydrophobicContact CB-CB 4.23Å
310Y95.4Very high96.2Very high152 Ų15229.6 Ų29.660%0.59616%0.156SC*.Hα-helixtrans-84.7-48.7177.6-179.4-92.6000112.7R262 Q306 S307 I308R262-Y310 HydrophobicContact CB-CD1 4.03Å; R262-Y310 HydrophobicContact CB-CE1 4.06Å; R262-Y310 HydrophobicContact CG-CD1 3.72Å; R262-Y310 HydrophobicContact CG-CE1 4.27Å; R262-Y310 HydrophobicContact CG-CG 4.4Å; Q306-Y310 WeakPolarHBondContact O-CB 3.48Å; Q306-Y310 PolarHBondContact O-N 3.47Å; S307-Y310 PolarHBondContact O-N 3.37Å; I308-Y310 PolarHBondContact O-N 3.4Å
311N97.1Very high96.2Very high47 Ų4729.4 Ų29.425%0.25116%0.156SC..Hα-helixtrans-83.5-31.8-174.6-73.2-15.9000113.6R259 M260 E261 S307 I308 P313R259-N311 PolarHBondContact O-ND2 3.33Å; M260-N311 PolarHBondContact O-ND2 3.14Å; E261-N311 PolarHBondContact O-ND2 3.32Å; S307-N311 VanDerWaalsContact O-CB 3.31Å; S307-N311 WeakPolarHBondContact O-CB 3.27Å; S307-N311 PolarHBondContact O-N 3.43Å; I308-N311 PolarHBondContact O-N 3.4Å; N311-P313 VanDerWaalsContact C-CD 3.5Å
312H96.9Very high96.3Very high24 Ų2429.4 Ų29.411%0.11116%0.155CC..  trans-132.761.4-171.7-51.8-82.9000111.1L258 R259 I308 D314 C315L258-H312 HydrophobicContact CD2-CB 4.18Å; R259-H312 PolarHBondContact N-NE2 3.38Å; R259-H312 PolarHBondContact O-NE2 3.26Å; I308-H312 CarbonylContact O-C 3.57Å; I308-H312 VanDerWaalsContact O-C 3.27Å; I308-H312 WeakPolarHBondContact O-CA 3.37Å; I308-H312 PolarHBondContact O-N 2.97Å; H312-D314 VanDerWaalsContact C-OD1 3.23Å; H312-D314 WeakPolarHBondContact CA-OD1 3.34Å; H312-D314 PolarHBondContact O-N 3.47Å; H312-D314 VanDerWaalsContact O-N 3.1Å; H312-C315 HydrophobicContact CB-CB 4.4Å; H312-C315 WeakPolarHBondContact O-CB 3.36Å; H312-C315 PolarHBondContact O-N 2.7Å
313P94.8Very high96.4Very high103 Ų10330.3 Ų30.367%0.66916%0.161SC*.THydrogen-bonded Turntrans-65.1-12.5-177.729.2-36.9000113.6N311 C315N311-P313 VanDerWaalsContact C-CD 3.5Å; P313-C315 VanDerWaalsContact C-N 3.31Å
314D94.4Very high96.2Very high90 Ų9029.9 Ų29.948%0.48116%0.159SC..THydrogen-bonded Turntrans-72.4-22.5172.262.2-61.4000113.3R283 H312R283-D314 IonicContact CZ-OD2 3.57Å; R283-D314 VanDerWaalsContact CZ-OD2 3.31Å; R283-D314 IonicContact NH1-OD2 2.68Å; R283-D314 PolarHBondContact NH1-OD2 2.87Å; R283-D314 IonicContact NH2-OD1 3.46Å; R283-D314 IonicContact NH2-OD2 3.71Å; R283-D314 PolarHBondContact NH2-OD2 3.21Å; H312-D314 VanDerWaalsContact C-OD1 3.23Å; H312-D314 WeakPolarHBondContact CA-OD1 3.34Å; H312-D314 PolarHBondContact O-N 3.47Å; H312-D314 VanDerWaalsContact O-N 3.1Å
315C97.4Very high96Very high12 Ų1234.9 Ų34.98%0.08118%0.177CC..SBendtrans-76.7132.9178.9-670000111.1R283 I308 H312 P313 L317 D372 I374R283-C315 PolarHBondContact NH1-SG 3.02Å; I308-C315 HydrophobicContact CG2-CB 4.33Å; H312-C315 HydrophobicContact CB-CB 4.4Å; H312-C315 WeakPolarHBondContact O-CB 3.36Å; H312-C315 PolarHBondContact O-N 2.7Å; P313-C315 VanDerWaalsContact C-N 3.31Å; C315-L317 PolarHBondContact O-N 3.41Å; C315-L317 VanDerWaalsContact O-N 3.15Å; C315-D372 CarbonylContact C-O 3.48Å; C315-D372 WeakPolarHBondContact CA-O 3.35Å; C315-I374 HydrophobicContact CB-CD1 3.74Å; C315-I374 HydrophobicContact CB-CG1 4.24Å
316V97Very high95.9Very high44 Ų4437 Ų3727%0.26719%0.191SC..EExtended strand (participates in β ladder)trans-77.3102.9172.8-174.80000108.8M318 L366 K371 D372 V373 I374V316-M318 HydrophobicContact CG1-CE 3.78Å; V316-M318 HydrophobicContact CG1-CG 4.47Å; V316-L366 HydrophobicContact CG1-CD1 4.07Å; V316-K371 HydrophobicContact CG2-CB 4.39Å; V316-D372 PolarHBondContact N-O 2.81Å; V316-V373 HydrophobicContact CB-CG2 4.37Å; V316-I374 PolarHBondContact O-N 2.99Å
317L97.8Very high95.8Very high10 Ų1039.5 Ų39.55%0.05220%0.203CC..EExtended strand (participates in β ladder)trans-87.6120.4-180-178.960.6000111.5A305 I308 A309 C315 V336 E339 I374 L376A305-L317 HydrophobicContact CB-CD2 4.14Å; I308-L317 HydrophobicContact CD1-CD1 4.38Å; I308-L317 HydrophobicContact CG2-CD1 4.35Å; I308-L317 HydrophobicContact CG2-CD2 4.47Å; A309-L317 HydrophobicContact CB-CD2 4.44Å; C315-L317 PolarHBondContact O-N 3.41Å; C315-L317 VanDerWaalsContact O-N 3.15Å; L317-V336 HydrophobicContact CD2-CG1 3.59Å; L317-V336 HydrophobicContact CG-CG1 4.27Å; L317-E339 PolarHBondContact O-N 3.14Å; L317-I374 HydrophobicContact CD1-CB 4.38Å; L317-I374 HydrophobicContact CD1-CG2 4.4Å; L317-L376 HydrophobicContact CD1-CD1 3.91Å; L317-L376 HydrophobicContact CD1-CG 4Å
318M97.7Very high95.5Very high1 Ų141.2 Ų41.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-121.5129.5174.4-60.8179.6179.700109.8V316 E339 V359 K362 L366 V373 I374 I375 L376V316-M318 HydrophobicContact CG1-CE 3.78Å; V316-M318 HydrophobicContact CG1-CG 4.47Å; M318-E339 CarbonylContact C-O 3.51Å; M318-E339 WeakPolarHBondContact CA-O 3.39Å; M318-E339 HydrophobicContact CG-CB 4.49Å; M318-V359 HydrophobicContact SD-CG1 4.43Å; M318-K362 HydrophobicContact CE-CD 3.73Å; M318-K362 HydrophobicContact CE-CG 4.13Å; M318-K362 HydrophobicContact SD-CD 4.47Å; M318-L366 HydrophobicContact CE-CD1 3.38Å; M318-V373 HydrophobicContact CE-CG1 4.24Å; M318-V373 HydrophobicContact SD-CG1 4.05Å; M318-I374 PolarHBondContact N-O 3.1Å; M318-I375 HydrophobicContact CB-CG1 4.44Å; M318-I375 CarbonylContact O-C 3.43Å; M318-I375 VanDerWaalsContact O-CA 3.3Å; M318-I375 WeakPolarHBondContact O-CA 3.49Å; M318-L376 PolarHBondContact O-N 3.36Å
319V97.1Very high95.3Very high1 Ų141.7 Ų41.71%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-110119173.3-171.60000108.6L321 M332 V336 E339 V340 V341 L376V319-L321 HydrophobicContact CG1-CD2 3.8Å; V319-L321 HydrophobicContact CG1-CG 4.16Å; V319-M332 HydrophobicContact CB-CG 4.39Å; V319-M332 HydrophobicContact CG1-CE 4.5Å; V319-M332 HydrophobicContact CG1-CG 3.79Å; V319-M332 HydrophobicContact CG1-SD 4.16Å; V319-V336 HydrophobicContact CG2-CB 4.44Å; V319-V336 HydrophobicContact CG2-CG1 3.89Å; V319-V336 HydrophobicContact CG2-CG2 4.33Å; V319-E339 PolarHBondContact N-O 3.46Å; V319-V340 HydrophobicContact CB-CG1 4.36Å; V319-V340 HydrophobicContact CB-CG2 4.16Å; V319-V340 HydrophobicContact CG2-CG2 4.36Å; V319-V340 WeakPolarHBondContact O-CA 3.32Å; V319-V341 PolarHBondContact O-N 3.16Å; V319-L376 WeakPolarHBondContact CA-O 3.16Å; V319-L376 HydrophobicContact CG1-CB 4.33Å; V319-L376 HydrophobicContact CG2-CB 4.33Å; V319-L376 HydrophobicContact CG2-CD1 4.36Å
320L97.4Very high95.2Very high0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-108.5112.5179.7177.856.1000109.8I322 V341 V355 A356 V359 I375 L376 L377 D378 F413L320-I322 HydrophobicContact CD1-CD1 3.79Å; L320-I322 HydrophobicContact CD1-CG1 4.21Å; L320-I322 HydrophobicContact CD2-CG1 4.46Å; L320-I322 HydrophobicContact CG-CD1 4.14Å; L320-I322 HydrophobicContact CG-CG1 4.02Å; L320-V341 WeakPolarHBondContact CA-O 3.39Å; L320-V341 HydrophobicContact CD1-CB 4.35Å; L320-V341 HydrophobicContact CD1-CG1 4.34Å; L320-V355 HydrophobicContact CD1-CG1 3.97Å; L320-A356 HydrophobicContact CD2-CB 4.09Å; L320-V359 HydrophobicContact CD1-CG2 4.15Å; L320-V359 HydrophobicContact CD2-CB 4.26Å; L320-V359 HydrophobicContact CD2-CG1 4.2Å; L320-I375 HydrophobicContact CB-CG2 4.13Å; L320-L376 PolarHBondContact N-O 2.91Å; L320-L377 HydrophobicContact CB-CD1 4.23Å; L320-L377 HydrophobicContact CD2-CD1 3.96Å; L320-L377 HydrophobicContact CG-CD1 3.87Å; L320-L377 WeakPolarHBondContact O-CA 3.35Å; L320-D378 PolarHBondContact O-N 2.75Å; L320-D378 VanDerWaalsContact O-N 3.08Å; L320-F413 HydrophobicContact CD2-CE2 4.24Å; L320-F413 HydrophobicContact CD2-CZ 3.89Å
321L96.9Very high95Very high4 Ų440.1 Ų40.12%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-106.1119180-55178.9000109.7V319 V329 M332 V340 V341 A342 S343 D378V319-L321 HydrophobicContact CG1-CD2 3.8Å; V319-L321 HydrophobicContact CG1-CG 4.16Å; L321-V329 HydrophobicContact CB-CG2 4.32Å; L321-V329 HydrophobicContact CD1-CB 4.12Å; L321-V329 HydrophobicContact CD1-CG1 4.34Å; L321-V329 HydrophobicContact CD1-CG2 3.76Å; L321-M332 HydrophobicContact CD1-CB 3.95Å; L321-M332 HydrophobicContact CD1-CG 4.16Å; L321-V340 HydrophobicContact CD1-CG1 4.09Å; L321-V341 PolarHBondContact N-O 3.44Å; L321-A342 HydrophobicContact CB-CB 4Å; L321-A342 HydrophobicContact CD1-CB 4.48Å; L321-A342 CarbonylContact O-C 3.53Å; L321-A342 WeakPolarHBondContact O-CA 3.46Å; L321-S343 PolarHBondContact O-N 2.76Å; L321-D378 HydrophobicContact CD2-CB 3.99Å
322I96.6Very high94.8Very high0 Ų038 Ų380%020%0.199CC..EExtended strand (participates in β ladder)trans-120.8122.2-175.5-63.3-62.5000109.9L320 E324 H352 A356 L377 D378 R382 L383L320-I322 HydrophobicContact CD1-CD1 3.79Å; L320-I322 HydrophobicContact CD1-CG1 4.21Å; L320-I322 HydrophobicContact CD2-CG1 4.46Å; L320-I322 HydrophobicContact CG-CD1 4.14Å; L320-I322 HydrophobicContact CG-CG1 4.02Å; I322-E324 PolarHBondContact O-N 2.81Å; I322-H352 HydrophobicContact CD1-CB 4.37Å; I322-H352 HydrophobicContact CG2-CB 3.88Å; I322-A356 HydrophobicContact CD1-CB 4.47Å; I322-L377 HydrophobicContact CG1-CD1 3.91Å; I322-D378 PolarHBondContact N-O 2.88Å; I322-R382 HydrophobicContact CG2-CB 4.34Å; I322-R382 VanDerWaalsContact O-CD 3.22Å; I322-R382 WeakPolarHBondContact O-CD 3.31Å; I322-L383 HydrophobicContact CG2-CB 4.31Å; I322-L383 HydrophobicContact CG2-CD1 4.5Å
323D95.4Very high94.5Very high38 Ų3841.6 Ų41.620%0.20322%0.216CC..EExtended strand (participates in β ladder)trans55.341.8175.917948.3000111.5S343 F345 R382D323-S343 PolarHBondContact N-O 3.15Å; D323-F345 VanDerWaalsContact OD1-CA 3.31Å; D323-F345 WeakPolarHBondContact OD1-CA 3.4Å; D323-F345 WeakPolarHBondContact OD1-CB 3.43Å; D323-R382 HydrophobicContact CB-CB 4.06Å; D323-R382 HydrophobicContact CB-CG 4.33Å; D323-R382 VanDerWaalsContact O-CD 3.25Å; D323-R382 WeakPolarHBondContact O-CD 3.28Å; D323-R382 VanDerWaalsContact O-CZ 3.25Å; D323-R382 PolarHBondContact O-NE 3.14Å; D323-R382 PolarHBondContact O-NH1 3.25Å; D323-R382 WeakPolarHBondContact OD2-CD 3.26Å; D323-R382 IonicContact OD2-CZ 3.3Å; D323-R382 IonicContact OD2-NH1 3.88Å; D323-R382 PolarHBondContact OD2-NH1 3.04Å
324E91.8Very high94.3Very high3 Ų346.9 Ų46.91%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-112.5166.1179.3-162.750.9-80.900111.6K297 I322 E328 T344 F345K297-E324 IonicContact NZ-OE2 3.73Å; K297-E324 PolarHBondContact NZ-OE2 2.86Å; I322-E324 PolarHBondContact O-N 2.81Å; E324-E328 HydrophobicContact CG-CB 4.11Å; E324-E328 WeakPolarHBondContact CG-OE2 3.38Å; E324-T344 VanDerWaalsContact O-CA 3.23Å; E324-T344 WeakPolarHBondContact O-CA 3.42Å; E324-T344 WeakPolarHBondContact O-CB 3.4Å; E324-F345 PolarHBondContact O-N 3.4Å
325R93.2Very high94.1Very high106 Ų10645 Ų4540%0.421%0.212SC..  trans-70.9141.5-174.8-53.4-177.7-179.271.810.9113.5E327 E328 V329 F345R325-E327 VanDerWaalsContact C-N 3.27Å; R325-E327 HydrophobicContact CB-CG 4.29Å; R325-E327 WeakPolarHBondContact CD-OE1 3.48Å; R325-E327 PolarHBondContact O-N 3.29Å; R325-E328 HydrophobicContact CB-CG 4.22Å; R325-E328 IonicContact CZ-OE1 3.41Å; R325-E328 IonicContact NH1-OE1 2.84Å; R325-E328 PolarHBondContact NH1-OE1 2.98Å; R325-E328 PolarHBondContact O-N 3.43Å; R325-E328 VanDerWaalsContact O-N 3.09Å; R325-V329 WeakPolarHBondContact O-CG2 3.23Å; R325-V329 PolarHBondContact O-N 3.28Å; R325-V329 VanDerWaalsContact O-N 3.09Å; R325-F345 HydrophobicContact CB-CD1 4.42Å; R325-F345 HydrophobicContact CB-CE1 3.96Å; R325-F345 HydrophobicContact CG-CD1 4.19Å; R325-F345 HydrophobicContact CG-CE1 3.85Å
326P93.6Very high93.6Very high44 Ų4445 Ų4529%0.28621%0.211SC..Hα-helixtrans-54.7-36.3178.4-2633000115V329 T330 T344 F345P326-V329 PolarHBondContact O-N 2.96Å; P326-T330 PolarHBondContact O-N 2.89Å; P326-T330 PolarHBondContact O-OG1 3.15Å; P326-T344 HydrophobicContact CB-CG2 4.26Å; P326-T344 HydrophobicContact CG-CG2 3.97Å; P326-F345 VanDerWaalsContact CD-CE1 3.43Å
327E93.1Very high93.2Very high117 Ų11751.7 Ų51.755%0.54724%0.237SC..Hα-helixtrans-67.5-38.7177.461.5-86-15800112.6R325 V329 T330 E331R325-E327 VanDerWaalsContact C-N 3.27Å; R325-E327 HydrophobicContact CB-CG 4.29Å; R325-E327 WeakPolarHBondContact CD-OE1 3.48Å; R325-E327 PolarHBondContact O-N 3.29Å; E327-V329 VanDerWaalsContact C-N 3.34Å; E327-T330 PolarHBondContact O-N 3.01Å; E327-E331 WeakPolarHBondContact O-CB 3.31Å; E327-E331 PolarHBondContact O-N 3.17Å
328E91Very high92.8Very high37 Ų3753 Ų5317%0.17325%0.254CS..Hα-helixtrans-69.3-35.2176.5-64.8-175.6-15100110.6E324 R325 M332E324-E328 HydrophobicContact CG-CB 4.11Å; E324-E328 WeakPolarHBondContact CG-OE2 3.38Å; R325-E328 HydrophobicContact CB-CG 4.22Å; R325-E328 IonicContact CZ-OE1 3.41Å; R325-E328 IonicContact NH1-OE1 2.84Å; R325-E328 PolarHBondContact NH1-OE1 2.98Å; R325-E328 PolarHBondContact O-N 3.43Å; R325-E328 VanDerWaalsContact O-N 3.09Å; E328-M332 WeakPolarHBondContact O-CB 3.42Å; E328-M332 PolarHBondContact O-N 2.96Å
329V92.7Very high92.6Very high11 Ų1155 Ų557%0.06726%0.263CS..Hα-helixtrans-62.1-48.8172.4173.90000111.1L321 R325 P326 E327 E331 M332 Q333 A342 T344L321-V329 HydrophobicContact CB-CG2 4.32Å; L321-V329 HydrophobicContact CD1-CB 4.12Å; L321-V329 HydrophobicContact CD1-CG1 4.34Å; L321-V329 HydrophobicContact CD1-CG2 3.76Å; R325-V329 WeakPolarHBondContact O-CG2 3.23Å; R325-V329 PolarHBondContact O-N 3.28Å; R325-V329 VanDerWaalsContact O-N 3.09Å; P326-V329 PolarHBondContact O-N 2.96Å; E327-V329 VanDerWaalsContact C-N 3.34Å; V329-E331 VanDerWaalsContact C-N 3.31Å; V329-E331 PolarHBondContact O-N 2.87Å; V329-M332 PolarHBondContact O-N 3.49Å; V329-Q333 HydrophobicContact CG1-CG 4.48Å; V329-Q333 WeakPolarHBondContact O-CG 3.24Å; V329-Q333 PolarHBondContact O-N 3.46Å; V329-A342 HydrophobicContact CB-CB 4.26Å; V329-A342 HydrophobicContact CG1-CB 3.44Å; V329-A342 VanDerWaalsContact CG1-CB 3.44Å; V329-A342 HydrophobicContact CG2-CB 3.74Å; V329-T344 HydrophobicContact CG2-CG2 4.01Å
330T91.5Very high92.5Very high55 Ų5555.9 Ų55.934%0.33727%0.268SS..Hα-helixtrans-63.2-40-179.6-56.80000111.4P326 E327 R334P326-T330 PolarHBondContact O-N 2.89Å; P326-T330 PolarHBondContact O-OG1 3.15Å; E327-T330 PolarHBondContact O-N 3.01Å; T330-R334 WeakPolarHBondContact O-CG 3.35Å; T330-R334 PolarHBondContact O-N 2.8Å
331E92.6Very high92.4Very high96 Ų9656 Ų5645%0.44927%0.269SS..Hα-helixtrans-60.9-48.2175.2-172.3-175.3158.900111.2Q302 E327 V329 Q333 R334 L335Q302-E331 PolarHBondContact NE2-OE1 3.33Å; E327-E331 WeakPolarHBondContact O-CB 3.31Å; E327-E331 PolarHBondContact O-N 3.17Å; V329-E331 VanDerWaalsContact C-N 3.31Å; V329-E331 PolarHBondContact O-N 2.87Å; E331-Q333 PolarHBondContact O-N 2.95Å; E331-R334 PolarHBondContact O-N 3.25Å; E331-L335 VanDerWaalsContact O-CB 3.31Å; E331-L335 WeakPolarHBondContact O-CB 3.44Å; E331-L335 PolarHBondContact O-N 2.89Å
332M91.8Very high92.3Very high3 Ų356.4 Ų56.42%0.01527%0.273CS..Hα-helixtrans-61.9-43.1179.1-168.166.270.700112.4Q302 V319 L321 E328 V329 R334 L335 V336 V340Q302-M332 HydrophobicContact CG-CE 3.67Å; Q302-M332 HydrophobicContact CG-SD 3.95Å; V319-M332 HydrophobicContact CB-CG 4.39Å; V319-M332 HydrophobicContact CG1-CE 4.5Å; V319-M332 HydrophobicContact CG1-CG 3.79Å; V319-M332 HydrophobicContact CG1-SD 4.16Å; L321-M332 HydrophobicContact CD1-CB 3.95Å; L321-M332 HydrophobicContact CD1-CG 4.16Å; E328-M332 WeakPolarHBondContact O-CB 3.42Å; E328-M332 PolarHBondContact O-N 2.96Å; V329-M332 PolarHBondContact O-N 3.49Å; M332-R334 VanDerWaalsContact C-N 3.28Å; M332-R334 PolarHBondContact O-N 2.94Å; M332-L335 PolarHBondContact O-N 2.83Å; M332-V336 HydrophobicContact CG-CG2 4.09Å; M332-V336 PolarHBondContact O-N 3Å; M332-V336 HydrophobicContact SD-CG2 3.36Å; M332-V336 WeakPolarHBondContact SD-CG2 3.36Å; M332-V340 HydrophobicContact CB-CG1 4.42Å; M332-V340 HydrophobicContact CG-CG1 4.15Å; M332-V340 HydrophobicContact CG-CG2 4.32Å
333Q91.2Very high92.2Very high98 Ų9856.5 Ų56.546%0.45827%0.274SS..Hα-helixtrans-59.5-35.8176.9-78.7176-23.600113.1V329 E331 V340V329-Q333 HydrophobicContact CG1-CG 4.48Å; V329-Q333 WeakPolarHBondContact O-CG 3.24Å; V329-Q333 PolarHBondContact O-N 3.46Å; E331-Q333 PolarHBondContact O-N 2.95Å; Q333-V340 HydrophobicContact CG-CB 3.77Å; Q333-V340 HydrophobicContact CG-CG1 3.73Å; Q333-V340 HydrophobicContact CG-CG2 4.36Å
334R90.3Very high92.2Very high214 Ų21456 Ų5681%0.80827%0.272SS*.Hα-helixtrans-81.8-26.5179.7-70175.9178.9-177.91113.1T330 E331 M332T330-R334 WeakPolarHBondContact O-CG 3.35Å; T330-R334 PolarHBondContact O-N 2.8Å; E331-R334 PolarHBondContact O-N 3.25Å; M332-R334 VanDerWaalsContact C-N 3.28Å; M332-R334 PolarHBondContact O-N 2.94Å
335L89.9Confident92.3Very high51 Ų5160.7 Ų60.727%0.26729%0.292SS..Hα-helixtrans-90.5-41.6-173.4-176.1153.2000112.5Q302 Q306 E331 M332Q302-L335 HydrophobicContact CB-CD1 4.22Å; Q302-L335 HydrophobicContact CB-CD2 3.96Å; Q302-L335 HydrophobicContact CG-CD1 4.13Å; Q302-L335 HydrophobicContact CG-CD2 4.2Å; Q306-L335 HydrophobicContact CG-CD2 3.69Å; E331-L335 VanDerWaalsContact O-CB 3.31Å; E331-L335 WeakPolarHBondContact O-CB 3.44Å; E331-L335 PolarHBondContact O-N 2.89Å; M332-L335 PolarHBondContact O-N 2.83Å
336V88.1Confident92.3Very high11 Ų1161 Ų617%0.06730%0.302CS..  trans-88.1128-171.61780000111.3A305 L317 V319 M332 G338 V340A305-V336 HydrophobicContact CB-CB 4.45Å; A305-V336 HydrophobicContact CB-CG1 4.03Å; A305-V336 HydrophobicContact CB-CG2 3.57Å; L317-V336 HydrophobicContact CD2-CG1 3.59Å; L317-V336 HydrophobicContact CG-CG1 4.27Å; V319-V336 HydrophobicContact CG2-CB 4.44Å; V319-V336 HydrophobicContact CG2-CG1 3.89Å; V319-V336 HydrophobicContact CG2-CG2 4.33Å; M332-V336 HydrophobicContact CG-CG2 4.09Å; M332-V336 PolarHBondContact O-N 3Å; M332-V336 HydrophobicContact SD-CG2 3.36Å; M332-V336 WeakPolarHBondContact SD-CG2 3.36Å; V336-G338 VanDerWaalsContact C-N 3.31Å; V336-G338 PolarHBondContact O-N 3.24Å; V336-G338 VanDerWaalsContact O-N 3.11Å; V336-V340 HydrophobicContact CB-CG2 4.35Å
337K88.2Confident92.4Very high185 Ų18562.6 Ų62.680%0.80431%0.306SS*.SBendtrans-82.379167.4-67.2-173.3178.6-1760109.6A309A309-K337 HydrophobicContact CB-CB 4.23Å
338G89.2Confident92.5Very high39 Ų3960.6 Ų60.640%0.40230%0.303SS..SBendtrans-178.2-177.3-177.800000111.1V336V336-G338 VanDerWaalsContact C-N 3.31Å; V336-G338 PolarHBondContact O-N 3.24Å; V336-G338 VanDerWaalsContact O-N 3.11Å
339E92.8Very high92.8Very high43 Ų4359.9 Ų59.920%0.20130%0.303CS..EExtended strand (participates in β ladder)trans-81.7123.7177.8-172.9-173.1159.500110.1Y185 L317 M318 V319 V341 K362Y185-E339 PolarHBondContact OH-OE1 3.46Å; L317-E339 PolarHBondContact O-N 3.14Å; M318-E339 CarbonylContact C-O 3.51Å; M318-E339 WeakPolarHBondContact CA-O 3.39Å; M318-E339 HydrophobicContact CG-CB 4.49Å; V319-E339 PolarHBondContact N-O 3.46Å; E339-V341 HydrophobicContact CG-CG2 4.01Å; E339-V341 WeakPolarHBondContact OE1-CG2 3.34Å; E339-K362 VanDerWaalsContact CD-NZ 3.27Å; E339-K362 IonicContact OE1-NZ 2.83Å; E339-K362 PolarHBondContact OE1-NZ 3Å; E339-K362 IonicContact OE2-NZ 2.84Å; E339-K362 PolarHBondContact OE2-NZ 3.31Å
340V94.6Very high93Very high18 Ų1862.9 Ų62.911%0.10933%0.325CS..EExtended strand (participates in β ladder)trans-112.5113.6176.3-176.30000109.4V319 L321 M332 Q333 V336V319-V340 HydrophobicContact CB-CG1 4.36Å; V319-V340 HydrophobicContact CB-CG2 4.16Å; V319-V340 HydrophobicContact CG2-CG2 4.36Å; V319-V340 WeakPolarHBondContact O-CA 3.32Å; L321-V340 HydrophobicContact CD1-CG1 4.09Å; M332-V340 HydrophobicContact CB-CG1 4.42Å; M332-V340 HydrophobicContact CG-CG1 4.15Å; M332-V340 HydrophobicContact CG-CG2 4.32Å; Q333-V340 HydrophobicContact CG-CB 3.77Å; Q333-V340 HydrophobicContact CG-CG1 3.73Å; Q333-V340 HydrophobicContact CG-CG2 4.36Å; V336-V340 HydrophobicContact CB-CG2 4.35Å
341V95.6Very high93.1Very high2 Ų261 Ų611%0.01231%0.311CS..EExtended strand (participates in β ladder)trans-111126.2179.9-173.70000108Y185 V319 L320 L321 E339 V355 V359Y185-V341 HydrophobicContact CD2-CG1 3.96Å; Y185-V341 HydrophobicContact CD2-CG2 4.44Å; Y185-V341 HydrophobicContact CE2-CG1 4.14Å; Y185-V341 HydrophobicContact CE2-CG2 3.78Å; V319-V341 PolarHBondContact O-N 3.16Å; L320-V341 WeakPolarHBondContact CA-O 3.39Å; L320-V341 HydrophobicContact CD1-CB 4.35Å; L320-V341 HydrophobicContact CD1-CG1 4.34Å; L321-V341 PolarHBondContact N-O 3.44Å; E339-V341 HydrophobicContact CG-CG2 4.01Å; E339-V341 WeakPolarHBondContact OE1-CG2 3.34Å; V341-V355 HydrophobicContact CG1-CG1 3.43Å; V341-V355 VanDerWaalsContact CG1-CG1 3.43Å; V341-V359 HydrophobicContact CB-CG2 4.01Å; V341-V359 HydrophobicContact CG1-CG2 3.78Å; V341-V359 HydrophobicContact CG2-CG2 4.01Å
342A95.1Very high93.3Very high13 Ų1356.9 Ų56.911%0.10729%0.292CS..EExtended strand (participates in β ladder)trans-134.1148.5-173.400000112.8S184 L321 V329S184-A342 VanDerWaalsContact CB-O 3.24Å; S184-A342 WeakPolarHBondContact CB-O 3.32Å; S184-A342 PolarHBondContact OG-N 3.41Å; S184-A342 VanDerWaalsContact OG-N 3.16Å; S184-A342 PolarHBondContact OG-O 3.36Å; L321-A342 HydrophobicContact CB-CB 4Å; L321-A342 HydrophobicContact CD1-CB 4.48Å; L321-A342 CarbonylContact O-C 3.53Å; L321-A342 WeakPolarHBondContact O-CA 3.46Å; V329-A342 HydrophobicContact CB-CB 4.26Å; V329-A342 HydrophobicContact CG1-CB 3.44Å; V329-A342 VanDerWaalsContact CG1-CB 3.44Å; V329-A342 HydrophobicContact CG2-CB 3.74Å
343S95.1Very high93.5Very high3 Ų357.2 Ų57.22%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-135.6101.4165.8-173.80000106.8L321 D323 E347 H352L321-S343 PolarHBondContact O-N 2.76Å; D323-S343 PolarHBondContact N-O 3.15Å; S343-E347 WeakPolarHBondContact OG-CB 3.46Å; S343-H352 PolarHBondContact OG-ND1 3.4Å
344T94.5Very high93.7Very high27 Ų2755.4 Ų55.417%0.16629%0.286CS..EExtended strand (participates in β ladder)trans-67.2167.7-17660.90000111.3E324 P326 V329 D346 E347 H352E324-T344 VanDerWaalsContact O-CA 3.23Å; E324-T344 WeakPolarHBondContact O-CA 3.42Å; E324-T344 WeakPolarHBondContact O-CB 3.4Å; P326-T344 HydrophobicContact CB-CG2 4.26Å; P326-T344 HydrophobicContact CG-CG2 3.97Å; V329-T344 HydrophobicContact CG2-CG2 4.01Å; T344-D346 PolarHBondContact O-N 3.35Å; T344-D346 PolarHBondContact OG1-OD2 3.36Å; T344-E347 WeakPolarHBondContact O-CB 3.42Å; T344-E347 PolarHBondContact O-N 3.42Å; T344-E347 VanDerWaalsContact O-N 3.08Å; T344-H352 PolarHBondContact O-CE1 2.97Å; T344-H352 VanDerWaalsContact O-CE1 3.28Å
345F94Very high93.9Very high102 Ų10245.2 Ų45.245%0.44725%0.247SC..THydrogen-bonded Turntrans-61.4-11.8177.364.2-110.1000114.8D323 E324 R325 P326D323-F345 VanDerWaalsContact OD1-CA 3.31Å; D323-F345 WeakPolarHBondContact OD1-CA 3.4Å; D323-F345 WeakPolarHBondContact OD1-CB 3.43Å; E324-F345 PolarHBondContact O-N 3.4Å; R325-F345 HydrophobicContact CB-CD1 4.42Å; R325-F345 HydrophobicContact CB-CE1 3.96Å; R325-F345 HydrophobicContact CG-CD1 4.19Å; R325-F345 HydrophobicContact CG-CE1 3.85Å; P326-F345 VanDerWaalsContact CD-CE1 3.43Å
346D94.3Very high94.3Very high112 Ų11242.8 Ų42.860%0.59924%0.235SC*.THydrogen-bonded Turntrans-74.5-17.8175.8-57.9-57.4000112.3T344T344-D346 PolarHBondContact O-N 3.35Å; T344-D346 PolarHBondContact OG1-OD2 3.36Å
347E94.5Very high94.7Very high78 Ų7844.5 Ų44.536%0.36424%0.242SC..SBendtrans-88.5150.9-178.1-65.5-68.6168.400111.8S343 T344 R351 H352S343-E347 WeakPolarHBondContact OG-CB 3.46Å; T344-E347 WeakPolarHBondContact O-CB 3.42Å; T344-E347 PolarHBondContact O-N 3.42Å; T344-E347 VanDerWaalsContact O-N 3.08Å; E347-R351 HydrophobicContact CB-CB 4.09Å; E347-R351 HydrophobicContact CB-CG 3.93Å; E347-R351 HydrophobicContact CG-CG 4.18Å; E347-H352 PolarHBondContact O-CE1 3.08Å; E347-H352 VanDerWaalsContact O-CE1 3.27Å; E347-H352 PolarHBondContact O-NE2 3.33Å
348P96.3Very high95.1Very high74 Ų7436 Ų3648%0.48121%0.205SC..  trans-71.6156.6178.529.5-34.5000112.5S350 R351 H352P348-S350 PolarHBondContact O-N 2.99Å; P348-S350 VanDerWaalsContact O-N 3.09Å; P348-R351 HydrophobicContact CG-CB 3.93Å; P348-R351 WeakPolarHBondContact O-CA 3.37Å; P348-R351 WeakPolarHBondContact O-CB 3.3Å; P348-R351 PolarHBondContact O-N 2.98Å; P348-H352 PolarHBondContact O-N 2.98Å
349A96.4Very high95.5Very high23 Ų2334.2 Ų34.219%0.1919%0.186CC..Hα-helixtrans-54.8-33177.400000114.2R351 H352 V353 A386 T389 V390A349-R351 VanDerWaalsContact C-N 3.26Å; A349-R351 PolarHBondContact O-N 2.84Å; A349-H352 PolarHBondContact O-N 3.44Å; A349-V353 PolarHBondContact O-N 2.96Å; A349-V353 VanDerWaalsContact O-N 3.13Å; A349-A386 HydrophobicContact CB-CB 3.98Å; A349-T389 HydrophobicContact CB-CG2 4.15Å; A349-V390 HydrophobicContact CB-CG1 3.96Å
350S96.2Very high95.7Very high74 Ų7432.3 Ų32.352%0.51718%0.178SC..Hα-helixtrans-61-35.7173.952.50000112.4P348 Q354P348-S350 PolarHBondContact O-N 2.99Å; P348-S350 VanDerWaalsContact O-N 3.09Å; S350-Q354 WeakPolarHBondContact O-CB 3.45Å; S350-Q354 PolarHBondContact O-N 3.4Å
351R94.3Very high95.9Very high15 Ų1533.3 Ų33.36%0.05718%0.181CC..Hα-helixtrans-68.4-46.5176.1-177.665.9-177.3138.311.6111.1S183 S184 Y185 L186 E347 P348 A349 V353 Q354 V355S183-R351 PolarHBondContact O-NH2 3.38Å; S184-R351 PolarHBondContact O-NH2 3.09Å; Y185-R351 PolarHBondContact O-NH1 3.27Å; L186-R351 VanDerWaalsContact CA-NH2 3.29Å; L186-R351 VanDerWaalsContact N-NH2 3.14Å; E347-R351 HydrophobicContact CB-CB 4.09Å; E347-R351 HydrophobicContact CB-CG 3.93Å; E347-R351 HydrophobicContact CG-CG 4.18Å; P348-R351 HydrophobicContact CG-CB 3.93Å; P348-R351 WeakPolarHBondContact O-CA 3.37Å; P348-R351 WeakPolarHBondContact O-CB 3.3Å; P348-R351 PolarHBondContact O-N 2.98Å; A349-R351 VanDerWaalsContact C-N 3.26Å; A349-R351 PolarHBondContact O-N 2.84Å; R351-V353 VanDerWaalsContact C-N 3.27Å; R351-V353 PolarHBondContact O-N 3.25Å; R351-Q354 PolarHBondContact O-N 3.42Å; R351-Q354 VanDerWaalsContact O-N 3.15Å; R351-V355 HydrophobicContact CG-CG2 4.39Å; R351-V355 WeakPolarHBondContact O-CG2 3.33Å; R351-V355 PolarHBondContact O-N 2.84Å
352H96.4Very high96Very high9 Ų933.9 Ų33.94%0.04218%0.183CC..Hα-helixtrans-54.5-45.4176-57-21.6000111.8I322 S343 T344 E347 P348 A349 A356 A386I322-H352 HydrophobicContact CD1-CB 4.37Å; I322-H352 HydrophobicContact CG2-CB 3.88Å; S343-H352 PolarHBondContact OG-ND1 3.4Å; T344-H352 PolarHBondContact O-CE1 2.97Å; T344-H352 VanDerWaalsContact O-CE1 3.28Å; E347-H352 PolarHBondContact O-CE1 3.08Å; E347-H352 VanDerWaalsContact O-CE1 3.27Å; E347-H352 PolarHBondContact O-NE2 3.33Å; P348-H352 PolarHBondContact O-N 2.98Å; A349-H352 PolarHBondContact O-N 3.44Å; H352-A356 WeakPolarHBondContact O-CB 3.47Å; H352-A356 PolarHBondContact O-N 3.43Å; H352-A386 HydrophobicContact CB-CB 4Å
353V96.5Very high96.1Very high10 Ų1033.2 Ų33.26%0.06118%0.178CC..Hα-helixtrans-64.4-47.1177.51700000111.2A349 R351 V355 A356 E357 A386 Y387 V390A349-V353 PolarHBondContact O-N 2.96Å; A349-V353 VanDerWaalsContact O-N 3.13Å; R351-V353 VanDerWaalsContact C-N 3.27Å; R351-V353 PolarHBondContact O-N 3.25Å; V353-V355 PolarHBondContact O-N 2.83Å; V353-A356 PolarHBondContact O-N 3.11Å; V353-E357 HydrophobicContact CG1-CG 4.24Å; V353-E357 WeakPolarHBondContact O-CB 3.29Å; V353-E357 WeakPolarHBondContact O-CG 3.13Å; V353-E357 PolarHBondContact O-N 2.62Å; V353-A386 HydrophobicContact CG2-CB 4.17Å; V353-Y387 HydrophobicContact CB-CE1 4.25Å; V353-Y387 HydrophobicContact CG1-CD1 4.02Å; V353-Y387 HydrophobicContact CG1-CE1 3.4Å; V353-Y387 VanDerWaalsContact CG1-CE1 3.4Å; V353-Y387 HydrophobicContact CG2-CD1 3.79Å; V353-Y387 HydrophobicContact CG2-CD2 4.12Å; V353-Y387 HydrophobicContact CG2-CE1 3.88Å; V353-Y387 HydrophobicContact CG2-CE2 4.23Å; V353-Y387 HydrophobicContact CG2-CG 3.93Å; V353-V390 HydrophobicContact CG2-CG2 3.96Å
354Q95Very high96.3Very high60 Ų6034.1 Ų34.128%0.2818%0.182SC..Hα-helixtrans-58.5-47.1179.2-174.2-167.820.200112S350 R351 E357 M358S350-Q354 WeakPolarHBondContact O-CB 3.45Å; S350-Q354 PolarHBondContact O-N 3.4Å; R351-Q354 PolarHBondContact O-N 3.42Å; R351-Q354 VanDerWaalsContact O-N 3.15Å; Q354-E357 PolarHBondContact O-N 2.94Å; Q354-M358 PolarHBondContact O-N 2.88Å
355V95.4Very high96.4Very high0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-63.5-45.4-179.3175.40000110.8L320 V341 R351 V353 E357 M358 V359L320-V355 HydrophobicContact CD1-CG1 3.97Å; V341-V355 HydrophobicContact CG1-CG1 3.43Å; V341-V355 VanDerWaalsContact CG1-CG1 3.43Å; R351-V355 HydrophobicContact CG-CG2 4.39Å; R351-V355 WeakPolarHBondContact O-CG2 3.33Å; R351-V355 PolarHBondContact O-N 2.84Å; V353-V355 PolarHBondContact O-N 2.83Å; V355-E357 VanDerWaalsContact C-N 3.32Å; V355-E357 PolarHBondContact O-N 2.97Å; V355-M358 PolarHBondContact O-N 2.84Å; V355-V359 WeakPolarHBondContact O-CG2 3.44Å; V355-V359 PolarHBondContact O-N 3.28Å
356A96.9Very high96.6Very high0 Ų028.1 Ų28.10%015%0.153CC..Hα-helixtrans-60.7-41.317700000112.2L320 I322 H352 V353 V359 I360 L383 F413L320-A356 HydrophobicContact CD2-CB 4.09Å; I322-A356 HydrophobicContact CD1-CB 4.47Å; H352-A356 WeakPolarHBondContact O-CB 3.47Å; H352-A356 PolarHBondContact O-N 3.43Å; V353-A356 PolarHBondContact O-N 3.11Å; A356-V359 PolarHBondContact O-N 3.26Å; A356-I360 WeakPolarHBondContact O-CG2 3.34Å; A356-I360 PolarHBondContact O-N 3.03Å; A356-L383 HydrophobicContact CB-CD1 3.66Å; A356-L383 HydrophobicContact CB-CD2 4.14Å; A356-F413 HydrophobicContact CB-CD2 4.43Å; A356-F413 HydrophobicContact CB-CE2 4.01Å; A356-F413 WeakPolarHBondContact O-CE2 3.22Å
357E96.6Very high96.7Very high48 Ų4822.9 Ų22.922%0.22413%0.125CC..Hα-helixtrans-64.6-40.5176.7-67.7-73.8169.400112V353 Q354 V355 I360 E361 Y387 R409V353-E357 HydrophobicContact CG1-CG 4.24Å; V353-E357 WeakPolarHBondContact O-CB 3.29Å; V353-E357 WeakPolarHBondContact O-CG 3.13Å; V353-E357 PolarHBondContact O-N 2.62Å; Q354-E357 PolarHBondContact O-N 2.94Å; V355-E357 VanDerWaalsContact C-N 3.32Å; V355-E357 PolarHBondContact O-N 2.97Å; E357-I360 VanDerWaalsContact O-CG2 3.31Å; E357-I360 WeakPolarHBondContact O-CG2 3.26Å; E357-E361 WeakPolarHBondContact O-CB 3.45Å; E357-E361 WeakPolarHBondContact O-CG 3.39Å; E357-E361 PolarHBondContact O-N 2.68Å; E357-Y387 PolarHBondContact OE1-OH 2.83Å; E357-R409 IonicContact OE1-CZ 3.31Å; E357-R409 IonicContact OE1-NE 2.75Å; E357-R409 PolarHBondContact OE1-NE 2.98Å; E357-R409 IonicContact OE1-NH2 2.91Å; E357-R409 PolarHBondContact OE1-NH2 2.88Å; E357-R409 IonicContact OE2-NH2 3.17Å
358M96.9Very high96.8Very high5 Ų519.7 Ų19.73%0.02511%0.11CC..Hα-helixtrans-63.5-44.6175-75.3-60.5-65.800112.2V167 E169 R179 Y185 T206 Q354 V355 E361 K362V167-M358 HydrophobicContact CB-CE 4.38Å; V167-M358 HydrophobicContact CG1-CE 3.79Å; E169-M358 HydrophobicContact CB-CE 3.85Å; E169-M358 HydrophobicContact CB-SD 3.84Å; E169-M358 HydrophobicContact CG-CE 4.47Å; E169-M358 HydrophobicContact CG-SD 3.8Å; R179-M358 HydrophobicContact CG-CE 4.42Å; Y185-M358 HydrophobicContact CD2-CB 4.22Å; Y185-M358 HydrophobicContact CG-CB 4.18Å; T206-M358 HydrophobicContact CG2-SD 3.83Å; Q354-M358 PolarHBondContact O-N 2.88Å; V355-M358 PolarHBondContact O-N 2.84Å; M358-E361 PolarHBondContact O-N 3.42Å; M358-K362 WeakPolarHBondContact O-CB 3.32Å; M358-K362 PolarHBondContact O-N 3.46Å
359V97.5Very high96.7Very high2 Ų217.7 Ų17.71%0.01210%0.095CC..Hα-helixtrans-64.7-44.2179.6171.70000111.5Y185 M318 L320 V341 V355 A356 K362 A363 I375Y185-V359 HydrophobicContact CD2-CG2 4.22Å; Y185-V359 HydrophobicContact CE2-CG2 4.07Å; M318-V359 HydrophobicContact SD-CG1 4.43Å; L320-V359 HydrophobicContact CD1-CG2 4.15Å; L320-V359 HydrophobicContact CD2-CB 4.26Å; L320-V359 HydrophobicContact CD2-CG1 4.2Å; V341-V359 HydrophobicContact CB-CG2 4.01Å; V341-V359 HydrophobicContact CG1-CG2 3.78Å; V341-V359 HydrophobicContact CG2-CG2 4.01Å; V355-V359 WeakPolarHBondContact O-CG2 3.44Å; V355-V359 PolarHBondContact O-N 3.28Å; A356-V359 PolarHBondContact O-N 3.26Å; V359-K362 PolarHBondContact O-N 2.89Å; V359-A363 WeakPolarHBondContact O-CB 3.42Å; V359-A363 PolarHBondContact O-N 3.39Å; V359-I375 HydrophobicContact CG1-CD1 4.16Å
360I98Very high96.7Very high3 Ų322.5 Ų22.52%0.01511%0.111CC..Hα-helixtrans-69.4-37.3-179.7-164.761.6000112.2A356 E357 A363 K364 I375 F413 A416 L426 I428A356-I360 WeakPolarHBondContact O-CG2 3.34Å; A356-I360 PolarHBondContact O-N 3.03Å; E357-I360 VanDerWaalsContact O-CG2 3.31Å; E357-I360 WeakPolarHBondContact O-CG2 3.26Å; I360-A363 PolarHBondContact O-N 2.91Å; I360-K364 WeakPolarHBondContact O-CG 3.32Å; I360-K364 PolarHBondContact O-N 3.4Å; I360-I375 HydrophobicContact CD1-CD1 3.89Å; I360-F413 HydrophobicContact CB-CD2 3.77Å; I360-F413 HydrophobicContact CB-CE2 3.64Å; I360-F413 HydrophobicContact CD1-CD2 4.43Å; I360-F413 HydrophobicContact CD1-CE2 4.3Å; I360-F413 HydrophobicContact CD1-CZ 4.48Å; I360-F413 HydrophobicContact CG1-CD2 4.04Å; I360-F413 HydrophobicContact CG1-CE2 4.18Å; I360-F413 HydrophobicContact CG2-CD2 3.97Å; I360-F413 HydrophobicContact CG2-CE2 4.2Å; I360-A416 HydrophobicContact CD1-CB 3.88Å; I360-A416 HydrophobicContact CG1-CB 4.18Å; I360-L426 HydrophobicContact CD1-CD2 3.81Å; I360-I428 HydrophobicContact CD1-CD1 4.01Å
361E98Very high96.7Very high39 Ų3923.4 Ų23.418%0.18211%0.106CC..Hα-helixtrans-66.3-42.8175-71.6-55.4134.800111.1T206 E357 M358 A363 K364 R365T206-E361 HydrophobicContact CG2-CB 4.27Å; T206-E361 HydrophobicContact CG2-CG 4.38Å; E357-E361 WeakPolarHBondContact O-CB 3.45Å; E357-E361 WeakPolarHBondContact O-CG 3.39Å; E357-E361 PolarHBondContact O-N 2.68Å; M358-E361 PolarHBondContact O-N 3.42Å; E361-A363 VanDerWaalsContact C-N 3.34Å; E361-A363 PolarHBondContact O-N 3.47Å; E361-K364 PolarHBondContact O-N 2.72Å; E361-K364 IonicContact OE1-NZ 2.68Å; E361-K364 PolarHBondContact OE1-NZ 2.58Å; E361-R365 WeakPolarHBondContact O-CG 3.22Å; E361-R365 PolarHBondContact O-N 2.7Å; E361-R365 IonicContact OE2-CZ 2.96Å; E361-R365 IonicContact OE2-NH1 3.06Å; E361-R365 PolarHBondContact OE2-NH1 3.19Å; E361-R365 IonicContact OE2-NH2 3.82Å
362K97.9Very high96.9Very high14 Ų1424.2 Ų24.26%0.06111%0.111CC..Hα-helixtrans-55.2-49.3172-175.7-173.1-172.2174.60111.6V167 Y185 G207 M318 E339 M358 V359 K364 R365 L366V167-K362 HydrophobicContact CG1-CB 4.3Å; V167-K362 HydrophobicContact CG1-CG 4.45Å; V167-K362 HydrophobicContact CG2-CD 3.89Å; V167-K362 HydrophobicContact CG2-CG 4.33Å; Y185-K362 WeakPolarHBondContact OH-CD 3.48Å; Y185-K362 PolarHBondContact OH-NZ 3.35Å; G207-K362 WeakPolarHBondContact O-CA 3.31Å; M318-K362 HydrophobicContact CE-CD 3.73Å; M318-K362 HydrophobicContact CE-CG 4.13Å; M318-K362 HydrophobicContact SD-CD 4.47Å; E339-K362 VanDerWaalsContact CD-NZ 3.27Å; E339-K362 IonicContact OE1-NZ 2.83Å; E339-K362 PolarHBondContact OE1-NZ 3Å; E339-K362 IonicContact OE2-NZ 2.84Å; E339-K362 PolarHBondContact OE2-NZ 3.31Å; M358-K362 WeakPolarHBondContact O-CB 3.32Å; M358-K362 PolarHBondContact O-N 3.46Å; V359-K362 PolarHBondContact O-N 2.89Å; K362-K364 PolarHBondContact O-N 3.04Å; K362-R365 PolarHBondContact O-N 2.98Å; K362-R365 VanDerWaalsContact O-N 3.16Å; K362-L366 HydrophobicContact CG-CD1 4.39Å; K362-L366 WeakPolarHBondContact O-CG 3.43Å; K362-L366 PolarHBondContact O-N 3.18Å
363A98.2Very high97Very high0 Ų023.8 Ų23.80%011%0.109CC..Hα-helixtrans-59.4-44.9179.500000112V359 I360 E361 R365 L366 V367 V373 I375 L426V359-A363 WeakPolarHBondContact O-CB 3.42Å; V359-A363 PolarHBondContact O-N 3.39Å; I360-A363 PolarHBondContact O-N 2.91Å; E361-A363 VanDerWaalsContact C-N 3.34Å; E361-A363 PolarHBondContact O-N 3.47Å; A363-R365 PolarHBondContact O-N 3.09Å; A363-L366 PolarHBondContact O-N 2.74Å; A363-V367 WeakPolarHBondContact O-CG2 3.35Å; A363-V367 PolarHBondContact O-N 2.6Å; A363-V373 HydrophobicContact CB-CG1 3.81Å; A363-I375 HydrophobicContact CB-CD1 3.81Å; A363-I375 HydrophobicContact CB-CG1 4.43Å; A363-L426 HydrophobicContact CB-CD1 3.83Å
364K98.3Very high97.1Very high21 Ų2123.3 Ų23.39%0.09111%0.106CC..Hα-helixtrans-59.4-43.8174.6-70173-171.3168.50112.1F246 I360 E361 K362 L366 V367 E368F246-K364 HydrophobicContact CB-CB 4.17Å; F246-K364 HydrophobicContact CB-CG 4.47Å; F246-K364 HydrophobicContact CD1-CB 4.43Å; F246-K364 HydrophobicContact CD1-CD 4.04Å; F246-K364 HydrophobicContact CD1-CG 3.85Å; F246-K364 HydrophobicContact CD2-CB 4.01Å; F246-K364 HydrophobicContact CD2-CG 4.04Å; F246-K364 HydrophobicContact CE1-CD 4.42Å; F246-K364 HydrophobicContact CE1-CG 4.03Å; F246-K364 HydrophobicContact CE2-CG 4.2Å; F246-K364 HydrophobicContact CG-CB 3.95Å; F246-K364 HydrophobicContact CG-CD 4.33Å; F246-K364 HydrophobicContact CG-CG 3.85Å; F246-K364 HydrophobicContact CZ-CG 4.19Å; I360-K364 WeakPolarHBondContact O-CG 3.32Å; I360-K364 PolarHBondContact O-N 3.4Å; E361-K364 PolarHBondContact O-N 2.72Å; E361-K364 IonicContact OE1-NZ 2.68Å; E361-K364 PolarHBondContact OE1-NZ 2.58Å; K362-K364 PolarHBondContact O-N 3.04Å; K364-L366 VanDerWaalsContact C-N 3.3Å; K364-L366 PolarHBondContact O-N 2.8Å; K364-V367 PolarHBondContact O-N 2.66Å; K364-E368 VanDerWaalsContact O-CG 3.29Å; K364-E368 WeakPolarHBondContact O-CG 3.41Å; K364-E368 PolarHBondContact O-N 3.39Å
365R97.2Very high97.3Very high2 Ų220.5 Ų20.51%0.0089%0.093CC..Hα-helixtrans-61-39.7178-65.3-55.183.174.20.6111.8T206 G207 D208 E361 K362 A363 E368 H369T206-R365 PolarHBondContact O-NH1 2.83Å; G207-R365 VanDerWaalsContact C-CG 3.4Å; D208-R365 WeakPolarHBondContact OD1-CD 3.24Å; D208-R365 WeakPolarHBondContact OD1-CG 3.42Å; E361-R365 WeakPolarHBondContact O-CG 3.22Å; E361-R365 PolarHBondContact O-N 2.7Å; E361-R365 IonicContact OE2-CZ 2.96Å; E361-R365 IonicContact OE2-NH1 3.06Å; E361-R365 PolarHBondContact OE2-NH1 3.19Å; E361-R365 IonicContact OE2-NH2 3.82Å; K362-R365 PolarHBondContact O-N 2.98Å; K362-R365 VanDerWaalsContact O-N 3.16Å; A363-R365 PolarHBondContact O-N 3.09Å; R365-E368 WeakPolarHBondContact CD-OE2 3.4Å; R365-E368 IonicContact CZ-OE1 2.68Å; R365-E368 IonicContact CZ-OE2 3.57Å; R365-E368 VanDerWaalsContact NE-CD 3.28Å; R365-E368 IonicContact NE-OE1 2.72Å; R365-E368 PolarHBondContact NE-OE1 3.22Å; R365-E368 VanDerWaalsContact NE-OE1 3.11Å; R365-E368 IonicContact NE-OE2 2.62Å; R365-E368 PolarHBondContact NE-OE2 2.85Å; R365-E368 IonicContact NH2-OE1 3.66Å; R365-E368 PolarHBondContact NH2-OE1 2.83Å; R365-E368 WeakPolarHBondContact O-CB 3.35Å; R365-E368 PolarHBondContact O-N 3.33Å; R365-H369 PolarHBondContact O-CD2 2.82Å; R365-H369 VanDerWaalsContact O-CD2 3.31Å; R365-H369 PolarHBondContact O-N 3.47Å
366L96.9Very high97.4Very high2 Ų220.5 Ų20.51%0.019%0.093CC..Hα-helixtrans-67.5-39.2176-66.8175.3000112.4N233 F234 V316 M318 K362 A363 K364 E368 H369 K370 K371 V373N233-L366 HydrophobicContact CB-CD2 4.27Å; F234-L366 HydrophobicContact CD2-CD2 4.15Å; F234-L366 HydrophobicContact CE2-CD2 3.9Å; V316-L366 HydrophobicContact CG1-CD1 4.07Å; M318-L366 HydrophobicContact CE-CD1 3.38Å; K362-L366 HydrophobicContact CG-CD1 4.39Å; K362-L366 WeakPolarHBondContact O-CG 3.43Å; K362-L366 PolarHBondContact O-N 3.18Å; A363-L366 PolarHBondContact O-N 2.74Å; K364-L366 VanDerWaalsContact C-N 3.3Å; K364-L366 PolarHBondContact O-N 2.8Å; L366-E368 VanDerWaalsContact C-N 3.32Å; L366-E368 PolarHBondContact O-N 2.99Å; L366-H369 CarbonylContact O-C 3.55Å; L366-H369 WeakPolarHBondContact O-CA 3.39Å; L366-H369 WeakPolarHBondContact O-CB 3.39Å; L366-H369 PolarHBondContact O-N 3.44Å; L366-K370 PolarHBondContact O-N 3.32Å; L366-K371 HydrophobicContact CB-CB 4.15Å; L366-K371 HydrophobicContact CB-CG 4.41Å; L366-K371 VanDerWaalsContact O-CB 3.32Å; L366-K371 WeakPolarHBondContact O-CB 3.22Å; L366-K371 PolarHBondContact O-N 2.98Å; L366-K371 VanDerWaalsContact O-N 3.14Å; L366-V373 HydrophobicContact CB-CG2 3.64Å; L366-V373 HydrophobicContact CD1-CG2 4.19Å
367V97.7Very high97.5Very high1 Ų120.5 Ų20.51%0.0069%0.093CC..Hα-helixtrans-65.4-35.1175.41760000112.1F246 L249 A363 K364 H369 K370 V373 V420 S425 L426F246-V367 HydrophobicContact CD2-CB 4.06Å; F246-V367 HydrophobicContact CD2-CG1 3.99Å; F246-V367 HydrophobicContact CE2-CB 3.98Å; F246-V367 HydrophobicContact CE2-CG1 3.78Å; F246-V367 HydrophobicContact CE2-CG2 4.46Å; L249-V367 HydrophobicContact CD1-CG1 4.22Å; A363-V367 WeakPolarHBondContact O-CG2 3.35Å; A363-V367 PolarHBondContact O-N 2.6Å; K364-V367 PolarHBondContact O-N 2.66Å; V367-H369 PolarHBondContact O-N 3.3Å; V367-H369 VanDerWaalsContact O-N 3.16Å; V367-K370 WeakPolarHBondContact O-CA 3.42Å; V367-K370 PolarHBondContact O-N 3.35Å; V367-V373 HydrophobicContact CG2-CB 4.26Å; V367-V373 HydrophobicContact CG2-CG2 3.86Å; V367-V420 HydrophobicContact CG1-CG2 4Å; V367-S425 VanDerWaalsContact CG2-O 3.3Å; V367-S425 WeakPolarHBondContact CG2-O 3.48Å; V367-L426 HydrophobicContact CG2-CB 4.07Å
368E96.4Very high97.4Very high12 Ų1218.3 Ų18.36%0.0568%0.083CC..Hα-helixtrans-60.4-24.2171.5-66.3164.2179.600112.6R205 K243 F246 K364 R365 L366 K370R205-E368 IonicContact CZ-OE1 3.67Å; R205-E368 IonicContact CZ-OE2 3.86Å; R205-E368 IonicContact NH1-OE1 2.7Å; R205-E368 IonicContact NH2-OE1 3.73Å; R205-E368 PolarHBondContact NH2-OE1 2.97Å; R205-E368 IonicContact NH2-OE2 3.6Å; R205-E368 PolarHBondContact NH2-OE2 3.26Å; K243-E368 HydrophobicContact CD-CB 3.98Å; K243-E368 WeakPolarHBondContact CE-OE2 3.29Å; K243-E368 IonicContact NZ-OE2 3.65Å; K243-E368 PolarHBondContact NZ-OE2 2.71Å; F246-E368 HydrophobicContact CB-CG 3.9Å; F246-E368 VanDerWaalsContact CB-OE1 3.3Å; F246-E368 WeakPolarHBondContact CB-OE1 3.31Å; F246-E368 PolarHBondContact N-OE1 3.06Å; K364-E368 VanDerWaalsContact O-CG 3.29Å; K364-E368 WeakPolarHBondContact O-CG 3.41Å; K364-E368 PolarHBondContact O-N 3.39Å; R365-E368 WeakPolarHBondContact CD-OE2 3.4Å; R365-E368 IonicContact CZ-OE1 2.68Å; R365-E368 IonicContact CZ-OE2 3.57Å; R365-E368 VanDerWaalsContact NE-CD 3.28Å; R365-E368 IonicContact NE-OE1 2.72Å; R365-E368 PolarHBondContact NE-OE1 3.22Å; R365-E368 VanDerWaalsContact NE-OE1 3.11Å; R365-E368 IonicContact NE-OE2 2.62Å; R365-E368 PolarHBondContact NE-OE2 2.85Å; R365-E368 IonicContact NH2-OE1 3.66Å; R365-E368 PolarHBondContact NH2-OE1 2.83Å; R365-E368 WeakPolarHBondContact O-CB 3.35Å; R365-E368 PolarHBondContact O-N 3.33Å; L366-E368 VanDerWaalsContact C-N 3.32Å; L366-E368 PolarHBondContact O-N 2.99Å; E368-K370 VanDerWaalsContact C-N 3.29Å
369H94.2Very high97.2Very high32 Ų3218.1 Ų18.115%0.1488%0.082CC..THydrogen-bonded Turntrans-93.822.7172.2-78.4-90.9000112.7N233 R365 L366 V367 K371N233-H369 PolarHBondContact ND2-CD2 2.63Å; N233-H369 VanDerWaalsContact ND2-CD2 3.29Å; N233-H369 PolarHBondContact ND2-NE2 2.77Å; R365-H369 PolarHBondContact O-CD2 2.82Å; R365-H369 VanDerWaalsContact O-CD2 3.31Å; R365-H369 PolarHBondContact O-N 3.47Å; L366-H369 CarbonylContact O-C 3.55Å; L366-H369 WeakPolarHBondContact O-CA 3.39Å; L366-H369 WeakPolarHBondContact O-CB 3.39Å; L366-H369 PolarHBondContact O-N 3.44Å; V367-H369 PolarHBondContact O-N 3.3Å; V367-H369 VanDerWaalsContact O-N 3.16Å; H369-K371 PolarHBondContact O-N 3.42Å
370K95.8Very high97.1Very high124 Ų12418 Ų1854%0.5398%0.081SC..THydrogen-bonded Turntrans58.725.3176.4-51.5-177.8-174-59.80114.2L366 V367 E368 E422L366-K370 PolarHBondContact O-N 3.32Å; V367-K370 WeakPolarHBondContact O-CA 3.42Å; V367-K370 PolarHBondContact O-N 3.35Å; E368-K370 VanDerWaalsContact C-N 3.29Å; K370-E422 PolarHBondContact NZ-O 3.44Å
371K96.9Very high97.1Very high92 Ų9217.9 Ų17.940%0.48%0.081SC..  trans-82.6145.5173.3-61.3-67.9-173.7170.80110.4V316 L366 H369 V373 G424 S425V316-K371 HydrophobicContact CG2-CB 4.39Å; L366-K371 HydrophobicContact CB-CB 4.15Å; L366-K371 HydrophobicContact CB-CG 4.41Å; L366-K371 VanDerWaalsContact O-CB 3.32Å; L366-K371 WeakPolarHBondContact O-CB 3.22Å; L366-K371 PolarHBondContact O-N 2.98Å; L366-K371 VanDerWaalsContact O-N 3.14Å; H369-K371 PolarHBondContact O-N 3.42Å; K371-V373 HydrophobicContact CB-CG2 4.3Å; K371-G424 WeakPolarHBondContact O-CA 3.27Å; K371-S425 PolarHBondContact O-N 3.42Å
372D98.4Very high97Very high32 Ų3218.7 Ų18.717%0.1718%0.082CC..EExtended strand (participates in β ladder)trans-88.7111.8167.5-70.1-57000109.1R283 C315 V316 G424 S425R283-D372 IonicContact CZ-OD2 2.85Å; R283-D372 IonicContact NH1-OD2 3.53Å; R283-D372 PolarHBondContact NH1-OD2 2.86Å; C315-D372 CarbonylContact C-O 3.48Å; C315-D372 WeakPolarHBondContact CA-O 3.35Å; V316-D372 PolarHBondContact N-O 2.81Å; D372-G424 VanDerWaalsContact OD1-C 3.29Å; D372-S425 VanDerWaalsContact OD1-CB 3.26Å; D372-S425 WeakPolarHBondContact OD1-CB 3.37Å; D372-S425 PolarHBondContact OD1-N 2.88Å; D372-S425 PolarHBondContact OD1-OG 3.25Å
373V98.6Very high96.9Very high0 Ų018 Ų180%08%0.079CC..EExtended strand (participates in β ladder)trans-109.9134.9-176.2-173.40000109.2V316 M318 A363 L366 V367 K371 S425 L426 T427V316-V373 HydrophobicContact CB-CG2 4.37Å; M318-V373 HydrophobicContact CE-CG1 4.24Å; M318-V373 HydrophobicContact SD-CG1 4.05Å; A363-V373 HydrophobicContact CB-CG1 3.81Å; L366-V373 HydrophobicContact CB-CG2 3.64Å; L366-V373 HydrophobicContact CD1-CG2 4.19Å; V367-V373 HydrophobicContact CG2-CB 4.26Å; V367-V373 HydrophobicContact CG2-CG2 3.86Å; K371-V373 HydrophobicContact CB-CG2 4.3Å; V373-S425 PolarHBondContact N-O 2.77Å; V373-L426 HydrophobicContact CB-CD1 4.05Å; V373-L426 HydrophobicContact CG1-CD1 4.14Å; V373-T427 PolarHBondContact O-N 3.37Å
374I98.7Very high96.9Very high1 Ų118.1 Ų18.11%0.0058%0.08CC..EExtended strand (participates in β ladder)trans-122.5120.4176.7-52.5176.4000108.9L258 I308 C315 V316 L317 M318 L376 T427L258-I374 HydrophobicContact CD1-CD1 3.62Å; L258-I374 HydrophobicContact CD1-CG1 4.42Å; I308-I374 HydrophobicContact CD1-CD1 3.8Å; I308-I374 HydrophobicContact CD1-CG2 3.91Å; I308-I374 HydrophobicContact CG1-CD1 4.14Å; I308-I374 HydrophobicContact CG2-CD1 3.69Å; C315-I374 HydrophobicContact CB-CD1 3.74Å; C315-I374 HydrophobicContact CB-CG1 4.24Å; V316-I374 PolarHBondContact O-N 2.99Å; L317-I374 HydrophobicContact CD1-CB 4.38Å; L317-I374 HydrophobicContact CD1-CG2 4.4Å; M318-I374 PolarHBondContact N-O 3.1Å; I374-L376 HydrophobicContact CG2-CD2 4.08Å; I374-T427 CarbonylContact C-O 3.54Å; I374-T427 WeakPolarHBondContact CA-O 3.33Å; I374-T427 HydrophobicContact CG2-CG2 4.19Å
375I98.6Very high96.8Very high0 Ų021.4 Ų21.40%09%0.092CC..EExtended strand (participates in β ladder)trans-103.9119.7172-56.1174.4000109M318 L320 V359 I360 A363 L426 T427 I428 I429M318-I375 HydrophobicContact CB-CG1 4.44Å; M318-I375 CarbonylContact O-C 3.43Å; M318-I375 VanDerWaalsContact O-CA 3.3Å; M318-I375 WeakPolarHBondContact O-CA 3.49Å; L320-I375 HydrophobicContact CB-CG2 4.13Å; V359-I375 HydrophobicContact CG1-CD1 4.16Å; I360-I375 HydrophobicContact CD1-CD1 3.89Å; A363-I375 HydrophobicContact CB-CD1 3.81Å; A363-I375 HydrophobicContact CB-CG1 4.43Å; I375-L426 HydrophobicContact CD1-CD1 4.04Å; I375-L426 HydrophobicContact CG1-CD1 4.22Å; I375-T427 PolarHBondContact N-O 2.89Å; I375-I428 HydrophobicContact CB-CG1 4.2Å; I375-I428 HydrophobicContact CD1-CD1 4.5Å; I375-I428 HydrophobicContact CD1-CG1 4.38Å; I375-I428 WeakPolarHBondContact O-CA 3.3Å; I375-I429 PolarHBondContact O-N 3.26Å
376L98.2Very high96.8Very high1 Ų121.5 Ų21.51%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-96.2112.2167.5-58.5-173.5000108.7L301 I304 A305 L317 M318 V319 L320 I374 I429L301-L376 HydrophobicContact CD1-CB 3.96Å; L301-L376 HydrophobicContact CD1-CD1 4.42Å; L301-L376 HydrophobicContact CD1-CD2 4.17Å; L301-L376 HydrophobicContact CD1-CG 4.41Å; L301-L376 HydrophobicContact CD2-CB 4.2Å; L301-L376 HydrophobicContact CG-CB 4.06Å; L301-L376 HydrophobicContact CG-CD1 4.28Å; I304-L376 HydrophobicContact CG2-CD1 4.29Å; I304-L376 HydrophobicContact CG2-CD2 3.89Å; A305-L376 HydrophobicContact CB-CD1 3.58Å; L317-L376 HydrophobicContact CD1-CD1 3.91Å; L317-L376 HydrophobicContact CD1-CG 4Å; M318-L376 PolarHBondContact O-N 3.36Å; V319-L376 WeakPolarHBondContact CA-O 3.16Å; V319-L376 HydrophobicContact CG1-CB 4.33Å; V319-L376 HydrophobicContact CG2-CB 4.33Å; V319-L376 HydrophobicContact CG2-CD1 4.36Å; L320-L376 PolarHBondContact N-O 2.91Å; I374-L376 HydrophobicContact CG2-CD2 4.08Å; L376-I429 WeakPolarHBondContact CA-O 3.48Å; L376-I429 HydrophobicContact CD2-CB 3.85Å; L376-I429 HydrophobicContact CD2-CG1 4.27Å
377L97.5Very high96.8Very high0 Ų021.5 Ų21.50%09%0.093CC..EExtended strand (participates in β ladder)trans-110.1115.6-174.1171.162.8000111.8L320 I322 I380 L383 F413 I429 A430 T431L320-L377 HydrophobicContact CB-CD1 4.23Å; L320-L377 HydrophobicContact CD2-CD1 3.96Å; L320-L377 HydrophobicContact CG-CD1 3.87Å; L320-L377 WeakPolarHBondContact O-CA 3.35Å; I322-L377 HydrophobicContact CG1-CD1 3.91Å; L377-I380 HydrophobicContact CD2-CB 4.01Å; L377-I380 HydrophobicContact CD2-CG1 4.17Å; L377-L383 HydrophobicContact CD2-CD2 4.08Å; L377-F413 HydrophobicContact CD2-CD1 4.35Å; L377-F413 HydrophobicContact CD2-CE1 3.66Å; L377-F413 HydrophobicContact CD2-CZ 4.29Å; L377-I429 PolarHBondContact N-O 3.11Å; L377-A430 HydrophobicContact CB-CB 3.82Å; L377-A430 HydrophobicContact CD2-CB 4Å; L377-A430 HydrophobicContact CG-CB 4.1Å; L377-A430 CarbonylContact O-C 3.59Å; L377-A430 VanDerWaalsContact O-CA 3.26Å; L377-A430 WeakPolarHBondContact O-CA 3.5Å; L377-T431 PolarHBondContact O-N 3.47Å
378D95.4Very high96.8Very high2 Ų222.9 Ų22.91%0.01110%0.1CC..EExtended strand (participates in β ladder)trans-116.899.6168.9-161.6-14.6000109.2K297 L301 L320 L321 I322 T431K297-D378 VanDerWaalsContact CE-OD1 3.29Å; K297-D378 WeakPolarHBondContact CE-OD1 3.43Å; K297-D378 IonicContact NZ-OD1 3.72Å; K297-D378 IonicContact NZ-OD2 2.81Å; K297-D378 PolarHBondContact NZ-OD2 3.08Å; L301-D378 HydrophobicContact CD2-CB 3.93Å; L320-D378 PolarHBondContact O-N 2.75Å; L320-D378 VanDerWaalsContact O-N 3.08Å; L321-D378 HydrophobicContact CD2-CB 3.99Å; I322-D378 PolarHBondContact N-O 2.88Å; D378-T431 PolarHBondContact OD1-OG1 3.22Å
379S92.2Very high96.7Very high0 Ų027.4 Ų27.40%013%0.128CC..  cis-134.4155.12.168.60000112.9T381 R382 L383 T431S379-T381 VanDerWaalsContact C-N 3.25Å; S379-T381 PolarHBondContact O-N 2.68Å; S379-R382 PolarHBondContact O-N 3.25Å; S379-R382 WeakPolarHBondContact OG-CB 3.39Å; S379-R382 WeakPolarHBondContact OG-CG 3.25Å; S379-R382 PolarHBondContact OG-N 3.3Å; S379-L383 PolarHBondContact O-N 2.99Å; S379-L383 VanDerWaalsContact O-N 3.09Å; S379-T431 WeakPolarHBondContact CA-OG1 3.1Å; S379-T431 WeakPolarHBondContact CB-O 3.5Å; S379-T431 WeakPolarHBondContact CB-OG1 3.46Å
380I96.3Very high96.8Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-66.7-30.3175.6-158.2173.8000112.1L288 L377 L383 A384 F414 A430 T431 A432 F448L288-I380 HydrophobicContact CD2-CD1 4.24Å; L288-I380 HydrophobicContact CD2-CG2 4.1Å; L377-I380 HydrophobicContact CD2-CB 4.01Å; L377-I380 HydrophobicContact CD2-CG1 4.17Å; I380-L383 PolarHBondContact O-N 2.83Å; I380-A384 WeakPolarHBondContact O-CB 3.45Å; I380-A384 PolarHBondContact O-N 3.35Å; I380-F414 HydrophobicContact CD1-CB 3.76Å; I380-F414 HydrophobicContact CD1-CD1 4.1Å; I380-F414 HydrophobicContact CD1-CD2 3.78Å; I380-F414 HydrophobicContact CD1-CE2 4.4Å; I380-F414 HydrophobicContact CD1-CG 3.62Å; I380-A430 HydrophobicContact CB-CB 3.89Å; I380-A430 HydrophobicContact CD1-CB 4.39Å; I380-A430 HydrophobicContact CG2-CB 4.36Å; I380-T431 WeakPolarHBondContact CG2-O 3.39Å; I380-T431 PolarHBondContact N-O 2.93Å; I380-A432 HydrophobicContact CG2-CB 4.04Å; I380-F448 HydrophobicContact CD1-CD1 3.62Å; I380-F448 HydrophobicContact CD1-CD2 3.96Å; I380-F448 HydrophobicContact CD1-CE1 3.46Å; I380-F448 VanDerWaalsContact CD1-CE1 3.46Å; I380-F448 HydrophobicContact CD1-CE2 3.8Å; I380-F448 HydrophobicContact CD1-CG 3.85Å; I380-F448 HydrophobicContact CD1-CZ 3.52Å; I380-F448 HydrophobicContact CG1-CD2 4.17Å; I380-F448 HydrophobicContact CG1-CE1 4.04Å; I380-F448 HydrophobicContact CG1-CE2 3.65Å; I380-F448 HydrophobicContact CG1-CZ 3.55Å; I380-F448 HydrophobicContact CG2-CD2 4.22Å; I380-F448 HydrophobicContact CG2-CE2 4.32Å
381T96.6Very high96.7Very high0 Ų024.6 Ų24.60%012%0.124CC..Hα-helixtrans-64.3-47.5176.8-54.90000111S379 A384 R385 L433 D441 I444S379-T381 VanDerWaalsContact C-N 3.25Å; S379-T381 PolarHBondContact O-N 2.68Å; T381-A384 PolarHBondContact O-N 3.5Å; T381-R385 WeakPolarHBondContact O-CG 3.35Å; T381-R385 PolarHBondContact O-N 2.82Å; T381-L433 HydrophobicContact CG2-CB 4.25Å; T381-L433 PolarHBondContact OG1-N 2.57Å; T381-D441 HydrophobicContact CG2-CB 4.12Å; T381-D441 VanDerWaalsContact CG2-OD1 3.29Å; T381-D441 WeakPolarHBondContact CG2-OD1 3.31Å; T381-I444 HydrophobicContact CG2-CD1 4.4Å; T381-I444 HydrophobicContact CG2-CG2 4.45Å
382R96.2Very high96.6Very high57 Ų5725.4 Ų25.422%0.21514%0.139CC..Hα-helixtrans-65.9-39.5177.2-70.3175.8-174.1-81.613.1112.1I322 D323 S379 A384 R385 A386I322-R382 HydrophobicContact CG2-CB 4.34Å; I322-R382 VanDerWaalsContact O-CD 3.22Å; I322-R382 WeakPolarHBondContact O-CD 3.31Å; D323-R382 HydrophobicContact CB-CB 4.06Å; D323-R382 HydrophobicContact CB-CG 4.33Å; D323-R382 VanDerWaalsContact O-CD 3.25Å; D323-R382 WeakPolarHBondContact O-CD 3.28Å; D323-R382 VanDerWaalsContact O-CZ 3.25Å; D323-R382 PolarHBondContact O-NE 3.14Å; D323-R382 PolarHBondContact O-NH1 3.25Å; D323-R382 WeakPolarHBondContact OD2-CD 3.26Å; D323-R382 IonicContact OD2-CZ 3.3Å; D323-R382 IonicContact OD2-NH1 3.88Å; D323-R382 PolarHBondContact OD2-NH1 3.04Å; S379-R382 PolarHBondContact O-N 3.25Å; S379-R382 WeakPolarHBondContact OG-CB 3.39Å; S379-R382 WeakPolarHBondContact OG-CG 3.25Å; S379-R382 PolarHBondContact OG-N 3.3Å; R382-A384 PolarHBondContact O-N 3.02Å; R382-R385 WeakPolarHBondContact O-CB 3.25Å; R382-R385 PolarHBondContact O-N 2.93Å; R382-A386 PolarHBondContact O-N 3.35Å
383L97.4Very high96.3Very high0 Ų028.4 Ų28.40%017%0.168CC..Hα-helixtrans-60-46.5173.6-177.760000111.5I322 A356 L377 S379 I380 R385 A386 Y387 F413I322-L383 HydrophobicContact CG2-CB 4.31Å; I322-L383 HydrophobicContact CG2-CD1 4.5Å; A356-L383 HydrophobicContact CB-CD1 3.66Å; A356-L383 HydrophobicContact CB-CD2 4.14Å; L377-L383 HydrophobicContact CD2-CD2 4.08Å; S379-L383 PolarHBondContact O-N 2.99Å; S379-L383 VanDerWaalsContact O-N 3.09Å; I380-L383 PolarHBondContact O-N 2.83Å; L383-R385 VanDerWaalsContact C-N 3.34Å; L383-R385 PolarHBondContact O-N 3.24Å; L383-A386 WeakPolarHBondContact O-CB 3.44Å; L383-A386 PolarHBondContact O-N 3.34Å; L383-A386 VanDerWaalsContact O-N 3.15Å; L383-Y387 HydrophobicContact CD1-CD2 3.94Å; L383-Y387 HydrophobicContact CD1-CE2 3.53Å; L383-Y387 HydrophobicContact CD2-CE2 4.16Å; L383-Y387 HydrophobicContact CG-CD2 3.9Å; L383-Y387 HydrophobicContact CG-CE2 3.63Å; L383-Y387 VanDerWaalsContact O-CD2 3.22Å; L383-Y387 WeakPolarHBondContact O-CD2 3.39Å; L383-Y387 PolarHBondContact O-N 2.9Å; L383-F413 HydrophobicContact CD2-CD1 4.16Å; L383-F413 HydrophobicContact CD2-CD2 4.31Å; L383-F413 HydrophobicContact CD2-CE1 4.33Å; L383-F413 HydrophobicContact CD2-CE2 4.42Å; L383-F413 HydrophobicContact CD2-CG 4.19Å; L383-F413 HydrophobicContact CD2-CZ 4.46Å
384A97.3Very high96Very high1 Ų130.5 Ų30.51%0.00818%0.183CC..Hα-helixtrans-62.7-38.5177.200000112.8I380 T381 R382 Y387 N388 L407 P410 I444 F448I380-A384 WeakPolarHBondContact O-CB 3.45Å; I380-A384 PolarHBondContact O-N 3.35Å; T381-A384 PolarHBondContact O-N 3.5Å; R382-A384 PolarHBondContact O-N 3.02Å; A384-Y387 PolarHBondContact O-N 3.26Å; A384-N388 WeakPolarHBondContact O-CB 3.5Å; A384-N388 PolarHBondContact O-N 2.91Å; A384-L407 HydrophobicContact CB-CD2 4.36Å; A384-P410 HydrophobicContact CB-CB 4.2Å; A384-P410 HydrophobicContact CB-CG 4.13Å; A384-I444 HydrophobicContact CB-CD1 4.02Å; A384-I444 HydrophobicContact CB-CG1 4.21Å; A384-I444 HydrophobicContact CB-CG2 3.86Å; A384-F448 HydrophobicContact CB-CE2 3.94Å; A384-F448 HydrophobicContact CB-CZ 4.33Å
385R96.8Very high95.7Very high90 Ų9034 Ų3434%0.3422%0.219SC..Hα-helixtrans-59.9-44.9171.1-72.3175.3170.4-141.94.3111.5T381 R382 L383 Y387 N388 T389 M440 D441 I444T381-R385 WeakPolarHBondContact O-CG 3.35Å; T381-R385 PolarHBondContact O-N 2.82Å; R382-R385 WeakPolarHBondContact O-CB 3.25Å; R382-R385 PolarHBondContact O-N 2.93Å; L383-R385 VanDerWaalsContact C-N 3.34Å; L383-R385 PolarHBondContact O-N 3.24Å; R385-Y387 PolarHBondContact O-N 2.84Å; R385-N388 WeakPolarHBondContact O-CB 3.37Å; R385-N388 PolarHBondContact O-N 3.42Å; R385-N388 VanDerWaalsContact O-N 3.15Å; R385-T389 PolarHBondContact O-N 2.99Å; R385-T389 PolarHBondContact O-OG1 3.38Å; R385-M440 HydrophobicContact CG-SD 3.98Å; R385-D441 IonicContact CZ-OD1 3.33Å; R385-D441 IonicContact CZ-OD2 2.74Å; R385-D441 IonicContact NE-OD1 3.39Å; R385-D441 PolarHBondContact NE-OD1 3.03Å; R385-D441 IonicContact NH2-OD1 2.66Å; R385-D441 PolarHBondContact NH2-OD1 3.36Å; R385-D441 IonicContact NH2-OD2 2.8Å; R385-D441 PolarHBondContact NH2-OD2 3.23Å; R385-I444 HydrophobicContact CG-CD1 4.09Å
386A97.1Very high95.4Very high4 Ų441.4 Ų41.43%0.03325%0.251CS..Hα-helixtrans-60.1-45.517700000111.8A349 H352 V353 R382 L383 N388 T389 V390A349-A386 HydrophobicContact CB-CB 3.98Å; H352-A386 HydrophobicContact CB-CB 4Å; V353-A386 HydrophobicContact CG2-CB 4.17Å; R382-A386 PolarHBondContact O-N 3.35Å; L383-A386 WeakPolarHBondContact O-CB 3.44Å; L383-A386 PolarHBondContact O-N 3.34Å; L383-A386 VanDerWaalsContact O-N 3.15Å; A386-N388 VanDerWaalsContact C-N 3.31Å; A386-N388 PolarHBondContact O-N 3.19Å; A386-T389 PolarHBondContact O-N 2.93Å; A386-T389 VanDerWaalsContact O-N 3.15Å; A386-V390 WeakPolarHBondContact O-CG1 3.3Å; A386-V390 WeakPolarHBondContact O-CG2 3.5Å; A386-V390 PolarHBondContact O-N 2.87Å; A386-V390 VanDerWaalsContact O-N 3.1Å
387Y97.1Very high95.1Very high3 Ų346.6 Ų46.61%0.01228%0.282CS..Hα-helixtrans-59.4-39.8173.8-81.9-74.3000112.9V353 E357 L383 A384 R385 T389 V390 V391 R409 P410V353-Y387 HydrophobicContact CB-CE1 4.25Å; V353-Y387 HydrophobicContact CG1-CD1 4.02Å; V353-Y387 HydrophobicContact CG1-CE1 3.4Å; V353-Y387 VanDerWaalsContact CG1-CE1 3.4Å; V353-Y387 HydrophobicContact CG2-CD1 3.79Å; V353-Y387 HydrophobicContact CG2-CD2 4.12Å; V353-Y387 HydrophobicContact CG2-CE1 3.88Å; V353-Y387 HydrophobicContact CG2-CE2 4.23Å; V353-Y387 HydrophobicContact CG2-CG 3.93Å; E357-Y387 PolarHBondContact OE1-OH 2.83Å; L383-Y387 HydrophobicContact CD1-CD2 3.94Å; L383-Y387 HydrophobicContact CD1-CE2 3.53Å; L383-Y387 HydrophobicContact CD2-CE2 4.16Å; L383-Y387 HydrophobicContact CG-CD2 3.9Å; L383-Y387 HydrophobicContact CG-CE2 3.63Å; L383-Y387 VanDerWaalsContact O-CD2 3.22Å; L383-Y387 WeakPolarHBondContact O-CD2 3.39Å; L383-Y387 PolarHBondContact O-N 2.9Å; A384-Y387 PolarHBondContact O-N 3.26Å; R385-Y387 PolarHBondContact O-N 2.84Å; Y387-T389 VanDerWaalsContact C-N 3.31Å; Y387-T389 PolarHBondContact O-N 2.91Å; Y387-V390 WeakPolarHBondContact O-CG2 3.44Å; Y387-V390 PolarHBondContact O-N 3.08Å; Y387-V391 WeakPolarHBondContact O-CB 3.26Å; Y387-V391 PolarHBondContact O-N 3.46Å; Y387-R409 HydrophobicContact CD1-CB 3.7Å; Y387-R409 HydrophobicContact CD1-CG 4.4Å; Y387-R409 HydrophobicContact CE1-CB 3.51Å; Y387-R409 HydrophobicContact CE1-CG 4.25Å; Y387-R409 HydrophobicContact CG-CB 4.37Å; Y387-P410 HydrophobicContact CD2-CB 4.27Å; Y387-P410 HydrophobicContact CD2-CG 3.51Å; Y387-P410 HydrophobicContact CE2-CG 4.23Å; Y387-P410 HydrophobicContact CG-CG 3.77Å
388N96.8Very high94.8Very high30 Ų3050.6 Ų50.616%0.1630%0.304CS..Hα-helixtrans-64.5-34.1176.1-170.563.5000112.7A384 R385 A386 G401 V402 D403 A406A384-N388 WeakPolarHBondContact O-CB 3.5Å; A384-N388 PolarHBondContact O-N 2.91Å; R385-N388 WeakPolarHBondContact O-CB 3.37Å; R385-N388 PolarHBondContact O-N 3.42Å; R385-N388 VanDerWaalsContact O-N 3.15Å; A386-N388 VanDerWaalsContact C-N 3.31Å; A386-N388 PolarHBondContact O-N 3.19Å; N388-G401 PolarHBondContact ND2-O 2.84Å; N388-V402 WeakPolarHBondContact OD1-CA 3.4Å; N388-D403 PolarHBondContact OD1-N 2.89Å; N388-A406 HydrophobicContact CB-CB 3.82Å; N388-A406 WeakPolarHBondContact OD1-CB 3.37Å
389T95.8Very high94.5Very high106 Ų10655.4 Ų55.465%0.6533%0.333SS*.Hα-helixtrans-73.6-34.8176.6-58.50000112.8A349 R385 A386 Y387A349-T389 HydrophobicContact CB-CG2 4.15Å; R385-T389 PolarHBondContact O-N 2.99Å; R385-T389 PolarHBondContact O-OG1 3.38Å; A386-T389 PolarHBondContact O-N 2.93Å; A386-T389 VanDerWaalsContact O-N 3.15Å; Y387-T389 VanDerWaalsContact C-N 3.31Å; Y387-T389 PolarHBondContact O-N 2.91Å
390V95.2Very high94.4Very high56 Ų5656.8 Ų56.834%0.33935%0.347SS..Hα-helixtrans-91-17.8-174.8-57.10000114.2A349 V353 A386 Y387A349-V390 HydrophobicContact CB-CG1 3.96Å; V353-V390 HydrophobicContact CG2-CG2 3.96Å; A386-V390 WeakPolarHBondContact O-CG1 3.3Å; A386-V390 WeakPolarHBondContact O-CG2 3.5Å; A386-V390 PolarHBondContact O-N 2.87Å; A386-V390 VanDerWaalsContact O-N 3.1Å; Y387-V390 WeakPolarHBondContact O-CG2 3.44Å; Y387-V390 PolarHBondContact O-N 3.08Å
391V94.5Very high94.2Very high42 Ų4258.6 Ų58.626%0.25537%0.366SS..SBendtrans-69.5135.8-178.769.50000110.1Y387 A393 D403 N405 A406Y387-V391 WeakPolarHBondContact O-CB 3.26Å; Y387-V391 PolarHBondContact O-N 3.46Å; V391-A393 PolarHBondContact O-N 3.3Å; V391-D403 HydrophobicContact CG1-CB 4.08Å; V391-N405 HydrophobicContact CG2-CB 4.35Å; V391-A406 HydrophobicContact CG1-CB 4.07Å
392P93.9Very high94Very high109 Ų10958.6 Ų58.671%0.70837%0.366SS*.PPolyproline II helixtrans-58.5135.4170-23.834.2000110.7S394P392-S394 PolarHBondContact O-N 3.21Å
393A93Very high94Very high94 Ų9456.6 Ų56.678%0.77736%0.359SS*.PPolyproline II helixtrans-58.8125.1-177.800000111.5V391 G395V391-A393 PolarHBondContact O-N 3.3Å; A393-G395 VanDerWaalsContact C-N 3.33Å
394S92.2Very high93.7Very high45 Ų4558.6 Ų58.632%0.31538%0.376SS..  trans-82.2-12.9178.868.80000113.6P392 K396 D403 N405P392-S394 PolarHBondContact O-N 3.21Å; S394-K396 VanDerWaalsContact C-N 3.25Å; S394-K396 PolarHBondContact OG-N 3.47Å; S394-K396 VanDerWaalsContact OG-N 3.11Å; S394-K396 PolarHBondContact OG-O 3.47Å; S394-D403 WeakPolarHBondContact CB-OD1 3.3Å; S394-D403 WeakPolarHBondContact CB-OD2 3.22Å; S394-D403 PolarHBondContact N-OD2 2.99Å; S394-D403 PolarHBondContact OG-OD1 2.81Å; S394-D403 PolarHBondContact OG-OD2 3.17Å; S394-N405 WeakPolarHBondContact CB-ND2 3.36Å
395G91.6Very high93.5Very high75 Ų7563.1 Ų63.177%0.77340%0.4SS*.SBendtrans79.50.3-168.500000114.1A393A393-G395 VanDerWaalsContact C-N 3.33Å
396K93Very high93.3Very high155 Ų15559 Ų5967%0.67439%0.385SS*.  trans-122.7111.2178.8-63.3178.3-175.2175.80110.4S394 A404S394-K396 VanDerWaalsContact C-N 3.25Å; S394-K396 PolarHBondContact OG-N 3.47Å; S394-K396 VanDerWaalsContact OG-N 3.11Å; S394-K396 PolarHBondContact OG-O 3.47Å; K396-A404 HydrophobicContact CB-CB 3.96Å; K396-A404 PolarHBondContact O-N 3.04Å
397V92.1Very high93.2Very high109 Ų10959.2 Ų59.266%0.66139%0.386SS*.EExtended strand (participates in β ladder)trans-108.2124.5-179.7-176.20000109.4
398L90.6Very high93Very high85 Ų8564.3 Ų64.345%0.44541%0.409SS..EExtended strand (participates in β ladder)trans-78.6170.7174.8-56.1176.9000110.7G400 G401 V402 A404L398-G400 PolarHBondContact O-N 3.39Å; L398-G401 PolarHBondContact O-N 3.43Å; L398-G401 VanDerWaalsContact O-N 3.17Å; L398-V402 WeakPolarHBondContact CB-O 3.38Å; L398-V402 PolarHBondContact N-O 3.48Å; L398-A404 HydrophobicContact CG-CB 4.49Å
399T89.1Confident93Very high102 Ų10268.1 Ų68.163%0.62642%0.421SS*.G310 helixtrans-49.3138.6171-53.70000110.8G401 V443T399-G401 VanDerWaalsContact C-N 3.33Å; T399-G401 PolarHBondContact O-N 2.91Å; T399-V443 HydrophobicContact CG2-CG2 4.43Å
400G89.7Confident92.9Very high29 Ų2963.1 Ų63.130%0.29939%0.391SS..G310 helixtrans82.62.2-18000000115.2L398 M440L398-G400 PolarHBondContact O-N 3.39Å; G400-M440 WeakPolarHBondContact O-CB 3.42Å; G400-M440 VanDerWaalsContact O-CE 3.25Å; G400-M440 WeakPolarHBondContact O-CE 3.25Å
401G91.8Very high93Very high38 Ų3863.7 Ų63.739%0.39239%0.389SS..G310 helixtrans84.122.8176.100000114.1N388 L398 T399 M440N388-G401 PolarHBondContact ND2-O 2.84Å; L398-G401 PolarHBondContact O-N 3.43Å; L398-G401 VanDerWaalsContact O-N 3.17Å; T399-G401 VanDerWaalsContact C-N 3.33Å; T399-G401 PolarHBondContact O-N 2.91Å; G401-M440 WeakPolarHBondContact O-CE 3.24Å
402V93.8Very high93Very high1 Ų169.5 Ų69.51%0.00641%0.406CS..EExtended strand (participates in β ladder)trans-92.5126.1178.2-175.10000109.2N388 L398 A406 L407 M440 V443N388-V402 WeakPolarHBondContact OD1-CA 3.4Å; L398-V402 WeakPolarHBondContact CB-O 3.38Å; L398-V402 PolarHBondContact N-O 3.48Å; V402-A406 HydrophobicContact CG1-CB 3.99Å; V402-L407 HydrophobicContact CG1-CD1 4.01Å; V402-L407 HydrophobicContact CG1-CD2 3.92Å; V402-L407 HydrophobicContact CG1-CG 3.7Å; V402-M440 HydrophobicContact CG2-CE 4.41Å; V402-M440 HydrophobicContact CG2-CG 3.63Å; V402-V443 HydrophobicContact CG2-CG1 4.41Å
403D94.6Very high93.2Very high14 Ų1464.6 Ų64.68%0.07537%0.374CS..EExtended strand (participates in β ladder)trans-65141.5173.7-174.9-78.1000110.3N388 V391 S394 N405 A406N388-D403 PolarHBondContact OD1-N 2.89Å; V391-D403 HydrophobicContact CG1-CB 4.08Å; S394-D403 WeakPolarHBondContact CB-OD1 3.3Å; S394-D403 WeakPolarHBondContact CB-OD2 3.22Å; S394-D403 PolarHBondContact N-OD2 2.99Å; S394-D403 PolarHBondContact OG-OD1 2.81Å; S394-D403 PolarHBondContact OG-OD2 3.17Å; D403-N405 PolarHBondContact O-N 2.8Å; D403-N405 WeakPolarHBondContact OD1-CB 3.35Å; D403-N405 PolarHBondContact OD1-N 2.82Å; D403-A406 HydrophobicContact CB-CB 4.07Å; D403-A406 VanDerWaalsContact O-CB 3.3Å; D403-A406 WeakPolarHBondContact O-CB 3.1Å; D403-A406 PolarHBondContact O-N 3.2Å
404A91.3Very high93.4Very high42 Ų4260.1 Ų60.135%0.34734%0.337SS..THydrogen-bonded Turntrans-55.7-26.6-17800000113.9K396 L398K396-A404 HydrophobicContact CB-CB 3.96Å; K396-A404 PolarHBondContact O-N 3.04Å; L398-A404 HydrophobicContact CG-CB 4.49Å
405N93Very high93.6Very high97 Ų9759 Ų5952%0.51933%0.332SS..THydrogen-bonded Turntrans-95.7-11.6178.2-65.9-30.9000113.6V391 S394 D403 L407 H408V391-N405 HydrophobicContact CG2-CB 4.35Å; S394-N405 WeakPolarHBondContact CB-ND2 3.36Å; D403-N405 PolarHBondContact O-N 2.8Å; D403-N405 WeakPolarHBondContact OD1-CB 3.35Å; D403-N405 PolarHBondContact OD1-N 2.82Å; N405-L407 VanDerWaalsContact C-N 3.34Å; N405-L407 PolarHBondContact O-N 3.06Å; N405-H408 PolarHBondContact O-N 2.82Å
406A93.5Very high93.9Very high2 Ų255.6 Ų55.62%0.01730%0.296CS..THydrogen-bonded Turntrans-62.6-37.5-172.500000113.3N388 V391 V402 D403 H408 P410N388-A406 HydrophobicContact CB-CB 3.82Å; N388-A406 WeakPolarHBondContact OD1-CB 3.37Å; V391-A406 HydrophobicContact CG1-CB 4.07Å; V402-A406 HydrophobicContact CG1-CB 3.99Å; D403-A406 HydrophobicContact CB-CB 4.07Å; D403-A406 VanDerWaalsContact O-CB 3.3Å; D403-A406 WeakPolarHBondContact O-CB 3.1Å; D403-A406 PolarHBondContact O-N 3.2Å; A406-H408 VanDerWaalsContact C-N 3.33Å; A406-H408 PolarHBondContact O-N 3.23Å; A406-P410 WeakPolarHBondContact O-CD 3.37Å; A406-P410 WeakPolarHBondContact O-CG 3.4Å
407L93.7Very high94.1Very high10 Ų1048.2 Ų48.25%0.05226%0.264CS..THydrogen-bonded Turntrans-81.7-8-174.7-59.1-179.6000113.8A384 V402 N405 K411 I444 E447A384-L407 HydrophobicContact CB-CD2 4.36Å; V402-L407 HydrophobicContact CG1-CD1 4.01Å; V402-L407 HydrophobicContact CG1-CD2 3.92Å; V402-L407 HydrophobicContact CG1-CG 3.7Å; N405-L407 VanDerWaalsContact C-N 3.34Å; N405-L407 PolarHBondContact O-N 3.06Å; L407-K411 VanDerWaalsContact O-CB 3.3Å; L407-K411 WeakPolarHBondContact O-CB 3.39Å; L407-K411 WeakPolarHBondContact O-CE 3.07Å; L407-K411 VanDerWaalsContact O-CG 3.27Å; L407-K411 WeakPolarHBondContact O-CG 3.49Å; L407-K411 PolarHBondContact O-N 3.49Å; L407-K411 VanDerWaalsContact O-N 3.09Å; L407-I444 HydrophobicContact CD2-CG1 4.1Å; L407-E447 HydrophobicContact CB-CG 4.34Å; L407-E447 HydrophobicContact CD1-CB 3.95Å; L407-E447 HydrophobicContact CD1-CG 3.8Å
408H94.2Very high94.4Very high110 Ų11046 Ų4651%0.50924%0.244SC..Hα-helixtrans-64.7-48.8-178.4176.4-110.9000112.7N405 A406 K411 R412N405-H408 PolarHBondContact O-N 2.82Å; A406-H408 VanDerWaalsContact C-N 3.33Å; A406-H408 PolarHBondContact O-N 3.23Å; H408-K411 PolarHBondContact O-N 2.79Å; H408-R412 WeakPolarHBondContact O-CG 3.27Å; H408-R412 PolarHBondContact O-N 2.92Å; H408-R412 VanDerWaalsContact O-N 3.08Å
409R95.3Very high94.8Very high109 Ų10942.4 Ų42.441%0.41123%0.225SC..Hα-helixtrans-68.8-46.7-179.7-63.1-175.369.3-175.95113.2E357 Y387 K411 R412 F413E357-R409 IonicContact OE1-CZ 3.31Å; E357-R409 IonicContact OE1-NE 2.75Å; E357-R409 PolarHBondContact OE1-NE 2.98Å; E357-R409 IonicContact OE1-NH2 2.91Å; E357-R409 PolarHBondContact OE1-NH2 2.88Å; E357-R409 IonicContact OE2-NH2 3.17Å; Y387-R409 HydrophobicContact CD1-CB 3.7Å; Y387-R409 HydrophobicContact CD1-CG 4.4Å; Y387-R409 HydrophobicContact CE1-CB 3.51Å; Y387-R409 HydrophobicContact CE1-CG 4.25Å; Y387-R409 HydrophobicContact CG-CB 4.37Å; R409-K411 VanDerWaalsContact C-N 3.28Å; R409-K411 PolarHBondContact O-N 3.49Å; R409-R412 WeakPolarHBondContact O-CB 3.45Å; R409-R412 PolarHBondContact O-N 3.06Å; R409-F413 PolarHBondContact O-N 3.08Å
410P95.5Very high95.2Very high1 Ų137.8 Ų37.81%0.00620%0.197CC..Hα-helixtrans-56.1-40.4172.9-19.825.7000113.1A384 Y387 A406 R412 F413 F414 F448A384-P410 HydrophobicContact CB-CB 4.2Å; A384-P410 HydrophobicContact CB-CG 4.13Å; Y387-P410 HydrophobicContact CD2-CB 4.27Å; Y387-P410 HydrophobicContact CD2-CG 3.51Å; Y387-P410 HydrophobicContact CE2-CG 4.23Å; Y387-P410 HydrophobicContact CG-CG 3.77Å; A406-P410 WeakPolarHBondContact O-CD 3.37Å; A406-P410 WeakPolarHBondContact O-CG 3.4Å; P410-R412 PolarHBondContact O-N 3.26Å; P410-F413 WeakPolarHBondContact O-CB 3.39Å; P410-F413 PolarHBondContact O-N 2.98Å; P410-F414 PolarHBondContact O-N 3.28Å; P410-F448 HydrophobicContact CB-CE1 4.06Å; P410-F448 HydrophobicContact CB-CE2 4.43Å; P410-F448 HydrophobicContact CB-CZ 3.42Å; P410-F448 VanDerWaalsContact CB-CZ 3.42Å
411K95.6Very high95.6Very high68 Ų6842.6 Ų42.630%0.29621%0.212SC..Hα-helixtrans-61.8-41.4173.7-81.8-169.4-65.4-170.30112.9L407 H408 R409 F413 F414 G415 E447 F448L407-K411 VanDerWaalsContact O-CB 3.3Å; L407-K411 WeakPolarHBondContact O-CB 3.39Å; L407-K411 WeakPolarHBondContact O-CE 3.07Å; L407-K411 VanDerWaalsContact O-CG 3.27Å; L407-K411 WeakPolarHBondContact O-CG 3.49Å; L407-K411 PolarHBondContact O-N 3.49Å; L407-K411 VanDerWaalsContact O-N 3.09Å; H408-K411 PolarHBondContact O-N 2.79Å; R409-K411 VanDerWaalsContact C-N 3.28Å; R409-K411 PolarHBondContact O-N 3.49Å; K411-F413 VanDerWaalsContact C-N 3.35Å; K411-F414 PolarHBondContact O-N 3.09Å; K411-G415 WeakPolarHBondContact O-CA 3.31Å; K411-G415 PolarHBondContact O-N 2.84Å; K411-E447 HydrophobicContact CD-CG 3.87Å; K411-E447 VanDerWaalsContact CD-OE1 3.29Å; K411-E447 WeakPolarHBondContact CD-OE1 3.2Å; K411-E447 VanDerWaalsContact CE-OE1 3.31Å; K411-E447 WeakPolarHBondContact CE-OE1 3.36Å; K411-E447 HydrophobicContact CG-CG 4.27Å; K411-E447 IonicContact NZ-OE1 3.47Å; K411-E447 PolarHBondContact NZ-OE1 3.44Å; K411-F448 HydrophobicContact CG-CE1 4.3Å
412R95.6Very high95.8Very high165 Ų16543.4 Ų43.462%0.62321%0.205SC*.Hα-helixtrans-65.2-38.3175.3-74-172.967.3-161.60.5112.2H408 R409 P410 A416H408-R412 WeakPolarHBondContact O-CG 3.27Å; H408-R412 PolarHBondContact O-N 2.92Å; H408-R412 VanDerWaalsContact O-N 3.08Å; R409-R412 WeakPolarHBondContact O-CB 3.45Å; R409-R412 PolarHBondContact O-N 3.06Å; P410-R412 PolarHBondContact O-N 3.26Å; R412-A416 PolarHBondContact O-N 3.34Å
413F97.5Very high95.8Very high6 Ų644.5 Ų44.53%0.02622%0.216CC..Hα-helixtrans-59.1-55.4173.9178.7-78.1000110.3L320 A356 I360 L377 L383 R409 P410 K411 A416 I428L320-F413 HydrophobicContact CD2-CE2 4.24Å; L320-F413 HydrophobicContact CD2-CZ 3.89Å; A356-F413 HydrophobicContact CB-CD2 4.43Å; A356-F413 HydrophobicContact CB-CE2 4.01Å; A356-F413 WeakPolarHBondContact O-CE2 3.22Å; I360-F413 HydrophobicContact CB-CD2 3.77Å; I360-F413 HydrophobicContact CB-CE2 3.64Å; I360-F413 HydrophobicContact CD1-CD2 4.43Å; I360-F413 HydrophobicContact CD1-CE2 4.3Å; I360-F413 HydrophobicContact CD1-CZ 4.48Å; I360-F413 HydrophobicContact CG1-CD2 4.04Å; I360-F413 HydrophobicContact CG1-CE2 4.18Å; I360-F413 HydrophobicContact CG2-CD2 3.97Å; I360-F413 HydrophobicContact CG2-CE2 4.2Å; L377-F413 HydrophobicContact CD2-CD1 4.35Å; L377-F413 HydrophobicContact CD2-CE1 3.66Å; L377-F413 HydrophobicContact CD2-CZ 4.29Å; L383-F413 HydrophobicContact CD2-CD1 4.16Å; L383-F413 HydrophobicContact CD2-CD2 4.31Å; L383-F413 HydrophobicContact CD2-CE1 4.33Å; L383-F413 HydrophobicContact CD2-CE2 4.42Å; L383-F413 HydrophobicContact CD2-CG 4.19Å; L383-F413 HydrophobicContact CD2-CZ 4.46Å; R409-F413 PolarHBondContact O-N 3.08Å; P410-F413 WeakPolarHBondContact O-CB 3.39Å; P410-F413 PolarHBondContact O-N 2.98Å; K411-F413 VanDerWaalsContact C-N 3.35Å; F413-A416 VanDerWaalsContact O-CB 3.22Å; F413-A416 WeakPolarHBondContact O-CB 3.39Å; F413-A416 PolarHBondContact O-N 3.09Å; F413-I428 HydrophobicContact CE1-CD1 4.2Å; F413-I428 WeakPolarHBondContact O-CD1 3.48Å
414F97.5Very high95.9Very high0 Ų044.3 Ų44.30%022%0.218CC..Hα-helixtrans-68-41.5-177.3-170.3-130000112.2R286 L288 I380 P410 K411 A416 A417 I428 A430 F448 T451R286-F414 HydrophobicContact CB-CZ 4.39Å; R286-F414 WeakPolarHBondContact CD-O 3.5Å; R286-F414 HydrophobicContact CG-CD1 3.82Å; R286-F414 HydrophobicContact CG-CD2 3.88Å; R286-F414 HydrophobicContact CG-CE1 3.5Å; R286-F414 HydrophobicContact CG-CE2 3.55Å; R286-F414 HydrophobicContact CG-CG 4Å; R286-F414 HydrophobicContact CG-CZ 3.34Å; R286-F414 WeakPolarHBondContact CG-O 2.97Å; L288-F414 HydrophobicContact CD1-CE1 4.19Å; L288-F414 HydrophobicContact CD1-CZ 4.37Å; L288-F414 HydrophobicContact CD2-CE1 3.86Å; L288-F414 HydrophobicContact CD2-CE2 3.93Å; L288-F414 HydrophobicContact CD2-CZ 3.45Å; L288-F414 VanDerWaalsContact CD2-CZ 3.45Å; L288-F414 HydrophobicContact CG-CE1 3.9Å; L288-F414 HydrophobicContact CG-CE2 4.48Å; L288-F414 HydrophobicContact CG-CZ 3.58Å; I380-F414 HydrophobicContact CD1-CB 3.76Å; I380-F414 HydrophobicContact CD1-CD1 4.1Å; I380-F414 HydrophobicContact CD1-CD2 3.78Å; I380-F414 HydrophobicContact CD1-CE2 4.4Å; I380-F414 HydrophobicContact CD1-CG 3.62Å; P410-F414 PolarHBondContact O-N 3.28Å; K411-F414 PolarHBondContact O-N 3.09Å; F414-A416 PolarHBondContact O-N 3.33Å; F414-A417 WeakPolarHBondContact O-CB 3.44Å; F414-A417 PolarHBondContact O-N 3.49Å; F414-A417 VanDerWaalsContact O-N 3.17Å; F414-I428 HydrophobicContact CD2-CB 4.37Å; F414-I428 HydrophobicContact CD2-CG2 3.89Å; F414-I428 HydrophobicContact CE2-CB 4.46Å; F414-I428 HydrophobicContact CE2-CG2 4.09Å; F414-A430 HydrophobicContact CE2-CB 4.37Å; F414-F448 HydrophobicContact CB-CD1 4.3Å; F414-F448 HydrophobicContact CB-CE1 4.09Å; F414-F448 AromaticContact CD1-CD1 3.93Å; F414-F448 HydrophobicContact CD1-CD1 3.93Å; F414-F448 HydrophobicContact CG-CD1 4.4Å; F414-T451 HydrophobicContact CD1-CG2 3.94Å
415G96.4Very high96.2Very high20 Ų2042.3 Ų42.321%0.20620%0.202CC..THydrogen-bonded Turntrans-69.6-5176.100000114.9K411 R418K411-G415 WeakPolarHBondContact O-CA 3.31Å; K411-G415 PolarHBondContact O-N 2.84Å; G415-R418 PolarHBondContact O-NH2 3.34Å
416A97.7Very high96.5Very high4 Ų437.7 Ų37.73%0.03318%0.177CC..THydrogen-bonded Turntrans-65-33.7167.800000110.7F246 I360 R412 F413 F414 R418 L426F246-A416 WeakPolarHBondContact CZ-O 3.46Å; I360-A416 HydrophobicContact CD1-CB 3.88Å; I360-A416 HydrophobicContact CG1-CB 4.18Å; R412-A416 PolarHBondContact O-N 3.34Å; F413-A416 VanDerWaalsContact O-CB 3.22Å; F413-A416 WeakPolarHBondContact O-CB 3.39Å; F413-A416 PolarHBondContact O-N 3.09Å; F414-A416 PolarHBondContact O-N 3.33Å; A416-R418 WeakPolarHBondContact O-CG 3.49Å; A416-R418 PolarHBondContact O-N 3.15Å; A416-R418 PolarHBondContact O-NE 3.47Å; A416-L426 HydrophobicContact CB-CD2 3.84Å
417A98.2Very high96.7Very high0 Ų037.7 Ų37.70%018%0.176CC..  trans-57.8121.1178.300000111.9R286 F414 L426 I428R286-A417 HydrophobicContact CB-CB 3.79Å; R286-A417 HydrophobicContact CG-CB 3.9Å; R286-A417 PolarHBondContact NH1-O 3.06Å; F414-A417 WeakPolarHBondContact O-CB 3.44Å; F414-A417 PolarHBondContact O-N 3.49Å; F414-A417 VanDerWaalsContact O-N 3.17Å; A417-L426 CarbonylContact C-O 3.51Å; A417-L426 WeakPolarHBondContact CA-O 3.35Å; A417-L426 WeakPolarHBondContact CB-O 3.36Å; A417-I428 HydrophobicContact CB-CB 3.84Å; A417-I428 HydrophobicContact CB-CD1 3.91Å; A417-I428 HydrophobicContact CB-CG1 3.71Å
418R98.2Very high97Very high63 Ų6337.2 Ų37.224%0.23817%0.174CC..EExtended strand (participates in β ladder)trans-163.2152.3-177.265.5-166.462.5-162.2-5.7110.7F246 P251 G284 G415 A416 V420 L426F246-R418 HydrophobicContact CZ-CG 4.03Å; P251-R418 HydrophobicContact CB-CB 4.35Å; G284-R418 WeakPolarHBondContact CA-O 3.35Å; G415-R418 PolarHBondContact O-NH2 3.34Å; A416-R418 WeakPolarHBondContact O-CG 3.49Å; A416-R418 PolarHBondContact O-N 3.15Å; A416-R418 PolarHBondContact O-NE 3.47Å; R418-V420 HydrophobicContact CG-CG2 4.1Å; R418-L426 PolarHBondContact N-O 3.02Å; R418-L426 PolarHBondContact O-N 2.98Å
419N98.3Very high97.2Very high9 Ų932 Ų325%0.04815%0.15CC..EExtended strand (participates in β ladder)trans-83147.6162.7-17028000108.9P251 L252 H253 N255 R283P251-N419 WeakPolarHBondContact CA-O 3.16Å; L252-N419 HydrophobicContact CB-CB 4.44Å; L252-N419 PolarHBondContact N-O 3.5Å; L252-N419 WeakPolarHBondContact O-CB 3.42Å; H253-N419 PolarHBondContact O-ND2 3.36Å; N255-N419 VanDerWaalsContact CG-ND2 3.27Å; N255-N419 PolarHBondContact OD1-ND2 3.32Å; R283-N419 WeakPolarHBondContact O-CB 3.38Å
420V97.9Very high97.3Very high6 Ų626.8 Ų26.84%0.03613%0.13CC..EExtended strand (participates in β ladder)trans-122.1128.9-176.3173.50000110.4L249 V367 R418 E422 G423 G424L249-V420 HydrophobicContact CB-CG1 3.65Å; L249-V420 HydrophobicContact CB-CG2 4.13Å; L249-V420 HydrophobicContact CD1-CG1 3.96Å; L249-V420 HydrophobicContact CD1-CG2 4.16Å; L249-V420 HydrophobicContact CD2-CG1 3.91Å; L249-V420 HydrophobicContact CG-CG1 4.02Å; V367-V420 HydrophobicContact CG1-CG2 4Å; R418-V420 HydrophobicContact CG-CG2 4.1Å; V420-E422 HydrophobicContact CG1-CB 4.2Å; V420-E422 WeakPolarHBondContact CG1-OE2 3.43Å; V420-G423 PolarHBondContact O-N 2.94Å; V420-G424 WeakPolarHBondContact CB-O 3.3Å; V420-G424 PolarHBondContact N-O 3.17Å
421E97.1Very high97.4Very high129 Ų12926.8 Ų26.860%0.60313%0.13SC*.THydrogen-bonded Turntrans-63.8-41.8179.6-173170.4-128.400112.5T250 L252 G423T250-E421 PolarHBondContact O-N 3.15Å; L252-E421 HydrophobicContact CD1-CB 3.69Å; L252-E421 HydrophobicContact CD1-CG 4.03Å; L252-E421 HydrophobicContact CG-CB 4.21Å; E421-G423 PolarHBondContact O-N 3.34Å
422E96Very high97.4Very high56 Ų5623.6 Ų23.626%0.26212%0.116SC..THydrogen-bonded Turntrans-69.6-12.8-178.1-59.282.8174.700112.9I244 L249 T250 K370 V420I244-E422 HydrophobicContact CD1-CG 4.3Å; L249-E422 HydrophobicContact CD2-CB 4.03Å; L249-E422 HydrophobicContact CD2-CG 4.22Å; T250-E422 WeakPolarHBondContact CB-OE1 3.05Å; T250-E422 PolarHBondContact N-OE1 2.94Å; T250-E422 PolarHBondContact N-OE2 3.5Å; T250-E422 PolarHBondContact OG1-OE1 3.34Å; K370-E422 PolarHBondContact NZ-O 3.44Å; V420-E422 HydrophobicContact CG1-CB 4.2Å; V420-E422 WeakPolarHBondContact CG1-OE2 3.43Å
423G94.4Very high97.4Very high23 Ų2316.7 Ų16.724%0.2379%0.092CC..SBendtrans122.5149.1176.900000114V420 E421V420-G423 PolarHBondContact O-N 2.94Å; E421-G423 PolarHBondContact O-N 3.34Å
424G96.5Very high97.4Very high10 Ų1017.2 Ų17.210%0.10310%0.095CC..  trans81.1174-171.400000112.7K371 D372 V420K371-G424 WeakPolarHBondContact O-CA 3.27Å; D372-G424 VanDerWaalsContact OD1-C 3.29Å; V420-G424 WeakPolarHBondContact CB-O 3.3Å; V420-G424 PolarHBondContact N-O 3.17Å
425S98.4Very high97.2Very high1 Ų121.6 Ų21.61%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-160.9152.8178.268.10000110.7R283 G284 V367 K371 D372 V373R283-S425 WeakPolarHBondContact CB-OG 3.25Å; G284-S425 PolarHBondContact N-OG 2.78Å; V367-S425 VanDerWaalsContact CG2-O 3.3Å; V367-S425 WeakPolarHBondContact CG2-O 3.48Å; K371-S425 PolarHBondContact O-N 3.42Å; D372-S425 VanDerWaalsContact OD1-CB 3.26Å; D372-S425 WeakPolarHBondContact OD1-CB 3.37Å; D372-S425 PolarHBondContact OD1-N 2.88Å; D372-S425 PolarHBondContact OD1-OG 3.25Å; V373-S425 PolarHBondContact N-O 2.77Å
426L98.7Very high97.1Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-113.7107.3169.7-178.154000109.3F246 G284 I360 A363 V367 V373 I375 A416 A417 R418 I428F246-L426 HydrophobicContact CZ-CD2 4.26Å; G284-L426 WeakPolarHBondContact CA-O 3.2Å; I360-L426 HydrophobicContact CD1-CD2 3.81Å; A363-L426 HydrophobicContact CB-CD1 3.83Å; V367-L426 HydrophobicContact CG2-CB 4.07Å; V373-L426 HydrophobicContact CB-CD1 4.05Å; V373-L426 HydrophobicContact CG1-CD1 4.14Å; I375-L426 HydrophobicContact CD1-CD1 4.04Å; I375-L426 HydrophobicContact CG1-CD1 4.22Å; A416-L426 HydrophobicContact CB-CD2 3.84Å; A417-L426 CarbonylContact C-O 3.51Å; A417-L426 WeakPolarHBondContact CA-O 3.35Å; A417-L426 WeakPolarHBondContact CB-O 3.36Å; R418-L426 PolarHBondContact N-O 3.02Å; R418-L426 PolarHBondContact O-N 2.98Å; L426-I428 HydrophobicContact CD1-CG1 4.39Å; L426-I428 HydrophobicContact CD2-CD1 4.41Å; L426-I428 HydrophobicContact CG-CD1 4.44Å; L426-I428 HydrophobicContact CG-CG1 4.23Å
427T98.8Very high96.9Very high1 Ų126.5 Ų26.51%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-95.3130.2173.1-52.10000109.1I281 G284 Q285 V373 I374 I375 I429I281-T427 HydrophobicContact CG2-CG2 4.38Å; G284-T427 PolarHBondContact N-OG1 2.86Å; Q285-T427 HydrophobicContact CB-CG2 3.95Å; Q285-T427 CarbonylContact O-C 3.48Å; Q285-T427 WeakPolarHBondContact O-CA 3.38Å; V373-T427 PolarHBondContact O-N 3.37Å; I374-T427 CarbonylContact C-O 3.54Å; I374-T427 WeakPolarHBondContact CA-O 3.33Å; I374-T427 HydrophobicContact CG2-CG2 4.19Å; I375-T427 PolarHBondContact N-O 2.89Å; T427-I429 HydrophobicContact CG2-CD1 4.19Å; T427-I429 HydrophobicContact CG2-CG1 4.22Å
428I98.7Very high96.7Very high0 Ų028.2 Ų28.20%017%0.171CC..EExtended strand (participates in β ladder)trans-125.3118171.7-59.2177.5000108.3Q285 G287 I360 I375 F413 F414 A417 L426 A430Q285-I428 PolarHBondContact O-N 3.04Å; G287-I428 PolarHBondContact N-O 3.23Å; I360-I428 HydrophobicContact CD1-CD1 4.01Å; I375-I428 HydrophobicContact CB-CG1 4.2Å; I375-I428 HydrophobicContact CD1-CD1 4.5Å; I375-I428 HydrophobicContact CD1-CG1 4.38Å; I375-I428 WeakPolarHBondContact O-CA 3.3Å; F413-I428 HydrophobicContact CE1-CD1 4.2Å; F413-I428 WeakPolarHBondContact O-CD1 3.48Å; F414-I428 HydrophobicContact CD2-CB 4.37Å; F414-I428 HydrophobicContact CD2-CG2 3.89Å; F414-I428 HydrophobicContact CE2-CB 4.46Å; F414-I428 HydrophobicContact CE2-CG2 4.09Å; A417-I428 HydrophobicContact CB-CB 3.84Å; A417-I428 HydrophobicContact CB-CD1 3.91Å; A417-I428 HydrophobicContact CB-CG1 3.71Å; L426-I428 HydrophobicContact CD1-CG1 4.39Å; L426-I428 HydrophobicContact CD2-CD1 4.41Å; L426-I428 HydrophobicContact CG-CD1 4.44Å; L426-I428 HydrophobicContact CG-CG1 4.23Å; I428-A430 HydrophobicContact CG2-CB 4.39Å
429I98.4Very high96.6Very high1 Ų131.9 Ų31.91%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-111.9110170.7-52.6-59.2000107.1I281 Q285 I289 I304 I375 L376 L377 T427I281-I429 HydrophobicContact CD1-CD1 3.95Å; I281-I429 HydrophobicContact CD1-CG1 4.32Å; I281-I429 HydrophobicContact CG1-CD1 4.41Å; I281-I429 HydrophobicContact CG2-CD1 4.17Å; Q285-I429 HydrophobicContact CB-CD1 4.43Å; Q285-I429 HydrophobicContact CG-CD1 4.42Å; I289-I429 HydrophobicContact CD1-CG2 3.79Å; I289-I429 HydrophobicContact CG1-CG2 3.99Å; I304-I429 HydrophobicContact CD1-CG2 4.34Å; I375-I429 PolarHBondContact O-N 3.26Å; L376-I429 WeakPolarHBondContact CA-O 3.48Å; L376-I429 HydrophobicContact CD2-CB 3.85Å; L376-I429 HydrophobicContact CD2-CG1 4.27Å; L377-I429 PolarHBondContact N-O 3.11Å; T427-I429 HydrophobicContact CG2-CD1 4.19Å; T427-I429 HydrophobicContact CG2-CG1 4.22Å
430A97.9Very high96.4Very high0 Ų033.1 Ų33.10%020%0.195CC..EExtended strand (participates in β ladder)trans-117.1144.1-176.100000111.7G287 L288 I289 L377 I380 F414 I428G287-A430 PolarHBondContact O-N 3.1Å; L288-A430 CarbonylContact C-O 3.58Å; L288-A430 VanDerWaalsContact CA-O 3.31Å; L288-A430 WeakPolarHBondContact CA-O 3.45Å; L288-A430 HydrophobicContact CD2-CB 4.28Å; I289-A430 PolarHBondContact N-O 3.16Å; L377-A430 HydrophobicContact CB-CB 3.82Å; L377-A430 HydrophobicContact CD2-CB 4Å; L377-A430 HydrophobicContact CG-CB 4.1Å; L377-A430 CarbonylContact O-C 3.59Å; L377-A430 VanDerWaalsContact O-CA 3.26Å; L377-A430 WeakPolarHBondContact O-CA 3.5Å; I380-A430 HydrophobicContact CB-CB 3.89Å; I380-A430 HydrophobicContact CD1-CB 4.39Å; I380-A430 HydrophobicContact CG2-CB 4.36Å; F414-A430 HydrophobicContact CE2-CB 4.37Å; I428-A430 HydrophobicContact CG2-CB 4.39Å
431T97Very high96.3Very high0 Ų032.9 Ų32.90%019%0.193CC..EExtended strand (participates in β ladder)trans-83136.417165.90000110.1I289 K297 L377 D378 S379 I380I289-T431 HydrophobicContact CB-CG2 4.3Å; I289-T431 CarbonylContact O-C 3.57Å; I289-T431 WeakPolarHBondContact O-CA 3.45Å; K297-T431 HydrophobicContact CB-CG2 4.27Å; L377-T431 PolarHBondContact O-N 3.47Å; D378-T431 PolarHBondContact OD1-OG1 3.22Å; S379-T431 WeakPolarHBondContact CA-OG1 3.1Å; S379-T431 WeakPolarHBondContact CB-O 3.5Å; S379-T431 WeakPolarHBondContact CB-OG1 3.46Å; I380-T431 WeakPolarHBondContact CG2-O 3.39Å; I380-T431 PolarHBondContact N-O 2.93Å
432A96.8Very high96.2Very high1 Ų131.5 Ų31.51%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-118.5129.6172.800000109.9L288 I289 A291 I380 Y445L288-A432 HydrophobicContact CD2-CB 4.47Å; I289-A432 PolarHBondContact O-N 3.05Å; A291-A432 PolarHBondContact N-O 3.45Å; I380-A432 HydrophobicContact CG2-CB 4.04Å; A432-Y445 HydrophobicContact CB-CD2 4.42Å
433L96Very high96.1Very high21 Ų2130.6 Ų30.611%0.1119%0.185CC..EExtended strand (participates in β ladder)trans-84.4131.8178.3-66.6171.9000110.8A291 K297 T381 T436A291-L433 WeakPolarHBondContact O-CA 3.4Å; K297-L433 HydrophobicContact CD-CD2 4.17Å; T381-L433 HydrophobicContact CG2-CB 4.25Å; T381-L433 PolarHBondContact OG1-N 2.57Å; L433-T436 HydrophobicContact CB-CG2 3.82Å
434I96Very high96.1Very high17 Ų1729.6 Ų29.69%0.08718%0.175CC..  trans-126.6169.5170.958.5160.8000110.3V290 A291 P292 P293 T436 Y445V290-I434 HydrophobicContact CG1-CB 4.37Å; V290-I434 HydrophobicContact CG1-CD1 3.8Å; V290-I434 HydrophobicContact CG1-CG1 3.97Å; V290-I434 HydrophobicContact CG1-CG2 3.49Å; V290-I434 VanDerWaalsContact CG1-CG2 3.49Å; A291-I434 PolarHBondContact O-N 2.83Å; P292-I434 WeakPolarHBondContact CA-O 3.32Å; P292-I434 HydrophobicContact CG-CD1 4.21Å; P292-I434 HydrophobicContact CG-CG1 4.04Å; P293-I434 WeakPolarHBondContact CD-O 3.41Å; I434-T436 PolarHBondContact O-N 2.9Å; I434-T436 VanDerWaalsContact O-N 3.09Å; I434-Y445 HydrophobicContact CG2-CD1 3.96Å; I434-Y445 HydrophobicContact CG2-CD2 4.16Å; I434-Y445 HydrophobicContact CG2-CE1 4.47Å; I434-Y445 HydrophobicContact CG2-CG 3.78Å
435D93.6Very high96.1Very high91 Ų9129.6 Ų29.649%0.48717%0.171SC..SBendtrans52.334.7177.1-56.5-28.5000114P292 G437 R460P292-D435 HydrophobicContact CB-CB 4.31Å; P292-D435 HydrophobicContact CG-CB 4.41Å; D435-G437 VanDerWaalsContact C-N 3.33Å; D435-R460 PolarHBondContact O-NH2 2.89Å
436T93.8Very high95.8Very high49 Ų4934.9 Ų34.930%0.30120%0.196SC..SBendtrans-84.3-10.4179.363.50000112.9P293 L433 I434 S438 D441P293-T436 HydrophobicContact CG-CG2 4.22Å; L433-T436 HydrophobicContact CB-CG2 3.82Å; I434-T436 PolarHBondContact O-N 2.9Å; I434-T436 VanDerWaalsContact O-N 3.09Å; T436-S438 VanDerWaalsContact C-N 3.26Å; T436-S438 PolarHBondContact OG1-N 3.14Å; T436-D441 VanDerWaalsContact CB-OD2 3.31Å; T436-D441 WeakPolarHBondContact CB-OD2 3.34Å; T436-D441 HydrophobicContact CG2-CB 4.5Å; T436-D441 WeakPolarHBondContact CG2-OD2 3.48Å; T436-D441 PolarHBondContact OG1-OD2 3.08Å
437G94.2Very high95.5Very high78 Ų7838.3 Ų38.380%0.80421%0.212SC*.SBendtrans82.1-0.8-169.300000113.9D435D435-G437 VanDerWaalsContact C-N 3.33Å
438S94.9Very high95.3Very high37 Ų3738.3 Ų38.326%0.25921%0.212SC..  trans-101.7118.7176.7-178.50000111.6T436 M440 D441 E442T436-S438 VanDerWaalsContact C-N 3.26Å; T436-S438 PolarHBondContact OG1-N 3.14Å; S438-M440 PolarHBondContact O-N 3.2Å; S438-M440 VanDerWaalsContact O-N 3.15Å; S438-M440 WeakPolarHBondContact OG-CB 3.43Å; S438-M440 PolarHBondContact OG-N 3.27Å; S438-D441 PolarHBondContact O-N 3.23Å; S438-E442 PolarHBondContact O-N 3.22Å
439K94.4Very high94.9Very high140 Ų14041.4 Ų41.461%0.60923%0.226SC*.Hα-helixtrans-58.4-25.6171.5-69.9-171.5176.8-175.50113D441 V443K439-D441 VanDerWaalsContact C-N 3.31Å; K439-D441 PolarHBondContact O-N 3.33Å; K439-V443 WeakPolarHBondContact O-CG2 3.27Å; K439-V443 PolarHBondContact O-N 3.29Å; K439-V443 VanDerWaalsContact O-N 3.15Å
440M95.5Very high94.3Very high34 Ų3444.1 Ų44.117%0.16725%0.253CS..Hα-helixtrans-60.1-43.7175.2-172.2176.6-79.500111.1R385 G400 G401 V402 S438 V443 I444R385-M440 HydrophobicContact CG-SD 3.98Å; G400-M440 WeakPolarHBondContact O-CB 3.42Å; G400-M440 VanDerWaalsContact O-CE 3.25Å; G400-M440 WeakPolarHBondContact O-CE 3.25Å; G401-M440 WeakPolarHBondContact O-CE 3.24Å; V402-M440 HydrophobicContact CG2-CE 4.41Å; V402-M440 HydrophobicContact CG2-CG 3.63Å; S438-M440 PolarHBondContact O-N 3.2Å; S438-M440 VanDerWaalsContact O-N 3.15Å; S438-M440 WeakPolarHBondContact OG-CB 3.43Å; S438-M440 PolarHBondContact OG-N 3.27Å; M440-V443 PolarHBondContact O-N 3.48Å; M440-I444 HydrophobicContact CG-CD1 3.83Å; M440-I444 VanDerWaalsContact O-CG1 3.25Å; M440-I444 WeakPolarHBondContact O-CG1 3.4Å; M440-I444 PolarHBondContact O-N 2.87Å
441D96Very high93.9Very high1 Ų145.6 Ų45.61%0.00526%0.262CS..Hα-helixtrans-71.6-36.5-176-61.9-22.2000111.5T381 R385 T436 S438 K439 I444 Y445T381-D441 HydrophobicContact CG2-CB 4.12Å; T381-D441 VanDerWaalsContact CG2-OD1 3.29Å; T381-D441 WeakPolarHBondContact CG2-OD1 3.31Å; R385-D441 IonicContact CZ-OD1 3.33Å; R385-D441 IonicContact CZ-OD2 2.74Å; R385-D441 IonicContact NE-OD1 3.39Å; R385-D441 PolarHBondContact NE-OD1 3.03Å; R385-D441 IonicContact NH2-OD1 2.66Å; R385-D441 PolarHBondContact NH2-OD1 3.36Å; R385-D441 IonicContact NH2-OD2 2.8Å; R385-D441 PolarHBondContact NH2-OD2 3.23Å; T436-D441 VanDerWaalsContact CB-OD2 3.31Å; T436-D441 WeakPolarHBondContact CB-OD2 3.34Å; T436-D441 HydrophobicContact CG2-CB 4.5Å; T436-D441 WeakPolarHBondContact CG2-OD2 3.48Å; T436-D441 PolarHBondContact OG1-OD2 3.08Å; S438-D441 PolarHBondContact O-N 3.23Å; K439-D441 VanDerWaalsContact C-N 3.31Å; K439-D441 PolarHBondContact O-N 3.33Å; D441-I444 PolarHBondContact O-N 2.87Å; D441-Y445 WeakPolarHBondContact O-CB 3.35Å; D441-Y445 PolarHBondContact O-N 3.06Å
442E94.2Very high93.7Very high100 Ų10045.7 Ų45.747%0.46726%0.263SS..Hα-helixtrans-59.2-46.9172.8-65.5172.7-173.500111S438 Y445 E446S438-E442 PolarHBondContact O-N 3.22Å; E442-Y445 PolarHBondContact O-N 3.03Å; E442-E446 WeakPolarHBondContact O-CG 3.43Å; E442-E446 PolarHBondContact O-N 3.13Å
443V93.7Very high93.7Very high38 Ų3846.6 Ų46.623%0.2327%0.268CS..Hα-helixtrans-64.5-42.2177.5171.70000111.4T399 V402 K439 M440 E447T399-V443 HydrophobicContact CG2-CG2 4.43Å; V402-V443 HydrophobicContact CG2-CG1 4.41Å; K439-V443 WeakPolarHBondContact O-CG2 3.27Å; K439-V443 PolarHBondContact O-N 3.29Å; K439-V443 VanDerWaalsContact O-N 3.15Å; M440-V443 PolarHBondContact O-N 3.48Å; V443-E447 PolarHBondContact O-N 2.74Å; V443-E447 VanDerWaalsContact O-N 3.17Å
444I95.1Very high93.8Very high2 Ų245.6 Ų45.61%0.0126%0.263CS..Hα-helixtrans-61.2-46.1175.9-72.3166.1000110.7T381 A384 R385 L407 M440 D441 E447 F448T381-I444 HydrophobicContact CG2-CD1 4.4Å; T381-I444 HydrophobicContact CG2-CG2 4.45Å; A384-I444 HydrophobicContact CB-CD1 4.02Å; A384-I444 HydrophobicContact CB-CG1 4.21Å; A384-I444 HydrophobicContact CB-CG2 3.86Å; R385-I444 HydrophobicContact CG-CD1 4.09Å; L407-I444 HydrophobicContact CD2-CG1 4.1Å; M440-I444 HydrophobicContact CG-CD1 3.83Å; M440-I444 VanDerWaalsContact O-CG1 3.25Å; M440-I444 WeakPolarHBondContact O-CG1 3.4Å; M440-I444 PolarHBondContact O-N 2.87Å; D441-I444 PolarHBondContact O-N 2.87Å; I444-E447 PolarHBondContact O-N 3.46Å; I444-F448 HydrophobicContact CG2-CD2 3.61Å; I444-F448 HydrophobicContact CG2-CE2 3.55Å; I444-F448 WeakPolarHBondContact O-CD2 3.46Å; I444-F448 PolarHBondContact O-N 3Å; I444-F448 VanDerWaalsContact O-N 3.16Å
445Y95.2Very high93.8Very high9 Ų946.3 Ų46.34%0.03527%0.266CS..Hα-helixtrans-60.8-49.5179.2163.9-112000111.7V290 A432 I434 D441 E442 E447 F448 K449 H457V290-Y445 HydrophobicContact CB-CE2 4.17Å; V290-Y445 HydrophobicContact CG1-CD2 3.89Å; V290-Y445 HydrophobicContact CG1-CE2 3.51Å; V290-Y445 HydrophobicContact CG2-CD2 4.22Å; V290-Y445 HydrophobicContact CG2-CE2 3.51Å; A432-Y445 HydrophobicContact CB-CD2 4.42Å; I434-Y445 HydrophobicContact CG2-CD1 3.96Å; I434-Y445 HydrophobicContact CG2-CD2 4.16Å; I434-Y445 HydrophobicContact CG2-CE1 4.47Å; I434-Y445 HydrophobicContact CG2-CG 3.78Å; D441-Y445 WeakPolarHBondContact O-CB 3.35Å; D441-Y445 PolarHBondContact O-N 3.06Å; E442-Y445 PolarHBondContact O-N 3.03Å; Y445-E447 VanDerWaalsContact C-N 3.29Å; Y445-E447 PolarHBondContact O-N 3.07Å; Y445-F448 PolarHBondContact O-N 3.44Å; Y445-F448 VanDerWaalsContact O-N 3.15Å; Y445-K449 HydrophobicContact CE1-CD 4.34Å; Y445-K449 HydrophobicContact CE2-CB 4.25Å; Y445-K449 WeakPolarHBondContact O-CB 3.46Å; Y445-K449 PolarHBondContact O-N 3.39Å; Y445-H457 AromaticContact CZ-CE1 4Å; Y445-H457 PolarHBondContact OH-CE1 3.5Å; Y445-H457 PolarHBondContact OH-NE2 3.32Å
446E92.8Very high94.1Very high112 Ų11242 Ų4252%0.52324%0.243SC..Hα-helixtrans-60.6-38.1-179.2-72.6-60.7144.500112.2E442 G450E442-E446 WeakPolarHBondContact O-CG 3.43Å; E442-E446 PolarHBondContact O-N 3.13Å; E446-G450 PolarHBondContact O-N 3.37Å
447E92.1Very high94.3Very high72 Ų7239.9 Ų39.934%0.33623%0.229SC..Hα-helixtrans-64.5-41.6175.9-170.371.6-169.700112.2L407 K411 V443 I444 Y445 T451L407-E447 HydrophobicContact CB-CG 4.34Å; L407-E447 HydrophobicContact CD1-CB 3.95Å; L407-E447 HydrophobicContact CD1-CG 3.8Å; K411-E447 HydrophobicContact CD-CG 3.87Å; K411-E447 VanDerWaalsContact CD-OE1 3.29Å; K411-E447 WeakPolarHBondContact CD-OE1 3.2Å; K411-E447 VanDerWaalsContact CE-OE1 3.31Å; K411-E447 WeakPolarHBondContact CE-OE1 3.36Å; K411-E447 HydrophobicContact CG-CG 4.27Å; K411-E447 IonicContact NZ-OE1 3.47Å; K411-E447 PolarHBondContact NZ-OE1 3.44Å; V443-E447 PolarHBondContact O-N 2.74Å; V443-E447 VanDerWaalsContact O-N 3.17Å; I444-E447 PolarHBondContact O-N 3.46Å; Y445-E447 VanDerWaalsContact C-N 3.29Å; Y445-E447 PolarHBondContact O-N 3.07Å; E447-T451 PolarHBondContact O-OG1 2.92Å
448F94.4Very high94.4Very high2 Ų236.6 Ų36.61%0.00919%0.193CC..Hα-helixtrans-77.7-29.6-179.6-75.8-58.3000113.8L288 I380 A384 P410 K411 F414 I444 Y445 G450 T451 G452L288-F448 HydrophobicContact CD1-CB 3.82Å; I380-F448 HydrophobicContact CD1-CD1 3.62Å; I380-F448 HydrophobicContact CD1-CD2 3.96Å; I380-F448 HydrophobicContact CD1-CE1 3.46Å; I380-F448 VanDerWaalsContact CD1-CE1 3.46Å; I380-F448 HydrophobicContact CD1-CE2 3.8Å; I380-F448 HydrophobicContact CD1-CG 3.85Å; I380-F448 HydrophobicContact CD1-CZ 3.52Å; I380-F448 HydrophobicContact CG1-CD2 4.17Å; I380-F448 HydrophobicContact CG1-CE1 4.04Å; I380-F448 HydrophobicContact CG1-CE2 3.65Å; I380-F448 HydrophobicContact CG1-CZ 3.55Å; I380-F448 HydrophobicContact CG2-CD2 4.22Å; I380-F448 HydrophobicContact CG2-CE2 4.32Å; A384-F448 HydrophobicContact CB-CE2 3.94Å; A384-F448 HydrophobicContact CB-CZ 4.33Å; P410-F448 HydrophobicContact CB-CE1 4.06Å; P410-F448 HydrophobicContact CB-CE2 4.43Å; P410-F448 HydrophobicContact CB-CZ 3.42Å; P410-F448 VanDerWaalsContact CB-CZ 3.42Å; K411-F448 HydrophobicContact CG-CE1 4.3Å; F414-F448 HydrophobicContact CB-CD1 4.3Å; F414-F448 HydrophobicContact CB-CE1 4.09Å; F414-F448 AromaticContact CD1-CD1 3.93Å; F414-F448 HydrophobicContact CD1-CD1 3.93Å; F414-F448 HydrophobicContact CG-CD1 4.4Å; I444-F448 HydrophobicContact CG2-CD2 3.61Å; I444-F448 HydrophobicContact CG2-CE2 3.55Å; I444-F448 WeakPolarHBondContact O-CD2 3.46Å; I444-F448 PolarHBondContact O-N 3Å; I444-F448 VanDerWaalsContact O-N 3.16Å; Y445-F448 PolarHBondContact O-N 3.44Å; Y445-F448 VanDerWaalsContact O-N 3.15Å; F448-G450 VanDerWaalsContact C-N 3.28Å; F448-G450 PolarHBondContact O-N 2.88Å; F448-T451 WeakPolarHBondContact O-CA 3.29Å; F448-T451 WeakPolarHBondContact O-CB 3.22Å; F448-T451 PolarHBondContact O-N 3.45Å; F448-G452 PolarHBondContact O-N 3.28Å
449K90.8Very high94.6Very high65 Ų6535.3 Ų35.328%0.28318%0.184SC..Hα-helixtrans-55.9-44.3173.4-173.3-173.5-176.7176.20111.4Y445 T451 E455Y445-K449 HydrophobicContact CE1-CD 4.34Å; Y445-K449 HydrophobicContact CE2-CB 4.25Å; Y445-K449 WeakPolarHBondContact O-CB 3.46Å; Y445-K449 PolarHBondContact O-N 3.39Å; K449-T451 PolarHBondContact O-N 2.85Å; K449-E455 WeakPolarHBondContact CG-OE1 3.14Å
450G86.9Confident94.6Very high57 Ų5733 Ų3359%0.58817%0.172SC*.Hα-helixtrans-66.8-23.9175.400000114.1E446 F448E446-G450 PolarHBondContact O-N 3.37Å; F448-G450 VanDerWaalsContact C-N 3.28Å; F448-G450 PolarHBondContact O-N 2.88Å
451T89.7Confident94.6Very high31 Ų3137.9 Ų37.919%0.1919%0.192CC..Hα-helixtrans-85-39.1-179.8-540000111.4R286 F414 E447 F448 K449R286-T451 PolarHBondContact NE-O 3.03Å; R286-T451 PolarHBondContact NH2-O 3.42Å; F414-T451 HydrophobicContact CD1-CG2 3.94Å; E447-T451 PolarHBondContact O-OG1 2.92Å; F448-T451 WeakPolarHBondContact O-CA 3.29Å; F448-T451 WeakPolarHBondContact O-CB 3.22Å; F448-T451 PolarHBondContact O-N 3.45Å; K449-T451 PolarHBondContact O-N 2.85Å
452G92.1Very high94.7Very high2 Ų237.9 Ų37.92%0.02119%0.192CC..  trans-70.1169-177.700000114.9R286 F448R286-G452 WeakPolarHBondContact O-CA 3.47Å; F448-G452 PolarHBondContact O-N 3.28Å
453N96Very high94.8Very high20 Ų2033.4 Ų33.411%0.10717%0.173CC..SBendtrans-1315.3174.361.41.8000113.4Q285 R286 R479Q285-N453 VanDerWaalsContact NE2-CG 3.28Å; Q285-N453 PolarHBondContact NE2-O 3.48Å; Q285-N453 PolarHBondContact NE2-OD1 3.3Å; R286-N453 WeakPolarHBondContact CA-OD1 3.38Å; R286-N453 WeakPolarHBondContact CB-OD1 3.37Å; R286-N453 PolarHBondContact N-OD1 2.83Å; R286-N453 PolarHBondContact O-N 2.81Å; R286-N453 PolarHBondContact O-OD1 3.41Å; N453-R479 HydrophobicContact CB-CB 4.35Å; N453-R479 PolarHBondContact O-N 3.18Å
454M98.1Very high94.9Very high1 Ų138.1 Ų38.11%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-144.9139.9169.8168.3-85.1-15500109.6I281 Q285 R286 G287 L288 L456 G477 T478I281-M454 HydrophobicContact CD1-CE 3.74Å; I281-M454 HydrophobicContact CG1-CE 3.72Å; Q285-M454 HydrophobicContact CG-CB 3.96Å; Q285-M454 VanDerWaalsContact NE2-CB 3.3Å; R286-M454 PolarHBondContact O-N 2.87Å; G287-M454 CarbonylContact C-O 3.59Å; G287-M454 WeakPolarHBondContact CA-O 3.38Å; G287-M454 VanDerWaalsContact CA-SD 3.52Å; L288-M454 PolarHBondContact N-O 2.8Å; M454-L456 HydrophobicContact CE-CB 4.01Å; M454-L456 HydrophobicContact SD-CB 4.49Å; M454-G477 WeakPolarHBondContact CA-O 3.3Å; M454-T478 HydrophobicContact CB-CG2 4.31Å; M454-T478 VanDerWaalsContact CG-OG1 3.26Å; M454-T478 WeakPolarHBondContact CG-OG1 3.46Å
455E97.5Very high95Very high32 Ų3243.2 Ų43.215%0.1521%0.214CC..EExtended strand (participates in β ladder)trans-132.1127.8179.7-68160.7-15000108.3L288 K449 H457 S476 G477L288-E455 CarbonylContact O-C 3.6Å; L288-E455 WeakPolarHBondContact O-CA 3.23Å; K449-E455 WeakPolarHBondContact CG-OE1 3.14Å; E455-H457 IonicContact OE2-NE2 3.85Å; E455-S476 CarbonylContact O-C 3.54Å; E455-S476 VanDerWaalsContact O-CA 3.24Å; E455-S476 WeakPolarHBondContact O-CA 3.45Å; E455-G477 PolarHBondContact N-O 3.16Å; E455-G477 PolarHBondContact O-N 2.67Å
456L98.1Very high95Very high0 Ų052.3 Ų52.30%025%0.248CC..EExtended strand (participates in β ladder)trans-122.8102.5173.5-178.258.6000108.6L275 L288 I289 V290 L300 M454 I471L275-L456 HydrophobicContact CD1-CD2 3.84Å; L275-L456 HydrophobicContact CG-CD2 4.09Å; L288-L456 PolarHBondContact O-N 2.67Å; I289-L456 CarbonylContact C-O 3.3Å; I289-L456 WeakPolarHBondContact CA-O 3.29Å; I289-L456 HydrophobicContact CG1-CB 4.48Å; I289-L456 HydrophobicContact CG1-CD2 4.49Å; V290-L456 PolarHBondContact N-O 2.79Å; L300-L456 HydrophobicContact CD1-CD2 4.39Å; L300-L456 HydrophobicContact CD2-CD2 3.69Å; L300-L456 HydrophobicContact CD2-CG 4.42Å; M454-L456 HydrophobicContact CE-CB 4.01Å; M454-L456 HydrophobicContact SD-CB 4.49Å; L456-I471 HydrophobicContact CD1-CD1 4.02Å; L456-I471 HydrophobicContact CD1-CG1 3.99Å; L456-I471 HydrophobicContact CD1-CG2 3.73Å
457H98Very high95.2Very high4 Ų447.9 Ų47.92%0.01923%0.229CC..EExtended strand (participates in β ladder)trans-85.9134.5-176-82.3-91.9000111.1V290 Y445 E455 I471 D472 R475 S476V290-H457 CarbonylContact O-C 3.57Å; V290-H457 WeakPolarHBondContact O-CA 3.4Å; Y445-H457 AromaticContact CZ-CE1 4Å; Y445-H457 PolarHBondContact OH-CE1 3.5Å; Y445-H457 PolarHBondContact OH-NE2 3.32Å; E455-H457 IonicContact OE2-NE2 3.85Å; H457-I471 CarbonylContact O-C 3.58Å; H457-I471 WeakPolarHBondContact O-CA 3.46Å; H457-D472 HydrophobicContact CB-CB 3.92Å; H457-D472 PolarHBondContact O-N 3.38Å; H457-R475 HydrophobicContact CB-CB 3.95Å; H457-R475 PolarHBondContact CD2-O 2.97Å; H457-R475 PolarHBondContact CE1-NH2 3.23Å; H457-S476 PolarHBondContact N-OG 2.98Å
458L98Very high95.4Very high9 Ų948.4 Ų48.45%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-109.4137.7170.6-57.5-174.3000110.8I289 V290 A291 P292 A295 L300 A470 I471I289-L458 HydrophobicContact CG2-CD1 4.17Å; I289-L458 HydrophobicContact CG2-CG 4.36Å; V290-L458 PolarHBondContact O-N 2.97Å; A291-L458 HydrophobicContact CB-CB 3.94Å; A291-L458 HydrophobicContact CB-CD1 3.85Å; A291-L458 HydrophobicContact CB-CG 4.12Å; P292-L458 WeakPolarHBondContact CD-O 3.16Å; A295-L458 HydrophobicContact CB-CB 3.88Å; A295-L458 HydrophobicContact CB-CD1 4.44Å; L300-L458 HydrophobicContact CD2-CD1 4.06Å; L300-L458 HydrophobicContact CD2-CD2 4.11Å; L300-L458 HydrophobicContact CD2-CG 4.43Å; L458-A470 CarbonylContact C-O 3.54Å; L458-A470 VanDerWaalsContact CA-O 3.22Å; L458-A470 WeakPolarHBondContact CA-O 3.41Å; L458-I471 HydrophobicContact CD2-CB 4.42Å; L458-I471 HydrophobicContact CD2-CG1 3.61Å
459S97.2Very high95.5Very high10 Ų1048.7 Ų48.77%0.0723%0.232CC..  trans-102.4128.5-178.5178.10000111.8K461 I462 A463 A470 E505S459-K461 VanDerWaalsContact C-N 3.29Å; S459-K461 PolarHBondContact O-N 2.88Å; S459-K461 PolarHBondContact OG-N 3.3Å; S459-I462 PolarHBondContact O-N 3.06Å; S459-A463 PolarHBondContact O-N 3.33Å; S459-A470 PolarHBondContact N-O 3.22Å; S459-E505 VanDerWaalsContact CB-OE2 3.3Å; S459-E505 WeakPolarHBondContact CB-OE2 3.07Å; S459-E505 PolarHBondContact OG-OE2 3.14Å
460R95.6Very high95.8Very high92 Ų9245.7 Ų45.735%0.34722%0.22SC..Hα-helixtrans-60.6-39.3173.5-176-179.1-65.2161.82.6111.5P292 D435 I462 A463 E464P292-R460 HydrophobicContact CB-CB 4.24Å; P292-R460 HydrophobicContact CG-CB 4.19Å; D435-R460 PolarHBondContact O-NH2 2.89Å; R460-I462 PolarHBondContact O-N 3.3Å; R460-A463 PolarHBondContact O-N 2.95Å; R460-E464 WeakPolarHBondContact CD-OE1 3.26Å; R460-E464 HydrophobicContact CG-CG 4.21Å; R460-E464 WeakPolarHBondContact CG-OE1 3.24Å; R460-E464 WeakPolarHBondContact O-CB 3.49Å; R460-E464 WeakPolarHBondContact O-CG 3.43Å; R460-E464 PolarHBondContact O-N 2.81Å
461K96.1Very high96.3Very high137 Ų13743 Ų4360%0.59619%0.192SC*.Hα-helixtrans-64.1-41.4-177.1-64.7176.7-177.4169.80111.9S459 K465 I506S459-K461 VanDerWaalsContact C-N 3.29Å; S459-K461 PolarHBondContact O-N 2.88Å; S459-K461 PolarHBondContact OG-N 3.3Å; K461-K465 PolarHBondContact O-N 3.3Å; K461-I506 HydrophobicContact CB-CD1 4.5Å
462I97.1Very high96.7Very high0 Ų042.1 Ų42.10%019%0.186CC..Hα-helixtrans-67.1-45.1177.5-53.1175.7000109.9S459 R460 E464 K465 R466 V467 A470 E505 I506 M509S459-I462 PolarHBondContact O-N 3.06Å; R460-I462 PolarHBondContact O-N 3.3Å; I462-E464 PolarHBondContact O-N 3.4Å; I462-K465 PolarHBondContact O-N 2.65Å; I462-R466 PolarHBondContact O-N 2.83Å; I462-V467 HydrophobicContact CG2-CB 3.71Å; I462-V467 HydrophobicContact CG2-CG1 3.92Å; I462-V467 PolarHBondContact O-N 2.8Å; I462-A470 HydrophobicContact CB-CB 4.05Å; I462-A470 HydrophobicContact CG2-CB 4.05Å; I462-E505 HydrophobicContact CD1-CB 4.06Å; I462-E505 WeakPolarHBondContact CD1-O 3.42Å; I462-E505 HydrophobicContact CG1-CB 4.25Å; I462-I506 HydrophobicContact CG1-CG1 4.17Å; I462-M509 HydrophobicContact CD1-CB 4.43Å; I462-M509 HydrophobicContact CD1-CG 3.72Å; I462-M509 HydrophobicContact CG2-CB 4.3Å; I462-M509 HydrophobicContact CG2-CG 4.38Å
463A96.5Very high97Very high7 Ų742.4 Ų42.46%0.05819%0.186CC..Hα-helixtrans-63.8-38.717900000113.1S459 R460 K465 R466 F468 A470S459-A463 PolarHBondContact O-N 3.33Å; R460-A463 PolarHBondContact O-N 2.95Å; A463-K465 VanDerWaalsContact C-N 3.27Å; A463-K465 PolarHBondContact O-N 3.15Å; A463-R466 WeakPolarHBondContact O-CA 3.39Å; A463-R466 PolarHBondContact O-N 2.89Å; A463-F468 HydrophobicContact CB-CE1 4.21Å; A463-F468 HydrophobicContact CB-CZ 4.46Å; A463-A470 HydrophobicContact CB-CB 3.88Å
464E96.4Very high97Very high137 Ų13743.4 Ų43.464%0.6419%0.192SC*.Hα-helixtrans-63.4-32175.6-77.6173.3176.800112.3R460 I462 R466R460-E464 WeakPolarHBondContact CD-OE1 3.26Å; R460-E464 HydrophobicContact CG-CG 4.21Å; R460-E464 WeakPolarHBondContact CG-OE1 3.24Å; R460-E464 WeakPolarHBondContact O-CB 3.49Å; R460-E464 WeakPolarHBondContact O-CG 3.43Å; R460-E464 PolarHBondContact O-N 2.81Å; I462-E464 PolarHBondContact O-N 3.4Å; E464-R466 PolarHBondContact O-N 2.9Å
465K96.3Very high96.9Very high109 Ų10949.5 Ų49.547%0.47422%0.215SC..THydrogen-bonded Turntrans-78.72.3172.2-153-174.9-179.5-169.40113.4K461 I462 A463 V467 I506 E510K461-K465 PolarHBondContact O-N 3.3Å; I462-K465 PolarHBondContact O-N 2.65Å; A463-K465 VanDerWaalsContact C-N 3.27Å; A463-K465 PolarHBondContact O-N 3.15Å; K465-V467 HydrophobicContact CB-CG2 4.34Å; K465-V467 HydrophobicContact CD-CG2 4.43Å; K465-V467 HydrophobicContact CG-CG2 4.49Å; K465-V467 PolarHBondContact O-N 2.95Å; K465-I506 HydrophobicContact CD-CD1 4.38Å; K465-I506 HydrophobicContact CD-CG2 3.55Å; K465-E510 WeakPolarHBondContact CE-OE1 3.44Å; K465-E510 IonicContact NZ-OE1 3.38Å; K465-E510 PolarHBondContact NZ-OE1 2.98Å; K465-E510 IonicContact NZ-OE2 2.67Å
466R96Very high96.9Very high199 Ų19948 Ų4875%0.75121%0.208SC*.THydrogen-bonded Turntrans6128.6-178-55.7-61-175.4174.10.1114.3I462 A463 E464 F468I462-R466 PolarHBondContact O-N 2.83Å; A463-R466 WeakPolarHBondContact O-CA 3.39Å; A463-R466 PolarHBondContact O-N 2.89Å; E464-R466 PolarHBondContact O-N 2.9Å; R466-F468 HydrophobicContact CB-CE2 4.46Å
467V96Very high96.9Very high20 Ų2049.2 Ų49.212%0.12122%0.22CC..  trans-92.8120.2172.7179.30000108.4I462 K465 M509 E510 I513I462-V467 HydrophobicContact CG2-CB 3.71Å; I462-V467 HydrophobicContact CG2-CG1 3.92Å; I462-V467 PolarHBondContact O-N 2.8Å; K465-V467 HydrophobicContact CB-CG2 4.34Å; K465-V467 HydrophobicContact CD-CG2 4.43Å; K465-V467 HydrophobicContact CG-CG2 4.49Å; K465-V467 PolarHBondContact O-N 2.95Å; V467-M509 HydrophobicContact CG1-CB 4.23Å; V467-E510 HydrophobicContact CG1-CG 4.43Å; V467-E510 HydrophobicContact CG2-CG 4.24Å; V467-I513 HydrophobicContact CG1-CD1 3.56Å
468F95.8Very high96.9Very high83 Ų8349.5 Ų49.536%0.36422%0.222SC..SBendtrans-129.2139.9-179.6-64.6-77.8000110.9A463 R466 A470 I513A463-F468 HydrophobicContact CB-CE1 4.21Å; A463-F468 HydrophobicContact CB-CZ 4.46Å; R466-F468 HydrophobicContact CB-CE2 4.46Å; F468-A470 HydrophobicContact CD1-CB 4.33Å; F468-I513 WeakPolarHBondContact O-CD1 3.48Å
469P96.7Very high96.8Very high8 Ų856.3 Ų56.35%0.05225%0.247CC..SBendcis-71.7138.51.632.7-38.8000112.7T271 V274 I471 M509T271-P469 HydrophobicContact CG2-CB 4.15Å; V274-P469 HydrophobicContact CB-CG 4.04Å; V274-P469 HydrophobicContact CG1-CG 4.29Å; V274-P469 HydrophobicContact CG2-CG 4.01Å; P469-I471 HydrophobicContact CB-CD1 3.76Å; P469-I471 HydrophobicContact CB-CG1 4.06Å; P469-I471 HydrophobicContact CG-CD1 3.98Å; P469-I471 PolarHBondContact O-N 2.95Å; P469-M509 HydrophobicContact CG-CE 4.14Å; P469-M509 VanDerWaalsContact O-CE 3.3Å; P469-M509 WeakPolarHBondContact O-CE 3.36Å
470A97.4Very high96.7Very high2 Ų260.7 Ų60.72%0.01727%0.265CS..  trans-82.647.3-174.800000112.9L458 S459 I462 A463 F468L458-A470 CarbonylContact C-O 3.54Å; L458-A470 VanDerWaalsContact CA-O 3.22Å; L458-A470 WeakPolarHBondContact CA-O 3.41Å; S459-A470 PolarHBondContact N-O 3.22Å; I462-A470 HydrophobicContact CB-CB 4.05Å; I462-A470 HydrophobicContact CG2-CB 4.05Å; A463-A470 HydrophobicContact CB-CB 3.88Å; F468-A470 HydrophobicContact CD1-CB 4.33Å
471I98Very high96.8Very high1 Ų159 Ų591%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-83131.9-171-69.7164.7000111.2V274 L456 H457 L458 P469 Y473 M509V274-I471 HydrophobicContact CB-CD1 4.2Å; V274-I471 HydrophobicContact CG1-CB 4.4Å; V274-I471 HydrophobicContact CG1-CD1 3.59Å; V274-I471 HydrophobicContact CG1-CG2 4.5Å; L456-I471 HydrophobicContact CD1-CD1 4.02Å; L456-I471 HydrophobicContact CD1-CG1 3.99Å; L456-I471 HydrophobicContact CD1-CG2 3.73Å; H457-I471 CarbonylContact O-C 3.58Å; H457-I471 WeakPolarHBondContact O-CA 3.46Å; L458-I471 HydrophobicContact CD2-CB 4.42Å; L458-I471 HydrophobicContact CD2-CG1 3.61Å; P469-I471 HydrophobicContact CB-CD1 3.76Å; P469-I471 HydrophobicContact CB-CG1 4.06Å; P469-I471 HydrophobicContact CG-CD1 3.98Å; P469-I471 PolarHBondContact O-N 2.95Å; I471-Y473 PolarHBondContact O-N 2.91Å; I471-M509 HydrophobicContact CB-SD 4.19Å; I471-M509 WeakPolarHBondContact O-CG 3.4Å
472D97.6Very high96.9Very high12 Ų1256.7 Ų56.76%0.06425%0.252CS..EExtended strand (participates in β ladder)trans-82.996.1163.1-177.7-24.2000108.8H457 N474 R475 S476H457-D472 HydrophobicContact CB-CB 3.92Å; H457-D472 PolarHBondContact O-N 3.38Å; D472-N474 VanDerWaalsContact C-N 3.28Å; D472-N474 PolarHBondContact O-N 3.4Å; D472-N474 PolarHBondContact OD1-N 2.96Å; D472-N474 VanDerWaalsContact OD1-N 3.1Å; D472-R475 HydrophobicContact CB-CB 4.39Å; D472-R475 PolarHBondContact O-N 2.63Å; D472-R475 PolarHBondContact OD1-N 3.32Å; D472-R475 WeakPolarHBondContact OD2-CD 3.26Å; D472-R475 VanDerWaalsContact OD2-CG 3.28Å; D472-R475 WeakPolarHBondContact OD2-CG 3.44Å; D472-S476 WeakPolarHBondContact O-CB 3.5Å; D472-S476 PolarHBondContact O-N 2.71Å; D472-S476 VanDerWaalsContact O-N 3.14Å; D472-S476 PolarHBondContact O-OG 3.37Å
473Y97.7Very high96.9Very high7 Ų760.6 Ų60.63%0.02727%0.273CS..EExtended strand (participates in β ladder)trans-62.2-35-176.2-163.2-83.7000112.6L277 A278 I471 R497 I500 L512L277-Y473 HydrophobicContact CB-CE2 4.35Å; L277-Y473 PolarHBondContact O-OH 2.89Å; L277-Y473 VanDerWaalsContact O-OH 3.05Å; A278-Y473 HydrophobicContact CB-CD2 3.79Å; A278-Y473 HydrophobicContact CB-CE2 3.72Å; I471-Y473 PolarHBondContact O-N 2.91Å; Y473-R497 HydrophobicContact CD1-CG 4.46Å; Y473-R497 HydrophobicContact CE1-CB 4.21Å; Y473-R497 HydrophobicContact CE1-CG 4.06Å; Y473-R497 PolarHBondContact O-NH2 3.46Å; Y473-I500 HydrophobicContact CD1-CB 4.47Å; Y473-I500 HydrophobicContact CD1-CD1 4.04Å; Y473-I500 HydrophobicContact CD1-CG2 4.01Å; Y473-I500 HydrophobicContact CD2-CD1 4.26Å; Y473-I500 HydrophobicContact CE1-CD1 4.13Å; Y473-I500 HydrophobicContact CE2-CD1 4.32Å; Y473-I500 HydrophobicContact CG-CD1 4.11Å; Y473-I500 HydrophobicContact CG-CG2 4.25Å; Y473-L512 HydrophobicContact CD2-CD2 3.88Å; Y473-L512 HydrophobicContact CE2-CD2 3.99Å
474N97.1Very high96.9Very high42 Ų4261 Ų6123%0.22527%0.274CS..EExtended strand (participates in β ladder)trans-72.8-36.4-174.8-74.8-33.1000112D472 R497 H501D472-N474 VanDerWaalsContact C-N 3.28Å; D472-N474 PolarHBondContact O-N 3.4Å; D472-N474 PolarHBondContact OD1-N 2.96Å; D472-N474 VanDerWaalsContact OD1-N 3.1Å; N474-R497 PolarHBondContact O-NH1 2.86Å; N474-R497 VanDerWaalsContact O-NH1 3.13Å; N474-R497 PolarHBondContact O-NH2 3.2Å; N474-H501 WeakPolarHBondContact OD1-CA 3.29Å
475R96.4Very high97Very high129 Ų12955 Ų5549%0.48725%0.247SC..EExtended strand (participates in β ladder)trans-83.9-18.2177.3-67-175.165.9177.20.2114.1H457 D472H457-R475 HydrophobicContact CB-CB 3.95Å; H457-R475 PolarHBondContact CD2-O 2.97Å; H457-R475 PolarHBondContact CE1-NH2 3.23Å; D472-R475 HydrophobicContact CB-CB 4.39Å; D472-R475 PolarHBondContact O-N 2.63Å; D472-R475 PolarHBondContact OD1-N 3.32Å; D472-R475 WeakPolarHBondContact OD2-CD 3.26Å; D472-R475 VanDerWaalsContact OD2-CG 3.28Å; D472-R475 WeakPolarHBondContact OD2-CG 3.44Å
476S97.6Very high97Very high1 Ų154 Ų541%0.00725%0.25CS..EExtended strand (participates in β ladder)trans-83.1147.2-178.8-570000112.3E455 H457 D472 R497E455-S476 CarbonylContact O-C 3.54Å; E455-S476 VanDerWaalsContact O-CA 3.24Å; E455-S476 WeakPolarHBondContact O-CA 3.45Å; H457-S476 PolarHBondContact N-OG 2.98Å; D472-S476 WeakPolarHBondContact O-CB 3.5Å; D472-S476 PolarHBondContact O-N 2.71Å; D472-S476 VanDerWaalsContact O-N 3.14Å; D472-S476 PolarHBondContact O-OG 3.37Å; S476-R497 PolarHBondContact O-NH2 2.86Å
477G97.4Very high97Very high24 Ų2452.8 Ų52.825%0.24725%0.253CS..EExtended strand (participates in β ladder)trans175.4162.6178.500000114A278 M454 E455A278-G477 WeakPolarHBondContact O-CA 3.45Å; M454-G477 WeakPolarHBondContact CA-O 3.3Å; E455-G477 PolarHBondContact N-O 3.16Å; E455-G477 PolarHBondContact O-N 2.67Å
478T97.9Very high97Very high10 Ų1056.3 Ų56.36%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-118.9129176.1-65.50000110S279 P280 M454 L484S279-T478 VanDerWaalsContact C-OG1 3.27Å; S279-T478 WeakPolarHBondContact CA-OG1 3.47Å; P280-T478 WeakPolarHBondContact O-CB 3.48Å; P280-T478 WeakPolarHBondContact O-CG2 3.3Å; P280-T478 PolarHBondContact O-OG1 3.32Å; M454-T478 HydrophobicContact CB-CG2 4.31Å; M454-T478 VanDerWaalsContact CG-OG1 3.26Å; M454-T478 WeakPolarHBondContact CG-OG1 3.46Å; T478-L484 HydrophobicContact CG2-CD1 4.11Å
479R96.3Very high97Very high152 Ų15253 Ų5357%0.57425%0.253SS*.THydrogen-bonded Turntrans-69140172.4-64.8-172.6-177-177.85.1109.5N453 E481N453-R479 HydrophobicContact CB-CB 4.35Å; N453-R479 PolarHBondContact O-N 3.18Å; R479-E481 VanDerWaalsContact C-N 3.3Å
480K95.6Very high96.9Very high102 Ų10254.9 Ų54.944%0.44326%0.263SS..THydrogen-bonded Turntrans62.334.5179.8-60.9-63.5-171.71770113.5E482 L483K480-E482 WeakPolarHBondContact CA-OE2 3.49Å; K480-E482 WeakPolarHBondContact CD-OE1 3.43Å; K480-E482 IonicContact NZ-OE1 3.26Å; K480-E482 PolarHBondContact NZ-OE1 2.98Å; K480-E482 PolarHBondContact O-N 3.39Å; K480-E482 VanDerWaalsContact O-N 3.16Å; K480-L483 HydrophobicContact CB-CD1 4.04Å; K480-L483 HydrophobicContact CB-CG 4.36Å; K480-L483 WeakPolarHBondContact O-CB 3.48Å; K480-L483 PolarHBondContact O-N 2.89Å
481E97.2Very high96.9Very high57 Ų5760.6 Ų60.627%0.26629%0.289SS..G310 helixtrans-61-20.2179.162.3-179.6169.800113.7R479 L483 L484 T485 L490R479-E481 VanDerWaalsContact C-N 3.3Å; E481-L483 PolarHBondContact O-N 2.85Å; E481-L484 PolarHBondContact O-N 3.15Å; E481-T485 PolarHBondContact O-N 3.01Å; E481-T485 PolarHBondContact O-OG1 3.15Å; E481-L490 HydrophobicContact CG-CD1 3.76Å
482E97.2Very high96.8Very high89 Ų8961.8 Ų61.842%0.41629%0.294SS..G310 helixtrans-62-19.3172.271.8-84.6-166.500113.6K480 L490K480-E482 WeakPolarHBondContact CA-OE2 3.49Å; K480-E482 WeakPolarHBondContact CD-OE1 3.43Å; K480-E482 IonicContact NZ-OE1 3.26Å; K480-E482 PolarHBondContact NZ-OE1 2.98Å; K480-E482 PolarHBondContact O-N 3.39Å; K480-E482 VanDerWaalsContact O-N 3.16Å; E482-L490 HydrophobicContact CB-CD2 3.88Å
483L97.3Very high96.7Very high81 Ų8161.6 Ų61.642%0.42429%0.293SS..G310 helixtrans-85-14.2175-58.7-179.7000112.9H253 K480 E481H253-L483 HydrophobicContact CB-CD1 3.63Å; K480-L483 HydrophobicContact CB-CD1 4.04Å; K480-L483 HydrophobicContact CB-CG 4.36Å; K480-L483 WeakPolarHBondContact O-CB 3.48Å; K480-L483 PolarHBondContact O-N 2.89Å; E481-L483 PolarHBondContact O-N 2.85Å
484L97.8Very high96.6Very high15 Ų1568.6 Ų68.68%0.07932%0.32CS..THydrogen-bonded Turntrans-109.3-15.9-176.3-60.5179.9000112.5A254 R257 P280 T478 E481A254-L484 HydrophobicContact CB-CD2 3.9Å; A254-L484 WeakPolarHBondContact O-CD2 3.46Å; R257-L484 HydrophobicContact CB-CB 4.34Å; R257-L484 HydrophobicContact CB-CD2 4.37Å; R257-L484 WeakPolarHBondContact CD-O 3.44Å; P280-L484 HydrophobicContact CB-CB 4.32Å; P280-L484 HydrophobicContact CB-CD1 4.23Å; T478-L484 HydrophobicContact CG2-CD1 4.11Å; E481-L484 PolarHBondContact O-N 3.15Å
485T97Very high96.5Very high13 Ų1370 Ų708%0.0833%0.327CS..SBendtrans-124.5151.2-17459.60000110.7P280 E481 E489 M493P280-T485 HydrophobicContact CB-CG2 4.35Å; P280-T485 HydrophobicContact CG-CG2 3.89Å; E481-T485 PolarHBondContact O-N 3.01Å; E481-T485 PolarHBondContact O-OG1 3.15Å; T485-E489 HydrophobicContact CG2-CG 4.38Å; T485-M493 HydrophobicContact CG2-CE 3.5Å; T485-M493 VanDerWaalsContact CG2-CE 3.5Å; T485-M493 HydrophobicContact CG2-SD 4.34Å
486T96.8Very high96.5Very high88 Ų8863.9 Ų63.954%0.5430%0.303SS..  trans-70.7158.7171.568.30000109.8E488 E489 L490T486-E488 PolarHBondContact O-N 3.16Å; T486-E489 PolarHBondContact O-N 3.32Å; T486-E489 WeakPolarHBondContact OG1-CB 3.28Å; T486-E489 PolarHBondContact OG1-N 3.41Å; T486-E489 VanDerWaalsContact OG1-N 3.16Å; T486-L490 WeakPolarHBondContact O-CB 3.31Å; T486-L490 PolarHBondContact O-N 3.33Å
487Q96.2Very high96.5Very high173 Ų17367.7 Ų67.781%0.80832%0.317SS*.Hα-helixtrans-57.6-37.6176.8-173.5179.84.200112.2Q491Q487-Q491 PolarHBondContact O-N 3.43Å; Q487-Q491 VanDerWaalsContact O-N 3.08Å
488E95.1Very high96.4Very high93 Ų9372.5 Ų72.544%0.43533%0.332SS..Hα-helixtrans-66.6-46.3177.4-170.7-172.6163.700111.5T486 Q491 K492 K530T486-E488 PolarHBondContact O-N 3.16Å; E488-Q491 PolarHBondContact O-N 3.17Å; E488-K492 HydrophobicContact CG-CD 4.06Å; E488-K492 WeakPolarHBondContact O-CD 3.48Å; E488-K492 VanDerWaalsContact O-CG 3.27Å; E488-K492 WeakPolarHBondContact O-CG 3.36Å; E488-K492 PolarHBondContact O-N 2.67Å; E488-K492 WeakPolarHBondContact OE1-CE 3.29Å; E488-K492 IonicContact OE1-NZ 3.79Å; E488-K492 PolarHBondContact OE1-NZ 2.69Å; E488-K530 WeakPolarHBondContact OE1-CE 3Å; E488-K530 IonicContact OE1-NZ 2.67Å; E488-K530 PolarHBondContact OE1-NZ 2.99Å
489E96Very high96.3Very high13 Ų1375.3 Ų75.36%0.06135%0.346CS..Hα-helixtrans-61.4-45.2176.9-177.7175.2-160.500111.3R257 R259 T485 T486 Q491 K492 M493 F526R257-E489 IonicContact CZ-OE1 3.9Å; R257-E489 IonicContact NH1-OE1 3.89Å; R257-E489 PolarHBondContact NH1-OE1 3.01Å; R257-E489 IonicContact NH1-OE2 3.6Å; R257-E489 PolarHBondContact NH1-OE2 2.91Å; R257-E489 IonicContact NH2-OE1 2.69Å; R257-E489 PolarHBondContact NH2-OE1 3.23Å; R259-E489 IonicContact NH2-OE1 2.89Å; R259-E489 IonicContact NH2-OE2 3.86Å; T485-E489 HydrophobicContact CG2-CG 4.38Å; T486-E489 PolarHBondContact O-N 3.32Å; T486-E489 WeakPolarHBondContact OG1-CB 3.28Å; T486-E489 PolarHBondContact OG1-N 3.41Å; T486-E489 VanDerWaalsContact OG1-N 3.16Å; E489-Q491 VanDerWaalsContact C-N 3.33Å; E489-Q491 PolarHBondContact O-N 2.99Å; E489-K492 WeakPolarHBondContact O-CB 3.48Å; E489-K492 PolarHBondContact O-N 3.3Å; E489-K492 VanDerWaalsContact O-N 3.14Å; E489-M493 HydrophobicContact CG-CE 4.29Å; E489-M493 HydrophobicContact CG-CG 4.35Å; E489-M493 HydrophobicContact CG-SD 4.26Å; E489-M493 WeakPolarHBondContact O-CG 3.21Å; E489-M493 PolarHBondContact O-N 2.89Å; E489-F526 HydrophobicContact CG-CE2 4.09Å; E489-F526 HydrophobicContact CG-CZ 4.43Å
490L96Very high96.3Very high48 Ų4868.1 Ų68.125%0.25132%0.319SS..Hα-helixtrans-58.4-44.2177.5-174.961.5000112.1E481 E482 T486 M493 W494E481-L490 HydrophobicContact CG-CD1 3.76Å; E482-L490 HydrophobicContact CB-CD2 3.88Å; T486-L490 WeakPolarHBondContact O-CB 3.31Å; T486-L490 PolarHBondContact O-N 3.33Å; L490-M493 HydrophobicContact CB-CE 4.46Å; L490-M493 HydrophobicContact CD1-CE 3.9Å; L490-M493 PolarHBondContact O-N 2.95Å; L490-W494 WeakPolarHBondContact O-CB 3.49Å; L490-W494 PolarHBondContact O-N 3.36Å
491Q96Very high96.3Very high122 Ų12269.1 Ų69.157%0.5732%0.324SS*.Hα-helixtrans-63-43176.3-174.2178.7400111.7Q487 E488 E489 W494 I495Q487-Q491 PolarHBondContact O-N 3.43Å; Q487-Q491 VanDerWaalsContact O-N 3.08Å; E488-Q491 PolarHBondContact O-N 3.17Å; E489-Q491 VanDerWaalsContact C-N 3.33Å; E489-Q491 PolarHBondContact O-N 2.99Å; Q491-W494 PolarHBondContact O-N 3.2Å; Q491-I495 HydrophobicContact CG-CD1 4.28Å; Q491-I495 WeakPolarHBondContact O-CG1 3.5Å; Q491-I495 PolarHBondContact O-N 3.14Å
492K95.7Very high96.3Very high26 Ų2671.6 Ų71.611%0.11335%0.346CS..Hα-helixtrans-63.7-45.1177.7-71.9162.2158.5-178.90111.8E488 E489 W494 I495 L496 F526 E527E488-K492 HydrophobicContact CG-CD 4.06Å; E488-K492 WeakPolarHBondContact O-CD 3.48Å; E488-K492 VanDerWaalsContact O-CG 3.27Å; E488-K492 WeakPolarHBondContact O-CG 3.36Å; E488-K492 PolarHBondContact O-N 2.67Å; E488-K492 WeakPolarHBondContact OE1-CE 3.29Å; E488-K492 IonicContact OE1-NZ 3.79Å; E488-K492 PolarHBondContact OE1-NZ 2.69Å; E489-K492 WeakPolarHBondContact O-CB 3.48Å; E489-K492 PolarHBondContact O-N 3.3Å; E489-K492 VanDerWaalsContact O-N 3.14Å; K492-W494 VanDerWaalsContact C-N 3.31Å; K492-W494 PolarHBondContact O-N 3.26Å; K492-I495 PolarHBondContact O-N 3.38Å; K492-L496 PolarHBondContact O-N 2.85Å; K492-F526 HydrophobicContact CB-CD1 3.59Å; K492-F526 HydrophobicContact CB-CE1 3.53Å; K492-F526 HydrophobicContact CB-CE2 4.5Å; K492-F526 HydrophobicContact CB-CG 4.11Å; K492-F526 HydrophobicContact CB-CZ 3.99Å; K492-F526 HydrophobicContact CD-CB 3.68Å; K492-F526 HydrophobicContact CD-CD1 4.02Å; K492-F526 HydrophobicContact CD-CD2 3.93Å; K492-F526 HydrophobicContact CD-CE2 4.48Å; K492-F526 HydrophobicContact CD-CG 3.65Å; K492-F526 HydrophobicContact CG-CB 4.47Å; K492-F526 HydrophobicContact CG-CD1 4.15Å; K492-F526 HydrophobicContact CG-CG 4.29Å; K492-E527 IonicContact NZ-OE1 2.7Å
493M96.4Very high96.3Very high8 Ų870 Ų704%0.03934%0.339CS..Hα-helixtrans-61.3-39.6174.4-68.8-173.1-54.400111.5L277 P280 T485 E489 L490 L496 R497 F526L277-M493 HydrophobicContact CD2-CG 4.35Å; P280-M493 HydrophobicContact CG-SD 4.4Å; T485-M493 HydrophobicContact CG2-CE 3.5Å; T485-M493 VanDerWaalsContact CG2-CE 3.5Å; T485-M493 HydrophobicContact CG2-SD 4.34Å; E489-M493 HydrophobicContact CG-CE 4.29Å; E489-M493 HydrophobicContact CG-CG 4.35Å; E489-M493 HydrophobicContact CG-SD 4.26Å; E489-M493 WeakPolarHBondContact O-CG 3.21Å; E489-M493 PolarHBondContact O-N 2.89Å; L490-M493 HydrophobicContact CB-CE 4.46Å; L490-M493 HydrophobicContact CD1-CE 3.9Å; L490-M493 PolarHBondContact O-N 2.95Å; M493-L496 WeakPolarHBondContact O-CB 3.35Å; M493-L496 PolarHBondContact O-N 3.39Å; M493-R497 WeakPolarHBondContact O-CB 3.04Å; M493-R497 PolarHBondContact O-N 2.94Å; M493-F526 HydrophobicContact CG-CZ 4Å
494W95.9Very high96.2Very high155 Ų15568 Ų6859%0.58734%0.338SS*.Hα-helixtrans-64.7-44.2177.3-174.987000112.5L490 Q491 K492 L496 R497 K498L490-W494 WeakPolarHBondContact O-CB 3.49Å; L490-W494 PolarHBondContact O-N 3.36Å; Q491-W494 PolarHBondContact O-N 3.2Å; K492-W494 VanDerWaalsContact C-N 3.31Å; K492-W494 PolarHBondContact O-N 3.26Å; W494-L496 VanDerWaalsContact C-N 3.35Å; W494-R497 PolarHBondContact O-N 3.34Å; W494-K498 HydrophobicContact CD2-CG 4.26Å; W494-K498 HydrophobicContact CE3-CG 4.27Å; W494-K498 HydrophobicContact CH2-CG 4.24Å; W494-K498 HydrophobicContact CZ2-CD 4.39Å; W494-K498 HydrophobicContact CZ2-CG 4.22Å; W494-K498 HydrophobicContact CZ3-CG 4.26Å; W494-K498 WeakPolarHBondContact O-CG 3.44Å; W494-K498 PolarHBondContact O-N 3.13Å
495I95.5Very high96.1Very high72 Ų7270.6 Ų70.637%0.36935%0.35SS..Hα-helixtrans-59.3-48.1173.9-67.9166000109.9Q491 K492 R497 K498 I499Q491-I495 HydrophobicContact CG-CD1 4.28Å; Q491-I495 WeakPolarHBondContact O-CG1 3.5Å; Q491-I495 PolarHBondContact O-N 3.14Å; K492-I495 PolarHBondContact O-N 3.38Å; I495-R497 VanDerWaalsContact C-N 3.29Å; I495-R497 PolarHBondContact O-N 2.85Å; I495-K498 WeakPolarHBondContact O-CB 3.33Å; I495-K498 PolarHBondContact O-N 3.18Å; I495-K498 VanDerWaalsContact O-N 3.1Å; I495-I499 HydrophobicContact CG2-CD1 3.93Å; I495-I499 WeakPolarHBondContact O-CG1 3.46Å; I495-I499 PolarHBondContact O-N 2.86Å
496L96Very high96.1Very high0 Ų072.1 Ų72.10%036%0.357CS..Hα-helixtrans-56.2-45.1176.6-178.358.4000111.5L277 K492 M493 W494 K498 I499 I500 L512 F525 M529L277-L496 HydrophobicContact CD1-CD2 4.25Å; K492-L496 PolarHBondContact O-N 2.85Å; M493-L496 WeakPolarHBondContact O-CB 3.35Å; M493-L496 PolarHBondContact O-N 3.39Å; W494-L496 VanDerWaalsContact C-N 3.35Å; L496-K498 VanDerWaalsContact C-N 3.31Å; L496-K498 PolarHBondContact O-N 3.05Å; L496-I499 PolarHBondContact O-N 2.73Å; L496-I499 VanDerWaalsContact O-N 3.15Å; L496-I500 HydrophobicContact CD1-CD1 3.73Å; L496-I500 HydrophobicContact CD1-CG1 4.13Å; L496-I500 HydrophobicContact CD2-CD1 4.43Å; L496-I500 HydrophobicContact CG-CD1 3.79Å; L496-I500 HydrophobicContact CG-CG1 4.48Å; L496-I500 WeakPolarHBondContact O-CB 3.45Å; L496-I500 WeakPolarHBondContact O-CG1 3.48Å; L496-I500 PolarHBondContact O-N 3.1Å; L496-L512 HydrophobicContact CD1-CD1 4.42Å; L496-L512 HydrophobicContact CD2-CD1 4.11Å; L496-F525 HydrophobicContact CD1-CZ 4.03Å; L496-F525 HydrophobicContact CD2-CE1 3.99Å; L496-F525 HydrophobicContact CD2-CZ 4.13Å; L496-M529 HydrophobicContact CB-CE 3.95Å; L496-M529 HydrophobicContact CD1-CE 4.19Å; L496-M529 HydrophobicContact CD1-SD 4.22Å
497R96.3Very high96.1Very high80 Ų8072.5 Ų72.530%0.30236%0.355SS..Hα-helixtrans-61.8-37.4178-157.3171.8-141.9-74.31.6112Y473 N474 S476 M493 W494 I495 H501Y473-R497 HydrophobicContact CD1-CG 4.46Å; Y473-R497 HydrophobicContact CE1-CB 4.21Å; Y473-R497 HydrophobicContact CE1-CG 4.06Å; Y473-R497 PolarHBondContact O-NH2 3.46Å; N474-R497 PolarHBondContact O-NH1 2.86Å; N474-R497 VanDerWaalsContact O-NH1 3.13Å; N474-R497 PolarHBondContact O-NH2 3.2Å; S476-R497 PolarHBondContact O-NH2 2.86Å; M493-R497 WeakPolarHBondContact O-CB 3.04Å; M493-R497 PolarHBondContact O-N 2.94Å; W494-R497 PolarHBondContact O-N 3.34Å; I495-R497 VanDerWaalsContact C-N 3.29Å; I495-R497 PolarHBondContact O-N 2.85Å; R497-H501 WeakPolarHBondContact O-CB 3.18Å; R497-H501 PolarHBondContact O-N 3.19Å
498K96.1Very high96.2Very high125 Ų12564.4 Ų64.454%0.54332%0.318SS..Hα-helixtrans-68.2-34.1174.8-69.5-63.9-175.6-177.70113.1W494 I495 L496 P502W494-K498 HydrophobicContact CD2-CG 4.26Å; W494-K498 HydrophobicContact CE3-CG 4.27Å; W494-K498 HydrophobicContact CH2-CG 4.24Å; W494-K498 HydrophobicContact CZ2-CD 4.39Å; W494-K498 HydrophobicContact CZ2-CG 4.22Å; W494-K498 HydrophobicContact CZ3-CG 4.26Å; W494-K498 WeakPolarHBondContact O-CG 3.44Å; W494-K498 PolarHBondContact O-N 3.13Å; I495-K498 WeakPolarHBondContact O-CB 3.33Å; I495-K498 PolarHBondContact O-N 3.18Å; I495-K498 VanDerWaalsContact O-N 3.1Å; L496-K498 VanDerWaalsContact C-N 3.31Å; L496-K498 PolarHBondContact O-N 3.05Å; K498-P502 VanDerWaalsContact O-CD 3.28Å; K498-P502 WeakPolarHBondContact O-CD 3.48Å
499I95.5Very high96.3Very high70 Ų7060 Ų6036%0.35930%0.298SS..Hα-helixtrans-71.7-41.9175.8-66.1167.4000110.8I495 L496 P502 M503 F511I495-I499 HydrophobicContact CG2-CD1 3.93Å; I495-I499 WeakPolarHBondContact O-CG1 3.46Å; I495-I499 PolarHBondContact O-N 2.86Å; L496-I499 PolarHBondContact O-N 2.73Å; L496-I499 VanDerWaalsContact O-N 3.15Å; I499-P502 WeakPolarHBondContact O-CD 3.39Å; I499-M503 HydrophobicContact CG2-CE 4Å; I499-F511 HydrophobicContact CG2-CE1 4.11Å; I499-F511 HydrophobicContact CG2-CZ 4.09Å
500I96.5Very high96.4Very high1 Ų162.4 Ų62.41%0.00531%0.309CS..Hα-helixtrans-74.3-36.3-177.9-74.1175.7000112.2Y473 L496 P502 M503 A508 F511 L512Y473-I500 HydrophobicContact CD1-CB 4.47Å; Y473-I500 HydrophobicContact CD1-CD1 4.04Å; Y473-I500 HydrophobicContact CD1-CG2 4.01Å; Y473-I500 HydrophobicContact CD2-CD1 4.26Å; Y473-I500 HydrophobicContact CE1-CD1 4.13Å; Y473-I500 HydrophobicContact CE2-CD1 4.32Å; Y473-I500 HydrophobicContact CG-CD1 4.11Å; Y473-I500 HydrophobicContact CG-CG2 4.25Å; L496-I500 HydrophobicContact CD1-CD1 3.73Å; L496-I500 HydrophobicContact CD1-CG1 4.13Å; L496-I500 HydrophobicContact CD2-CD1 4.43Å; L496-I500 HydrophobicContact CG-CD1 3.79Å; L496-I500 HydrophobicContact CG-CG1 4.48Å; L496-I500 WeakPolarHBondContact O-CB 3.45Å; L496-I500 WeakPolarHBondContact O-CG1 3.48Å; L496-I500 PolarHBondContact O-N 3.1Å; I500-P502 VanDerWaalsContact C-CD 3.47Å; I500-M503 VanDerWaalsContact O-CB 3.32Å; I500-M503 WeakPolarHBondContact O-CB 3.36Å; I500-M503 PolarHBondContact O-N 3.36Å; I500-A508 HydrophobicContact CG2-CB 3.73Å; I500-F511 HydrophobicContact CG1-CD1 4.43Å; I500-L512 HydrophobicContact CD1-CD1 4.44Å; I500-L512 HydrophobicContact CD1-CD2 4.35Å
501H96.8Very high96.4Very high122 Ų12262.8 Ų62.857%0.56531%0.309SS*.THydrogen-bonded Turntrans-53.8-39.4-171.2-177.4-76.3000115.8N474 R497 M503N474-H501 WeakPolarHBondContact OD1-CA 3.29Å; R497-H501 WeakPolarHBondContact O-CB 3.18Å; R497-H501 PolarHBondContact O-N 3.19Å; H501-M503 VanDerWaalsContact C-N 3.29Å; H501-M503 PolarHBondContact O-N 2.67Å
502P97.2Very high96.4Very high110 Ų11057 Ų5771%0.71428%0.281SS*.THydrogen-bonded Turntrans-73.2-16.3176.9-18.133.3000114.5K498 I499 I500K498-P502 VanDerWaalsContact O-CD 3.28Å; K498-P502 WeakPolarHBondContact O-CD 3.48Å; I499-P502 WeakPolarHBondContact O-CD 3.39Å; I500-P502 VanDerWaalsContact C-CD 3.47Å
503M96.6Very high96.4Very high56 Ų5657.1 Ų57.128%0.27628%0.283SS..SBendtrans-78150.1-178.7-56.8177.8179.500110.7I499 I500 H501 D507 A508 F511I499-M503 HydrophobicContact CG2-CE 4Å; I500-M503 VanDerWaalsContact O-CB 3.32Å; I500-M503 WeakPolarHBondContact O-CB 3.36Å; I500-M503 PolarHBondContact O-N 3.36Å; H501-M503 VanDerWaalsContact C-N 3.29Å; H501-M503 PolarHBondContact O-N 2.67Å; M503-D507 HydrophobicContact CB-CB 4.4Å; M503-A508 HydrophobicContact CB-CB 4.09Å; M503-F511 HydrophobicContact CE-CD1 4.14Å; M503-F511 HydrophobicContact CE-CD2 4.1Å; M503-F511 HydrophobicContact CE-CE1 4.38Å; M503-F511 HydrophobicContact CE-CE2 4.34Å; M503-F511 HydrophobicContact CE-CG 3.99Å; M503-F511 HydrophobicContact CE-CZ 4.47Å; M503-F511 HydrophobicContact SD-CB 4.01Å; M503-F511 HydrophobicContact SD-CD1 4.14Å; M503-F511 HydrophobicContact SD-CG 4.02Å
504G95.6Very high96.3Very high39 Ų3961.5 Ų61.540%0.40231%0.307SS..  trans-65.2155.9167.400000111.2I506 D507 A508G504-I506 VanDerWaalsContact C-N 3.25Å; G504-I506 PolarHBondContact O-N 3.2Å; G504-I506 VanDerWaalsContact O-N 3.15Å; G504-D507 PolarHBondContact O-N 3.47Å; G504-D507 VanDerWaalsContact O-N 3.13Å; G504-A508 VanDerWaalsContact O-CB 3.29Å; G504-A508 WeakPolarHBondContact O-CB 3.32Å; G504-A508 PolarHBondContact O-N 2.86Å
505E95.4Very high96.3Very high69 Ų6957.6 Ų57.632%0.32229%0.294SS..Hα-helixtrans-49.8-42.5-178.1-74.4173-145.400113.8S459 I462 M509S459-E505 VanDerWaalsContact CB-OE2 3.3Å; S459-E505 WeakPolarHBondContact CB-OE2 3.07Å; S459-E505 PolarHBondContact OG-OE2 3.14Å; I462-E505 HydrophobicContact CD1-CB 4.06Å; I462-E505 WeakPolarHBondContact CD1-O 3.42Å; I462-E505 HydrophobicContact CG1-CB 4.25Å; E505-M509 PolarHBondContact O-N 3.05Å
506I96.8Very high96.3Very high45 Ų4554.2 Ų54.223%0.23128%0.277CS..Hα-helixtrans-70.3-49.5-179.7-62.2173.5000110.5K461 I462 K465 G504 A508 M509 E510K461-I506 HydrophobicContact CB-CD1 4.5Å; I462-I506 HydrophobicContact CG1-CG1 4.17Å; K465-I506 HydrophobicContact CD-CD1 4.38Å; K465-I506 HydrophobicContact CD-CG2 3.55Å; G504-I506 VanDerWaalsContact C-N 3.25Å; G504-I506 PolarHBondContact O-N 3.2Å; G504-I506 VanDerWaalsContact O-N 3.15Å; I506-A508 VanDerWaalsContact C-N 3.29Å; I506-A508 PolarHBondContact O-N 3.44Å; I506-M509 PolarHBondContact O-N 2.81Å; I506-E510 PolarHBondContact O-N 3.48Å
507D97.4Very high96.1Very high95 Ų9557.4 Ų57.451%0.50830%0.303SS..Hα-helixtrans-64.1-37.5-177.5-56.9-26.8000111.1M503 G504 E510 F511M503-D507 HydrophobicContact CB-CB 4.4Å; G504-D507 PolarHBondContact O-N 3.47Å; G504-D507 VanDerWaalsContact O-N 3.13Å; D507-E510 PolarHBondContact O-N 3.33Å; D507-F511 WeakPolarHBondContact O-CB 3.28Å; D507-F511 PolarHBondContact O-N 2.96Å
508A97.5Very high96Very high4 Ų459.2 Ų59.23%0.03332%0.316CS..Hα-helixtrans-57.4-49.6174.300000111.9I500 M503 G504 I506 L512I500-A508 HydrophobicContact CG2-CB 3.73Å; M503-A508 HydrophobicContact CB-CB 4.09Å; G504-A508 VanDerWaalsContact O-CB 3.29Å; G504-A508 WeakPolarHBondContact O-CB 3.32Å; G504-A508 PolarHBondContact O-N 2.86Å; I506-A508 VanDerWaalsContact C-N 3.29Å; I506-A508 PolarHBondContact O-N 3.44Å; A508-L512 WeakPolarHBondContact O-CB 3.27Å; A508-L512 PolarHBondContact O-N 3.45Å
509M97.5Very high95.9Very high1 Ų154 Ų541%0.00530%0.295CS..Hα-helixtrans-71.2-39.2-179.3-77.1-51.4-45.500112.6V274 I462 V467 P469 I471 E505 I506 L512 I513V274-M509 HydrophobicContact CG1-CE 4.25Å; V274-M509 HydrophobicContact CG2-CE 4.44Å; I462-M509 HydrophobicContact CD1-CB 4.43Å; I462-M509 HydrophobicContact CD1-CG 3.72Å; I462-M509 HydrophobicContact CG2-CB 4.3Å; I462-M509 HydrophobicContact CG2-CG 4.38Å; V467-M509 HydrophobicContact CG1-CB 4.23Å; P469-M509 HydrophobicContact CG-CE 4.14Å; P469-M509 VanDerWaalsContact O-CE 3.3Å; P469-M509 WeakPolarHBondContact O-CE 3.36Å; I471-M509 HydrophobicContact CB-SD 4.19Å; I471-M509 WeakPolarHBondContact O-CG 3.4Å; E505-M509 PolarHBondContact O-N 3.05Å; I506-M509 PolarHBondContact O-N 2.81Å; M509-L512 HydrophobicContact CE-CD2 4.41Å; M509-L512 PolarHBondContact O-N 3.21Å; M509-L512 HydrophobicContact SD-CD2 4.44Å; M509-I513 HydrophobicContact CE-CD1 4.06Å; M509-I513 HydrophobicContact CE-CG1 4.06Å; M509-I513 WeakPolarHBondContact O-CB 3.33Å; M509-I513 WeakPolarHBondContact O-CD1 3.33Å; M509-I513 VanDerWaalsContact O-CG1 3.24Å; M509-I513 WeakPolarHBondContact O-CG1 3.43Å; M509-I513 PolarHBondContact O-N 3.41Å
510E96.7Very high95.8Very high62 Ų6257.5 Ų57.529%0.2931%0.308SS..Hα-helixtrans-62.6-43.9174-72.7-179.3-176.100111.4K465 V467 I506 D507 N514K465-E510 WeakPolarHBondContact CE-OE1 3.44Å; K465-E510 IonicContact NZ-OE1 3.38Å; K465-E510 PolarHBondContact NZ-OE1 2.98Å; K465-E510 IonicContact NZ-OE2 2.67Å; V467-E510 HydrophobicContact CG1-CG 4.43Å; V467-E510 HydrophobicContact CG2-CG 4.24Å; I506-E510 PolarHBondContact O-N 3.48Å; D507-E510 PolarHBondContact O-N 3.33Å; E510-N514 VanDerWaalsContact O-CB 3.25Å; E510-N514 WeakPolarHBondContact O-CB 3.38Å; E510-N514 PolarHBondContact O-N 3.39Å; E510-N514 PolarHBondContact O-ND2 3.39Å; E510-N514 VanDerWaalsContact O-ND2 3.07Å
511F96.6Very high95.8Very high56 Ų5658.9 Ų58.925%0.24632%0.316CS..Hα-helixtrans-57.6-50.3173.9170.9-97.4000111.5I499 I500 M503 D507 N514 K515I499-F511 HydrophobicContact CG2-CE1 4.11Å; I499-F511 HydrophobicContact CG2-CZ 4.09Å; I500-F511 HydrophobicContact CG1-CD1 4.43Å; M503-F511 HydrophobicContact CE-CD1 4.14Å; M503-F511 HydrophobicContact CE-CD2 4.1Å; M503-F511 HydrophobicContact CE-CE1 4.38Å; M503-F511 HydrophobicContact CE-CE2 4.34Å; M503-F511 HydrophobicContact CE-CG 3.99Å; M503-F511 HydrophobicContact CE-CZ 4.47Å; M503-F511 HydrophobicContact SD-CB 4.01Å; M503-F511 HydrophobicContact SD-CD1 4.14Å; M503-F511 HydrophobicContact SD-CG 4.02Å; D507-F511 WeakPolarHBondContact O-CB 3.28Å; D507-F511 PolarHBondContact O-N 2.96Å; F511-N514 PolarHBondContact O-N 3.06Å; F511-K515 HydrophobicContact CD2-CG 4.43Å; F511-K515 HydrophobicContact CE1-CG 4.31Å; F511-K515 HydrophobicContact CE2-CG 4.07Å; F511-K515 HydrophobicContact CZ-CG 4Å; F511-K515 WeakPolarHBondContact O-CG 3.47Å; F511-K515 PolarHBondContact O-N 3.32Å
512L96.2Very high95.8Very high0 Ų053.1 Ų53.10%029%0.289CS..Hα-helixtrans-65.2-47.1-176.9-176.459.7000111.7V274 Y473 L496 I500 A508 M509 N514 K515 L516V274-L512 HydrophobicContact CG1-CD2 3.91Å; V274-L512 HydrophobicContact CG2-CD2 3.99Å; V274-L512 HydrophobicContact CG2-CG 4.39Å; Y473-L512 HydrophobicContact CD2-CD2 3.88Å; Y473-L512 HydrophobicContact CE2-CD2 3.99Å; L496-L512 HydrophobicContact CD1-CD1 4.42Å; L496-L512 HydrophobicContact CD2-CD1 4.11Å; I500-L512 HydrophobicContact CD1-CD1 4.44Å; I500-L512 HydrophobicContact CD1-CD2 4.35Å; A508-L512 WeakPolarHBondContact O-CB 3.27Å; A508-L512 PolarHBondContact O-N 3.45Å; M509-L512 HydrophobicContact CE-CD2 4.41Å; M509-L512 PolarHBondContact O-N 3.21Å; M509-L512 HydrophobicContact SD-CD2 4.44Å; L512-N514 VanDerWaalsContact C-N 3.34Å; L512-N514 PolarHBondContact O-N 3.23Å; L512-K515 PolarHBondContact O-N 2.74Å; L512-L516 HydrophobicContact CD1-CD1 3.92Å; L512-L516 HydrophobicContact CD1-CG 3.99Å; L512-L516 HydrophobicContact CG-CD1 3.84Å; L512-L516 HydrophobicContact CG-CG 4.3Å; L512-L516 WeakPolarHBondContact O-CB 3.49Å; L512-L516 VanDerWaalsContact O-CG 3.31Å; L512-L516 WeakPolarHBondContact O-CG 3.48Å; L512-L516 PolarHBondContact O-N 2.7Å
513I95.5Very high95.7Very high29 Ų2952.3 Ų52.315%0.14928%0.279CS..Hα-helixtrans-59.8-46.2178-70.8165.7000110.3V467 F468 M509 K515 L516 A517V467-I513 HydrophobicContact CG1-CD1 3.56Å; F468-I513 WeakPolarHBondContact O-CD1 3.48Å; M509-I513 HydrophobicContact CE-CD1 4.06Å; M509-I513 HydrophobicContact CE-CG1 4.06Å; M509-I513 WeakPolarHBondContact O-CB 3.33Å; M509-I513 WeakPolarHBondContact O-CD1 3.33Å; M509-I513 VanDerWaalsContact O-CG1 3.24Å; M509-I513 WeakPolarHBondContact O-CG1 3.43Å; M509-I513 PolarHBondContact O-N 3.41Å; I513-K515 VanDerWaalsContact C-N 3.3Å; I513-K515 PolarHBondContact O-N 3.48Å; I513-L516 PolarHBondContact O-N 3.16Å; I513-A517 VanDerWaalsContact O-CB 3.25Å; I513-A517 WeakPolarHBondContact O-CB 3.21Å; I513-A517 PolarHBondContact O-N 2.89Å
514N94.6Very high95.6Very high100 Ų10053.8 Ų53.854%0.53529%0.288SS..Hα-helixtrans-61.2-39179.1-73.7-24.5000112.1E510 F511 L512 M518E510-N514 VanDerWaalsContact O-CB 3.25Å; E510-N514 WeakPolarHBondContact O-CB 3.38Å; E510-N514 PolarHBondContact O-N 3.39Å; E510-N514 PolarHBondContact O-ND2 3.39Å; E510-N514 VanDerWaalsContact O-ND2 3.07Å; F511-N514 PolarHBondContact O-N 3.06Å; L512-N514 VanDerWaalsContact C-N 3.34Å; L512-N514 PolarHBondContact O-N 3.23Å; N514-M518 WeakPolarHBondContact O-CG 3.44Å
515K94.9Very high95.6Very high74 Ų7452.1 Ų52.132%0.32227%0.27SS..Hα-helixtrans-71.6-43.1177-71.4-66.2-177.4-177.40112.6F511 L512 I513 A517 M518 F525F511-K515 HydrophobicContact CD2-CG 4.43Å; F511-K515 HydrophobicContact CE1-CG 4.31Å; F511-K515 HydrophobicContact CE2-CG 4.07Å; F511-K515 HydrophobicContact CZ-CG 4Å; F511-K515 WeakPolarHBondContact O-CG 3.47Å; F511-K515 PolarHBondContact O-N 3.32Å; L512-K515 PolarHBondContact O-N 2.74Å; I513-K515 VanDerWaalsContact C-N 3.3Å; I513-K515 PolarHBondContact O-N 3.48Å; K515-A517 VanDerWaalsContact C-N 3.32Å; K515-A517 PolarHBondContact O-N 3.35Å; K515-M518 HydrophobicContact CD-SD 4.4Å; K515-M518 WeakPolarHBondContact O-CB 3.39Å; K515-M518 PolarHBondContact O-N 3.45Å; K515-F525 HydrophobicContact CB-CD2 4.21Å; K515-F525 HydrophobicContact CB-CE2 3.76Å
516L95.8Very high95.5Very high1 Ų148.9 Ų48.91%0.00526%0.255CS..Hα-helixtrans-68.1-32.1178.8-67.6176.3000112.1L270 R273 V274 L277 L512 I513 M518 T519 F525L270-L516 HydrophobicContact CD2-CB 4.12Å; R273-L516 PolarHBondContact NH1-O 3.2Å; R273-L516 PolarHBondContact NH2-O 3.26Å; R273-L516 VanDerWaalsContact NH2-O 3.08Å; V274-L516 HydrophobicContact CG2-CD1 3.5Å; V274-L516 VanDerWaalsContact CG2-CD1 3.5Å; L277-L516 HydrophobicContact CD1-CD1 4.4Å; L277-L516 HydrophobicContact CD1-CD2 4Å; L512-L516 HydrophobicContact CD1-CD1 3.92Å; L512-L516 HydrophobicContact CD1-CG 3.99Å; L512-L516 HydrophobicContact CG-CD1 3.84Å; L512-L516 HydrophobicContact CG-CG 4.3Å; L512-L516 WeakPolarHBondContact O-CB 3.49Å; L512-L516 VanDerWaalsContact O-CG 3.31Å; L512-L516 WeakPolarHBondContact O-CG 3.48Å; L512-L516 PolarHBondContact O-N 2.7Å; I513-L516 PolarHBondContact O-N 3.16Å; L516-M518 PolarHBondContact O-N 3.31Å; L516-T519 CarbonylContact O-C 3.53Å; L516-T519 PolarHBondContact O-N 2.93Å; L516-T519 VanDerWaalsContact O-N 3.14Å; L516-T519 PolarHBondContact O-OG1 3.36Å; L516-F525 HydrophobicContact CD2-CB 4.11Å; L516-F525 HydrophobicContact CD2-CD1 3.82Å; L516-F525 HydrophobicContact CD2-CD2 4.04Å; L516-F525 HydrophobicContact CD2-CE1 4.25Å; L516-F525 HydrophobicContact CD2-CE2 4.46Å; L516-F525 HydrophobicContact CD2-CG 3.7Å
517A92.9Very high95.3Very high67 Ų6750.4 Ų50.455%0.55426%0.261SS*.THydrogen-bonded Turntrans-67-18.2176.400000113.6I513 K515 T519I513-A517 VanDerWaalsContact O-CB 3.25Å; I513-A517 WeakPolarHBondContact O-CB 3.21Å; I513-A517 PolarHBondContact O-N 2.89Å; K515-A517 VanDerWaalsContact C-N 3.32Å; K515-A517 PolarHBondContact O-N 3.35Å; A517-T519 PolarHBondContact O-N 2.98Å
518M93.5Very high94.9Very high117 Ų11749.9 Ų49.958%0.57626%0.256SS*.THydrogen-bonded Turntrans-73.8-16.5173.8-63.4177.5-177.600112.6N514 K515 L516 M528N514-M518 WeakPolarHBondContact O-CG 3.44Å; K515-M518 HydrophobicContact CD-SD 4.4Å; K515-M518 WeakPolarHBondContact O-CB 3.39Å; K515-M518 PolarHBondContact O-N 3.45Å; L516-M518 PolarHBondContact O-N 3.31Å; M518-M528 HydrophobicContact CB-CE 4.28Å; M518-M528 HydrophobicContact CB-SD 4.41Å; M518-M528 HydrophobicContact SD-CE 4.2Å
519T94.5Very high94.3Very high17 Ų1751.7 Ų51.710%0.10427%0.265CS..  trans-129.7159-177.570.90000111.7R273 L516 A517 T521 D524 F525 M528R273-T519 PolarHBondContact NH1-O 3.46Å; R273-T519 PolarHBondContact NH2-OG1 2.84Å; L516-T519 CarbonylContact O-C 3.53Å; L516-T519 PolarHBondContact O-N 2.93Å; L516-T519 VanDerWaalsContact O-N 3.14Å; L516-T519 PolarHBondContact O-OG1 3.36Å; A517-T519 PolarHBondContact O-N 2.98Å; T519-T521 PolarHBondContact OG1-O 3.38Å; T519-D524 HydrophobicContact CG2-CB 3.92Å; T519-F525 HydrophobicContact CG2-CB 4.3Å; T519-M528 HydrophobicContact CG2-CG 4.28Å; T519-M528 HydrophobicContact CG2-SD 3.28Å; T519-M528 WeakPolarHBondContact CG2-SD 3.17Å
520K93.9Very high93.5Very high142 Ų14256.9 Ų56.962%0.61729%0.287SS*.SBendtrans-84.5-31.7174.4-67.9-174.1179.1-177.20112.2R273R273-K520 PolarHBondContact NH1-O 3.14Å
521T96.5Very high92Very high31 Ų3164.4 Ų64.419%0.1931%0.313CS..SBendtrans-124.4161.5-175.168.70000112.5E261 R273 T519 D523 D524 F525E261-T521 WeakPolarHBondContact OE1-CA 3.32Å; E261-T521 WeakPolarHBondContact OE1-CB 3.41Å; R273-T521 PolarHBondContact NH2-O 2.82Å; T519-T521 PolarHBondContact OG1-O 3.38Å; T521-D523 VanDerWaalsContact C-N 3.33Å; T521-D524 WeakPolarHBondContact OG1-CB 3.47Å; T521-D524 PolarHBondContact OG1-N 3.01Å; T521-D524 PolarHBondContact OG1-OD2 3.19Å; T521-D524 VanDerWaalsContact OG1-OD2 3.1Å; T521-F525 PolarHBondContact O-N 3.07Å
522N96.2Very high90.1Very high0 Ų068.6 Ų68.60%035%0.349CS..Hα-helixtrans-68.7-31.5172.9-75.6-11.9000112.2E261 R273 L277 F525 F526E261-N522 PolarHBondContact OE1-N 2.91Å; R273-N522 WeakPolarHBondContact CB-OD1 3.49Å; R273-N522 PolarHBondContact NE-OD1 3.25Å; R273-N522 PolarHBondContact O-ND2 2.95Å; R273-N522 VanDerWaalsContact O-ND2 3.13Å; L277-N522 HydrophobicContact CD2-CB 4.49Å; N522-F525 WeakPolarHBondContact O-CB 3.35Å; N522-F525 PolarHBondContact O-N 3.04Å; N522-F526 WeakPolarHBondContact O-CB 3.14Å; N522-F526 WeakPolarHBondContact O-CD2 3.35Å; N522-F526 WeakPolarHBondContact O-CG 3.43Å; N522-F526 PolarHBondContact O-N 2.93Å
523D95Very high89.8Confident93 Ų9372.1 Ų72.150%0.49737%0.367SS..Hα-helixtrans-64.2-46.5176-71.1-21000111.4T521 F525 F526 E527T521-D523 VanDerWaalsContact C-N 3.33Å; D523-F525 VanDerWaalsContact C-N 3.31Å; D523-F525 PolarHBondContact O-N 3.46Å; D523-F526 PolarHBondContact O-N 2.86Å; D523-E527 PolarHBondContact O-N 3.15Å
524D94.3Very high89.4Confident87 Ų8774.3 Ų74.347%0.46538%0.378SS..Hα-helixtrans-61.5-40.2174.8-69.4-26.7000111.7T519 T521 F526 E527 M528T519-D524 HydrophobicContact CG2-CB 3.92Å; T521-D524 WeakPolarHBondContact OG1-CB 3.47Å; T521-D524 PolarHBondContact OG1-N 3.01Å; T521-D524 PolarHBondContact OG1-OD2 3.19Å; T521-D524 VanDerWaalsContact OG1-OD2 3.1Å; D524-F526 VanDerWaalsContact C-N 3.34Å; D524-E527 PolarHBondContact O-N 3.38Å; D524-M528 WeakPolarHBondContact O-CG 3.28Å; D524-M528 PolarHBondContact O-N 3.16Å
525F95.2Very high89.2Confident4 Ų472.9 Ų72.92%0.01837%0.37CS..Hα-helixtrans-62.2-43.4176.9159.7-105.2000111.3L277 L496 K515 L516 T519 T521 N522 D523 E527 M528 M529L277-F525 HydrophobicContact CD1-CD1 4.47Å; L277-F525 HydrophobicContact CD1-CE1 4.26Å; L496-F525 HydrophobicContact CD1-CZ 4.03Å; L496-F525 HydrophobicContact CD2-CE1 3.99Å; L496-F525 HydrophobicContact CD2-CZ 4.13Å; K515-F525 HydrophobicContact CB-CD2 4.21Å; K515-F525 HydrophobicContact CB-CE2 3.76Å; L516-F525 HydrophobicContact CD2-CB 4.11Å; L516-F525 HydrophobicContact CD2-CD1 3.82Å; L516-F525 HydrophobicContact CD2-CD2 4.04Å; L516-F525 HydrophobicContact CD2-CE1 4.25Å; L516-F525 HydrophobicContact CD2-CE2 4.46Å; L516-F525 HydrophobicContact CD2-CG 3.7Å; T519-F525 HydrophobicContact CG2-CB 4.3Å; T521-F525 PolarHBondContact O-N 3.07Å; N522-F525 WeakPolarHBondContact O-CB 3.35Å; N522-F525 PolarHBondContact O-N 3.04Å; D523-F525 VanDerWaalsContact C-N 3.31Å; D523-F525 PolarHBondContact O-N 3.46Å; F525-E527 VanDerWaalsContact C-N 3.34Å; F525-E527 PolarHBondContact O-N 3.13Å; F525-M528 WeakPolarHBondContact O-CB 3.44Å; F525-M528 PolarHBondContact O-N 3.36Å; F525-M529 HydrophobicContact CD2-CG 4.36Å; F525-M529 HydrophobicContact CE1-CE 4.22Å; F525-M529 HydrophobicContact CE1-CG 4.43Å; F525-M529 HydrophobicContact CE1-SD 4.37Å; F525-M529 HydrophobicContact CE2-CG 3.8Å; F525-M529 HydrophobicContact CE2-SD 3.99Å; F525-M529 HydrophobicContact CZ-CE 4Å; F525-M529 HydrophobicContact CZ-CG 3.86Å; F525-M529 HydrophobicContact CZ-SD 3.61Å; F525-M529 PolarHBondContact O-N 3.1Å
526F94.1Very high88.8Confident2 Ų272.8 Ų72.81%0.00937%0.373CS..Hα-helixtrans-65.7-35.5176.8-74.7-40.2000113.1L277 E489 K492 M493 N522 D523 D524 M529 K530L277-F526 HydrophobicContact CD2-CE1 3.88Å; L277-F526 HydrophobicContact CD2-CE2 3.86Å; L277-F526 HydrophobicContact CD2-CZ 3.21Å; E489-F526 HydrophobicContact CG-CE2 4.09Å; E489-F526 HydrophobicContact CG-CZ 4.43Å; K492-F526 HydrophobicContact CB-CD1 3.59Å; K492-F526 HydrophobicContact CB-CE1 3.53Å; K492-F526 HydrophobicContact CB-CE2 4.5Å; K492-F526 HydrophobicContact CB-CG 4.11Å; K492-F526 HydrophobicContact CB-CZ 3.99Å; K492-F526 HydrophobicContact CD-CB 3.68Å; K492-F526 HydrophobicContact CD-CD1 4.02Å; K492-F526 HydrophobicContact CD-CD2 3.93Å; K492-F526 HydrophobicContact CD-CE2 4.48Å; K492-F526 HydrophobicContact CD-CG 3.65Å; K492-F526 HydrophobicContact CG-CB 4.47Å; K492-F526 HydrophobicContact CG-CD1 4.15Å; K492-F526 HydrophobicContact CG-CG 4.29Å; M493-F526 HydrophobicContact CG-CZ 4Å; N522-F526 WeakPolarHBondContact O-CB 3.14Å; N522-F526 WeakPolarHBondContact O-CD2 3.35Å; N522-F526 WeakPolarHBondContact O-CG 3.43Å; N522-F526 PolarHBondContact O-N 2.93Å; D523-F526 PolarHBondContact O-N 2.86Å; D524-F526 VanDerWaalsContact C-N 3.34Å; F526-M529 HydrophobicContact CD1-CE 4.48Å; F526-M529 PolarHBondContact O-N 3.35Å; F526-K530 PolarHBondContact O-N 2.78Å
527E92.4Very high88.4Confident77 Ų7777.3 Ų77.336%0.3640%0.396SS..Hα-helixtrans-67.5-35.2172.9-73.3-54130.300112.5K492 D523 D524 F525 K530K492-E527 IonicContact NZ-OE1 2.7Å; D523-E527 PolarHBondContact O-N 3.15Å; D524-E527 PolarHBondContact O-N 3.38Å; F525-E527 VanDerWaalsContact C-N 3.34Å; F525-E527 PolarHBondContact O-N 3.13Å; E527-K530 PolarHBondContact O-N 3.47Å; E527-K530 IonicContact OE1-NZ 2.72Å; E527-K530 PolarHBondContact OE1-NZ 2.72Å; E527-K530 IonicContact OE2-NZ 2.74Å
528M89.9Confident88.1Confident83 Ų8378 Ų7841%0.40939%0.385SS..Hα-helixtrans-64.5-38.8172.4-74.3-174.665.700112.7M518 T519 D524 F525 K530 R531 S532M518-M528 HydrophobicContact CB-CE 4.28Å; M518-M528 HydrophobicContact CB-SD 4.41Å; M518-M528 HydrophobicContact SD-CE 4.2Å; T519-M528 HydrophobicContact CG2-CG 4.28Å; T519-M528 HydrophobicContact CG2-SD 3.28Å; T519-M528 WeakPolarHBondContact CG2-SD 3.17Å; D524-M528 WeakPolarHBondContact O-CG 3.28Å; D524-M528 PolarHBondContact O-N 3.16Å; F525-M528 WeakPolarHBondContact O-CB 3.44Å; F525-M528 PolarHBondContact O-N 3.36Å; M528-K530 VanDerWaalsContact C-N 3.3Å; M528-K530 PolarHBondContact O-N 3.02Å; M528-R531 PolarHBondContact O-N 3.08Å; M528-S532 PolarHBondContact O-N 3.03Å; M528-S532 PolarHBondContact O-OG 3.26Å
529M84.8Confident87.7Confident42 Ų4275.2 Ų75.221%0.20737%0.371CS..Hα-helixtrans-67.3-26.8178-69.9-133.6-58.900113.5L496 F525 F526 R531L496-M529 HydrophobicContact CB-CE 3.95Å; L496-M529 HydrophobicContact CD1-CE 4.19Å; L496-M529 HydrophobicContact CD1-SD 4.22Å; F525-M529 HydrophobicContact CD2-CG 4.36Å; F525-M529 HydrophobicContact CE1-CE 4.22Å; F525-M529 HydrophobicContact CE1-CG 4.43Å; F525-M529 HydrophobicContact CE1-SD 4.37Å; F525-M529 HydrophobicContact CE2-CG 3.8Å; F525-M529 HydrophobicContact CE2-SD 3.99Å; F525-M529 HydrophobicContact CZ-CE 4Å; F525-M529 HydrophobicContact CZ-CG 3.86Å; F525-M529 HydrophobicContact CZ-SD 3.61Å; F525-M529 PolarHBondContact O-N 3.1Å; F526-M529 HydrophobicContact CD1-CE 4.48Å; F526-M529 PolarHBondContact O-N 3.35Å; M529-R531 VanDerWaalsContact C-N 3.27Å; M529-R531 PolarHBondContact O-N 2.99Å
530K79.7Confident87.2Confident110 Ų11079.7 Ų79.748%0.47839%0.392SS..Hα-helixtrans-69-26.3174.1-71.6178.4-178.51680113.2E488 F526 E527 M528E488-K530 WeakPolarHBondContact OE1-CE 3Å; E488-K530 IonicContact OE1-NZ 2.67Å; E488-K530 PolarHBondContact OE1-NZ 2.99Å; F526-K530 PolarHBondContact O-N 2.78Å; E527-K530 PolarHBondContact O-N 3.47Å; E527-K530 IonicContact OE1-NZ 2.72Å; E527-K530 PolarHBondContact OE1-NZ 2.72Å; E527-K530 IonicContact OE2-NZ 2.74Å; M528-K530 VanDerWaalsContact C-N 3.3Å; M528-K530 PolarHBondContact O-N 3.02Å
531R65.1Low86.6Confident220 Ų22074.5 Ų74.583%0.8337%0.373SS*.THydrogen-bonded Turntrans-90.8-9.3-176.6-63.6-179.9-176.4-174.21.7113.2M528 M529M528-R531 PolarHBondContact O-N 3.08Å; M529-R531 VanDerWaalsContact C-N 3.27Å; M529-R531 PolarHBondContact O-N 2.99Å
532S56.2Low85.7Confident145 Ų14578.5 Ų78.5100%1.01439%0.39SS*.  trans-1040-178.1-49.40000109.6M528M528-S532 PolarHBondContact O-N 3.03Å; M528-S532 PolarHBondContact O-OG 3.26Å

Retrieved 532 of 532 residues in 584.1 ms (Link to these results)

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