A0A096MW21_PAPAN Loading...

Protein tyrosine phosphatase 4A2

AlphaFold DB (A0A2R9AL38), UniProt , Accession A0A096MW21, Species PAPAN (Papio anubis, Olive baboon), Gene PTP4A2, Length 142 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
1M41.3Very low71.3Confident231 Ų23195.9 Ų95.9100%1.13852%0.524SS*.  01180-76.4174.7-175.800108.1R3M1-R3 PolarHBondContact O-N 2.99Å; M1-R3 VanDerWaalsContact O-N 3.14Å
2N49Very low72.2Confident173 Ų173101.1 Ų101.193%0.92554%0.542SS*.  trans-72.3100.6178.2-72-20.9000109.1
3R58.9Low72.9Confident124 Ų12499.8 Ų99.847%0.46854%0.535SS..PPolyproline II helixtrans-74.5135.2169.7-66.2-178.8-175.61801.2107.9M1 A5 H20 T26M1-R3 PolarHBondContact O-N 2.99Å; M1-R3 VanDerWaalsContact O-N 3.14Å; R3-A5 PolarHBondContact O-N 3.09Å; R3-H20 WeakPolarHBondContact CD-NE2 3.46Å; R3-H20 PolarHBondContact NH1-NE2 3.28Å; R3-T26 PolarHBondContact NH1-OG1 2.91Å
4P67Low73.7Confident100 Ų10095.3 Ų95.365%0.64951%0.509SS*.PPolyproline II helixtrans-59.9139.4175.624-31.3000109.8
5A73.7Confident74.7Confident79 Ų7993.7 Ų93.765%0.65349%0.493SS*.PPolyproline II helixtrans-60.4147.7176.100000110.4R3R3-A5 PolarHBondContact O-N 3.09Å
6P82.9Confident75.5Confident26 Ų2687.9 Ų87.917%0.16946%0.463CS..PPolyproline II helixtrans-59.6143.7171.327.7-35.1000110.1L17 I18 Y37P6-L17 HydrophobicContact CB-CD1 3.99Å; P6-L17 HydrophobicContact CB-CG 4.45Å; P6-I18 CarbonylContact C-O 3.48Å; P6-I18 WeakPolarHBondContact CA-O 3.36Å; P6-Y37 HydrophobicContact CG-CE2 4.07Å
7V84.3Confident76.3Confident77 Ų7782.8 Ų82.847%0.46744%0.436SS..EExtended strand (participates in β ladder)trans-111.2115.1-179.4178.60000108.6I9 I18V7-I9 HydrophobicContact CG1-CG1 4.32Å; V7-I18 HydrophobicContact CB-CB 4.22Å; V7-I18 PolarHBondContact N-O 3.47Å; V7-I18 PolarHBondContact O-N 3.17Å
8E84.2Confident76.8Confident79 Ų7979.5 Ų79.537%0.36942%0.418SS..EExtended strand (participates in β ladder)trans-86.3136.2172-173.1172.1-173.600110.3R15 F16 L17E8-R15 IonicContact OE1-CZ 3.27Å; E8-R15 VanDerWaalsContact OE1-CZ 3.27Å; E8-R15 IonicContact OE1-NE 2.96Å; E8-R15 PolarHBondContact OE1-NE 3.36Å; E8-R15 IonicContact OE1-NH2 2.72Å; E8-R15 PolarHBondContact OE1-NH2 2.8Å; E8-F16 CarbonylContact C-O 3.53Å; E8-F16 WeakPolarHBondContact CA-O 3.35Å; E8-L17 HydrophobicContact CB-CD1 4.31Å
9I82.2Confident77.3Confident30 Ų3075.7 Ų75.715%0.15440%0.399CS..EExtended strand (participates in β ladder)trans-125.1127174.1-57.4178.1000107.4V7 F16 I18 F113 L118V7-I9 HydrophobicContact CG1-CG1 4.32Å; I9-F16 HydrophobicContact CB-CB 4.37Å; I9-F16 PolarHBondContact N-O 3.4Å; I9-F16 PolarHBondContact O-N 2.88Å; I9-I18 HydrophobicContact CD1-CD1 3.42Å; I9-I18 VanDerWaalsContact CD1-CD1 3.42Å; I9-I18 HydrophobicContact CD1-CG1 4.4Å; I9-I18 HydrophobicContact CG1-CD1 4.28Å; I9-F113 HydrophobicContact CD1-CB 4Å; I9-L118 HydrophobicContact CG2-CD1 4.43Å
10S83Confident77.6Confident77 Ų7773.9 Ų73.954%0.53839%0.388SS..EExtended strand (participates in β ladder)trans-120.7136.7175.7-50.10000110.1M14S10-M14 WeakPolarHBondContact CA-O 3.15Å
11Y77.8Confident77.9Confident59 Ų5971.9 Ų71.923%0.23138%0.378CS..EExtended strand (participates in β ladder)trans-146.9117.7175.2-178.6-96.1000108.9N13 M14 L118 E122Y11-N13 PolarHBondContact O-N 3.12Å; Y11-M14 PolarHBondContact N-O 3.26Å; Y11-M14 WeakPolarHBondContact O-CA 3.39Å; Y11-M14 WeakPolarHBondContact O-CB 3.44Å; Y11-M14 PolarHBondContact O-N 3.23Å; Y11-L118 HydrophobicContact CD2-CB 4.46Å; Y11-L118 HydrophobicContact CD2-CD1 4.41Å; Y11-L118 HydrophobicContact CG-CD2 4.19Å; Y11-E122 VanDerWaalsContact OH-CD 3.24Å; Y11-E122 WeakPolarHBondContact OH-CG 3.46Å; Y11-E122 PolarHBondContact OH-OE2 3.15Å; Y11-E122 VanDerWaalsContact OH-OE2 3.12Å
12E82.4Confident80.1Confident158 Ų15860.9 Ų60.974%0.73832%0.324SS*.THydrogen-bonded Turntrans50-121.6-171.8-58.8-169.9155.200112.3M14E12-M14 VanDerWaalsContact C-N 3.33Å
13N80.6Confident81.8Confident85 Ų8555.9 Ų55.946%0.45530%0.299SS..THydrogen-bonded Turntrans-88.13176.667.9-43.8000113.5Y11Y11-N13 PolarHBondContact O-N 3.12Å
14M84.6Confident83.1Confident36 Ų3655.1 Ų55.118%0.17730%0.304CS..EExtended strand (participates in β ladder)trans-99.7132.9-177.5-53.2-169.9-179.400111.3S10 Y11 E12 F16 L85 F89S10-M14 WeakPolarHBondContact CA-O 3.15Å; Y11-M14 PolarHBondContact N-O 3.26Å; Y11-M14 WeakPolarHBondContact O-CA 3.39Å; Y11-M14 WeakPolarHBondContact O-CB 3.44Å; Y11-M14 PolarHBondContact O-N 3.23Å; E12-M14 VanDerWaalsContact C-N 3.33Å; M14-F16 HydrophobicContact CB-CE2 3.67Å; M14-F16 HydrophobicContact CB-CZ 3.77Å; M14-F16 HydrophobicContact SD-CZ 4.09Å; M14-L85 HydrophobicContact SD-CD1 4.42Å; M14-F89 HydrophobicContact CB-CD1 4.46Å; M14-F89 HydrophobicContact CB-CD2 3.85Å; M14-F89 HydrophobicContact CB-CE1 4.24Å; M14-F89 HydrophobicContact CB-CE2 3.55Å; M14-F89 HydrophobicContact CB-CG 4.29Å; M14-F89 HydrophobicContact CB-CZ 3.79Å; M14-F89 HydrophobicContact CE-CD2 4.33Å; M14-F89 HydrophobicContact CG-CB 4.46Å; M14-F89 HydrophobicContact CG-CD2 3.45Å; M14-F89 VanDerWaalsContact CG-CD2 3.45Å; M14-F89 HydrophobicContact CG-CE2 3.66Å; M14-F89 HydrophobicContact CG-CG 3.94Å; M14-F89 HydrophobicContact CG-CZ 4.34Å; M14-F89 HydrophobicContact SD-CD2 3.88Å; M14-F89 HydrophobicContact SD-CE2 4Å
15R88.7Confident84Confident71 Ų7155 Ų5527%0.26831%0.311SS..EExtended strand (participates in β ladder)trans-127131.9175.7-65.3174.461.3-140.1-1.6110.3E8 Y37 F89 G94 C96 V97E8-R15 IonicContact OE1-CZ 3.27Å; E8-R15 VanDerWaalsContact OE1-CZ 3.27Å; E8-R15 IonicContact OE1-NE 2.96Å; E8-R15 PolarHBondContact OE1-NE 3.36Å; E8-R15 IonicContact OE1-NH2 2.72Å; E8-R15 PolarHBondContact OE1-NH2 2.8Å; R15-Y37 PolarHBondContact NH2-O 2.8Å; R15-Y37 VanDerWaalsContact NH2-O 3.15Å; R15-F89 WeakPolarHBondContact O-CZ 3.45Å; R15-G94 PolarHBondContact NH1-O 3.2Å; R15-G94 VanDerWaalsContact NH1-O 3.11Å; R15-C96 HydrophobicContact CB-CB 4.24Å; R15-C96 WeakPolarHBondContact O-CA 3.45Å; R15-V97 PolarHBondContact O-N 3.39Å
16F87.9Confident84.8Confident2 Ų252.7 Ų52.71%0.00929%0.289CS..EExtended strand (participates in β ladder)trans-125.6144.4-179-52.5-80.9000110.7E8 I9 M14 W81 L85 F89 V97E8-F16 CarbonylContact C-O 3.53Å; E8-F16 WeakPolarHBondContact CA-O 3.35Å; I9-F16 HydrophobicContact CB-CB 4.37Å; I9-F16 PolarHBondContact N-O 3.4Å; I9-F16 PolarHBondContact O-N 2.88Å; M14-F16 HydrophobicContact CB-CE2 3.67Å; M14-F16 HydrophobicContact CB-CZ 3.77Å; M14-F16 HydrophobicContact SD-CZ 4.09Å; F16-W81 AromaticContact CD1-CH2 3.98Å; F16-W81 HydrophobicContact CD1-CH2 3.98Å; F16-W81 AromaticContact CD1-CZ2 3.82Å; F16-W81 HydrophobicContact CD1-CZ2 3.82Å; F16-W81 HydrophobicContact CE1-CH2 4.06Å; F16-W81 AromaticContact CE1-CZ2 3.56Å; F16-W81 HydrophobicContact CE1-CZ2 3.56Å; F16-L85 HydrophobicContact CE1-CD1 3.59Å; F16-L85 HydrophobicContact CE1-CD2 3.66Å; F16-L85 HydrophobicContact CE1-CG 4.23Å; F16-L85 HydrophobicContact CZ-CD1 3.61Å; F16-L85 HydrophobicContact CZ-CD2 4.41Å; F16-F89 HydrophobicContact CD1-CZ 4.39Å; F16-F89 AromaticContact CE1-CE2 3.76Å; F16-F89 HydrophobicContact CE1-CE2 3.76Å; F16-F89 AromaticContact CE1-CZ 3.88Å; F16-F89 HydrophobicContact CE1-CZ 3.88Å; F16-F89 AromaticContact CZ-CE2 3.77Å; F16-F89 HydrophobicContact CZ-CE2 3.77Å; F16-F89 HydrophobicContact CZ-CZ 4.07Å; F16-V97 CarbonylContact C-O 3.59Å; F16-V97 WeakPolarHBondContact CA-O 3.45Å; F16-V97 HydrophobicContact CD1-CB 4.22Å
17L88.1Confident85.1Confident0 Ų051.7 Ų51.70%028%0.283CS..EExtended strand (participates in β ladder)trans-121.1114.3174.5-170.471.1000110.3P6 E8 L34 Y37 V39 V97 A98 V99P6-L17 HydrophobicContact CB-CD1 3.99Å; P6-L17 HydrophobicContact CB-CG 4.45Å; E8-L17 HydrophobicContact CB-CD1 4.31Å; L17-L34 HydrophobicContact CD2-CD2 3.85Å; L17-Y37 HydrophobicContact CD1-CD1 3.93Å; L17-Y37 HydrophobicContact CD1-CD2 4.01Å; L17-Y37 HydrophobicContact CD1-CE1 4.16Å; L17-Y37 HydrophobicContact CD1-CE2 4.25Å; L17-Y37 HydrophobicContact CD1-CG 3.86Å; L17-Y37 HydrophobicContact CD2-CD2 3.7Å; L17-Y37 HydrophobicContact CD2-CE2 4.44Å; L17-Y37 HydrophobicContact CD2-CG 3.92Å; L17-V39 HydrophobicContact CB-CG2 4.2Å; L17-V39 HydrophobicContact CD2-CG2 3.8Å; L17-V97 PolarHBondContact N-O 3.15Å; L17-A98 HydrophobicContact CB-CB 4.04Å; L17-A98 CarbonylContact O-C 3.59Å; L17-A98 WeakPolarHBondContact O-CA 3.34Å; L17-V99 PolarHBondContact O-N 2.9Å
18I85.8Confident85.4Confident24 Ų2453.8 Ų53.812%0.12329%0.291CS..EExtended strand (participates in β ladder)trans-90.2115.8171.6-64.9165.9000107.9P6 V7 I9 L105 A112P6-I18 CarbonylContact C-O 3.48Å; P6-I18 WeakPolarHBondContact CA-O 3.36Å; V7-I18 HydrophobicContact CB-CB 4.22Å; V7-I18 PolarHBondContact N-O 3.47Å; V7-I18 PolarHBondContact O-N 3.17Å; I9-I18 HydrophobicContact CD1-CD1 3.42Å; I9-I18 VanDerWaalsContact CD1-CD1 3.42Å; I9-I18 HydrophobicContact CD1-CG1 4.4Å; I9-I18 HydrophobicContact CG1-CD1 4.28Å; I18-L105 HydrophobicContact CB-CD1 4.42Å; I18-L105 HydrophobicContact CG1-CD1 4.38Å; I18-L105 HydrophobicContact CG2-CB 4.15Å; I18-L105 HydrophobicContact CG2-CD1 3.55Å; I18-L105 HydrophobicContact CG2-CG 4.46Å; I18-A112 HydrophobicContact CD1-CB 3.47Å; I18-A112 VanDerWaalsContact CD1-CB 3.47Å; I18-A112 HydrophobicContact CG1-CB 3.88Å
19T86.1Confident85.8Confident7 Ų757.7 Ų57.74%0.04331%0.307CS..EExtended strand (participates in β ladder)trans-126.3170.8-178.7-168.90000112.1F30 L34 V99 H100T19-F30 HydrophobicContact CG2-CE2 3.45Å; T19-F30 VanDerWaalsContact CG2-CE2 3.45Å; T19-F30 HydrophobicContact CG2-CZ 3.7Å; T19-L34 HydrophobicContact CG2-CD2 4.47Å; T19-V99 PolarHBondContact N-O 3.17Å; T19-V99 VanDerWaalsContact N-O 3.14Å; T19-H100 HydrophobicContact CG2-CB 3.89Å; T19-H100 VanDerWaalsContact O-CB 3.3Å; T19-H100 WeakPolarHBondContact O-CB 3.32Å
20H83.6Confident86.2Confident39 Ų3956.5 Ų56.518%0.18130%0.301CS..EExtended strand (participates in β ladder)trans-85.2158.2177.163.1-80.9000110.9R3 P22 F30R3-H20 WeakPolarHBondContact CD-NE2 3.46Å; R3-H20 PolarHBondContact NH1-NE2 3.28Å; H20-P22 WeakPolarHBondContact O-CD 3.44Å; H20-F30 WeakPolarHBondContact O-CE2 3.28Å
21N84.1Confident86.7Confident33 Ų3353.2 Ų53.218%0.17628%0.277CS..PPolyproline II helixtrans-68.1122173.4-171.957.2000110.7T49 H100N21-T49 PolarHBondContact ND2-OG1 2.84Å; N21-T49 PolarHBondContact OD1-OG1 3.24Å; N21-H100 PolarHBondContact OD1-CE1 3.14Å; N21-H100 PolarHBondContact OD1-ND1 3Å
22P87.7Confident87.4Confident0 Ų056.7 Ų56.70%030%0.296CS..PPolyproline II helixtrans-74.9162.6176.532.9-36.3000111.2H20 L27 F30 Y50H20-P22 WeakPolarHBondContact O-CD 3.44Å; P22-L27 HydrophobicContact CB-CD1 4.25Å; P22-L27 HydrophobicContact CG-CD1 3.94Å; P22-F30 HydrophobicContact CB-CB 3.95Å; P22-F30 HydrophobicContact CB-CD1 4.06Å; P22-F30 HydrophobicContact CB-CD2 3.98Å; P22-F30 HydrophobicContact CB-CE2 4.44Å; P22-F30 HydrophobicContact CB-CG 3.74Å; P22-F30 HydrophobicContact CG-CD1 3.8Å; P22-F30 HydrophobicContact CG-CD2 4.19Å; P22-F30 HydrophobicContact CG-CE1 3.84Å; P22-F30 HydrophobicContact CG-CE2 4.23Å; P22-F30 HydrophobicContact CG-CG 3.96Å; P22-F30 HydrophobicContact CG-CZ 4.06Å; P22-Y50 HydrophobicContact CG-CD1 3.79Å; P22-Y50 HydrophobicContact CG-CE1 3.42Å; P22-Y50 VanDerWaalsContact CG-CE1 3.42Å; P22-Y50 HydrophobicContact CG-CE2 4.23Å; P22-Y50 HydrophobicContact CG-CG 4.34Å
23T85.1Confident87.8Confident67 Ų6752 Ų5241%0.41127%0.274SS..PPolyproline II helixtrans-102.1160.9161.166.90000109.7A25 T26 L27T23-A25 PolarHBondContact O-N 2.98Å; T23-A25 VanDerWaalsContact O-N 3.12Å; T23-T26 PolarHBondContact N-OG1 3.42Å; T23-T26 VanDerWaalsContact N-OG1 3.15Å; T23-T26 CarbonylContact O-C 3.58Å; T23-T26 PolarHBondContact O-N 3.03Å; T23-T26 PolarHBondContact O-OG1 2.83Å; T23-T26 PolarHBondContact OG1-OG1 2.81Å; T23-L27 PolarHBondContact O-N 3.45Å
24N85.4Confident88.5Confident108 Ų10848 Ų4858%0.57825%0.252SS*.G310 helixtrans-51.5-37.4175.2-72-39.8000112.3T26 L27 Y50N24-T26 VanDerWaalsContact C-N 3.31Å; N24-T26 PolarHBondContact O-N 3.06Å; N24-L27 PolarHBondContact O-N 3.15Å; N24-Y50 VanDerWaalsContact OD1-CB 3.3Å; N24-Y50 WeakPolarHBondContact OD1-CB 3.49Å
25A86.8Confident88.9Confident97 Ų9750.7 Ų50.780%0.80226%0.263SS*.G310 helixtrans-69.3-24.5178.200000114.2T23T23-A25 PolarHBondContact O-N 2.98Å; T23-A25 VanDerWaalsContact O-N 3.12Å
26T88.9Confident89.1Confident31 Ų3155.7 Ų55.719%0.1929%0.287CS..G310 helixtrans-1064.2179.8610000113.4R3 T23 N24 N28 K29 F30R3-T26 PolarHBondContact NH1-OG1 2.91Å; T23-T26 PolarHBondContact N-OG1 3.42Å; T23-T26 VanDerWaalsContact N-OG1 3.15Å; T23-T26 CarbonylContact O-C 3.58Å; T23-T26 PolarHBondContact O-N 3.03Å; T23-T26 PolarHBondContact O-OG1 2.83Å; T23-T26 PolarHBondContact OG1-OG1 2.81Å; N24-T26 VanDerWaalsContact C-N 3.31Å; N24-T26 PolarHBondContact O-N 3.06Å; T26-N28 VanDerWaalsContact C-N 3.34Å; T26-N28 PolarHBondContact O-N 2.86Å; T26-K29 PolarHBondContact O-N 3.26Å; T26-F30 WeakPolarHBondContact O-CB 3.44Å; T26-F30 PolarHBondContact O-N 3.2Å
27L90.1Very high89.3Confident5 Ų558.6 Ų58.63%0.02630%0.298CS..Hα-helixtrans-62.1-39.7-172-166.663.4000112.2P22 T23 N24 F30 T31 Y50 P54 V55P22-L27 HydrophobicContact CB-CD1 4.25Å; P22-L27 HydrophobicContact CG-CD1 3.94Å; T23-L27 PolarHBondContact O-N 3.45Å; N24-L27 PolarHBondContact O-N 3.15Å; L27-F30 HydrophobicContact CD1-CD1 4.23Å; L27-F30 WeakPolarHBondContact O-CB 3.34Å; L27-F30 PolarHBondContact O-N 3.33Å; L27-T31 PolarHBondContact O-N 3.04Å; L27-T31 PolarHBondContact O-OG1 3.44Å; L27-Y50 HydrophobicContact CD1-CD2 3.51Å; L27-Y50 HydrophobicContact CD1-CE2 3.61Å; L27-Y50 HydrophobicContact CD1-CG 4.26Å; L27-Y50 HydrophobicContact CD2-CD2 4.16Å; L27-P54 HydrophobicContact CD2-CB 3.83Å; L27-P54 HydrophobicContact CD2-CG 3.83Å; L27-V55 HydrophobicContact CD1-CG2 3.76Å; L27-V55 HydrophobicContact CD2-CG2 4.41Å; L27-V55 HydrophobicContact CG-CG2 4.16Å
28N91.4Very high89.5Confident121 Ų12160.1 Ų60.165%0.64731%0.314SS*.Hα-helixtrans-60.3-50.9178.2-65.4-16.5000112T26 F30 T31 E32T26-N28 VanDerWaalsContact C-N 3.34Å; T26-N28 PolarHBondContact O-N 2.86Å; N28-F30 VanDerWaalsContact C-N 3.27Å; N28-F30 PolarHBondContact O-N 3.45Å; N28-T31 PolarHBondContact O-N 3.34Å; N28-E32 WeakPolarHBondContact O-CG 3.33Å; N28-E32 PolarHBondContact O-N 3.18Å
29K91.2Very high89.9Confident161 Ų16159.4 Ų59.470%0.731%0.311SS*.Hα-helixtrans-62-37.5177.7-66.8-175.5178.2-177.60112T26 E32 E33T26-K29 PolarHBondContact O-N 3.26Å; K29-E32 PolarHBondContact O-N 2.68Å; K29-E33 WeakPolarHBondContact O-CB 3.22Å; K29-E33 PolarHBondContact O-N 3.16Å
30F91.3Very high90.4Very high6 Ų660.5 Ų60.53%0.02632%0.318CS..Hα-helixtrans-63.1-46.6175.8175.4-100.2000111.2T19 H20 P22 T26 L27 N28 E32 E33 L34 L42T19-F30 HydrophobicContact CG2-CE2 3.45Å; T19-F30 VanDerWaalsContact CG2-CE2 3.45Å; T19-F30 HydrophobicContact CG2-CZ 3.7Å; H20-F30 WeakPolarHBondContact O-CE2 3.28Å; P22-F30 HydrophobicContact CB-CB 3.95Å; P22-F30 HydrophobicContact CB-CD1 4.06Å; P22-F30 HydrophobicContact CB-CD2 3.98Å; P22-F30 HydrophobicContact CB-CE2 4.44Å; P22-F30 HydrophobicContact CB-CG 3.74Å; P22-F30 HydrophobicContact CG-CD1 3.8Å; P22-F30 HydrophobicContact CG-CD2 4.19Å; P22-F30 HydrophobicContact CG-CE1 3.84Å; P22-F30 HydrophobicContact CG-CE2 4.23Å; P22-F30 HydrophobicContact CG-CG 3.96Å; P22-F30 HydrophobicContact CG-CZ 4.06Å; T26-F30 WeakPolarHBondContact O-CB 3.44Å; T26-F30 PolarHBondContact O-N 3.2Å; L27-F30 HydrophobicContact CD1-CD1 4.23Å; L27-F30 WeakPolarHBondContact O-CB 3.34Å; L27-F30 PolarHBondContact O-N 3.33Å; N28-F30 VanDerWaalsContact C-N 3.27Å; N28-F30 PolarHBondContact O-N 3.45Å; F30-E32 VanDerWaalsContact C-N 3.35Å; F30-E32 PolarHBondContact O-N 3.21Å; F30-E33 WeakPolarHBondContact O-CB 3.29Å; F30-E33 PolarHBondContact O-N 3.04Å; F30-L34 HydrophobicContact CD1-CD1 3.96Å; F30-L34 HydrophobicContact CD1-CG 4.3Å; F30-L34 HydrophobicContact CE1-CD1 3.46Å; F30-L34 VanDerWaalsContact CE1-CD1 3.46Å; F30-L34 HydrophobicContact CE1-CD2 4.46Å; F30-L34 HydrophobicContact CE1-CG 4.03Å; F30-L34 HydrophobicContact CE2-CD2 4.48Å; F30-L34 HydrophobicContact CZ-CD1 3.95Å; F30-L34 HydrophobicContact CZ-CD2 4.15Å; F30-L34 HydrophobicContact CZ-CG 4.21Å; F30-L34 WeakPolarHBondContact O-CG 3.29Å; F30-L34 PolarHBondContact O-N 3.37Å; F30-L42 HydrophobicContact CE1-CD2 3.84Å; F30-L42 HydrophobicContact CZ-CD1 4.25Å; F30-L42 HydrophobicContact CZ-CD2 4.21Å
31T92.8Very high90.9Very high7 Ų758.7 Ų58.74%0.04331%0.309CS..Hα-helixtrans-62.8-40.1177-54.20000112.2L27 N28 E33 L34 K35 E58 I60L27-T31 PolarHBondContact O-N 3.04Å; L27-T31 PolarHBondContact O-OG1 3.44Å; N28-T31 PolarHBondContact O-N 3.34Å; T31-E33 VanDerWaalsContact C-N 3.33Å; T31-E33 PolarHBondContact O-N 2.89Å; T31-L34 PolarHBondContact O-N 3.17Å; T31-K35 WeakPolarHBondContact O-CG 3.23Å; T31-K35 PolarHBondContact O-N 3.22Å; T31-E58 HydrophobicContact CG2-CB 3.59Å; T31-E58 HydrophobicContact CG2-CG 3.74Å; T31-I60 HydrophobicContact CG2-CD1 4.08Å
32E92.8Very high91.4Very high132 Ų13257.1 Ų57.162%0.61730%0.301SS*.Hα-helixtrans-61.1-41.6173.1-70.4178.897.600112.1N28 K29 F30 K35 K36N28-E32 WeakPolarHBondContact O-CG 3.33Å; N28-E32 PolarHBondContact O-N 3.18Å; K29-E32 PolarHBondContact O-N 2.68Å; F30-E32 VanDerWaalsContact C-N 3.35Å; F30-E32 PolarHBondContact O-N 3.21Å; E32-K35 PolarHBondContact O-N 2.79Å; E32-K36 PolarHBondContact O-N 3.14Å
33E92Very high91.6Very high61 Ų6157.1 Ų57.129%0.28530%0.301SS..Hα-helixtrans-63.4-46.4175.8-172.2171.181.500111.2K29 F30 T31 K35 K36 Y37K29-E33 WeakPolarHBondContact O-CB 3.22Å; K29-E33 PolarHBondContact O-N 3.16Å; F30-E33 WeakPolarHBondContact O-CB 3.29Å; F30-E33 PolarHBondContact O-N 3.04Å; T31-E33 VanDerWaalsContact C-N 3.33Å; T31-E33 PolarHBondContact O-N 2.89Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 2.95Å; E33-K36 WeakPolarHBondContact O-CB 3.46Å; E33-K36 PolarHBondContact O-N 3.29Å; E33-K36 VanDerWaalsContact O-N 3.09Å; E33-Y37 HydrophobicContact CG-CD2 4.07Å; E33-Y37 HydrophobicContact CG-CE2 3.73Å; E33-Y37 WeakPolarHBondContact O-CD2 3.48Å; E33-Y37 PolarHBondContact O-N 2.86Å
34L93.8Very high91.8Very high0 Ų054.3 Ų54.30%028%0.283CS..Hα-helixtrans-55.7-44.6175.4-68.5-174.5000111.9L17 T19 F30 T31 K36 Y37 G38 V39 L42 V55 I60 A98L17-L34 HydrophobicContact CD2-CD2 3.85Å; T19-L34 HydrophobicContact CG2-CD2 4.47Å; F30-L34 HydrophobicContact CD1-CD1 3.96Å; F30-L34 HydrophobicContact CD1-CG 4.3Å; F30-L34 HydrophobicContact CE1-CD1 3.46Å; F30-L34 VanDerWaalsContact CE1-CD1 3.46Å; F30-L34 HydrophobicContact CE1-CD2 4.46Å; F30-L34 HydrophobicContact CE1-CG 4.03Å; F30-L34 HydrophobicContact CE2-CD2 4.48Å; F30-L34 HydrophobicContact CZ-CD1 3.95Å; F30-L34 HydrophobicContact CZ-CD2 4.15Å; F30-L34 HydrophobicContact CZ-CG 4.21Å; F30-L34 WeakPolarHBondContact O-CG 3.29Å; F30-L34 PolarHBondContact O-N 3.37Å; T31-L34 PolarHBondContact O-N 3.17Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 2.84Å; L34-Y37 PolarHBondContact O-N 2.96Å; L34-G38 PolarHBondContact O-N 2.72Å; L34-V39 HydrophobicContact CB-CB 4.04Å; L34-V39 HydrophobicContact CB-CG1 4.45Å; L34-V39 HydrophobicContact CB-CG2 4.36Å; L34-V39 HydrophobicContact CD2-CB 4.38Å; L34-V39 HydrophobicContact CD2-CG1 4.33Å; L34-V39 HydrophobicContact CD2-CG2 4.09Å; L34-V39 VanDerWaalsContact O-CB 3.32Å; L34-V39 WeakPolarHBondContact O-CB 3.13Å; L34-V39 WeakPolarHBondContact O-CG2 3.45Å; L34-V39 PolarHBondContact O-N 2.95Å; L34-L42 HydrophobicContact CD1-CD1 4.25Å; L34-L42 HydrophobicContact CD1-CD2 4.05Å; L34-L42 HydrophobicContact CD2-CD1 4.49Å; L34-V55 HydrophobicContact CD1-CG1 4.49Å; L34-I60 HydrophobicContact CB-CD1 3.66Å; L34-I60 HydrophobicContact CD1-CD1 3.97Å; L34-I60 HydrophobicContact CD1-CG2 4.47Å; L34-I60 HydrophobicContact CG-CD1 4.5Å; L34-A98 HydrophobicContact CD2-CB 3.86Å
35K94.1Very high91.8Very high93 Ų9349.9 Ų49.940%0.40426%0.26SS..Hα-helixtrans-61.6-40.7176.2-74.8-175170.9-171.40112.7T31 E32 E33 Y37 G38 E58 I60T31-K35 WeakPolarHBondContact O-CG 3.23Å; T31-K35 PolarHBondContact O-N 3.22Å; E32-K35 PolarHBondContact O-N 2.79Å; E33-K35 VanDerWaalsContact C-N 3.29Å; E33-K35 PolarHBondContact O-N 2.95Å; K35-Y37 PolarHBondContact O-N 3.11Å; K35-G38 PolarHBondContact O-N 3.15Å; K35-E58 WeakPolarHBondContact CE-O 3.39Å; K35-E58 PolarHBondContact NZ-O 3.36Å; K35-E58 VanDerWaalsContact NZ-O 3.14Å; K35-E58 IonicContact NZ-OE2 3.97Å; K35-E58 PolarHBondContact NZ-OE2 3.28Å; K35-I60 HydrophobicContact CG-CD1 4.25Å
36K93.1Very high91.6Very high176 Ų17646.4 Ų46.477%0.76523%0.229SC*.Hα-helixtrans-59.5-35.2178-173.9-178.8177-177.10112.4E32 E33 L34 G38E32-K36 PolarHBondContact O-N 3.14Å; E33-K36 WeakPolarHBondContact O-CB 3.46Å; E33-K36 PolarHBondContact O-N 3.29Å; E33-K36 VanDerWaalsContact O-N 3.09Å; L34-K36 VanDerWaalsContact C-N 3.34Å; L34-K36 PolarHBondContact O-N 2.84Å; K36-G38 VanDerWaalsContact C-N 3.29Å
37Y91.2Very high91.2Very high62 Ų6251 Ų5124%0.24325%0.252CS..THydrogen-bonded Turntrans-82.7-4.1176.1-72.2-79000113.8P6 R15 L17 E33 L34 K35P6-Y37 HydrophobicContact CG-CE2 4.07Å; R15-Y37 PolarHBondContact NH2-O 2.8Å; R15-Y37 VanDerWaalsContact NH2-O 3.15Å; L17-Y37 HydrophobicContact CD1-CD1 3.93Å; L17-Y37 HydrophobicContact CD1-CD2 4.01Å; L17-Y37 HydrophobicContact CD1-CE1 4.16Å; L17-Y37 HydrophobicContact CD1-CE2 4.25Å; L17-Y37 HydrophobicContact CD1-CG 3.86Å; L17-Y37 HydrophobicContact CD2-CD2 3.7Å; L17-Y37 HydrophobicContact CD2-CE2 4.44Å; L17-Y37 HydrophobicContact CD2-CG 3.92Å; E33-Y37 HydrophobicContact CG-CD2 4.07Å; E33-Y37 HydrophobicContact CG-CE2 3.73Å; E33-Y37 WeakPolarHBondContact O-CD2 3.48Å; E33-Y37 PolarHBondContact O-N 2.86Å; L34-Y37 PolarHBondContact O-N 2.96Å; K35-Y37 PolarHBondContact O-N 3.11Å
38G92.9Very high90.9Very high33 Ų3353.8 Ų53.834%0.3428%0.276SS..THydrogen-bonded Turntrans72.931.6-176.200000112.7L34 K35 K36 T40 C96L34-G38 PolarHBondContact O-N 2.72Å; K35-G38 PolarHBondContact O-N 3.15Å; K36-G38 VanDerWaalsContact C-N 3.29Å; G38-T40 PolarHBondContact O-N 3.17Å; G38-C96 WeakPolarHBondContact O-CB 3.26Å; G38-C96 PolarHBondContact O-N 3.43Å
39V94.8Very high90.6Very high8 Ų851.3 Ų51.35%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-71.3127.3177.9175.50000109.6L17 L34 T41 I60 C96 A98L17-V39 HydrophobicContact CB-CG2 4.2Å; L17-V39 HydrophobicContact CD2-CG2 3.8Å; L34-V39 HydrophobicContact CB-CB 4.04Å; L34-V39 HydrophobicContact CB-CG1 4.45Å; L34-V39 HydrophobicContact CB-CG2 4.36Å; L34-V39 HydrophobicContact CD2-CB 4.38Å; L34-V39 HydrophobicContact CD2-CG1 4.33Å; L34-V39 HydrophobicContact CD2-CG2 4.09Å; L34-V39 VanDerWaalsContact O-CB 3.32Å; L34-V39 WeakPolarHBondContact O-CB 3.13Å; L34-V39 WeakPolarHBondContact O-CG2 3.45Å; L34-V39 PolarHBondContact O-N 2.95Å; V39-T41 WeakPolarHBondContact CG1-O 3.36Å; V39-I60 HydrophobicContact CG1-CG2 4.31Å; V39-C96 VanDerWaalsContact CA-O 3.25Å; V39-C96 WeakPolarHBondContact CA-O 3.3Å; V39-C96 HydrophobicContact CG2-CB 3.97Å; V39-A98 HydrophobicContact CB-CB 4.41Å; V39-A98 HydrophobicContact CG1-CB 3.55Å; V39-A98 HydrophobicContact CG2-CB 3.94Å
40T94.9Very high90.5Very high31 Ų3144.2 Ų44.219%0.1924%0.235CC..EExtended strand (participates in β ladder)trans-110.1-20.7175.963.10000112.1G38 H61 E92 C95 C96G38-T40 PolarHBondContact O-N 3.17Å; T40-H61 PolarHBondContact O-N 3.17Å; T40-E92 WeakPolarHBondContact CG2-OE1 3.43Å; T40-C95 HydrophobicContact CG2-CB 3.92Å; T40-C96 PolarHBondContact N-O 3.22Å
41T95Very high90.4Very high0 Ų048.5 Ų48.50%026%0.258CS..EExtended strand (participates in β ladder)trans-136.7132.5179.2-55.30000110.6V39 V43 H61 L63 L84 K88 V97 A98V39-T41 WeakPolarHBondContact CG1-O 3.36Å; T41-V43 HydrophobicContact CG2-CG2 4.42Å; T41-H61 CarbonylContact C-O 3.58Å; T41-H61 WeakPolarHBondContact CA-O 3.39Å; T41-L63 HydrophobicContact CG2-CD1 3.85Å; T41-L63 HydrophobicContact CG2-CG 4.43Å; T41-L84 HydrophobicContact CG2-CD1 4.3Å; T41-L84 HydrophobicContact CG2-CD2 4.14Å; T41-K88 WeakPolarHBondContact OG1-CE 3.32Å; T41-V97 WeakPolarHBondContact O-CA 3.48Å; T41-A98 PolarHBondContact O-N 3.08Å
42L93.6Very high90.4Very high0 Ų051.1 Ų51.10%027%0.269CS..EExtended strand (participates in β ladder)trans-115.5123.3175.9179.868.2000109.7F30 L34 Y50 V55 I60 H61 V62 L63 A98F30-L42 HydrophobicContact CE1-CD2 3.84Å; F30-L42 HydrophobicContact CZ-CD1 4.25Å; F30-L42 HydrophobicContact CZ-CD2 4.21Å; L34-L42 HydrophobicContact CD1-CD1 4.25Å; L34-L42 HydrophobicContact CD1-CD2 4.05Å; L34-L42 HydrophobicContact CD2-CD1 4.49Å; L42-Y50 VanDerWaalsContact CD2-OH 3.31Å; L42-Y50 WeakPolarHBondContact CD2-OH 3.38Å; L42-V55 HydrophobicContact CD2-CG1 4.31Å; L42-I60 HydrophobicContact CB-CG2 3.91Å; L42-H61 PolarHBondContact N-O 3Å; L42-V62 HydrophobicContact CB-CG2 4.31Å; L42-V62 HydrophobicContact CD2-CG1 4.49Å; L42-V62 HydrophobicContact CD2-CG2 4.28Å; L42-V62 CarbonylContact O-C 3.55Å; L42-V62 VanDerWaalsContact O-CA 3.32Å; L42-V62 WeakPolarHBondContact O-CA 3.25Å; L42-L63 PolarHBondContact O-N 3.42Å; L42-A98 CarbonylContact C-O 3.59Å; L42-A98 WeakPolarHBondContact CA-O 3.31Å; L42-A98 HydrophobicContact CD1-CB 3.5Å; L42-A98 VanDerWaalsContact CD1-CB 3.5Å
43V91.9Very high90.4Very high0 Ų047.1 Ų47.10%026%0.258CS..EExtended strand (participates in β ladder)trans-105.9122.4176.9-176.60000110T41 V45 L63 W65 W81 L84 V97 A98 V99 H100T41-V43 HydrophobicContact CG2-CG2 4.42Å; V43-V45 HydrophobicContact CG1-CG1 4.03Å; V43-L63 HydrophobicContact CG2-CB 4.28Å; V43-L63 HydrophobicContact CG2-CD1 4.34Å; V43-W65 HydrophobicContact CG1-CD2 4.06Å; V43-W65 HydrophobicContact CG1-CE3 3.52Å; V43-W65 HydrophobicContact CG1-CZ3 4.11Å; V43-W65 HydrophobicContact CG2-CZ3 4.36Å; V43-W81 HydrophobicContact CB-CZ3 4.17Å; V43-W81 HydrophobicContact CG2-CE3 4.17Å; V43-W81 HydrophobicContact CG2-CZ3 3.73Å; V43-L84 HydrophobicContact CG2-CD2 3.91Å; V43-V97 HydrophobicContact CG2-CG1 4.32Å; V43-A98 PolarHBondContact N-O 3.38Å; V43-V99 HydrophobicContact CB-CG2 4.4Å; V43-V99 WeakPolarHBondContact O-CA 3.4Å; V43-H100 PolarHBondContact O-N 2.87Å
44R90.6Very high90.4Very high9 Ų946.5 Ų46.53%0.03426%0.259CS..EExtended strand (participates in β ladder)trans-96.8113.2174.3-45.2-158.9-74-171-7.1107.9Y50 V62 L63 D64 W65 H100R44-Y50 PolarHBondContact NH1-O 3.37Å; R44-V62 HydrophobicContact CG-CG1 3.78Å; R44-L63 PolarHBondContact N-O 3.3Å; R44-D64 IonicContact CZ-OD1 3.93Å; R44-D64 IonicContact CZ-OD2 2.59Å; R44-D64 IonicContact NE-OD1 3.03Å; R44-D64 PolarHBondContact NE-OD1 3.09Å; R44-D64 IonicContact NH2-OD1 2.7Å; R44-D64 PolarHBondContact NH2-OD1 3.17Å; R44-D64 IonicContact NH2-OD2 2.96Å; R44-D64 PolarHBondContact NH2-OD2 3.31Å; R44-W65 CarbonylContact O-C 3.58Å; R44-W65 PolarHBondContact O-N 2.82Å; R44-H100 WeakPolarHBondContact CD-NE2 3.3Å; R44-H100 VanDerWaalsContact CG-NE2 3.26Å; R44-H100 WeakPolarHBondContact CG-NE2 3.41Å
45V85.2Confident90.4Very high15 Ų1546.5 Ų46.59%0.09126%0.259CS..  trans-98.20.8-178.1-63.70000113.8V43 W65 P66 F67 V99 H100 C101V43-V45 HydrophobicContact CG1-CG1 4.03Å; V45-W65 WeakPolarHBondContact CA-O 3.4Å; V45-P66 WeakPolarHBondContact O-CA 3.37Å; V45-F67 HydrophobicContact CB-CD1 4.26Å; V45-F67 HydrophobicContact CB-CE1 3.64Å; V45-F67 HydrophobicContact CB-CZ 4.35Å; V45-F67 HydrophobicContact CG1-CE1 4.01Å; V45-F67 HydrophobicContact CG2-CE1 4.42Å; V45-F67 PolarHBondContact O-N 2.99Å; V45-V99 HydrophobicContact CG1-CG1 3.92Å; V45-V99 HydrophobicContact CG2-CG1 4.36Å; V45-H100 WeakPolarHBondContact CG2-O 3.47Å; V45-H100 PolarHBondContact N-O 3.47Å; V45-C101 HydrophobicContact CG2-CB 3.83Å
46C81.8Confident90.4Very high23 Ų2345.3 Ų45.316%0.15526%0.255CS..SBendtrans-129.9166.2-179.7-66.50000108.2A48 C101 V102C46-A48 PolarHBondContact O-N 2.86Å; C46-C101 HydrophobicContact CB-CB 4.1Å; C46-C101 WeakPolarHBondContact CB-SG 3.41Å; C46-C101 WeakPolarHBondContact SG-CB 3.48Å; C46-C101 CovalentContact SG-SG 2.05Å; C46-C101 PolarHBondContact SG-SG 3Å; C46-V102 HydrophobicContact CB-CB 4.24Å; C46-V102 HydrophobicContact CB-CG2 3.81Å
47D80Confident90.5Very high127 Ų12745.4 Ų45.468%0.67926%0.255SS*.  trans-51.5139.4-177.2-68.1-50.5000112.6T49D47-T49 WeakPolarHBondContact O-CG2 3.27Å; D47-T49 PolarHBondContact O-N 2.99Å
48A84.5Confident90.6Very high64 Ų6446.9 Ų46.953%0.52927%0.265SS..  trans-65.5117.6-17900000110.7C46C46-A48 PolarHBondContact O-N 2.86Å
49T86.1Confident90.5Very high69 Ų6948.3 Ų48.342%0.42328%0.279SS..  trans-106.30.1178.2690000113.7N21 D47 V102N21-T49 PolarHBondContact ND2-OG1 2.84Å; N21-T49 PolarHBondContact OD1-OG1 3.24Å; D47-T49 WeakPolarHBondContact O-CG2 3.27Å; D47-T49 PolarHBondContact O-N 2.99Å; T49-V102 HydrophobicContact CG2-CG1 4.4Å; T49-V102 HydrophobicContact CG2-CG2 3.66Å
50Y88.6Confident90.6Very high13 Ų1348.1 Ų48.15%0.05128%0.278CS..SBendtrans-150.9157.8-178.765.4-88.8000110.6P22 N24 L27 L42 R44 V55 H100P22-Y50 HydrophobicContact CG-CD1 3.79Å; P22-Y50 HydrophobicContact CG-CE1 3.42Å; P22-Y50 VanDerWaalsContact CG-CE1 3.42Å; P22-Y50 HydrophobicContact CG-CE2 4.23Å; P22-Y50 HydrophobicContact CG-CG 4.34Å; N24-Y50 VanDerWaalsContact OD1-CB 3.3Å; N24-Y50 WeakPolarHBondContact OD1-CB 3.49Å; L27-Y50 HydrophobicContact CD1-CD2 3.51Å; L27-Y50 HydrophobicContact CD1-CE2 3.61Å; L27-Y50 HydrophobicContact CD1-CG 4.26Å; L27-Y50 HydrophobicContact CD2-CD2 4.16Å; L42-Y50 VanDerWaalsContact CD2-OH 3.31Å; L42-Y50 WeakPolarHBondContact CD2-OH 3.38Å; R44-Y50 PolarHBondContact NH1-O 3.37Å; Y50-V55 HydrophobicContact CE2-CG2 4.23Å; Y50-H100 AromaticContact CE1-CE1 3.74Å; Y50-H100 AromaticContact CE1-NE2 3.91Å; Y50-H100 AromaticContact CZ-NE2 3.97Å; Y50-H100 PolarHBondContact OH-NE2 3.37Å; Y50-H100 VanDerWaalsContact OH-NE2 3.15Å
51D89.8Confident90.5Very high96 Ų9651 Ų5151%0.51329%0.289SS..  trans-74.4133.7177-179.128.9000111A53 P54D51-A53 PolarHBondContact OD1-N 2.91Å; D51-A53 WeakPolarHBondContact OD2-CB 3.5Å; D51-P54 WeakPolarHBondContact O-CD 3.45Å
52K92.2Very high90.5Very high62 Ų6251 Ų5127%0.2729%0.289SS..SBendtrans-84.3-18.4-178.362.6175.8179.7-174.90113.3P54 V55 E56 V62 D64K52-P54 VanDerWaalsContact C-CD 3.43Å; K52-P54 VanDerWaalsContact C-N 3.32Å; K52-V55 WeakPolarHBondContact O-CA 3.48Å; K52-V55 WeakPolarHBondContact O-CB 3.08Å; K52-V55 PolarHBondContact O-N 3.17Å; K52-E56 PolarHBondContact O-N 3.18Å; K52-V62 HydrophobicContact CB-CB 3.9Å; K52-V62 HydrophobicContact CB-CG1 3.92Å; K52-V62 HydrophobicContact CB-CG2 4.06Å; K52-V62 HydrophobicContact CD-CB 3.98Å; K52-V62 HydrophobicContact CD-CG1 4.17Å; K52-D64 IonicContact NZ-OD2 3.32Å; K52-D64 PolarHBondContact NZ-OD2 2.82Å
53A92.7Very high90.4Very high47 Ų4752.5 Ų52.539%0.38830%0.297SS..Hα-helixtrans-54.1-39.6-176.400000114D51 V55 E56 K57D51-A53 PolarHBondContact OD1-N 2.91Å; D51-A53 WeakPolarHBondContact OD2-CB 3.5Å; A53-V55 VanDerWaalsContact C-N 3.3Å; A53-V55 PolarHBondContact O-N 3Å; A53-E56 PolarHBondContact O-N 3.49Å; A53-K57 VanDerWaalsContact O-CB 3.29Å; A53-K57 WeakPolarHBondContact O-CB 3.23Å; A53-K57 PolarHBondContact O-N 2.99Å
54P91.8Very high90.4Very high48 Ų4855.3 Ų55.331%0.31231%0.312SS..Hα-helixtrans-66.5-29.6176-21.634.7000113.7L27 D51 K52 E58L27-P54 HydrophobicContact CD2-CB 3.83Å; L27-P54 HydrophobicContact CD2-CG 3.83Å; D51-P54 WeakPolarHBondContact O-CD 3.45Å; K52-P54 VanDerWaalsContact C-CD 3.43Å; K52-P54 VanDerWaalsContact C-N 3.32Å; P54-E58 VanDerWaalsContact O-CG 3.26Å; P54-E58 WeakPolarHBondContact O-CG 3.32Å
55V93.4Very high90.3Very high0 Ų056.8 Ų56.80%032%0.318CS..Hα-helixtrans-78.1-41.9177.3-179.40000110.1L27 L34 L42 Y50 K52 A53 E58 I60 V62L27-V55 HydrophobicContact CD1-CG2 3.76Å; L27-V55 HydrophobicContact CD2-CG2 4.41Å; L27-V55 HydrophobicContact CG-CG2 4.16Å; L34-V55 HydrophobicContact CD1-CG1 4.49Å; L42-V55 HydrophobicContact CD2-CG1 4.31Å; Y50-V55 HydrophobicContact CE2-CG2 4.23Å; K52-V55 WeakPolarHBondContact O-CA 3.48Å; K52-V55 WeakPolarHBondContact O-CB 3.08Å; K52-V55 PolarHBondContact O-N 3.17Å; A53-V55 VanDerWaalsContact C-N 3.3Å; A53-V55 PolarHBondContact O-N 3Å; V55-E58 WeakPolarHBondContact O-CB 3.43Å; V55-E58 PolarHBondContact O-N 3.45Å; V55-I60 HydrophobicContact CG1-CB 3.75Å; V55-I60 HydrophobicContact CG1-CD1 4.32Å; V55-I60 HydrophobicContact CG1-CG2 3.79Å; V55-I60 PolarHBondContact O-N 3.34Å; V55-V62 HydrophobicContact CB-CG2 3.92Å; V55-V62 HydrophobicContact CG1-CG2 3.63Å
56E94.8Very high90.3Very high69 Ų6959.3 Ų59.332%0.32233%0.334SS..Hα-helixtrans-66.6-37.4177.7-67.7-172.4133.300112.5K52 A53 E58 G59 I60 H61 V62K52-E56 PolarHBondContact O-N 3.18Å; A53-E56 PolarHBondContact O-N 3.49Å; E56-E58 PolarHBondContact O-N 3.24Å; E56-E58 VanDerWaalsContact O-N 3.15Å; E56-G59 PolarHBondContact O-N 2.93Å; E56-I60 VanDerWaalsContact CA-O 3.3Å; E56-I60 WeakPolarHBondContact CA-O 3.37Å; E56-H61 IonicContact OE1-ND1 3.9Å; E56-V62 HydrophobicContact CG-CB 4.23Å; E56-V62 HydrophobicContact CG-CG2 3.92Å
57K93.9Very high90.2Very high178 Ų17861.2 Ų61.277%0.77434%0.34SS*.THydrogen-bonded Turntrans-57.1-29.5173.7-173.5179.5-179.7-176.20112.5A53 G59A53-K57 VanDerWaalsContact O-CB 3.29Å; A53-K57 WeakPolarHBondContact O-CB 3.23Å; A53-K57 PolarHBondContact O-N 2.99Å; K57-G59 VanDerWaalsContact C-N 3.27Å; K57-G59 PolarHBondContact O-N 2.87Å
58E93.3Very high89.8Confident93 Ų9361.4 Ų61.444%0.43534%0.341SS..THydrogen-bonded Turntrans-885.3-178-67.5-63.2130.100112.9T31 K35 P54 V55 E56T31-E58 HydrophobicContact CG2-CB 3.59Å; T31-E58 HydrophobicContact CG2-CG 3.74Å; K35-E58 WeakPolarHBondContact CE-O 3.39Å; K35-E58 PolarHBondContact NZ-O 3.36Å; K35-E58 VanDerWaalsContact NZ-O 3.14Å; K35-E58 IonicContact NZ-OE2 3.97Å; K35-E58 PolarHBondContact NZ-OE2 3.28Å; P54-E58 VanDerWaalsContact O-CG 3.26Å; P54-E58 WeakPolarHBondContact O-CG 3.32Å; V55-E58 WeakPolarHBondContact O-CB 3.43Å; V55-E58 PolarHBondContact O-N 3.45Å; E56-E58 PolarHBondContact O-N 3.24Å; E56-E58 VanDerWaalsContact O-N 3.15Å
59G92.4Very high89.1Confident63 Ų6363.6 Ų63.665%0.64934%0.344SS*.THydrogen-bonded Turntrans9210.1175.200000114.7E56 K57E56-G59 PolarHBondContact O-N 2.93Å; K57-G59 VanDerWaalsContact C-N 3.27Å; K57-G59 PolarHBondContact O-N 2.87Å
60I95.1Very high88.1Confident4 Ų464.1 Ų64.12%0.02136%0.362CS..  trans-102.9116180-62.4165.1000109T31 L34 K35 V39 L42 V55 E56T31-I60 HydrophobicContact CG2-CD1 4.08Å; L34-I60 HydrophobicContact CB-CD1 3.66Å; L34-I60 HydrophobicContact CD1-CD1 3.97Å; L34-I60 HydrophobicContact CD1-CG2 4.47Å; L34-I60 HydrophobicContact CG-CD1 4.5Å; K35-I60 HydrophobicContact CG-CD1 4.25Å; V39-I60 HydrophobicContact CG1-CG2 4.31Å; L42-I60 HydrophobicContact CB-CG2 3.91Å; V55-I60 HydrophobicContact CG1-CB 3.75Å; V55-I60 HydrophobicContact CG1-CD1 4.32Å; V55-I60 HydrophobicContact CG1-CG2 3.79Å; V55-I60 PolarHBondContact O-N 3.34Å; E56-I60 VanDerWaalsContact CA-O 3.3Å; E56-I60 WeakPolarHBondContact CA-O 3.37Å
61H94.6Very high87.1Confident90 Ų9065.4 Ų65.442%0.41738%0.376SS..EExtended strand (participates in β ladder)trans-73.1129.9178.9-173.155.1000111.1T40 T41 L42 E56 L63T40-H61 PolarHBondContact O-N 3.17Å; T41-H61 CarbonylContact C-O 3.58Å; T41-H61 WeakPolarHBondContact CA-O 3.39Å; L42-H61 PolarHBondContact N-O 3Å; E56-H61 IonicContact OE1-ND1 3.9Å; H61-L63 VanDerWaalsContact NE2-CD2 3.3Å; H61-L63 WeakPolarHBondContact NE2-CD2 3.38Å
62V94.1Very high86.2Confident2 Ų266.2 Ų66.21%0.01239%0.386CS..EExtended strand (participates in β ladder)trans-111.1120.3-177.6-1750000111.2L42 R44 K52 V55 E56L42-V62 HydrophobicContact CB-CG2 4.31Å; L42-V62 HydrophobicContact CD2-CG1 4.49Å; L42-V62 HydrophobicContact CD2-CG2 4.28Å; L42-V62 CarbonylContact O-C 3.55Å; L42-V62 VanDerWaalsContact O-CA 3.32Å; L42-V62 WeakPolarHBondContact O-CA 3.25Å; R44-V62 HydrophobicContact CG-CG1 3.78Å; K52-V62 HydrophobicContact CB-CB 3.9Å; K52-V62 HydrophobicContact CB-CG1 3.92Å; K52-V62 HydrophobicContact CB-CG2 4.06Å; K52-V62 HydrophobicContact CD-CB 3.98Å; K52-V62 HydrophobicContact CD-CG1 4.17Å; V55-V62 HydrophobicContact CB-CG2 3.92Å; V55-V62 HydrophobicContact CG1-CG2 3.63Å; E56-V62 HydrophobicContact CG-CB 4.23Å; E56-V62 HydrophobicContact CG-CG2 3.92Å
63L92.4Very high85.4Confident31 Ų3165.9 Ų65.916%0.16239%0.391CS..EExtended strand (participates in β ladder)trans-108135.9179.9-68169.5000111.2T41 L42 V43 R44 H61 W65 L84T41-L63 HydrophobicContact CG2-CD1 3.85Å; T41-L63 HydrophobicContact CG2-CG 4.43Å; L42-L63 PolarHBondContact O-N 3.42Å; V43-L63 HydrophobicContact CG2-CB 4.28Å; V43-L63 HydrophobicContact CG2-CD1 4.34Å; R44-L63 PolarHBondContact N-O 3.3Å; H61-L63 VanDerWaalsContact NE2-CD2 3.3Å; H61-L63 WeakPolarHBondContact NE2-CD2 3.38Å; L63-W65 HydrophobicContact CB-CZ2 4.38Å; L63-W65 HydrophobicContact CD1-CH2 4.03Å; L63-W65 HydrophobicContact CD1-CZ2 3.73Å; L63-W65 HydrophobicContact CG-CZ2 4.44Å; L63-L84 HydrophobicContact CD1-CD1 3.8Å; L63-L84 HydrophobicContact CD1-CD2 3.69Å; L63-L84 HydrophobicContact CD1-CG 4.35Å
64D90.9Very high84.7Confident58 Ų5866.8 Ų66.831%0.3139%0.392SS..EExtended strand (participates in β ladder)trans-110.499.3-176.1-71.9-54.2000110.5R44 K52 P66R44-D64 IonicContact CZ-OD1 3.93Å; R44-D64 IonicContact CZ-OD2 2.59Å; R44-D64 IonicContact NE-OD1 3.03Å; R44-D64 PolarHBondContact NE-OD1 3.09Å; R44-D64 IonicContact NH2-OD1 2.7Å; R44-D64 PolarHBondContact NH2-OD1 3.17Å; R44-D64 IonicContact NH2-OD2 2.96Å; R44-D64 PolarHBondContact NH2-OD2 3.31Å; K52-D64 IonicContact NZ-OD2 3.32Å; K52-D64 PolarHBondContact NZ-OD2 2.82Å; D64-P66 WeakPolarHBondContact O-CD 3.2Å
65W88.6Confident84.1Confident41 Ų4170.8 Ų70.816%0.15541%0.411CS..  trans-12463.2-180-59.9-25.5000111.4V43 R44 V45 L63 I77 D80 W81 L84V43-W65 HydrophobicContact CG1-CD2 4.06Å; V43-W65 HydrophobicContact CG1-CE3 3.52Å; V43-W65 HydrophobicContact CG1-CZ3 4.11Å; V43-W65 HydrophobicContact CG2-CZ3 4.36Å; R44-W65 CarbonylContact O-C 3.58Å; R44-W65 PolarHBondContact O-N 2.82Å; V45-W65 WeakPolarHBondContact CA-O 3.4Å; L63-W65 HydrophobicContact CB-CZ2 4.38Å; L63-W65 HydrophobicContact CD1-CH2 4.03Å; L63-W65 HydrophobicContact CD1-CZ2 3.73Å; L63-W65 HydrophobicContact CG-CZ2 4.44Å; W65-I77 HydrophobicContact CB-CD1 4.26Å; W65-I77 HydrophobicContact CB-CG2 4.05Å; W65-I77 HydrophobicContact CE3-CG2 4.38Å; W65-D80 HydrophobicContact CH2-CB 4.16Å; W65-D80 HydrophobicContact CZ2-CB 4.02Å; W65-W81 HydrophobicContact CE3-CB 4.49Å; W65-W81 HydrophobicContact CE3-CE3 4.47Å; W65-W81 VanDerWaalsContact CZ3-CA 3.48Å; W65-W81 HydrophobicContact CZ3-CB 3.75Å; W65-W81 HydrophobicContact CZ3-CD2 4.47Å; W65-W81 AromaticContact CZ3-CE3 3.81Å; W65-W81 HydrophobicContact CZ3-CE3 3.81Å; W65-L84 HydrophobicContact CH2-CB 3.92Å; W65-L84 HydrophobicContact CH2-CD2 3.71Å; W65-L84 HydrophobicContact CH2-CG 4.38Å; W65-L84 HydrophobicContact CZ3-CD2 4.14Å
66P84.7Confident83.5Confident67 Ų6777.5 Ų77.544%0.43544%0.443SS..  trans-64.8140.2-17928.8-34.9000111.6V45 D64V45-P66 WeakPolarHBondContact O-CA 3.37Å; D64-P66 WeakPolarHBondContact O-CD 3.2Å
67F80.4Confident82.9Confident64 Ų6475.5 Ų75.528%0.28143%0.434SS..  trans-145.1158.9166.962.3-92.4000110.8V45 D69 P73 I77V45-F67 HydrophobicContact CB-CD1 4.26Å; V45-F67 HydrophobicContact CB-CE1 3.64Å; V45-F67 HydrophobicContact CB-CZ 4.35Å; V45-F67 HydrophobicContact CG1-CE1 4.01Å; V45-F67 HydrophobicContact CG2-CE1 4.42Å; V45-F67 PolarHBondContact O-N 2.99Å; F67-D69 PolarHBondContact O-N 3.03Å; F67-P73 HydrophobicContact CD1-CB 4.32Å; F67-P73 HydrophobicContact CE1-CB 4.22Å; F67-P73 HydrophobicContact CE2-CB 4.45Å; F67-P73 HydrophobicContact CG-CB 4.46Å; F67-P73 HydrophobicContact CZ-CB 4.3Å; F67-I77 HydrophobicContact CB-CD1 4.07Å; F67-I77 HydrophobicContact CD1-CD1 4.16Å
68D72.3Confident82.2Confident131 Ų13168.7 Ų68.770%0.70141%0.407SS*.  trans-61.7133.7-173.2-67.5-29.2000112.9G70 A71D68-G70 PolarHBondContact O-N 2.79Å; D68-A71 HydrophobicContact CB-CB 3.92Å; D68-A71 WeakPolarHBondContact O-CB 3.21Å; D68-A71 PolarHBondContact O-N 2.86Å; D68-A71 VanDerWaalsContact O-N 3.08Å
69D69.1Low81.7Confident110 Ų11067.2 Ų67.259%0.58840%0.402SS*.THydrogen-bonded Turntrans-60.2127.1177.3-170.915.4000110.5F67 A71 R107F67-D69 PolarHBondContact O-N 3.03Å; D69-A71 VanDerWaalsContact C-N 3.28Å; D69-A71 PolarHBondContact O-N 2.81Å; D69-R107 IonicContact OD2-CZ 2.79Å; D69-R107 IonicContact OD2-NE 2.74Å; D69-R107 IonicContact OD2-NH2 3.66Å; D69-R107 PolarHBondContact OD2-NH2 3.48Å
70G65.6Low81.3Confident79 Ų7967 Ų6781%0.81439%0.386SS*.THydrogen-bonded Turntrans82.6-8.3-17800000115.6D68D68-G70 PolarHBondContact O-N 2.79Å
71A67.6Low80.9Confident40 Ų4068.2 Ų68.233%0.33139%0.391SS..SBendtrans-85151.2170.300000111.1D68 D69D68-A71 HydrophobicContact CB-CB 3.92Å; D68-A71 WeakPolarHBondContact O-CB 3.21Å; D68-A71 PolarHBondContact O-N 2.86Å; D68-A71 VanDerWaalsContact O-N 3.08Å; D69-A71 VanDerWaalsContact C-N 3.28Å; D69-A71 PolarHBondContact O-N 2.81Å
72P69.9Low80.4Confident113 Ų11364.2 Ų64.273%0.73437%0.372SS*.PPolyproline II helixtrans-63.8144.2167.428.6-33.4000110
73P75.3Confident80Confident56 Ų5667.8 Ų67.836%0.36439%0.391SS..PPolyproline II helixtrans-61.1138.4175.825.5-33.5000110.1F67 V78F67-P73 HydrophobicContact CD1-CB 4.32Å; F67-P73 HydrophobicContact CE1-CB 4.22Å; F67-P73 HydrophobicContact CE2-CB 4.45Å; F67-P73 HydrophobicContact CG-CB 4.46Å; F67-P73 HydrophobicContact CZ-CB 4.3Å; P73-V78 HydrophobicContact CB-CG2 4.07Å; P73-V78 HydrophobicContact CG-CG2 3.82Å
74P77.9Confident79.8Confident65 Ų6567.4 Ų67.442%0.42239%0.389SS..PPolyproline II helixtrans-54.3146.1173.2-24.331.8000112Q76 I77 V78P74-Q76 PolarHBondContact O-N 3.47Å; P74-Q76 VanDerWaalsContact O-N 3.1Å; P74-I77 HydrophobicContact CB-CG1 4.4Å; P74-I77 HydrophobicContact CG-CD1 4.13Å; P74-I77 HydrophobicContact CG-CG1 4.36Å; P74-I77 PolarHBondContact O-N 3Å; P74-V78 PolarHBondContact O-N 3.25Å; P74-V78 VanDerWaalsContact O-N 3.09Å
75N79.3Confident79.6Confident132 Ų13264.8 Ų64.871%0.70638%0.375SS*.Hα-helixtrans-53.6-35.5179.1-70.4-27.1000112.5V78 D79N75-V78 WeakPolarHBondContact O-CB 3.25Å; N75-V78 PolarHBondContact O-N 3.24Å; N75-D79 WeakPolarHBondContact O-CB 3.48Å; N75-D79 PolarHBondContact O-N 2.99Å
76Q81.3Confident79.4Confident142 Ų14266.4 Ų66.466%0.66438%0.383SS*.Hα-helixtrans-62.3-46.6176.5-174.7-177.8-2400112.3P74 V78 D79 D80P74-Q76 PolarHBondContact O-N 3.47Å; P74-Q76 VanDerWaalsContact O-N 3.1Å; Q76-V78 VanDerWaalsContact C-N 3.25Å; Q76-V78 PolarHBondContact O-N 3.3Å; Q76-D79 PolarHBondContact O-N 3.45Å; Q76-D80 WeakPolarHBondContact O-CB 3.48Å; Q76-D80 VanDerWaalsContact O-CG 3.28Å; Q76-D80 PolarHBondContact O-N 3.31Å
77I82.3Confident79.5Confident26 Ų2666.4 Ų66.413%0.13338%0.382CS..Hα-helixtrans-63.2-37.6177.4-62.8-172.2000110.4W65 F67 P74 W81W65-I77 HydrophobicContact CB-CD1 4.26Å; W65-I77 HydrophobicContact CB-CG2 4.05Å; W65-I77 HydrophobicContact CE3-CG2 4.38Å; F67-I77 HydrophobicContact CB-CD1 4.07Å; F67-I77 HydrophobicContact CD1-CD1 4.16Å; P74-I77 HydrophobicContact CB-CG1 4.4Å; P74-I77 HydrophobicContact CG-CD1 4.13Å; P74-I77 HydrophobicContact CG-CG1 4.36Å; P74-I77 PolarHBondContact O-N 3Å; I77-W81 VanDerWaalsContact O-CB 3.23Å; I77-W81 WeakPolarHBondContact O-CB 3.45Å; I77-W81 PolarHBondContact O-N 3.14Å
78V79.3Confident79.9Confident35 Ų3565.2 Ų65.221%0.21238%0.377CS..Hα-helixtrans-62.3-48.3174.5174.60000110.7P73 P74 N75 Q76 W81 L82 Y120P73-V78 HydrophobicContact CB-CG2 4.07Å; P73-V78 HydrophobicContact CG-CG2 3.82Å; P74-V78 PolarHBondContact O-N 3.25Å; P74-V78 VanDerWaalsContact O-N 3.09Å; N75-V78 WeakPolarHBondContact O-CB 3.25Å; N75-V78 PolarHBondContact O-N 3.24Å; Q76-V78 VanDerWaalsContact C-N 3.25Å; Q76-V78 PolarHBondContact O-N 3.3Å; V78-W81 PolarHBondContact O-N 2.95Å; V78-L82 HydrophobicContact CG1-CD1 3.72Å; V78-L82 VanDerWaalsContact O-CD1 3.29Å; V78-L82 WeakPolarHBondContact O-CD1 3.33Å; V78-L82 WeakPolarHBondContact O-CG 3.48Å; V78-L82 PolarHBondContact O-N 3.31Å; V78-Y120 HydrophobicContact CG1-CE1 4.34Å
79D81.8Confident80.5Confident62 Ų6259.3 Ų59.333%0.33235%0.345SS..Hα-helixtrans-65.3-42.3179.5-73.8-30000112.2N75 Q76 L82 N83 Y124N75-D79 WeakPolarHBondContact O-CB 3.48Å; N75-D79 PolarHBondContact O-N 2.99Å; Q76-D79 PolarHBondContact O-N 3.45Å; D79-L82 PolarHBondContact O-N 3.1Å; D79-N83 WeakPolarHBondContact O-CB 3.35Å; D79-N83 VanDerWaalsContact O-CG 3.25Å; D79-N83 PolarHBondContact O-N 3.08Å; D79-N83 PolarHBondContact O-ND2 3.42Å; D79-Y124 PolarHBondContact OD1-OH 2.89Å
80D85.6Confident81.3Confident60 Ų6064.3 Ų64.332%0.32136%0.355SS..Hα-helixtrans-63.2-42.9176.8-71.3-22.1000111.5W65 Q76 L82 N83 L84W65-D80 HydrophobicContact CH2-CB 4.16Å; W65-D80 HydrophobicContact CZ2-CB 4.02Å; Q76-D80 WeakPolarHBondContact O-CB 3.48Å; Q76-D80 VanDerWaalsContact O-CG 3.28Å; Q76-D80 PolarHBondContact O-N 3.31Å; D80-L82 PolarHBondContact O-N 2.99Å; D80-N83 PolarHBondContact O-N 3.21Å; D80-L84 WeakPolarHBondContact O-CB 3.21Å; D80-L84 PolarHBondContact O-N 2.75Å
81W85.6Confident82.4Confident29 Ų2966.9 Ų66.911%0.1135%0.346CS..Hα-helixtrans-58.6-48172.3173.8-97000111.4F16 V43 W65 I77 V78 N83 L84 L85 V97 V99 F113F16-W81 AromaticContact CD1-CH2 3.98Å; F16-W81 HydrophobicContact CD1-CH2 3.98Å; F16-W81 AromaticContact CD1-CZ2 3.82Å; F16-W81 HydrophobicContact CD1-CZ2 3.82Å; F16-W81 HydrophobicContact CE1-CH2 4.06Å; F16-W81 AromaticContact CE1-CZ2 3.56Å; F16-W81 HydrophobicContact CE1-CZ2 3.56Å; V43-W81 HydrophobicContact CB-CZ3 4.17Å; V43-W81 HydrophobicContact CG2-CE3 4.17Å; V43-W81 HydrophobicContact CG2-CZ3 3.73Å; W65-W81 HydrophobicContact CE3-CB 4.49Å; W65-W81 HydrophobicContact CE3-CE3 4.47Å; W65-W81 VanDerWaalsContact CZ3-CA 3.48Å; W65-W81 HydrophobicContact CZ3-CB 3.75Å; W65-W81 HydrophobicContact CZ3-CD2 4.47Å; W65-W81 AromaticContact CZ3-CE3 3.81Å; W65-W81 HydrophobicContact CZ3-CE3 3.81Å; I77-W81 VanDerWaalsContact O-CB 3.23Å; I77-W81 WeakPolarHBondContact O-CB 3.45Å; I77-W81 PolarHBondContact O-N 3.14Å; V78-W81 PolarHBondContact O-N 2.95Å; W81-N83 VanDerWaalsContact C-N 3.3Å; W81-N83 PolarHBondContact O-N 2.81Å; W81-L84 HydrophobicContact CE3-CD2 4.44Å; W81-L84 WeakPolarHBondContact O-CB 3.41Å; W81-L84 PolarHBondContact O-N 2.84Å; W81-L85 HydrophobicContact CD2-CD2 4.31Å; W81-L85 HydrophobicContact CD2-CG 4.36Å; W81-L85 HydrophobicContact CH2-CD2 3.93Å; W81-L85 HydrophobicContact CZ2-CD1 3.79Å; W81-L85 HydrophobicContact CZ2-CD2 3.65Å; W81-L85 HydrophobicContact CZ2-CG 4.07Å; W81-L85 HydrophobicContact CZ3-CD2 4.39Å; W81-L85 VanDerWaalsContact NE1-CD1 3.32Å; W81-L85 VanDerWaalsContact O-CG 3.32Å; W81-L85 WeakPolarHBondContact O-CG 3.12Å; W81-L85 PolarHBondContact O-N 2.79Å; W81-V97 HydrophobicContact CH2-CB 4.5Å; W81-V97 HydrophobicContact CH2-CG1 3.66Å; W81-V97 HydrophobicContact CZ3-CG1 3.79Å; W81-V99 HydrophobicContact CH2-CG2 3.4Å; W81-V99 HydrophobicContact CZ2-CG2 4.44Å; W81-V99 HydrophobicContact CZ3-CG2 3.54Å; W81-F113 AromaticContact CE2-CZ 3.57Å; W81-F113 HydrophobicContact CH2-CE2 4.38Å; W81-F113 AromaticContact CH2-CZ 3.98Å; W81-F113 HydrophobicContact CH2-CZ 3.98Å; W81-F113 AromaticContact CZ2-CE1 3.91Å; W81-F113 HydrophobicContact CZ2-CE1 3.91Å; W81-F113 AromaticContact CZ2-CE2 3.96Å; W81-F113 HydrophobicContact CZ2-CE2 3.96Å; W81-F113 AromaticContact CZ2-CZ 3.2Å; W81-F113 HydrophobicContact CZ2-CZ 3.2Å; W81-F113 AromaticContact NE1-CE1 3.74Å; W81-F113 AromaticContact NE1-CZ 3.79Å
82L84.4Confident83.3Confident6 Ų668.2 Ų68.23%0.03135%0.346CS..Hα-helixtrans-63.6-37-179.6-66.5164.2000112.4V78 D79 D80 K86 Y120 L121 Y124V78-L82 HydrophobicContact CG1-CD1 3.72Å; V78-L82 VanDerWaalsContact O-CD1 3.29Å; V78-L82 WeakPolarHBondContact O-CD1 3.33Å; V78-L82 WeakPolarHBondContact O-CG 3.48Å; V78-L82 PolarHBondContact O-N 3.31Å; D79-L82 PolarHBondContact O-N 3.1Å; D80-L82 PolarHBondContact O-N 2.99Å; L82-K86 VanDerWaalsContact O-CG 3.29Å; L82-K86 WeakPolarHBondContact O-CG 3.35Å; L82-K86 PolarHBondContact O-N 3.01Å; L82-Y120 HydrophobicContact CD1-CE1 3.87Å; L82-Y120 HydrophobicContact CD2-CE1 4.33Å; L82-L121 HydrophobicContact CD2-CD2 3.14Å; L82-L121 HydrophobicContact CD2-CG 4.42Å; L82-Y124 HydrophobicContact CB-CD1 4.19Å; L82-Y124 HydrophobicContact CB-CE1 3.83Å; L82-Y124 HydrophobicContact CD1-CD1 3.64Å; L82-Y124 HydrophobicContact CD1-CD2 3.76Å; L82-Y124 HydrophobicContact CD1-CE1 3.39Å; L82-Y124 HydrophobicContact CD1-CE2 3.5Å; L82-Y124 HydrophobicContact CD1-CG 3.82Å; L82-Y124 HydrophobicContact CD2-CD1 4.03Å; L82-Y124 HydrophobicContact CD2-CE1 4.43Å; L82-Y124 HydrophobicContact CD2-CG 4.3Å; L82-Y124 HydrophobicContact CG-CD1 4.16Å; L82-Y124 HydrophobicContact CG-CE1 4.06Å
83N86.3Confident84Confident77 Ų7768 Ų6841%0.41235%0.345SS..Hα-helixtrans-69.8-42.6175.7-70.2-29.9000111.5D79 D80 W81 L85 K86 T87D79-N83 WeakPolarHBondContact O-CB 3.35Å; D79-N83 VanDerWaalsContact O-CG 3.25Å; D79-N83 PolarHBondContact O-N 3.08Å; D79-N83 PolarHBondContact O-ND2 3.42Å; D80-N83 PolarHBondContact O-N 3.21Å; W81-N83 VanDerWaalsContact C-N 3.3Å; W81-N83 PolarHBondContact O-N 2.81Å; N83-L85 VanDerWaalsContact C-N 3.33Å; N83-L85 PolarHBondContact O-N 3.49Å; N83-K86 PolarHBondContact O-N 3.33Å; N83-T87 PolarHBondContact O-N 3.37Å; N83-T87 PolarHBondContact O-OG1 3.45Å
84L88.7Confident84.5Confident23 Ų2367.4 Ų67.412%0.1235%0.348CS..Hα-helixtrans-54.8-50.1173.9176.171.8000110.9T41 V43 L63 W65 D80 W81 K86 T87 K88 V97T41-L84 HydrophobicContact CG2-CD1 4.3Å; T41-L84 HydrophobicContact CG2-CD2 4.14Å; V43-L84 HydrophobicContact CG2-CD2 3.91Å; L63-L84 HydrophobicContact CD1-CD1 3.8Å; L63-L84 HydrophobicContact CD1-CD2 3.69Å; L63-L84 HydrophobicContact CD1-CG 4.35Å; W65-L84 HydrophobicContact CH2-CB 3.92Å; W65-L84 HydrophobicContact CH2-CD2 3.71Å; W65-L84 HydrophobicContact CH2-CG 4.38Å; W65-L84 HydrophobicContact CZ3-CD2 4.14Å; D80-L84 WeakPolarHBondContact O-CB 3.21Å; D80-L84 PolarHBondContact O-N 2.75Å; W81-L84 HydrophobicContact CE3-CD2 4.44Å; W81-L84 WeakPolarHBondContact O-CB 3.41Å; W81-L84 PolarHBondContact O-N 2.84Å; L84-K86 PolarHBondContact O-N 3.02Å; L84-T87 PolarHBondContact O-N 3.34Å; L84-K88 HydrophobicContact CD1-CG 3.62Å; L84-K88 HydrophobicContact CG-CG 4.15Å; L84-K88 VanDerWaalsContact O-CB 3.25Å; L84-K88 WeakPolarHBondContact O-CB 3.32Å; L84-K88 WeakPolarHBondContact O-CG 3.34Å; L84-K88 PolarHBondContact O-N 3.09Å; L84-V97 HydrophobicContact CD2-CG1 4.44Å
85L86.4Confident85.1Confident2 Ų264.7 Ų64.71%0.0133%0.331CS..Hα-helixtrans-62.7-43.5-177.9-61.8-164.5000112.4M14 F16 W81 N83 T87 F89 V97 L121M14-L85 HydrophobicContact SD-CD1 4.42Å; F16-L85 HydrophobicContact CE1-CD1 3.59Å; F16-L85 HydrophobicContact CE1-CD2 3.66Å; F16-L85 HydrophobicContact CE1-CG 4.23Å; F16-L85 HydrophobicContact CZ-CD1 3.61Å; F16-L85 HydrophobicContact CZ-CD2 4.41Å; W81-L85 HydrophobicContact CD2-CD2 4.31Å; W81-L85 HydrophobicContact CD2-CG 4.36Å; W81-L85 HydrophobicContact CH2-CD2 3.93Å; W81-L85 HydrophobicContact CZ2-CD1 3.79Å; W81-L85 HydrophobicContact CZ2-CD2 3.65Å; W81-L85 HydrophobicContact CZ2-CG 4.07Å; W81-L85 HydrophobicContact CZ3-CD2 4.39Å; W81-L85 VanDerWaalsContact NE1-CD1 3.32Å; W81-L85 VanDerWaalsContact O-CG 3.32Å; W81-L85 WeakPolarHBondContact O-CG 3.12Å; W81-L85 PolarHBondContact O-N 2.79Å; N83-L85 VanDerWaalsContact C-N 3.33Å; N83-L85 PolarHBondContact O-N 3.49Å; L85-T87 VanDerWaalsContact C-N 3.32Å; L85-T87 PolarHBondContact O-N 2.92Å; L85-F89 HydrophobicContact CB-CD2 4.05Å; L85-F89 HydrophobicContact CB-CE2 4.11Å; L85-F89 HydrophobicContact CD1-CE2 4.45Å; L85-F89 HydrophobicContact CD2-CD2 4.46Å; L85-F89 HydrophobicContact CD2-CE2 3.77Å; L85-F89 HydrophobicContact CG-CE2 4.28Å; L85-F89 WeakPolarHBondContact O-CB 3.44Å; L85-F89 VanDerWaalsContact O-CD2 3.23Å; L85-F89 WeakPolarHBondContact O-CD2 3.39Å; L85-F89 PolarHBondContact O-N 3.5Å; L85-V97 HydrophobicContact CD2-CB 4.47Å; L85-V97 HydrophobicContact CD2-CG1 4.39Å; L85-V97 HydrophobicContact CD2-CG2 4.2Å; L85-L121 HydrophobicContact CD1-CD1 4.4Å; L85-L121 HydrophobicContact CD1-CD2 3.99Å
86K83.8Confident85.7Confident75 Ų7558.4 Ų58.433%0.32630%0.297SS..Hα-helixtrans-62-40.8178.9-75.6170.3-172.4163.50112.4L82 N83 L84 R90L82-K86 VanDerWaalsContact O-CG 3.29Å; L82-K86 WeakPolarHBondContact O-CG 3.35Å; L82-K86 PolarHBondContact O-N 3.01Å; N83-K86 PolarHBondContact O-N 3.33Å; L84-K86 PolarHBondContact O-N 3.02Å; K86-R90 WeakPolarHBondContact O-CB 3.36Å
87T86.8Confident86.2Confident67 Ų6751.7 Ų51.741%0.41127%0.266SS..Hα-helixtrans-73.4-52.7179.1-600000109.9N83 L84 L85 R90 E91N83-T87 PolarHBondContact O-N 3.37Å; N83-T87 PolarHBondContact O-OG1 3.45Å; L84-T87 PolarHBondContact O-N 3.34Å; L85-T87 VanDerWaalsContact C-N 3.32Å; L85-T87 PolarHBondContact O-N 2.92Å; T87-R90 PolarHBondContact O-N 3.27Å; T87-E91 VanDerWaalsContact CG2-CD 3.48Å; T87-E91 HydrophobicContact CG2-CG 4.24Å; T87-E91 WeakPolarHBondContact CG2-OE2 3.43Å; T87-E91 WeakPolarHBondContact O-CB 3.3Å; T87-E91 WeakPolarHBondContact O-CG 3.47Å; T87-E91 PolarHBondContact O-N 2.74Å
88K88.3Confident86.6Confident40 Ų4050.4 Ų50.417%0.17426%0.259CS..Hα-helixtrans-62.8-50-173.9-74.5-61.4-169.1-179.70113.8T41 L84 R90 E91 E92T41-K88 WeakPolarHBondContact OG1-CE 3.32Å; L84-K88 HydrophobicContact CD1-CG 3.62Å; L84-K88 HydrophobicContact CG-CG 4.15Å; L84-K88 VanDerWaalsContact O-CB 3.25Å; L84-K88 WeakPolarHBondContact O-CB 3.32Å; L84-K88 WeakPolarHBondContact O-CG 3.34Å; L84-K88 PolarHBondContact O-N 3.09Å; K88-R90 PolarHBondContact O-N 2.88Å; K88-E91 PolarHBondContact O-N 2.05Å; K88-E92 WeakPolarHBondContact CD-OE2 3.4Å; K88-E92 IonicContact NZ-OE2 2.62Å; K88-E92 PolarHBondContact NZ-OE2 3.26Å; K88-E92 WeakPolarHBondContact O-CA 3.43Å; K88-E92 PolarHBondContact O-N 3.3Å
89F86.1Confident87.1Confident6 Ų649.2 Ų49.23%0.02625%0.252CS..Hα-helixtrans-73.8-10-179.9-63.9-60.6000113.8M14 R15 F16 L85 C95 V97M14-F89 HydrophobicContact CB-CD1 4.46Å; M14-F89 HydrophobicContact CB-CD2 3.85Å; M14-F89 HydrophobicContact CB-CE1 4.24Å; M14-F89 HydrophobicContact CB-CE2 3.55Å; M14-F89 HydrophobicContact CB-CG 4.29Å; M14-F89 HydrophobicContact CB-CZ 3.79Å; M14-F89 HydrophobicContact CE-CD2 4.33Å; M14-F89 HydrophobicContact CG-CB 4.46Å; M14-F89 HydrophobicContact CG-CD2 3.45Å; M14-F89 VanDerWaalsContact CG-CD2 3.45Å; M14-F89 HydrophobicContact CG-CE2 3.66Å; M14-F89 HydrophobicContact CG-CG 3.94Å; M14-F89 HydrophobicContact CG-CZ 4.34Å; M14-F89 HydrophobicContact SD-CD2 3.88Å; M14-F89 HydrophobicContact SD-CE2 4Å; R15-F89 WeakPolarHBondContact O-CZ 3.45Å; F16-F89 HydrophobicContact CD1-CZ 4.39Å; F16-F89 AromaticContact CE1-CE2 3.76Å; F16-F89 HydrophobicContact CE1-CE2 3.76Å; F16-F89 AromaticContact CE1-CZ 3.88Å; F16-F89 HydrophobicContact CE1-CZ 3.88Å; F16-F89 AromaticContact CZ-CE2 3.77Å; F16-F89 HydrophobicContact CZ-CE2 3.77Å; F16-F89 HydrophobicContact CZ-CZ 4.07Å; L85-F89 HydrophobicContact CB-CD2 4.05Å; L85-F89 HydrophobicContact CB-CE2 4.11Å; L85-F89 HydrophobicContact CD1-CE2 4.45Å; L85-F89 HydrophobicContact CD2-CD2 4.46Å; L85-F89 HydrophobicContact CD2-CE2 3.77Å; L85-F89 HydrophobicContact CG-CE2 4.28Å; L85-F89 WeakPolarHBondContact O-CB 3.44Å; L85-F89 VanDerWaalsContact O-CD2 3.23Å; L85-F89 WeakPolarHBondContact O-CD2 3.39Å; L85-F89 PolarHBondContact O-N 3.5Å; F89-C95 WeakPolarHBondContact CE1-O 3.5Å; F89-V97 HydrophobicContact CE1-CG2 4.28Å; F89-V97 HydrophobicContact CE2-CG2 4.3Å; F89-V97 HydrophobicContact CZ-CB 4.34Å; F89-V97 HydrophobicContact CZ-CG2 3.79Å
90R85.8Confident87.2Confident215 Ų21546.4 Ų46.481%0.81124%0.237SC*.Hα-helixtrans-89-42.2172-176.9-179.4-178.6-175.5-0.3112K86 T87 K88K86-R90 WeakPolarHBondContact O-CB 3.36Å; T87-R90 PolarHBondContact O-N 3.27Å; K88-R90 PolarHBondContact O-N 2.88Å
91E88Confident86.8Confident134 Ų13444.1 Ų44.163%0.62623%0.225SC*.Hα-helixtrans-78.1-36-179.4-69.8-179.2162.300112.3T87 K88 P93T87-E91 VanDerWaalsContact CG2-CD 3.48Å; T87-E91 HydrophobicContact CG2-CG 4.24Å; T87-E91 WeakPolarHBondContact CG2-OE2 3.43Å; T87-E91 WeakPolarHBondContact O-CB 3.3Å; T87-E91 WeakPolarHBondContact O-CG 3.47Å; T87-E91 PolarHBondContact O-N 2.74Å; K88-E91 PolarHBondContact O-N 2.05Å; E91-P93 WeakPolarHBondContact O-CD 3.27Å
92E86.4Confident85.6Confident67 Ų6746.1 Ų46.131%0.31324%0.241SC..SBendtrans-125.177.4-175.8-57.3179.573.100110.4T40 K88 G94 C95T40-E92 WeakPolarHBondContact CG2-OE1 3.43Å; K88-E92 WeakPolarHBondContact CD-OE2 3.4Å; K88-E92 IonicContact NZ-OE2 2.62Å; K88-E92 PolarHBondContact NZ-OE2 3.26Å; K88-E92 WeakPolarHBondContact O-CA 3.43Å; K88-E92 PolarHBondContact O-N 3.3Å; E92-G94 PolarHBondContact O-N 3.45Å; E92-C95 HydrophobicContact CB-CB 3.8Å; E92-C95 VanDerWaalsContact O-CB 3.27Å; E92-C95 WeakPolarHBondContact O-CB 3.39Å; E92-C95 PolarHBondContact O-N 2.8Å; E92-C95 VanDerWaalsContact O-N 3.14Å; E92-C95 PolarHBondContact O-SG 2.87Å
93P86Confident84.2Confident110 Ų11047.9 Ų47.971%0.71426%0.256SS*.THydrogen-bonded Turntrans-57.9128.8179.9-21.832.5000111.7E91 C95E91-P93 WeakPolarHBondContact O-CD 3.27Å; P93-C95 VanDerWaalsContact C-N 3.31Å
94G84.4Confident82.6Confident42 Ų4245.9 Ų45.943%0.43325%0.253SS..THydrogen-bonded Turntrans82.82179.300000115.3R15 E92R15-G94 PolarHBondContact NH1-O 3.2Å; R15-G94 VanDerWaalsContact NH1-O 3.11Å; E92-G94 PolarHBondContact O-N 3.45Å
95C89.9Confident81Confident9 Ų947.5 Ų47.56%0.06126%0.262CS..  trans-62.1165.2171.480.90000111.5T40 F89 E92 P93T40-C95 HydrophobicContact CG2-CB 3.92Å; F89-C95 WeakPolarHBondContact CE1-O 3.5Å; E92-C95 HydrophobicContact CB-CB 3.8Å; E92-C95 VanDerWaalsContact O-CB 3.27Å; E92-C95 WeakPolarHBondContact O-CB 3.39Å; E92-C95 PolarHBondContact O-N 2.8Å; E92-C95 VanDerWaalsContact O-N 3.14Å; E92-C95 PolarHBondContact O-SG 2.87Å; P93-C95 VanDerWaalsContact C-N 3.31Å
96C91.9Very high79.3Confident0 Ų050.2 Ų50.20%029%0.291CS..EExtended strand (participates in β ladder)trans-121.4137.8175.1-172.50000110.6R15 G38 V39 T40R15-C96 HydrophobicContact CB-CB 4.24Å; R15-C96 WeakPolarHBondContact O-CA 3.45Å; G38-C96 WeakPolarHBondContact O-CB 3.26Å; G38-C96 PolarHBondContact O-N 3.43Å; V39-C96 VanDerWaalsContact CA-O 3.25Å; V39-C96 WeakPolarHBondContact CA-O 3.3Å; V39-C96 HydrophobicContact CG2-CB 3.97Å; T40-C96 PolarHBondContact N-O 3.22Å
97V91.8Very high77.3Confident0 Ų054.9 Ų54.90%031%0.306CS..EExtended strand (participates in β ladder)trans-106.6116.3173.7179.90000108.9R15 F16 L17 T41 V43 W81 L84 L85 F89R15-V97 PolarHBondContact O-N 3.39Å; F16-V97 CarbonylContact C-O 3.59Å; F16-V97 WeakPolarHBondContact CA-O 3.45Å; F16-V97 HydrophobicContact CD1-CB 4.22Å; L17-V97 PolarHBondContact N-O 3.15Å; T41-V97 WeakPolarHBondContact O-CA 3.48Å; V43-V97 HydrophobicContact CG2-CG1 4.32Å; W81-V97 HydrophobicContact CH2-CB 4.5Å; W81-V97 HydrophobicContact CH2-CG1 3.66Å; W81-V97 HydrophobicContact CZ3-CG1 3.79Å; L84-V97 HydrophobicContact CD2-CG1 4.44Å; L85-V97 HydrophobicContact CD2-CB 4.47Å; L85-V97 HydrophobicContact CD2-CG1 4.39Å; L85-V97 HydrophobicContact CD2-CG2 4.2Å; F89-V97 HydrophobicContact CE1-CG2 4.28Å; F89-V97 HydrophobicContact CE2-CG2 4.3Å; F89-V97 HydrophobicContact CZ-CB 4.34Å; F89-V97 HydrophobicContact CZ-CG2 3.79Å
98A91.6Very high75Confident0 Ų061.8 Ų61.80%033%0.331CS..EExtended strand (participates in β ladder)trans-90.5146.2178.300000111.9L17 L34 V39 T41 L42 V43L17-A98 HydrophobicContact CB-CB 4.04Å; L17-A98 CarbonylContact O-C 3.59Å; L17-A98 WeakPolarHBondContact O-CA 3.34Å; L34-A98 HydrophobicContact CD2-CB 3.86Å; V39-A98 HydrophobicContact CB-CB 4.41Å; V39-A98 HydrophobicContact CG1-CB 3.55Å; V39-A98 HydrophobicContact CG2-CB 3.94Å; T41-A98 PolarHBondContact O-N 3.08Å; L42-A98 CarbonylContact C-O 3.59Å; L42-A98 WeakPolarHBondContact CA-O 3.31Å; L42-A98 HydrophobicContact CD1-CB 3.5Å; L42-A98 VanDerWaalsContact CD1-CB 3.5Å; V43-A98 PolarHBondContact N-O 3.38Å
99V89.4Confident72.8Confident9 Ų970.9 Ų70.96%0.05536%0.364CS..EExtended strand (participates in β ladder)trans-135.2135.9175.6-170.60000109.4L17 T19 V43 V45 W81 L105 F113L17-V99 PolarHBondContact O-N 2.9Å; T19-V99 PolarHBondContact N-O 3.17Å; T19-V99 VanDerWaalsContact N-O 3.14Å; V43-V99 HydrophobicContact CB-CG2 4.4Å; V43-V99 WeakPolarHBondContact O-CA 3.4Å; V45-V99 HydrophobicContact CG1-CG1 3.92Å; V45-V99 HydrophobicContact CG2-CG1 4.36Å; W81-V99 HydrophobicContact CH2-CG2 3.4Å; W81-V99 HydrophobicContact CZ2-CG2 4.44Å; W81-V99 HydrophobicContact CZ3-CG2 3.54Å; V99-L105 HydrophobicContact CG1-CD1 4.3Å; V99-F113 HydrophobicContact CG2-CE2 4.43Å
100H85.2Confident70.7Confident4 Ų480 Ų802%0.01940%0.398CS..EExtended strand (participates in β ladder)trans-140.815517278.693.1000112.3T19 N21 V43 R44 V45 Y50T19-H100 HydrophobicContact CG2-CB 3.89Å; T19-H100 VanDerWaalsContact O-CB 3.3Å; T19-H100 WeakPolarHBondContact O-CB 3.32Å; N21-H100 PolarHBondContact OD1-CE1 3.14Å; N21-H100 PolarHBondContact OD1-ND1 3Å; V43-H100 PolarHBondContact O-N 2.87Å; R44-H100 WeakPolarHBondContact CD-NE2 3.3Å; R44-H100 VanDerWaalsContact CG-NE2 3.26Å; R44-H100 WeakPolarHBondContact CG-NE2 3.41Å; V45-H100 WeakPolarHBondContact CG2-O 3.47Å; V45-H100 PolarHBondContact N-O 3.47Å; Y50-H100 AromaticContact CE1-CE1 3.74Å; Y50-H100 AromaticContact CE1-NE2 3.91Å; Y50-H100 AromaticContact CZ-NE2 3.97Å; Y50-H100 PolarHBondContact OH-NE2 3.37Å; Y50-H100 VanDerWaalsContact OH-NE2 3.15Å
101C76.6Confident68.7Low11 Ų1172.1 Ų72.17%0.07438%0.384CS..EExtended strand (participates in β ladder)trans-128.3154166177.70000110.2V45 C46 A103 G104 L105V45-C101 HydrophobicContact CG2-CB 3.83Å; C46-C101 HydrophobicContact CB-CB 4.1Å; C46-C101 WeakPolarHBondContact CB-SG 3.41Å; C46-C101 WeakPolarHBondContact SG-CB 3.48Å; C46-C101 CovalentContact SG-SG 2.05Å; C46-C101 PolarHBondContact SG-SG 3Å; C101-A103 VanDerWaalsContact C-N 3.33Å; C101-A103 PolarHBondContact O-N 3.35Å; C101-G104 PolarHBondContact O-N 3.25Å; C101-L105 HydrophobicContact CB-CD2 4.29Å; C101-L105 HydrophobicContact CB-CG 4.28Å
102V59.5Low66.8Low72 Ų7266.7 Ų66.744%0.43636%0.362SS..THydrogen-bonded Turntrans-57.4-40.8175.8-178.10000112.5C46 T49 G104C46-V102 HydrophobicContact CB-CB 4.24Å; C46-V102 HydrophobicContact CB-CG2 3.81Å; T49-V102 HydrophobicContact CG2-CG1 4.4Å; T49-V102 HydrophobicContact CG2-CG2 3.66Å; V102-G104 PolarHBondContact O-N 3.01Å
103A55.2Low65.2Low43 Ų4365 Ų6536%0.35535%0.353SS..THydrogen-bonded Turntrans-78.1-0.3-178.700000114.4C101C101-A103 VanDerWaalsContact C-N 3.33Å; C101-A103 PolarHBondContact O-N 3.35Å
104G53.1Low63.8Low34 Ų3461.7 Ų61.735%0.35133%0.33SS..  trans68.5145-158.600000110.3C101 V102 G106C101-G104 PolarHBondContact O-N 3.25Å; V102-G104 PolarHBondContact O-N 3.01Å; G104-G106 PolarHBondContact O-N 3.48Å
105L55.7Low62.2Low57 Ų5763.5 Ų63.530%0.29834%0.336SS..SBendtrans-72.533.2177.6-74.3155000112.5I18 V99 C101 A112I18-L105 HydrophobicContact CB-CD1 4.42Å; I18-L105 HydrophobicContact CG1-CD1 4.38Å; I18-L105 HydrophobicContact CG2-CB 4.15Å; I18-L105 HydrophobicContact CG2-CD1 3.55Å; I18-L105 HydrophobicContact CG2-CG 4.46Å; V99-L105 HydrophobicContact CG1-CD1 4.3Å; C101-L105 HydrophobicContact CB-CD2 4.29Å; C101-L105 HydrophobicContact CB-CG 4.28Å; L105-A112 HydrophobicContact CB-CB 3.92Å; L105-A112 HydrophobicContact CD1-CB 3.73Å; L105-A112 HydrophobicContact CD2-CB 3.85Å; L105-A112 HydrophobicContact CG-CB 4.02Å
106G50.2Low60.4Low60 Ų6070.4 Ų70.462%0.61937%0.365SS*.  trans-139.772.2-168.400000111.8G104G104-G106 PolarHBondContact O-N 3.48Å
107R40.7Very low58.9Low172 Ų17274.4 Ų74.465%0.64938%0.384SS*.SBendtrans-12893.2152.9-68.3-164.1-82.7-160.62.6110.3D69 R109D69-R107 IonicContact OD2-CZ 2.79Å; D69-R107 IonicContact OD2-NE 2.74Å; D69-R107 IonicContact OD2-NH2 3.66Å; D69-R107 PolarHBondContact OD2-NH2 3.48Å; R107-R109 PolarHBondContact O-N 3.17Å
108K40Very low57.4Low213 Ų21375.6 Ų75.693%0.92639%0.39SS*.SBendtrans704.9158.2-76.9-175.8176.1178.40121.9
109R41Very low55.8Low231 Ų23179.5 Ų79.587%0.87241%0.41SS*.SBendtrans-138.786.2167.7-65.1-170.1-179.6-165.81.2113.3R107R107-R109 PolarHBondContact O-N 3.17Å
110R41.5Very low54.4Low196 Ų19684.3 Ų84.374%0.7443%0.428SS*.SBendtrans4768.9154-58.3-176.5-173.5-177.12.4117.9
111G45.3Very low53.3Low51 Ų5185.5 Ų85.553%0.52644%0.435SS..  trans64.7151.1165.400000114.8F113G111-F113 PolarHBondContact O-N 3.46Å
112A46.8Very low52.7Low19 Ų1990.4 Ų90.416%0.15746%0.456CS..SBendtrans-60.8-28.5178.900000112.8I18 L105 Q117I18-A112 HydrophobicContact CD1-CB 3.47Å; I18-A112 VanDerWaalsContact CD1-CB 3.47Å; I18-A112 HydrophobicContact CG1-CB 3.88Å; L105-A112 HydrophobicContact CB-CB 3.92Å; L105-A112 HydrophobicContact CD1-CB 3.73Å; L105-A112 HydrophobicContact CD2-CB 3.85Å; L105-A112 HydrophobicContact CG-CB 4.02Å; A112-Q117 PolarHBondContact O-NE2 2.62Å; A112-Q117 VanDerWaalsContact O-NE2 3.16Å; A112-Q117 PolarHBondContact O-OE1 2.96Å
113F53Low52.7Low31 Ų3193.9 Ų93.914%0.13647%0.466CS..SBendtrans-130.4102.1173.6-71.3-85.3000109.3I9 W81 V99 G111 Q117 L121I9-F113 HydrophobicContact CD1-CB 4Å; W81-F113 AromaticContact CE2-CZ 3.57Å; W81-F113 HydrophobicContact CH2-CE2 4.38Å; W81-F113 AromaticContact CH2-CZ 3.98Å; W81-F113 HydrophobicContact CH2-CZ 3.98Å; W81-F113 AromaticContact CZ2-CE1 3.91Å; W81-F113 HydrophobicContact CZ2-CE1 3.91Å; W81-F113 AromaticContact CZ2-CE2 3.96Å; W81-F113 HydrophobicContact CZ2-CE2 3.96Å; W81-F113 AromaticContact CZ2-CZ 3.2Å; W81-F113 HydrophobicContact CZ2-CZ 3.2Å; W81-F113 AromaticContact NE1-CE1 3.74Å; W81-F113 AromaticContact NE1-CZ 3.79Å; V99-F113 HydrophobicContact CG2-CE2 4.43Å; G111-F113 PolarHBondContact O-N 3.46Å; F113-Q117 VanDerWaalsContact CA-OE1 3.29Å; F113-Q117 HydrophobicContact CD1-CB 4.22Å; F113-L121 HydrophobicContact CD1-CD1 4.48Å; F113-L121 HydrophobicContact CE1-CD1 4.49Å
114N57.1Low53Low41 Ų4193.9 Ų93.922%0.21946%0.457CS..  trans-78.6160.6169.2-175.211.1000110.1K116 Q117 L118N114-K116 PolarHBondContact O-N 3.14Å; N114-Q117 WeakPolarHBondContact O-CA 3.49Å; N114-Q117 WeakPolarHBondContact O-CB 3.41Å; N114-Q117 PolarHBondContact O-N 3.21Å; N114-L118 PolarHBondContact O-N 2.98Å
115S51.3Low53.2Low80 Ų80102.9 Ų102.956%0.55948%0.48SS*.Hα-helixtrans-51.6-30.4172.855.60000112.8L118 L119S115-L118 PolarHBondContact O-N 3.18Å; S115-L119 WeakPolarHBondContact O-CB 3.06Å; S115-L119 PolarHBondContact O-N 2.86Å
116K50.8Low52.8Low154 Ų154103.1 Ų103.167%0.6749%0.485SS*.Hα-helixtrans-66.2-35.8172-67.8-172.6177.3-173.80114.2N114 Y120N114-K116 PolarHBondContact O-N 3.14Å; K116-Y120 WeakPolarHBondContact O-CB 3.48Å; K116-Y120 PolarHBondContact O-N 2.59Å
117Q60.4Low52.7Low85 Ų85110.2 Ų110.240%0.39750%0.499SS..Hα-helixtrans-74.5-37175.2-73.4166.5-72.800110.6A112 F113 N114 Y120 L121A112-Q117 PolarHBondContact O-NE2 2.62Å; A112-Q117 VanDerWaalsContact O-NE2 3.16Å; A112-Q117 PolarHBondContact O-OE1 2.96Å; F113-Q117 VanDerWaalsContact CA-OE1 3.29Å; F113-Q117 HydrophobicContact CD1-CB 4.22Å; N114-Q117 WeakPolarHBondContact O-CA 3.49Å; N114-Q117 WeakPolarHBondContact O-CB 3.41Å; N114-Q117 PolarHBondContact O-N 3.21Å; Q117-Y120 WeakPolarHBondContact O-CB 3.46Å; Q117-Y120 PolarHBondContact O-N 2.7Å; Q117-L121 VanDerWaalsContact O-CG 3.28Å; Q117-L121 WeakPolarHBondContact O-CG 3.4Å; Q117-L121 PolarHBondContact O-N 2.82Å
118L61.6Low52.8Low25 Ų25109.4 Ų109.413%0.13150%0.504CS..Hα-helixtrans-62.2-44.2170.1-65.4174.1000111.4I9 Y11 N114 S115 Y120 L121 E122I9-L118 HydrophobicContact CG2-CD1 4.43Å; Y11-L118 HydrophobicContact CD2-CB 4.46Å; Y11-L118 HydrophobicContact CD2-CD1 4.41Å; Y11-L118 HydrophobicContact CG-CD2 4.19Å; N114-L118 PolarHBondContact O-N 2.98Å; S115-L118 PolarHBondContact O-N 3.18Å; L118-Y120 VanDerWaalsContact C-N 3.31Å; L118-Y120 PolarHBondContact O-N 3.45Å; L118-L121 HydrophobicContact CD2-CD1 4.27Å; L118-L121 WeakPolarHBondContact O-CB 3.49Å; L118-L121 PolarHBondContact O-N 2.94Å; L118-E122 PolarHBondContact O-N 2.92Å
119L56.8Low52.9Low81 Ų81110.5 Ų110.542%0.42450%0.503SS..Hα-helixtrans-66.5-32.9175-137.1101.4000112.7S115 K123S115-L119 WeakPolarHBondContact O-CB 3.06Å; S115-L119 PolarHBondContact O-N 2.86Å; L119-K123 HydrophobicContact CD2-CD 4.27Å; L119-K123 WeakPolarHBondContact O-CB 3.29Å; L119-K123 WeakPolarHBondContact O-CG 3.26Å; L119-K123 PolarHBondContact O-N 3.32Å; L119-K123 VanDerWaalsContact O-N 3.09Å
120Y60.3Low52.9Low111 Ų111106.5 Ų106.544%0.43550%0.498SS..Hα-helixtrans-64.3-44.5172.3174.2-93.4000110.1V78 L82 K116 Q117 L118 E122 K123 Y124V78-Y120 HydrophobicContact CG1-CE1 4.34Å; L82-Y120 HydrophobicContact CD1-CE1 3.87Å; L82-Y120 HydrophobicContact CD2-CE1 4.33Å; K116-Y120 WeakPolarHBondContact O-CB 3.48Å; K116-Y120 PolarHBondContact O-N 2.59Å; Q117-Y120 WeakPolarHBondContact O-CB 3.46Å; Q117-Y120 PolarHBondContact O-N 2.7Å; L118-Y120 VanDerWaalsContact C-N 3.31Å; L118-Y120 PolarHBondContact O-N 3.45Å; Y120-E122 PolarHBondContact O-N 2.85Å; Y120-K123 CarbonylContact O-C 3.59Å; Y120-K123 PolarHBondContact O-N 3.12Å; Y120-Y124 AromaticContact CE1-CD2 3.87Å; Y120-Y124 HydrophobicContact CE1-CD2 3.87Å; Y120-Y124 HydrophobicContact CE1-CG 4.27Å; Y120-Y124 HydrophobicContact CE2-CD2 4.28Å; Y120-Y124 AromaticContact CZ-CD2 3.54Å; Y120-Y124 WeakPolarHBondContact O-CA 3.45Å; Y120-Y124 WeakPolarHBondContact O-CB 3.32Å; Y120-Y124 PolarHBondContact O-N 3.29Å; Y120-Y124 WeakPolarHBondContact OH-CD2 3.3Å; Y120-Y124 WeakPolarHBondContact OH-CE2 3.36Å
121L63.3Low52.9Low29 Ų29108.1 Ų108.115%0.15250%0.504CS..Hα-helixtrans-58.3-46175.2-70.7166.2000111.7L82 L85 F113 Q117 L118 K123 Y124L82-L121 HydrophobicContact CD2-CD2 3.14Å; L82-L121 HydrophobicContact CD2-CG 4.42Å; L85-L121 HydrophobicContact CD1-CD1 4.4Å; L85-L121 HydrophobicContact CD1-CD2 3.99Å; F113-L121 HydrophobicContact CD1-CD1 4.48Å; F113-L121 HydrophobicContact CE1-CD1 4.49Å; Q117-L121 VanDerWaalsContact O-CG 3.28Å; Q117-L121 WeakPolarHBondContact O-CG 3.4Å; Q117-L121 PolarHBondContact O-N 2.82Å; L118-L121 HydrophobicContact CD2-CD1 4.27Å; L118-L121 WeakPolarHBondContact O-CB 3.49Å; L118-L121 PolarHBondContact O-N 2.94Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 PolarHBondContact O-N 3.04Å; L121-Y124 PolarHBondContact O-N 3.15Å
122E63Low52.5Low113 Ų113114.6 Ų114.653%0.52852%0.518SS..Hα-helixtrans-58.9-41.7177.3-169.5-169.4165.900112.3Y11 L118 Y120Y11-E122 VanDerWaalsContact OH-CD 3.24Å; Y11-E122 WeakPolarHBondContact OH-CG 3.46Å; Y11-E122 PolarHBondContact OH-OE2 3.15Å; Y11-E122 VanDerWaalsContact OH-OE2 3.12Å; L118-E122 PolarHBondContact O-N 2.92Å; Y120-E122 PolarHBondContact O-N 2.85Å
123K60.4Low52Low146 Ų146124.4 Ų124.464%0.63555%0.551SS**Hα-helixtrans-89.7-11.9-177-66.1179.3-178.8-176.20113.9L119 Y120 L121 R125L119-K123 HydrophobicContact CD2-CD 4.27Å; L119-K123 WeakPolarHBondContact O-CB 3.29Å; L119-K123 WeakPolarHBondContact O-CG 3.26Å; L119-K123 PolarHBondContact O-N 3.32Å; L119-K123 VanDerWaalsContact O-N 3.09Å; Y120-K123 CarbonylContact O-C 3.59Å; Y120-K123 PolarHBondContact O-N 3.12Å; L121-K123 VanDerWaalsContact C-N 3.32Å; L121-K123 PolarHBondContact O-N 3.04Å; K123-R125 PolarHBondContact O-N 2.9Å
124Y60.1Low51.2Low43 Ų43129.7 Ų129.717%0.16958%0.58CS.*  trans-70.9102.1-173.9179.9-99.5000110.6D79 L82 Y120 L121 P126D79-Y124 PolarHBondContact OD1-OH 2.89Å; L82-Y124 HydrophobicContact CB-CD1 4.19Å; L82-Y124 HydrophobicContact CB-CE1 3.83Å; L82-Y124 HydrophobicContact CD1-CD1 3.64Å; L82-Y124 HydrophobicContact CD1-CD2 3.76Å; L82-Y124 HydrophobicContact CD1-CE1 3.39Å; L82-Y124 HydrophobicContact CD1-CE2 3.5Å; L82-Y124 HydrophobicContact CD1-CG 3.82Å; L82-Y124 HydrophobicContact CD2-CD1 4.03Å; L82-Y124 HydrophobicContact CD2-CE1 4.43Å; L82-Y124 HydrophobicContact CD2-CG 4.3Å; L82-Y124 HydrophobicContact CG-CD1 4.16Å; L82-Y124 HydrophobicContact CG-CE1 4.06Å; Y120-Y124 AromaticContact CE1-CD2 3.87Å; Y120-Y124 HydrophobicContact CE1-CD2 3.87Å; Y120-Y124 HydrophobicContact CE1-CG 4.27Å; Y120-Y124 HydrophobicContact CE2-CD2 4.28Å; Y120-Y124 AromaticContact CZ-CD2 3.54Å; Y120-Y124 WeakPolarHBondContact O-CA 3.45Å; Y120-Y124 WeakPolarHBondContact O-CB 3.32Å; Y120-Y124 PolarHBondContact O-N 3.29Å; Y120-Y124 WeakPolarHBondContact OH-CD2 3.3Å; Y120-Y124 WeakPolarHBondContact OH-CE2 3.36Å; L121-Y124 PolarHBondContact O-N 3.15Å; Y124-P126 HydrophobicContact CE1-CB 3.87Å
125R58.4Low50.4Low223 Ų223133.9 Ų133.984%0.84261%0.608SS**  trans-93.1114.6165-61.1-150.6-179.4176.81.3108.6K123 K127K123-R125 PolarHBondContact O-N 2.9Å; R125-K127 PolarHBondContact O-N 3.42Å
126P46.7Very low50.1Low62 Ų62137.2 Ų137.240%0.40362%0.619SS.*  trans-60.3125.3-179.425.8-32.8000109.4Y124 M128Y124-P126 HydrophobicContact CE1-CB 3.87Å; P126-M128 PolarHBondContact O-N 3.4Å
127K48.9Very low49.8Very low208 Ų208133.3 Ų133.390%0.90462%0.623SS**SBendtrans-75.9-9.1178.1-76.6-173.4177.21790113.4R125R125-K127 PolarHBondContact O-N 3.42Å
128M41.3Very low48.9Very low156 Ų156137.3 Ų137.377%0.76864%0.641SS**  trans-103.386.4-179.2-70.6-87.1-86.300110P126 L130P126-M128 PolarHBondContact O-N 3.4Å; M128-L130 VanDerWaalsContact C-N 3.32Å; M128-L130 PolarHBondContact O-N 3.3Å; M128-L130 VanDerWaalsContact O-N 3.15Å
129R43.8Very low48.2Very low236 Ų236142.1 Ų142.189%0.89168%0.675SS**  trans-69.499.2151.3-162.1179.1-172.8179.91.1104.4R131R129-R131 VanDerWaalsContact C-N 3.29Å; R129-R131 PolarHBondContact O-N 3.47Å
130L39.5Very low47.4Very low147 Ų147143.1 Ų143.177%0.7769%0.688SS**  trans-52.2103.6165-90.8156.7000105.9M128 F132M128-L130 VanDerWaalsContact C-N 3.32Å; M128-L130 PolarHBondContact O-N 3.3Å; M128-L130 VanDerWaalsContact O-N 3.15Å; L130-F132 VanDerWaalsContact C-N 3.31Å; L130-F132 PolarHBondContact O-N 3.45Å
131R41.8Very low46.6Very low230 Ų230145 Ų14587%0.86871%0.711SS**  trans-63.3106.9161.3-76.1-173.4176.8-169.5-0.6103.6R129 R133R129-R131 VanDerWaalsContact C-N 3.29Å; R129-R131 PolarHBondContact O-N 3.47Å; R131-R133 PolarHBondContact O-N 3.37Å
132F36.4Very low45.6Very low187 Ų187156.4 Ų156.482%0.8276%0.763SS**  trans-49.2111.7157-91.4-97.9000105.6L130 D134L130-F132 VanDerWaalsContact C-N 3.31Å; L130-F132 PolarHBondContact O-N 3.45Å; F132-D134 VanDerWaalsContact C-N 3.28Å; F132-D134 PolarHBondContact O-N 3.33Å; F132-D134 VanDerWaalsContact O-N 3.17Å
133R36.5Very low44.7Very low224 Ų224158.6 Ų158.685%0.84578%0.775SS**  trans-77.896.5164.9-161.9177.9-174.3-179.30.1103.3R131 T135R131-R133 PolarHBondContact O-N 3.37Å; R133-T135 VanDerWaalsContact C-N 3.3Å; R133-T135 PolarHBondContact O-N 2.94Å
134D37.5Very low43.9Very low142 Ų142159.2 Ų159.276%0.75978%0.782SS**  trans-52.5101.1163.3-84.9-67.7000107.1F132 N136F132-D134 VanDerWaalsContact C-N 3.28Å; F132-D134 PolarHBondContact O-N 3.33Å; F132-D134 VanDerWaalsContact O-N 3.17Å; D134-N136 PolarHBondContact O-N 3.4Å; D134-N136 VanDerWaalsContact O-N 3.17Å
135T39.6Very low43Very low129 Ų129165.7 Ų165.779%0.79182%0.816SS**  trans-85.570.8163.651.30000106.8R133R133-T135 VanDerWaalsContact C-N 3.3Å; R133-T135 PolarHBondContact O-N 2.94Å
136N44.4Very low42.1Very low151 Ų151162.3 Ų162.381%0.80782%0.815SS**  trans-103106.4165.2-1398.9000107.7D134D134-N136 PolarHBondContact O-N 3.4Å; D134-N136 VanDerWaalsContact O-N 3.17Å
137G46.1Very low41.8Very low72 Ų72168.6 Ų168.674%0.74284%0.841SS**  trans70.4107.9159.600000117.7
138H40.6Very low41.4Very low169 Ų169165.9 Ų165.978%0.78284%0.836SS**  -175.7109.3111.5-159.4-125.3000109.5C140H138-C140 PolarHBondContact CE1-SG 3.29Å
139C45.9Very low41.4Very low125 Ų125166.6 Ų166.685%0.84584%0.841SS**  trans-75.8117164.1-175.90000107.7
140C41.8Very low41.2Very low102 Ų102161.3 Ų161.369%0.68984%0.837SS**  trans-167111159-85.20000107.9H138H138-C140 PolarHBondContact CE1-SG 3.29Å
141V43Very low41.3Very low151 Ų151162.5 Ų162.592%0.91584%0.843SS**  trans-114.6119.4158.8-147.40000104.9
142Q42.2Very low41.3Very low268 Ų268156.4 Ų156.4100%1.25284%0.841SS**  trans-90.60174.8-131.4-175.4-79.100109.5

Retrieved 142 of 142 residues in 1303.6 ms (Link to these results)

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