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Large ribosomal subunit protein uL14m AlphaSync

Component of the mitochondrial ribosome (mitoribosome), a dedicated translation machinery responsible for the synthesis of mitochondrial genome-encoded proteins, including at least some of the essential transmembrane subunits of the mitochondrial respiratory chain. The mitoribosomes are attached to the mitochondrial inner membrane and translation products are cotranslationally integrated into the membrane.

AlphaFold DB , UniProt , Accession O94292, Species SCHPO (Schizosaccharomyces pombe (strain 972 / ATCC 24843), Fission yeast), Gene mrpl38, Length 126 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
1M92.7Very high97.5Very high105 Ų10558.5 Ų58.552%0.51730%0.299SS..  0125.70-164.7177.6-70.300110.6F30 A31 S71M1-F30 HydrophobicContact CG-CB 3.38Å; M1-F30 HydrophobicContact CG-CD1 3.8Å; M1-F30 HydrophobicContact CG-CD2 4.5Å; M1-F30 HydrophobicContact CG-CG 3.67Å; M1-F30 HydrophobicContact SD-CB 3.8Å; M1-F30 HydrophobicContact SD-CD1 3.83Å; M1-F30 HydrophobicContact SD-CD2 3.81Å; M1-F30 HydrophobicContact SD-CE1 4.33Å; M1-F30 HydrophobicContact SD-CE2 4.31Å; M1-F30 HydrophobicContact SD-CG 3.54Å; M1-F30 VanDerWaalsContact SD-CG 3.54Å; M1-A31 CarbonylContact C-O 3.53Å; M1-A31 VanDerWaalsContact CA-O 3.24Å; M1-A31 WeakPolarHBondContact CA-O 3.43Å; M1-S71 WeakPolarHBondContact CB-OG 3.49Å; M1-S71 VanDerWaalsContact N-CB 3.29Å; M1-S71 PolarHBondContact N-OG 2.82Å
2I97.3Very high97.4Very high4 Ų453.7 Ų53.72%0.02127%0.274CS..BIsolated β-bridgetrans-127.7122.7-176.7-52.9-58.8000108.3L8 C21 F30 A31 I66 T69 N86I2-L8 HydrophobicContact CD1-CD2 3.65Å; I2-L8 HydrophobicContact CG1-CD2 3.92Å; I2-L8 HydrophobicContact CG2-CD1 4.34Å; I2-L8 HydrophobicContact CG2-CD2 3.94Å; I2-L8 HydrophobicContact CG2-CG 4.38Å; I2-C21 HydrophobicContact CG2-CB 4.06Å; I2-F30 CarbonylContact O-C 3.49Å; I2-F30 WeakPolarHBondContact O-CA 3.33Å; I2-A31 PolarHBondContact N-O 2.77Å; I2-A31 PolarHBondContact O-N 3.4Å; I2-I66 HydrophobicContact CB-CD1 3.86Å; I2-I66 HydrophobicContact CG1-CD1 3.62Å; I2-I66 HydrophobicContact CG1-CG1 4.3Å; I2-I66 HydrophobicContact CG1-CG2 4.39Å; I2-I66 HydrophobicContact CG2-CD1 4.48Å; I2-T69 HydrophobicContact CD1-CG2 4.38Å; I2-T69 HydrophobicContact CG1-CG2 4.28Å; I2-N86 HydrophobicContact CD1-CB 3.5Å; I2-N86 WeakPolarHBondContact CD1-OD1 3.44Å
3G97Very high97.2Very high18 Ų1852.8 Ų52.819%0.18627%0.27CS..  trans-105.2-177.1173.800000112.4G6 C21G3-G6 PolarHBondContact O-N 3.03Å; G3-G6 VanDerWaalsContact O-N 3.08Å; G3-C21 WeakPolarHBondContact O-CB 3.42Å
4L97.5Very high97.1Very high114 Ų11449.1 Ų49.160%0.59725%0.252SS*.THydrogen-bonded Turntrans-56.1146.3170.4-60.7-178.3000111.1G6 I22L4-G6 PolarHBondContact O-N 2.71Å; L4-G6 VanDerWaalsContact O-N 3.09Å; L4-I22 VanDerWaalsContact CD2-C 3.48Å; L4-I22 VanDerWaalsContact CD2-O 3.28Å; L4-I22 WeakPolarHBondContact CD2-O 3.13Å
5K97.5Very high96.9Very high169 Ų16945.9 Ų45.974%0.73524%0.235SC*.THydrogen-bonded Turntrans61.63.4-171.8-53.6-175.4176.3179.30114.8I7 C21K5-I7 PolarHBondContact O-N 2.93Å; K5-C21 PolarHBondContact N-O 3.44Å
6G98.1Very high96.9Very high21 Ų2143 Ų4322%0.21622%0.221CC..  trans-63.9129175.300000111.3G3 L4 C21G3-G6 PolarHBondContact O-N 3.03Å; G3-G6 VanDerWaalsContact O-N 3.08Å; L4-G6 PolarHBondContact O-N 2.71Å; L4-G6 VanDerWaalsContact O-N 3.09Å; G6-C21 PolarHBondContact O-N 3.28Å
7I98.4Very high96.9Very high85 Ų8542.6 Ų42.644%0.43622%0.221SC..EExtended strand (participates in β ladder)trans-88.3131.8177.5-56.1-60000110.3K5 L18 A19 E20K5-I7 PolarHBondContact O-N 2.93Å; I7-L18 HydrophobicContact CG2-CD2 4.12Å; I7-A19 WeakPolarHBondContact CA-O 3.36Å; I7-E20 HydrophobicContact CD1-CB 3.8Å; I7-E20 HydrophobicContact CD1-CG 3.93Å
8L98.7Very high96.9Very high0 Ų043.7 Ų43.70%023%0.226CC..EExtended strand (participates in β ladder)trans-121134.6-179.5-58.6173.3000109.2I2 L18 A19 V37 V39 N86 C88I2-L8 HydrophobicContact CD1-CD2 3.65Å; I2-L8 HydrophobicContact CG1-CD2 3.92Å; I2-L8 HydrophobicContact CG2-CD1 4.34Å; I2-L8 HydrophobicContact CG2-CD2 3.94Å; I2-L8 HydrophobicContact CG2-CG 4.38Å; L8-L18 WeakPolarHBondContact O-CA 3.46Å; L8-A19 PolarHBondContact N-O 3.2Å; L8-A19 PolarHBondContact O-N 2.92Å; L8-V37 HydrophobicContact CD1-CG2 4.13Å; L8-V39 HydrophobicContact CD1-CG1 4.09Å; L8-N86 HydrophobicContact CD2-CB 3.56Å; L8-C88 HydrophobicContact CB-CB 4.33Å; L8-C88 HydrophobicContact CD1-CB 3.97Å
9K98.5Very high97Very high105 Ų10541.4 Ų41.446%0.45721%0.214SC..EExtended strand (participates in β ladder)trans-73132.2164.5-66.8-166.4-163.8155.50109.2I11 L18 D85 N86 A87 C88K9-I11 HydrophobicContact CB-CG2 4.32Å; K9-L18 HydrophobicContact CG-CD2 4.13Å; K9-D85 VanDerWaalsContact CD-OD2 3.24Å; K9-D85 WeakPolarHBondContact CD-OD2 3.43Å; K9-D85 VanDerWaalsContact CE-OD2 3.29Å; K9-D85 WeakPolarHBondContact CE-OD2 3.44Å; K9-D85 IonicContact NZ-OD2 2.9Å; K9-D85 PolarHBondContact NZ-OD2 2.77Å; K9-N86 PolarHBondContact N-O 2.79Å; K9-A87 HydrophobicContact CB-CB 4.37Å; K9-A87 CarbonylContact O-C 3.58Å; K9-A87 WeakPolarHBondContact O-CA 3.29Å; K9-A87 WeakPolarHBondContact O-CB 3.22Å; K9-C88 PolarHBondContact O-N 3.27Å
10V98.3Very high97.1Very high9 Ų941.2 Ų41.26%0.05521%0.212CC..EExtended strand (participates in β ladder)trans-87.1117.9171-177.90000107.8D12 A16 T17 A19 C88 L90V10-D12 WeakPolarHBondContact CG1-OD1 3.28Å; V10-A16 HydrophobicContact CB-CB 4Å; V10-A16 HydrophobicContact CG1-CB 3.96Å; V10-A16 HydrophobicContact CG2-CB 3.85Å; V10-T17 PolarHBondContact N-O 3.05Å; V10-A19 HydrophobicContact CG2-CB 3.62Å; V10-C88 WeakPolarHBondContact CA-O 3.49Å; V10-L90 HydrophobicContact CG1-CD1 4.43Å; V10-L90 HydrophobicContact CG1-CD2 4.46Å; V10-L90 HydrophobicContact CG1-CG 3.93Å; V10-L90 HydrophobicContact CG2-CD2 4.26Å
11I98.1Very high97.2Very high13 Ų1339.2 Ų39.27%0.06720%0.202CC..  trans-108.824.9-174.264.4162.1000113.3K9 V67 A87 C88 V89 I102 L103 V106K9-I11 HydrophobicContact CB-CG2 4.32Å; I11-V67 HydrophobicContact CD1-CG2 3.45Å; I11-V67 VanDerWaalsContact CD1-CG2 3.45Å; I11-V67 HydrophobicContact CG1-CG2 3.79Å; I11-A87 HydrophobicContact CD1-CB 4.21Å; I11-A87 HydrophobicContact CG1-CB 4.22Å; I11-A87 HydrophobicContact CG2-CB 3.82Å; I11-C88 PolarHBondContact N-O 2.87Å; I11-V89 HydrophobicContact CG1-CG2 4.2Å; I11-I102 HydrophobicContact CD1-CG2 3.91Å; I11-I102 HydrophobicContact CG1-CG2 4.13Å; I11-I102 WeakPolarHBondContact O-CA 3.24Å; I11-I102 WeakPolarHBondContact O-CG2 3.3Å; I11-L103 PolarHBondContact O-N 3.22Å; I11-V106 HydrophobicContact CD1-CG1 4.02Å
12D97Very high97.4Very high1 Ų137.5 Ų37.51%0.00520%0.195CC..BIsolated β-bridgetrans-105.6177.3168.767.930.2000111.7V10 S14 V89 L90 R101 L103V10-D12 WeakPolarHBondContact CG1-OD1 3.28Å; D12-S14 WeakPolarHBondContact OD1-CB 3.15Å; D12-S14 PolarHBondContact OD1-N 2.85Å; D12-S14 PolarHBondContact OD1-OG 2.9Å; D12-V89 HydrophobicContact CB-CG1 4.2Å; D12-L90 PolarHBondContact OD2-N 2.84Å; D12-R101 WeakPolarHBondContact CA-O 3.36Å; D12-L103 WeakPolarHBondContact O-CD1 3.42Å
13N95.1Very high97.5Very high42 Ų4242.5 Ų42.523%0.22521%0.213CC..SBendtrans-94.621.4174.672.1-34.9000114G15 G99 T100 R101 L103N13-G15 PolarHBondContact O-N 2.78Å; N13-G99 WeakPolarHBondContact OD1-CA 3.32Å; N13-T100 PolarHBondContact ND2-OG1 2.76Å; N13-T100 PolarHBondContact OD1-N 3.38Å; N13-R101 HydrophobicContact CB-CG 3.95Å; N13-R101 PolarHBondContact N-O 2.8Å; N13-R101 PolarHBondContact OD1-N 3Å; N13-R101 PolarHBondContact OD1-O 3.47Å; N13-L103 HydrophobicContact CB-CD2 4.44Å
14S95Very high97.5Very high2 Ų242.5 Ų42.51%0.01421%0.21CC..SBendtrans-63.5-25.2178.662.90000113.4D12 A16 N54 K55D12-S14 WeakPolarHBondContact OD1-CB 3.15Å; D12-S14 PolarHBondContact OD1-N 2.85Å; D12-S14 PolarHBondContact OD1-OG 2.9Å; S14-A16 PolarHBondContact OG-N 2.93Å; S14-N54 CarbonylContact O-C 3.57Å; S14-N54 WeakPolarHBondContact O-CA 3.39Å; S14-K55 PolarHBondContact O-N 2.77Å
15G94.4Very high97.2Very high0 Ų038.6 Ų38.60%019%0.191CC..SBendtrans116.1-19.5-174.700000113.2N13 A44 R45 N54N13-G15 PolarHBondContact O-N 2.78Å; G15-A44 CarbonylContact O-C 3.59Å; G15-A44 WeakPolarHBondContact O-CA 2.91Å; G15-R45 WeakPolarHBondContact O-CG 3.29Å; G15-R45 PolarHBondContact O-N 3.31Å; G15-N54 WeakPolarHBondContact CA-OD1 3.4Å
16A96.8Very high96.8Very high0 Ų040.9 Ų40.90%020%0.195CC..EExtended strand (participates in β ladder)trans-74.7154.1172.400000111.3V10 S14 V41 R45 V56 L90V10-A16 HydrophobicContact CB-CB 4Å; V10-A16 HydrophobicContact CG1-CB 3.96Å; V10-A16 HydrophobicContact CG2-CB 3.85Å; S14-A16 PolarHBondContact OG-N 2.93Å; A16-V41 HydrophobicContact CB-CG1 3.84Å; A16-V41 HydrophobicContact CB-CG2 4.12Å; A16-R45 PolarHBondContact O-NH1 3.38Å; A16-V56 HydrophobicContact CB-CG2 3.65Å; A16-L90 HydrophobicContact CB-CD1 3.83Å
17T96.5Very high95.8Very high37 Ų3741.7 Ų41.723%0.22720%0.199CC..EExtended strand (participates in β ladder)trans-129.7-36.3178.559.40000112V10 K43 R45V10-T17 PolarHBondContact N-O 3.05Å; T17-K43 PolarHBondContact N-O 2.99Å; T17-K43 WeakPolarHBondContact OG1-CB 3.46Å; T17-K43 VanDerWaalsContact OG1-CG 3.3Å; T17-K43 WeakPolarHBondContact OG1-CG 3.47Å; T17-K43 PolarHBondContact OG1-O 3.28Å; T17-R45 HydrophobicContact CG2-CG 3.75Å
18L98Very high95.4Very high61 Ų6140.5 Ų40.532%0.31921%0.208SC..EExtended strand (participates in β ladder)trans-133.3138.9174.1-66.6174.4000110.3I7 L8 K9 K42 K43I7-L18 HydrophobicContact CG2-CD2 4.12Å; L8-L18 WeakPolarHBondContact O-CA 3.46Å; K9-L18 HydrophobicContact CG-CD2 4.13Å; L18-K42 HydrophobicContact CB-CB 4.43Å; L18-K42 PolarHBondContact O-N 2.87Å; L18-K43 HydrophobicContact CB-CB 4.02Å; L18-K43 HydrophobicContact CD1-CB 4.33Å; L18-K43 HydrophobicContact CD1-CD 4.42Å; L18-K43 HydrophobicContact CG-CB 4.39Å; L18-K43 PolarHBondContact N-O 3.26Å; L18-K43 PolarHBondContact O-N 3.07Å
19A98.5Very high95.2Very high0 Ų048.8 Ų48.80%024%0.244CC..EExtended strand (participates in β ladder)trans-132.9143-18000000109.8I7 L8 V10 V39 V40I7-A19 WeakPolarHBondContact CA-O 3.36Å; L8-A19 PolarHBondContact N-O 3.2Å; L8-A19 PolarHBondContact O-N 2.92Å; V10-A19 HydrophobicContact CG2-CB 3.62Å; A19-V39 HydrophobicContact CB-CB 3.88Å; A19-V39 HydrophobicContact CB-CG1 4.26Å; A19-V39 HydrophobicContact CB-CG2 3.91Å; A19-V40 CarbonylContact C-O 3.41Å; A19-V40 WeakPolarHBondContact CA-O 3.44Å
20E98.7Very high95.1Very high37 Ų3749 Ų4917%0.17325%0.245CC..EExtended strand (participates in β ladder)trans-107.7128.4173.7-177.4-178.2146.300109.8I7 I22 V39 V40 K42I7-E20 HydrophobicContact CD1-CB 3.8Å; I7-E20 HydrophobicContact CD1-CG 3.93Å; E20-I22 PolarHBondContact O-N 3.34Å; E20-V39 CarbonylContact O-C 3.5Å; E20-V39 WeakPolarHBondContact O-CA 3.32Å; E20-V39 WeakPolarHBondContact O-CB 3.43Å; E20-V40 PolarHBondContact N-O 3.15Å; E20-V40 PolarHBondContact O-N 3.37Å; E20-K42 HydrophobicContact CB-CD 4.19Å; E20-K42 HydrophobicContact CB-CG 3.76Å; E20-K42 WeakPolarHBondContact OE2-CE 3.4Å; E20-K42 IonicContact OE2-NZ 2.63Å; E20-K42 PolarHBondContact OE2-NZ 2.86Å
21C98.6Very high95.1Very high0 Ų048.6 Ų48.60%024%0.243CC..EExtended strand (participates in β ladder)trans-68.2121.4173.8-1780000111I2 G3 K5 G6I2-C21 HydrophobicContact CG2-CB 4.06Å; G3-C21 WeakPolarHBondContact O-CB 3.42Å; K5-C21 PolarHBondContact N-O 3.44Å; G6-C21 PolarHBondContact O-N 3.28Å
22I98.1Very high95Very high70 Ų7049.5 Ų49.536%0.35925%0.25SS..EExtended strand (participates in β ladder)trans-112.8-14.7176.859.7158.3000113.2L4 E20 V38 V40 I61L4-I22 VanDerWaalsContact CD2-C 3.48Å; L4-I22 VanDerWaalsContact CD2-O 3.28Å; L4-I22 WeakPolarHBondContact CD2-O 3.13Å; E20-I22 PolarHBondContact O-N 3.34Å; I22-V38 HydrophobicContact CD1-CG1 3.86Å; I22-V38 HydrophobicContact CG1-CB 4.11Å; I22-V38 HydrophobicContact CG1-CG1 3.92Å; I22-V38 VanDerWaalsContact CG1-O 3.3Å; I22-V38 WeakPolarHBondContact CG1-O 3.42Å; I22-V38 PolarHBondContact N-O 3.24Å; I22-V40 HydrophobicContact CB-CG2 4.49Å; I22-V40 HydrophobicContact CD1-CG2 3.81Å; I22-V40 HydrophobicContact CG1-CG2 4.2Å; I22-V40 HydrophobicContact CG2-CB 4.43Å; I22-V40 HydrophobicContact CG2-CG2 3.57Å; I22-I61 HydrophobicContact CD1-CD1 4.47Å; I22-I61 HydrophobicContact CD1-CG2 4.11Å
23R97.7Very high95Very high108 Ų10849.8 Ų49.841%0.40825%0.251SS..EExtended strand (participates in β ladder)trans-156.7143176-166.8176.467.890.3-3.2111.1V37 V38R23-V37 CarbonylContact O-C 3.6Å; R23-V37 VanDerWaalsContact O-CA 3.29Å; R23-V37 WeakPolarHBondContact O-CA 3.33Å; R23-V37 WeakPolarHBondContact O-CB 3.44Å; R23-V38 HydrophobicContact CB-CB 3.92Å; R23-V38 HydrophobicContact CB-CG2 4.1Å; R23-V38 PolarHBondContact N-O 3.41Å; R23-V38 VanDerWaalsContact NH2-CG2 3.26Å; R23-V38 PolarHBondContact O-N 2.9Å
24V97.7Very high95Very high19 Ų1947.9 Ų47.912%0.11524%0.242CC..EExtended strand (participates in β ladder)trans-99.8125.4167.4174.90000108A27 G28 A31 V37V24-A27 HydrophobicContact CG1-CB 3.7Å; V24-G28 WeakPolarHBondContact CB-O 3.36Å; V24-G28 WeakPolarHBondContact CG1-O 3.36Å; V24-A31 HydrophobicContact CG1-CB 3.95Å; V24-A31 HydrophobicContact CG2-CB 4.03Å; V24-V37 HydrophobicContact CG2-CG1 4.29Å
25V92.6Very high95.1Very high32 Ų3249.2 Ų49.219%0.19425%0.249CC..SBendtrans-80.9-33.2-166.4-173.20000112.9E36 V38V25-E36 HydrophobicContact CB-CB 4.2Å; V25-E36 HydrophobicContact CB-CG 4.17Å; V25-E36 HydrophobicContact CG2-CB 4.29Å; V25-E36 HydrophobicContact CG2-CG 3.85Å; V25-E36 PolarHBondContact N-O 2.83Å; V25-E36 VanDerWaalsContact N-O 3.08Å; V25-V38 HydrophobicContact CG2-CG2 3.94Å
26R88Confident95.3Very high217 Ų21750.2 Ų50.282%0.81925%0.254SS*.SBendtrans-146.8-11.3-176.3-59.9-177.1-177.2150.42116.1G28R26-G28 VanDerWaalsContact C-N 3.31Å; R26-G28 PolarHBondContact O-N 3.37Å
27A77.7Confident95.3Very high37 Ų3750.2 Ų50.231%0.30625%0.254SS..SBendtrans-90.823.4-172.100000114.4V24 F30 A31 D35V24-A27 HydrophobicContact CG1-CB 3.7Å; A27-F30 VanDerWaalsContact CB-O 3.24Å; A27-F30 WeakPolarHBondContact CB-O 3.43Å; A27-A31 HydrophobicContact CB-CB 4.48Å; A27-D35 HydrophobicContact CB-CB 4.24Å
28G89.4Confident95.4Very high60 Ų6049 Ų4962%0.61925%0.246SC*.THydrogen-bonded Turntrans67.2-133.6-174.300000112.1V24 R26V24-G28 WeakPolarHBondContact CB-O 3.36Å; V24-G28 WeakPolarHBondContact CG1-O 3.36Å; R26-G28 VanDerWaalsContact C-N 3.31Å; R26-G28 PolarHBondContact O-N 3.37Å
29K93.8Very high95.4Very high175 Ų17546 Ų4676%0.76123%0.231SC*.THydrogen-bonded Turntrans-74.3-24-175.8-68-177-179.6177.60113.9
30F97.1Very high95.4Very high109 Ų10947.2 Ų47.248%0.47824%0.238SC..  trans-137.6141.9-173.6-58.5-80.9000111.6M1 I2 A27M1-F30 HydrophobicContact CG-CB 3.38Å; M1-F30 HydrophobicContact CG-CD1 3.8Å; M1-F30 HydrophobicContact CG-CD2 4.5Å; M1-F30 HydrophobicContact CG-CG 3.67Å; M1-F30 HydrophobicContact SD-CB 3.8Å; M1-F30 HydrophobicContact SD-CD1 3.83Å; M1-F30 HydrophobicContact SD-CD2 3.81Å; M1-F30 HydrophobicContact SD-CE1 4.33Å; M1-F30 HydrophobicContact SD-CE2 4.31Å; M1-F30 HydrophobicContact SD-CG 3.54Å; M1-F30 VanDerWaalsContact SD-CG 3.54Å; I2-F30 CarbonylContact O-C 3.49Å; I2-F30 WeakPolarHBondContact O-CA 3.33Å; A27-F30 VanDerWaalsContact CB-O 3.24Å; A27-F30 WeakPolarHBondContact CB-O 3.43Å
31A97.3Very high95.4Very high1 Ų145.5 Ų45.51%0.00823%0.23CC..BIsolated β-bridgetrans-104.7151.4176.600000111.7M1 I2 V24 A27 D35 V37 I66M1-A31 CarbonylContact C-O 3.53Å; M1-A31 VanDerWaalsContact CA-O 3.24Å; M1-A31 WeakPolarHBondContact CA-O 3.43Å; I2-A31 PolarHBondContact N-O 2.77Å; I2-A31 PolarHBondContact O-N 3.4Å; V24-A31 HydrophobicContact CG1-CB 3.95Å; V24-A31 HydrophobicContact CG2-CB 4.03Å; A27-A31 HydrophobicContact CB-CB 4.48Å; A31-D35 HydrophobicContact CB-CB 4Å; A31-V37 HydrophobicContact CB-CG1 3.44Å; A31-V37 VanDerWaalsContact CB-CG1 3.44Å; A31-I66 HydrophobicContact CB-CD1 3.3Å
32S96.4Very high95.3Very high32 Ų3249.7 Ų49.722%0.22425%0.248CC..  trans-129.9-170.1177.4-157.20000111.3G34 D35 I66 V73S32-G34 PolarHBondContact O-N 3.43Å; S32-D35 PolarHBondContact N-OD2 2.81Å; S32-D35 WeakPolarHBondContact O-CB 3.34Å; S32-D35 PolarHBondContact O-N 3Å; S32-I66 WeakPolarHBondContact O-CB 3.31Å; S32-V73 WeakPolarHBondContact OG-CG2 3.47Å
33L96.9Very high95.2Very high6 Ų652.5 Ų52.53%0.03126%0.257CS..THydrogen-bonded Turntrans-50.9128.1179.2-63.2175000111.8D35 I66 T69 V73 V81 F83 A107 E109L33-D35 PolarHBondContact O-N 3.45Å; L33-I66 HydrophobicContact CD2-CG2 4.48Å; L33-T69 HydrophobicContact CD2-CG2 3.95Å; L33-T69 HydrophobicContact CG-CG2 4.29Å; L33-V73 HydrophobicContact CD1-CB 4.03Å; L33-V73 HydrophobicContact CD1-CG2 3.7Å; L33-V73 HydrophobicContact CG-CG2 3.97Å; L33-V81 HydrophobicContact CD1-CG1 3.89Å; L33-F83 HydrophobicContact CD1-CE2 4.46Å; L33-F83 HydrophobicContact CD2-CE2 4.28Å; L33-A107 HydrophobicContact CD1-CB 3.69Å; L33-A107 HydrophobicContact CD2-CB 3.78Å; L33-A107 HydrophobicContact CG-CB 4.23Å; L33-E109 HydrophobicContact CB-CB 4.1Å; L33-E109 HydrophobicContact CD1-CB 4.39Å; L33-E109 HydrophobicContact CD1-CG 4.18Å
34G96.6Very high95.1Very high3 Ų347.8 Ų47.83%0.03124%0.242CC..THydrogen-bonded Turntrans76.6-0.9-17900000115.2S32 I66 H115S32-G34 PolarHBondContact O-N 3.43Å; G34-I66 PolarHBondContact N-O 3.43Å; G34-H115 PolarHBondContact O-CD2 3.27Å; G34-H115 PolarHBondContact O-NE2 3.18Å
35D97.1Very high94.7Very high29 Ų2953 Ų5316%0.15526%0.259CS..  trans-84.6148.7175.9-61.1-30.9000111.2A27 A31 S32 L33 I66 K113A27-D35 HydrophobicContact CB-CB 4.24Å; A31-D35 HydrophobicContact CB-CB 4Å; S32-D35 PolarHBondContact N-OD2 2.81Å; S32-D35 WeakPolarHBondContact O-CB 3.34Å; S32-D35 PolarHBondContact O-N 3Å; L33-D35 PolarHBondContact O-N 3.45Å; D35-I66 PolarHBondContact O-N 2.79Å; D35-I66 VanDerWaalsContact O-N 3.11Å; D35-K113 IonicContact OD1-NZ 2.86Å; D35-K113 PolarHBondContact OD1-NZ 2.8Å
36E97.3Very high94.4Very high22 Ų2253.4 Ų53.410%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-87.6133.3179.4-171-165.4156.200111.5V25 H63 A64 I65V25-E36 HydrophobicContact CB-CB 4.2Å; V25-E36 HydrophobicContact CB-CG 4.17Å; V25-E36 HydrophobicContact CG2-CB 4.29Å; V25-E36 HydrophobicContact CG2-CG 3.85Å; V25-E36 PolarHBondContact N-O 2.83Å; V25-E36 VanDerWaalsContact N-O 3.08Å; E36-H63 IonicContact OE1-CE1 3.14Å; E36-H63 PolarHBondContact OE1-CE1 3.17Å; E36-H63 IonicContact OE1-CG 2.79Å; E36-H63 IonicContact OE1-ND1 2.81Å; E36-H63 PolarHBondContact OE1-ND1 3.32Å; E36-A64 WeakPolarHBondContact CA-O 3.24Å; E36-I65 HydrophobicContact CB-CD1 3.81Å; E36-I65 HydrophobicContact CG-CD1 3.98Å
37V98.1Very high93.9Very high0 Ų044.6 Ų44.60%024%0.24CC..EExtended strand (participates in β ladder)trans-129.7155.1174.8-66.10000110.4L8 R23 V24 A31 V39 H63 A64 I66L8-V37 HydrophobicContact CD1-CG2 4.13Å; R23-V37 CarbonylContact O-C 3.6Å; R23-V37 VanDerWaalsContact O-CA 3.29Å; R23-V37 WeakPolarHBondContact O-CA 3.33Å; R23-V37 WeakPolarHBondContact O-CB 3.44Å; V24-V37 HydrophobicContact CG2-CG1 4.29Å; A31-V37 HydrophobicContact CB-CG1 3.44Å; A31-V37 VanDerWaalsContact CB-CG1 3.44Å; V37-V39 HydrophobicContact CG2-CG1 3.82Å; V37-H63 CarbonylContact O-C 3.46Å; V37-H63 WeakPolarHBondContact O-CA 3.24Å; V37-A64 HydrophobicContact CG2-CB 4.16Å; V37-A64 WeakPolarHBondContact CG2-O 3.42Å; V37-A64 PolarHBondContact N-O 2.96Å; V37-A64 PolarHBondContact O-N 2.95Å; V37-I66 HydrophobicContact CG1-CD1 3.87Å; V37-I66 HydrophobicContact CG1-CG1 4.39Å; V37-I66 HydrophobicContact CG2-CG1 4.21Å
38V98.1Very high93.9Very high10 Ų1047.1 Ų47.16%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-96.7134.2164.7-173.30000108.2I22 R23 V25 I61 H62I22-V38 HydrophobicContact CD1-CG1 3.86Å; I22-V38 HydrophobicContact CG1-CB 4.11Å; I22-V38 HydrophobicContact CG1-CG1 3.92Å; I22-V38 VanDerWaalsContact CG1-O 3.3Å; I22-V38 WeakPolarHBondContact CG1-O 3.42Å; I22-V38 PolarHBondContact N-O 3.24Å; R23-V38 HydrophobicContact CB-CB 3.92Å; R23-V38 HydrophobicContact CB-CG2 4.1Å; R23-V38 PolarHBondContact N-O 3.41Å; R23-V38 VanDerWaalsContact NH2-CG2 3.26Å; R23-V38 PolarHBondContact O-N 2.9Å; V25-V38 HydrophobicContact CG2-CG2 3.94Å; V38-I61 HydrophobicContact CG1-CG2 3.47Å; V38-I61 VanDerWaalsContact CG1-CG2 3.47Å; V38-H62 CarbonylContact C-O 3.55Å; V38-H62 WeakPolarHBondContact CA-O 3.37Å
39V98.6Very high93.4Very high0 Ų047.8 Ų47.80%025%0.251CS..EExtended strand (participates in β ladder)trans-128.5151.1-176.9-60.80000112.5L8 A19 E20 V37 I61 H62 A64 L90L8-V39 HydrophobicContact CD1-CG1 4.09Å; A19-V39 HydrophobicContact CB-CB 3.88Å; A19-V39 HydrophobicContact CB-CG1 4.26Å; A19-V39 HydrophobicContact CB-CG2 3.91Å; E20-V39 CarbonylContact O-C 3.5Å; E20-V39 WeakPolarHBondContact O-CA 3.32Å; E20-V39 WeakPolarHBondContact O-CB 3.43Å; V37-V39 HydrophobicContact CG2-CG1 3.82Å; V39-I61 WeakPolarHBondContact O-CA 3.49Å; V39-H62 HydrophobicContact CG2-CB 4.49Å; V39-H62 WeakPolarHBondContact CG2-O 3.5Å; V39-H62 PolarHBondContact N-O 3.28Å; V39-H62 PolarHBondContact O-N 3.31Å; V39-A64 HydrophobicContact CG1-CB 4.07Å; V39-A64 HydrophobicContact CG2-CB 3.87Å; V39-L90 HydrophobicContact CG2-CD2 3.78Å
40V98.2Very high92.6Very high24 Ų2443.4 Ų43.415%0.14524%0.239CC..EExtended strand (participates in β ladder)trans-101.3129.5165.7179.90000108.5A19 E20 I22 K42 D60 I61A19-V40 CarbonylContact C-O 3.41Å; A19-V40 WeakPolarHBondContact CA-O 3.44Å; E20-V40 PolarHBondContact N-O 3.15Å; E20-V40 PolarHBondContact O-N 3.37Å; I22-V40 HydrophobicContact CB-CG2 4.49Å; I22-V40 HydrophobicContact CD1-CG2 3.81Å; I22-V40 HydrophobicContact CG1-CG2 4.2Å; I22-V40 HydrophobicContact CG2-CB 4.43Å; I22-V40 HydrophobicContact CG2-CG2 3.57Å; V40-K42 PolarHBondContact O-N 3.1Å; V40-D60 CarbonylContact C-O 3.54Å; V40-D60 WeakPolarHBondContact CA-O 3.47Å; V40-I61 HydrophobicContact CG2-CG1 4.14Å
41V97.6Very high91.7Very high1 Ų141.2 Ų41.21%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-68.4113.1174.3179.70000109.4A16 A44 K57 G59 D60 L90A16-V41 HydrophobicContact CB-CG1 3.84Å; A16-V41 HydrophobicContact CB-CG2 4.12Å; V41-A44 HydrophobicContact CG1-CB 4.13Å; V41-K57 WeakPolarHBondContact CB-O 3.15Å; V41-G59 PolarHBondContact O-N 2.81Å; V41-D60 HydrophobicContact CG2-CB 4.31Å; V41-D60 PolarHBondContact N-O 2.81Å; V41-L90 HydrophobicContact CG2-CD1 4.41Å
42K97.5Very high90.6Very high89 Ų8946.8 Ų46.839%0.38728%0.28SS..EExtended strand (participates in β ladder)trans-89.9-33.5-179.9-67.3-74.11501520112.3L18 E20 V40L18-K42 HydrophobicContact CB-CB 4.43Å; L18-K42 PolarHBondContact O-N 2.87Å; E20-K42 HydrophobicContact CB-CD 4.19Å; E20-K42 HydrophobicContact CB-CG 3.76Å; E20-K42 WeakPolarHBondContact OE2-CE 3.4Å; E20-K42 IonicContact OE2-NZ 2.63Å; E20-K42 PolarHBondContact OE2-NZ 2.86Å; V40-K42 PolarHBondContact O-N 3.1Å
43K96.1Very high89.6Confident128 Ų12849 Ų4956%0.55730%0.3SS*.EExtended strand (participates in β ladder)trans-140.5126.3176.8-169.8179.2-179.11750110.3T17 L18T17-K43 PolarHBondContact N-O 2.99Å; T17-K43 WeakPolarHBondContact OG1-CB 3.46Å; T17-K43 VanDerWaalsContact OG1-CG 3.3Å; T17-K43 WeakPolarHBondContact OG1-CG 3.47Å; T17-K43 PolarHBondContact OG1-O 3.28Å; L18-K43 HydrophobicContact CB-CB 4.02Å; L18-K43 HydrophobicContact CD1-CB 4.33Å; L18-K43 HydrophobicContact CD1-CD 4.42Å; L18-K43 HydrophobicContact CG-CB 4.39Å; L18-K43 PolarHBondContact N-O 3.26Å; L18-K43 PolarHBondContact O-N 3.07Å
44A94.2Very high88.8Confident9 Ų949.8 Ų49.87%0.07431%0.305CS..EExtended strand (participates in β ladder)trans-119.2152.7172.700000110G15 V41 S46 G47G15-A44 CarbonylContact O-C 3.59Å; G15-A44 WeakPolarHBondContact O-CA 2.91Å; V41-A44 HydrophobicContact CG1-CB 4.13Å; A44-S46 PolarHBondContact O-N 3Å; A44-G47 PolarHBondContact O-N 3.12Å; A44-G47 VanDerWaalsContact O-N 3.14Å
45R90.8Very high88.3Confident130 Ų13055.1 Ų55.149%0.49133%0.327SS..THydrogen-bonded Turntrans-60-33179.8-67.9-177.7-179.889.81.3112.5G15 A16 T17G15-R45 WeakPolarHBondContact O-CG 3.29Å; G15-R45 PolarHBondContact O-N 3.31Å; A16-R45 PolarHBondContact O-NH1 3.38Å; T17-R45 HydrophobicContact CG2-CG 3.75Å
46S85.9Confident88.1Confident39 Ų3953.7 Ų53.727%0.27332%0.32SS..THydrogen-bonded Turntrans-968.4179.8-167.10000113.7A44 S48 S49 N54A44-S46 PolarHBondContact O-N 3Å; S46-S48 PolarHBondContact O-N 3.21Å; S46-S49 WeakPolarHBondContact CB-O 3.24Å; S46-S49 PolarHBondContact O-N 3.39Å; S46-S49 PolarHBondContact OG-O 3.32Å; S46-N54 WeakPolarHBondContact CB-ND2 3.44Å
47G77.6Confident87.9Confident32 Ų3256.8 Ų56.833%0.3333%0.333SS..THydrogen-bonded Turntrans62.8-98.8-175.200000111.9A44 R58A44-G47 PolarHBondContact O-N 3.12Å; A44-G47 VanDerWaalsContact O-N 3.14Å; G47-R58 WeakPolarHBondContact O-CB 3.48Å; G47-R58 PolarHBondContact O-N 3.28Å
48S77.3Confident87.8Confident91 Ų9165 Ų6564%0.63636%0.363SS*.THydrogen-bonded Turntrans-107.5-11.4-172-56.30000114.9S46 K57S46-S48 PolarHBondContact O-N 3.21Å; S48-K57 WeakPolarHBondContact O-CB 3.5Å; S48-K57 WeakPolarHBondContact O-CD 3.37Å
49S78Confident87.6Confident74 Ų7466.6 Ų66.652%0.51738%0.383SS..  trans-106.3129.7-173.3-580000111.7S46S46-S49 WeakPolarHBondContact CB-O 3.24Å; S46-S49 PolarHBondContact O-N 3.39Å; S46-S49 PolarHBondContact OG-O 3.32Å
50V78.1Confident87.5Confident83 Ų8368.3 Ų68.350%0.50339%0.391SS..  trans-75.9131.8167176.50000107.4N54 K57V50-N54 WeakPolarHBondContact CG1-O 3.42Å; V50-K57 HydrophobicContact CG2-CB 4.04Å; V50-K57 HydrophobicContact CG2-CD 4.14Å; V50-K57 HydrophobicContact CG2-CG 3.94Å
51T78.4Confident87.4Confident62 Ų6272.1 Ų72.138%0.3841%0.41SS..BIsolated β-bridgetrans-125.9167.1177.5660000109.2A53 N54T51-A53 PolarHBondContact O-N 2.86Å; T51-N54 PolarHBondContact N-O 2.89Å; T51-N54 VanDerWaalsContact N-O 3.12Å; T51-N54 CarbonylContact O-C 3.31Å; T51-N54 VanDerWaalsContact O-C 3.31Å; T51-N54 PolarHBondContact O-N 3.3Å; T51-N54 PolarHBondContact OG1-N 3.23Å; T51-N54 PolarHBondContact OG1-ND2 3.02Å; T51-N54 VanDerWaalsContact OG1-ND2 3.13Å
52A72.7Confident87.4Confident118 Ų11874 Ų7498%0.97542%0.419SS*.THydrogen-bonded Turntrans-53.1-30175.100000112.7
53A76Confident87.5Confident79 Ų7971.9 Ų71.965%0.65341%0.41SS*.THydrogen-bonded Turntrans-86-18.8176.900000114.5T51T51-A53 PolarHBondContact O-N 2.86Å
54N79.7Confident87.6Confident23 Ų2365.8 Ų65.812%0.12338%0.384CS..BIsolated β-bridgetrans-127.7110.3-176.2-63.4-63000110.2S14 G15 S46 V50 T51 V56S14-N54 CarbonylContact O-C 3.57Å; S14-N54 WeakPolarHBondContact O-CA 3.39Å; G15-N54 WeakPolarHBondContact CA-OD1 3.4Å; S46-N54 WeakPolarHBondContact CB-ND2 3.44Å; V50-N54 WeakPolarHBondContact CG1-O 3.42Å; T51-N54 PolarHBondContact N-O 2.89Å; T51-N54 VanDerWaalsContact N-O 3.12Å; T51-N54 CarbonylContact O-C 3.31Å; T51-N54 VanDerWaalsContact O-C 3.31Å; T51-N54 PolarHBondContact O-N 3.3Å; T51-N54 PolarHBondContact OG1-N 3.23Å; T51-N54 PolarHBondContact OG1-ND2 3.02Å; T51-N54 VanDerWaalsContact OG1-ND2 3.13Å; N54-V56 PolarHBondContact O-N 3.24Å
55K86.6Confident87.8Confident114 Ų11465.3 Ų65.350%0.49638%0.38SS..SBendtrans-76.8-6.1-179.7-61.1-176.1-178.8-177.70113.7S14 L98S14-K55 PolarHBondContact O-N 2.77Å; K55-L98 HydrophobicContact CB-CD2 4.47Å; K55-L98 HydrophobicContact CB-CG 4.46Å; K55-L98 HydrophobicContact CD-CD1 4.23Å; K55-L98 HydrophobicContact CD-CG 4.17Å; K55-L98 WeakPolarHBondContact CD-O 3.44Å; K55-L98 PolarHBondContact NZ-O 2.98Å
56V93.1Very high88.1Confident0 Ų059.1 Ų59.10%036%0.357CS..  trans-138.9148.3-172.1-56.10000111.2A16 N54 L90 L98A16-V56 HydrophobicContact CB-CG2 3.65Å; N54-V56 PolarHBondContact O-N 3.24Å; V56-L90 HydrophobicContact CG1-CD1 3.96Å; V56-L90 HydrophobicContact CG2-CD1 4.46Å; V56-L98 HydrophobicContact CG1-CD2 3.5Å
57K93.6Very high88.7Confident87 Ų8757.3 Ų57.338%0.37834%0.344SS..  trans-122.4167.2173.157.3174.8176.1-172.80110.9V41 S48 V50 G59 D60V41-K57 WeakPolarHBondContact CB-O 3.15Å; S48-K57 WeakPolarHBondContact O-CB 3.5Å; S48-K57 WeakPolarHBondContact O-CD 3.37Å; V50-K57 HydrophobicContact CG2-CB 4.04Å; V50-K57 HydrophobicContact CG2-CD 4.14Å; V50-K57 HydrophobicContact CG2-CG 3.94Å; K57-G59 PolarHBondContact O-N 3.48Å; K57-D60 WeakPolarHBondContact CE-OD1 3.48Å; K57-D60 VanDerWaalsContact CG-CG 3.42Å; K57-D60 WeakPolarHBondContact CG-OD1 3.04Å; K57-D60 WeakPolarHBondContact CG-OD2 3.4Å; K57-D60 PolarHBondContact N-OD2 3.34Å; K57-D60 WeakPolarHBondContact O-CB 3.34Å; K57-D60 PolarHBondContact O-N 3.09Å
58R94.8Very high89.7Confident171 Ų17156.9 Ų56.965%0.64533%0.332SS*.THydrogen-bonded Turntrans-59.3135.3173.3-179.8-179.5179.5-162.1-1.3110.3G47G47-R58 WeakPolarHBondContact O-CB 3.48Å; G47-R58 PolarHBondContact O-N 3.28Å
59G95.2Very high90.7Very high45 Ų4552.6 Ų52.646%0.46430%0.302SS..THydrogen-bonded Turntrans94-14.6-179.900000114.1V41 K57V41-G59 PolarHBondContact O-N 2.81Å; K57-G59 PolarHBondContact O-N 3.48Å
60D95.5Very high91.6Very high35 Ų3554 Ų5419%0.18730%0.299CS..  trans-63.2143.7177.7-70.1-13.2000111.4V40 V41 K57V40-D60 CarbonylContact C-O 3.54Å; V40-D60 WeakPolarHBondContact CA-O 3.47Å; V41-D60 HydrophobicContact CG2-CB 4.31Å; V41-D60 PolarHBondContact N-O 2.81Å; K57-D60 WeakPolarHBondContact CE-OD1 3.48Å; K57-D60 VanDerWaalsContact CG-CG 3.42Å; K57-D60 WeakPolarHBondContact CG-OD1 3.04Å; K57-D60 WeakPolarHBondContact CG-OD2 3.4Å; K57-D60 PolarHBondContact N-OD2 3.34Å; K57-D60 WeakPolarHBondContact O-CB 3.34Å; K57-D60 PolarHBondContact O-N 3.09Å
61I97.3Very high92.5Very high105 Ų10552 Ų5254%0.53829%0.288SS..EExtended strand (participates in β ladder)trans-104.8124.4177.5-57.7-178.2000108.5I22 V38 V39 V40I22-I61 HydrophobicContact CD1-CD1 4.47Å; I22-I61 HydrophobicContact CD1-CG2 4.11Å; V38-I61 HydrophobicContact CG1-CG2 3.47Å; V38-I61 VanDerWaalsContact CG1-CG2 3.47Å; V39-I61 WeakPolarHBondContact O-CA 3.49Å; V40-I61 HydrophobicContact CG2-CG1 4.14Å
62H97.7Very high93.4Very high41 Ų4152.2 Ų52.219%0.1929%0.291CS..EExtended strand (participates in β ladder)trans-134.7158.1-179.8-76.6-81.5000111.6V38 V39 L90V38-H62 CarbonylContact C-O 3.55Å; V38-H62 WeakPolarHBondContact CA-O 3.37Å; V39-H62 HydrophobicContact CG2-CB 4.49Å; V39-H62 WeakPolarHBondContact CG2-O 3.5Å; V39-H62 PolarHBondContact N-O 3.28Å; V39-H62 PolarHBondContact O-N 3.31Å; H62-L90 HydrophobicContact CB-CD2 4.25Å
63H98.1Very high94.5Very high43 Ų4348 Ų4820%0.19925%0.253CS..EExtended strand (participates in β ladder)trans-77150.7161.4-70.7-114.4000108.9E36 V37 V91E36-H63 IonicContact OE1-CE1 3.14Å; E36-H63 PolarHBondContact OE1-CE1 3.17Å; E36-H63 IonicContact OE1-CG 2.79Å; E36-H63 IonicContact OE1-ND1 2.81Å; E36-H63 PolarHBondContact OE1-ND1 3.32Å; V37-H63 CarbonylContact O-C 3.46Å; V37-H63 WeakPolarHBondContact O-CA 3.24Å; H63-V91 HydrophobicContact CB-CG2 3.69Å; H63-V91 PolarHBondContact O-N 3.35Å
64A98.5Very high95.5Very high0 Ų052.5 Ų52.50%025%0.253CS..EExtended strand (participates in β ladder)trans-148.3146.8177.600000111E36 V37 V39 C88 V89 L90E36-A64 WeakPolarHBondContact CA-O 3.24Å; V37-A64 HydrophobicContact CG2-CB 4.16Å; V37-A64 WeakPolarHBondContact CG2-O 3.42Å; V37-A64 PolarHBondContact N-O 2.96Å; V37-A64 PolarHBondContact O-N 2.95Å; V39-A64 HydrophobicContact CG1-CB 4.07Å; V39-A64 HydrophobicContact CG2-CB 3.87Å; A64-C88 HydrophobicContact CB-CB 3.97Å; A64-V89 CarbonylContact C-O 3.56Å; A64-V89 WeakPolarHBondContact CA-O 3.49Å; A64-V89 WeakPolarHBondContact CB-O 3.35Å; A64-L90 HydrophobicContact CB-CD2 3.99Å
65I98.1Very high96.2Very high0 Ų053.5 Ų53.50%026%0.255CS..EExtended strand (participates in β ladder)trans-101.2131.1173-57.7-52.9000108.7E36 V67 C88 V89 V91 L110 H115 I118E36-I65 HydrophobicContact CB-CD1 3.81Å; E36-I65 HydrophobicContact CG-CD1 3.98Å; I65-V67 PolarHBondContact O-N 3.04Å; I65-C88 CarbonylContact O-C 3.54Å; I65-C88 WeakPolarHBondContact O-CA 3.1Å; I65-C88 VanDerWaalsContact O-CB 3.23Å; I65-C88 WeakPolarHBondContact O-CB 3.45Å; I65-V89 PolarHBondContact N-O 2.9Å; I65-V89 PolarHBondContact O-N 2.81Å; I65-V91 HydrophobicContact CD1-CG2 4.34Å; I65-V91 HydrophobicContact CG1-CG1 3.84Å; I65-V91 HydrophobicContact CG1-CG2 4.15Å; I65-L110 HydrophobicContact CG2-CD2 3.9Å; I65-H115 WeakPolarHBondContact CD1-CE1 3.43Å; I65-H115 WeakPolarHBondContact CD1-NE2 3.2Å; I65-I118 HydrophobicContact CB-CD1 3.79Å; I65-I118 HydrophobicContact CG1-CD1 3.68Å; I65-I118 HydrophobicContact CG2-CD1 4.09Å
66I98.2Very high96.6Very high0 Ų055 Ų550%028%0.277CS..EExtended strand (participates in β ladder)trans-74.5124.1175.4-63.9166.1000109.1I2 A31 S32 L33 G34 D35 V37 T69I2-I66 HydrophobicContact CB-CD1 3.86Å; I2-I66 HydrophobicContact CG1-CD1 3.62Å; I2-I66 HydrophobicContact CG1-CG1 4.3Å; I2-I66 HydrophobicContact CG1-CG2 4.39Å; I2-I66 HydrophobicContact CG2-CD1 4.48Å; A31-I66 HydrophobicContact CB-CD1 3.3Å; S32-I66 WeakPolarHBondContact O-CB 3.31Å; L33-I66 HydrophobicContact CD2-CG2 4.48Å; G34-I66 PolarHBondContact N-O 3.43Å; D35-I66 PolarHBondContact O-N 2.79Å; D35-I66 VanDerWaalsContact O-N 3.11Å; V37-I66 HydrophobicContact CG1-CD1 3.87Å; V37-I66 HydrophobicContact CG1-CG1 4.39Å; V37-I66 HydrophobicContact CG2-CG1 4.21Å; I66-T69 HydrophobicContact CG2-CG2 3.53Å
67V98.4Very high96.7Very high0 Ų059.2 Ų59.20%030%0.299CS..EExtended strand (participates in β ladder)trans-115-17-176-59.50000113.3I11 I65 A87 V89 V106 A107 L110 I118I11-V67 HydrophobicContact CD1-CG2 3.45Å; I11-V67 VanDerWaalsContact CD1-CG2 3.45Å; I11-V67 HydrophobicContact CG1-CG2 3.79Å; I65-V67 PolarHBondContact O-N 3.04Å; V67-A87 HydrophobicContact CG2-CB 4.08Å; V67-A87 WeakPolarHBondContact CG2-O 3.47Å; V67-A87 PolarHBondContact N-O 2.79Å; V67-V89 HydrophobicContact CG1-CB 4.29Å; V67-V89 HydrophobicContact CG1-CG2 3.82Å; V67-V89 HydrophobicContact CG2-CG2 4.27Å; V67-V106 HydrophobicContact CB-CB 4.17Å; V67-V106 HydrophobicContact CB-CG1 3.92Å; V67-V106 HydrophobicContact CG1-CG1 4.45Å; V67-V106 HydrophobicContact CG2-CG1 4.17Å; V67-A107 WeakPolarHBondContact O-CB 3.38Å; V67-A107 PolarHBondContact O-N 3.2Å; V67-A107 VanDerWaalsContact O-N 3.1Å; V67-L110 HydrophobicContact CB-CD1 4.05Å; V67-L110 HydrophobicContact CG1-CD1 3.7Å; V67-L110 HydrophobicContact CG1-CD2 4.1Å; V67-I118 HydrophobicContact CG1-CG2 3.99Å
68R98.2Very high96.8Very high24 Ų2456.5 Ų56.59%0.09130%0.296CS..EExtended strand (participates in β ladder)trans-144.2146.6173.3-61.3-162.7-62.5-143.89.4111.4F83 D85 N86 A87 S104 V105R68-F83 HydrophobicContact CB-CB 3.83Å; R68-F83 HydrophobicContact CB-CD1 4.15Å; R68-F83 HydrophobicContact CB-CD2 3.78Å; R68-F83 HydrophobicContact CB-CE2 4.36Å; R68-F83 HydrophobicContact CB-CG 3.64Å; R68-F83 HydrophobicContact CG-CB 4.28Å; R68-F83 HydrophobicContact CG-CD1 3.68Å; R68-F83 HydrophobicContact CG-CD2 4.02Å; R68-F83 HydrophobicContact CG-CE1 3.89Å; R68-F83 HydrophobicContact CG-CE2 4.25Å; R68-F83 HydrophobicContact CG-CG 3.72Å; R68-F83 HydrophobicContact CG-CZ 4.18Å; R68-D85 IonicContact CZ-OD1 3.35Å; R68-D85 IonicContact CZ-OD2 2.73Å; R68-D85 IonicContact NE-OD1 3.73Å; R68-D85 PolarHBondContact NE-OD1 3.28Å; R68-D85 IonicContact NH2-OD1 2.62Å; R68-D85 PolarHBondContact NH2-OD1 3.25Å; R68-D85 IonicContact NH2-OD2 2.78Å; R68-D85 PolarHBondContact NH2-OD2 3.05Å; R68-N86 WeakPolarHBondContact O-CA 3.44Å; R68-A87 HydrophobicContact CB-CB 3.92Å; R68-A87 HydrophobicContact CG-CB 4.23Å; R68-A87 PolarHBondContact N-O 2.82Å; R68-A87 PolarHBondContact O-N 2.89Å; R68-S104 PolarHBondContact NH1-OG 2.82Å; R68-V105 WeakPolarHBondContact CD-O 3.41Å; R68-V105 PolarHBondContact NH1-O 2.74Å
69T98.1Very high96.9Very high0 Ų056.2 Ų56.20%030%0.295CS..  trans-139.5140.5174.157.10000112.5I2 L33 I66 S71 F83 D85 N86I2-T69 HydrophobicContact CD1-CG2 4.38Å; I2-T69 HydrophobicContact CG1-CG2 4.28Å; L33-T69 HydrophobicContact CD2-CG2 3.95Å; L33-T69 HydrophobicContact CG-CG2 4.29Å; I66-T69 HydrophobicContact CG2-CG2 3.53Å; T69-S71 PolarHBondContact OG1-O 3.45Å; T69-F83 PolarHBondContact O-N 2.86Å; T69-D85 CarbonylContact C-O 3.52Å; T69-N86 WeakPolarHBondContact CA-OD1 3.49Å
70K97.9Very high97Very high105 Ų10561.1 Ų61.146%0.45730%0.301SS..SBendtrans-66.4-36.6167.5-74-175.9168.7-176.70112.9R82 F83 D84 D85 N86K70-R82 VanDerWaalsContact O-CD 3.24Å; K70-R82 WeakPolarHBondContact O-CD 3.34Å; K70-R82 WeakPolarHBondContact O-CG 3.43Å; K70-R82 PolarHBondContact O-NE 2.81Å; K70-R82 PolarHBondContact O-NH1 3.02Å; K70-F83 WeakPolarHBondContact CA-O 3.41Å; K70-D84 WeakPolarHBondContact CE-O 3.17Å; K70-D85 PolarHBondContact N-O 3.27Å; K70-N86 PolarHBondContact N-OD1 2.9Å
71S97Very high97Very high40 Ų4059.9 Ų59.928%0.2829%0.294SS..SBendtrans-73.8130.1175.8130.70000108.4M1 T69M1-S71 WeakPolarHBondContact CB-OG 3.49Å; M1-S71 VanDerWaalsContact N-CB 3.29Å; M1-S71 PolarHBondContact N-OG 2.82Å; T69-S71 PolarHBondContact OG1-O 3.45Å
72P97Very high97Very high66 Ų6662.6 Ų62.643%0.42930%0.298SS..  trans-70.1147.5-173.929.6-35.7000111Y80 V81 R82P72-Y80 HydrophobicContact CB-CD1 4.02Å; P72-V81 CarbonylContact C-O 3.58Å; P72-V81 VanDerWaalsContact CA-O 3.3Å; P72-V81 WeakPolarHBondContact CA-O 3.28Å; P72-R82 HydrophobicContact CB-CB 4.26Å
73V95.8Very high97Very high31 Ų3161.4 Ų61.419%0.18829%0.292CS..EExtended strand (participates in β ladder)trans-117.3128.4174.7-179.10000108.4S32 L33 Y80 V81S32-V73 WeakPolarHBondContact OG-CG2 3.47Å; L33-V73 HydrophobicContact CD1-CB 4.03Å; L33-V73 HydrophobicContact CD1-CG2 3.7Å; L33-V73 HydrophobicContact CG-CG2 3.97Å; V73-Y80 WeakPolarHBondContact O-CA 3.49Å; V73-V81 HydrophobicContact CB-CG1 3.99Å; V73-V81 PolarHBondContact N-O 3.08Å; V73-V81 PolarHBondContact O-N 3.09Å
74R96Very high96.9Very high173 Ų17366.6 Ų66.665%0.65332%0.321SS*.EExtended strand (participates in β ladder)trans-78.7129.7177.5-172.8176.6172.8179.1-0.6109.7Y80R74-Y80 HydrophobicContact CB-CD1 4Å; R74-Y80 HydrophobicContact CB-CE1 3.65Å; R74-Y80 HydrophobicContact CG-CE1 4.13Å; R74-Y80 HydrophobicContact CG-CE2 4.48Å
75R95.9Very high96.9Very high43 Ų4367.5 Ų67.516%0.16233%0.326CS..  trans-86.7158.6173.6-71.6-178.4169.7175.2-1.3110.8D77 G78 R79 E109 I126R75-D77 WeakPolarHBondContact CB-OD1 3.23Å; R75-D77 PolarHBondContact O-N 3.08Å; R75-G78 PolarHBondContact O-N 2.73Å; R75-R79 WeakPolarHBondContact CB-O 3.5Å; R75-R79 PolarHBondContact N-O 2.8Å; R75-E109 IonicContact CZ-OE1 3.34Å; R75-E109 IonicContact NE-OE1 2.77Å; R75-E109 PolarHBondContact NE-OE1 3.49Å; R75-E109 IonicContact NH2-OE1 3Å; R75-E109 PolarHBondContact NH2-OE1 3.11Å; R75-E109 IonicContact NH2-OE2 3.38Å; R75-E109 PolarHBondContact NH2-OE2 3Å; R75-I126 VanDerWaalsContact CZ-OXT 3.28Å; R75-I126 PolarHBondContact NH1-OXT 3.22Å; R75-I126 PolarHBondContact NH2-O 2.93Å; R75-I126 PolarHBondContact NH2-OXT 2.88Å
76P94Very high96.9Very high146 Ų14669.1 Ų69.195%0.94834%0.335SS*.THydrogen-bonded Turntrans-57.4-29.8177.9-26.335.4000114G78P76-G78 PolarHBondContact O-N 3.27Å
77D95.7Very high96.9Very high88 Ų8869.1 Ų69.147%0.47134%0.335SS..THydrogen-bonded Turntrans-77.33.5175.968.2-2.1000113.9R75 R79R75-D77 WeakPolarHBondContact CB-OD1 3.23Å; R75-D77 PolarHBondContact O-N 3.08Å; D77-R79 VanDerWaalsContact C-N 3.31Å; D77-R79 PolarHBondContact O-N 2.78Å; D77-R79 WeakPolarHBondContact OD1-CB 3.13Å; D77-R79 PolarHBondContact OD1-N 2.92Å; D77-R79 IonicContact OD1-NE 3.83Å; D77-R79 IonicContact OD2-CZ 3.17Å; D77-R79 IonicContact OD2-NE 2.77Å; D77-R79 PolarHBondContact OD2-NE 3.41Å; D77-R79 IonicContact OD2-NH2 2.71Å; D77-R79 PolarHBondContact OD2-NH2 2.86Å
78G95.8Very high97Very high31 Ų3169.1 Ų69.132%0.3234%0.335SS..SBendtrans86.2-10.2179.200000115.1R75 P76R75-G78 PolarHBondContact O-N 2.73Å; P76-G78 PolarHBondContact O-N 3.27Å
79R96.5Very high97Very high164 Ų16468 Ų6862%0.61933%0.331SS*.  trans-73.7161.7175.9-66.2-173.9-69.9179.6-5.7111.2R75 D77R75-R79 WeakPolarHBondContact CB-O 3.5Å; R75-R79 PolarHBondContact N-O 2.8Å; D77-R79 VanDerWaalsContact C-N 3.31Å; D77-R79 PolarHBondContact O-N 2.78Å; D77-R79 WeakPolarHBondContact OD1-CB 3.13Å; D77-R79 PolarHBondContact OD1-N 2.92Å; D77-R79 IonicContact OD1-NE 3.83Å; D77-R79 IonicContact OD2-CZ 3.17Å; D77-R79 IonicContact OD2-NE 2.77Å; D77-R79 PolarHBondContact OD2-NE 3.41Å; D77-R79 IonicContact OD2-NH2 2.71Å; D77-R79 PolarHBondContact OD2-NH2 2.86Å
80Y96.4Very high97Very high149 Ų14968 Ų6858%0.58433%0.331SS*.EExtended strand (participates in β ladder)trans-112.2138.6174.5-69.9-95.2000110.5P72 V73 R74P72-Y80 HydrophobicContact CB-CD1 4.02Å; V73-Y80 WeakPolarHBondContact O-CA 3.49Å; R74-Y80 HydrophobicContact CB-CD1 4Å; R74-Y80 HydrophobicContact CB-CE1 3.65Å; R74-Y80 HydrophobicContact CG-CE1 4.13Å; R74-Y80 HydrophobicContact CG-CE2 4.48Å
81V96Very high97Very high8 Ų863.1 Ų63.15%0.04831%0.309CS..EExtended strand (participates in β ladder)trans-106.5135.7167.164.10000109.6L33 P72 V73 F83 E109 I126L33-V81 HydrophobicContact CD1-CG1 3.89Å; P72-V81 CarbonylContact C-O 3.58Å; P72-V81 VanDerWaalsContact CA-O 3.3Å; P72-V81 WeakPolarHBondContact CA-O 3.28Å; V73-V81 HydrophobicContact CB-CG1 3.99Å; V73-V81 PolarHBondContact N-O 3.08Å; V73-V81 PolarHBondContact O-N 3.09Å; V81-F83 HydrophobicContact CG2-CE2 3.83Å; V81-F83 HydrophobicContact CG2-CZ 4.11Å; V81-E109 WeakPolarHBondContact CG1-OE1 3.19Å; V81-I126 HydrophobicContact CG2-CG2 4.41Å
82R96.7Very high96.9Very high162 Ų16263.6 Ų63.661%0.61131%0.309SS*.  trans-146.6146.3177.2167.7172.4169.7141.1-6109.2K70 P72K70-R82 VanDerWaalsContact O-CD 3.24Å; K70-R82 WeakPolarHBondContact O-CD 3.34Å; K70-R82 WeakPolarHBondContact O-CG 3.43Å; K70-R82 PolarHBondContact O-NE 2.81Å; K70-R82 PolarHBondContact O-NH1 3.02Å; P72-R82 HydrophobicContact CB-CB 4.26Å
83F97.8Very high96.7Very high16 Ų1668.4 Ų68.47%0.0732%0.323CS..  trans-115.9163.6173.1-61.4-89.3000111L33 R68 T69 K70 V81 D85 V105 A107 I126L33-F83 HydrophobicContact CD1-CE2 4.46Å; L33-F83 HydrophobicContact CD2-CE2 4.28Å; R68-F83 HydrophobicContact CB-CB 3.83Å; R68-F83 HydrophobicContact CB-CD1 4.15Å; R68-F83 HydrophobicContact CB-CD2 3.78Å; R68-F83 HydrophobicContact CB-CE2 4.36Å; R68-F83 HydrophobicContact CB-CG 3.64Å; R68-F83 HydrophobicContact CG-CB 4.28Å; R68-F83 HydrophobicContact CG-CD1 3.68Å; R68-F83 HydrophobicContact CG-CD2 4.02Å; R68-F83 HydrophobicContact CG-CE1 3.89Å; R68-F83 HydrophobicContact CG-CE2 4.25Å; R68-F83 HydrophobicContact CG-CG 3.72Å; R68-F83 HydrophobicContact CG-CZ 4.18Å; T69-F83 PolarHBondContact O-N 2.86Å; K70-F83 WeakPolarHBondContact CA-O 3.41Å; V81-F83 HydrophobicContact CG2-CE2 3.83Å; V81-F83 HydrophobicContact CG2-CZ 4.11Å; F83-D85 VanDerWaalsContact C-N 3.25Å; F83-D85 PolarHBondContact O-N 2.91Å; F83-V105 HydrophobicContact CE1-CG2 4.39Å; F83-A107 HydrophobicContact CE2-CB 3.61Å; F83-A107 HydrophobicContact CZ-CB 3.65Å; F83-I126 HydrophobicContact CE1-CB 4.38Å; F83-I126 HydrophobicContact CE1-CD1 4.19Å; F83-I126 HydrophobicContact CZ-CB 4.4Å
84D97.4Very high96.6Very high152 Ų15273.2 Ų73.281%0.81334%0.344SS*.SBendtrans-74.7-17.8178.4-61.1-34.8000113K70K70-D84 WeakPolarHBondContact CE-O 3.17Å
85D98Very high96.5Very high19 Ų1966.7 Ų66.710%0.10232%0.324CS..SBendtrans-139.117117967.513.7000113.7K9 R68 T69 K70 F83K9-D85 VanDerWaalsContact CD-OD2 3.24Å; K9-D85 WeakPolarHBondContact CD-OD2 3.43Å; K9-D85 VanDerWaalsContact CE-OD2 3.29Å; K9-D85 WeakPolarHBondContact CE-OD2 3.44Å; K9-D85 IonicContact NZ-OD2 2.9Å; K9-D85 PolarHBondContact NZ-OD2 2.77Å; R68-D85 IonicContact CZ-OD1 3.35Å; R68-D85 IonicContact CZ-OD2 2.73Å; R68-D85 IonicContact NE-OD1 3.73Å; R68-D85 PolarHBondContact NE-OD1 3.28Å; R68-D85 IonicContact NH2-OD1 2.62Å; R68-D85 PolarHBondContact NH2-OD1 3.25Å; R68-D85 IonicContact NH2-OD2 2.78Å; R68-D85 PolarHBondContact NH2-OD2 3.05Å; T69-D85 CarbonylContact C-O 3.52Å; K70-D85 PolarHBondContact N-O 3.27Å; F83-D85 VanDerWaalsContact C-N 3.25Å; F83-D85 PolarHBondContact O-N 2.91Å
86N98.5Very high96.5Very high35 Ų3568.7 Ų68.719%0.18734%0.335CS..  trans-98.7126.8169-58.1-41.7000107.9I2 L8 K9 R68 T69 K70I2-N86 HydrophobicContact CD1-CB 3.5Å; I2-N86 WeakPolarHBondContact CD1-OD1 3.44Å; L8-N86 HydrophobicContact CD2-CB 3.56Å; K9-N86 PolarHBondContact N-O 2.79Å; R68-N86 WeakPolarHBondContact O-CA 3.44Å; T69-N86 WeakPolarHBondContact CA-OD1 3.49Å; K70-N86 PolarHBondContact N-OD1 2.9Å
87A98.7Very high96.7Very high0 Ų062.8 Ų62.80%030%0.297CS..EExtended strand (participates in β ladder)trans-138.2153.1-177.800000111.9K9 I11 V67 R68K9-A87 HydrophobicContact CB-CB 4.37Å; K9-A87 CarbonylContact O-C 3.58Å; K9-A87 WeakPolarHBondContact O-CA 3.29Å; K9-A87 WeakPolarHBondContact O-CB 3.22Å; I11-A87 HydrophobicContact CD1-CB 4.21Å; I11-A87 HydrophobicContact CG1-CB 4.22Å; I11-A87 HydrophobicContact CG2-CB 3.82Å; V67-A87 HydrophobicContact CG2-CB 4.08Å; V67-A87 WeakPolarHBondContact CG2-O 3.47Å; V67-A87 PolarHBondContact N-O 2.79Å; R68-A87 HydrophobicContact CB-CB 3.92Å; R68-A87 HydrophobicContact CG-CB 4.23Å; R68-A87 PolarHBondContact N-O 2.82Å; R68-A87 PolarHBondContact O-N 2.89Å
88C98.6Very high96.6Very high0 Ų060.4 Ų60.40%028%0.284CS..EExtended strand (participates in β ladder)trans-137.5166.9175.966.10000112.5L8 K9 V10 I11 A64 I65L8-C88 HydrophobicContact CB-CB 4.33Å; L8-C88 HydrophobicContact CD1-CB 3.97Å; K9-C88 PolarHBondContact O-N 3.27Å; V10-C88 WeakPolarHBondContact CA-O 3.49Å; I11-C88 PolarHBondContact N-O 2.87Å; A64-C88 HydrophobicContact CB-CB 3.97Å; I65-C88 CarbonylContact O-C 3.54Å; I65-C88 WeakPolarHBondContact O-CA 3.1Å; I65-C88 VanDerWaalsContact O-CB 3.23Å; I65-C88 WeakPolarHBondContact O-CB 3.45Å
89V98.6Very high96.6Very high1 Ų159.2 Ų59.21%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-119.4133.8169.7170.60000107.4I11 D12 A64 I65 V67 P97 I102 I118I11-V89 HydrophobicContact CG1-CG2 4.2Å; D12-V89 HydrophobicContact CB-CG1 4.2Å; A64-V89 CarbonylContact C-O 3.56Å; A64-V89 WeakPolarHBondContact CA-O 3.49Å; A64-V89 WeakPolarHBondContact CB-O 3.35Å; I65-V89 PolarHBondContact N-O 2.9Å; I65-V89 PolarHBondContact O-N 2.81Å; V67-V89 HydrophobicContact CG1-CB 4.29Å; V67-V89 HydrophobicContact CG1-CG2 3.82Å; V67-V89 HydrophobicContact CG2-CG2 4.27Å; V89-P97 HydrophobicContact CG1-CB 4.48Å; V89-I102 HydrophobicContact CG2-CD1 3.9Å; V89-I102 HydrophobicContact CG2-CG1 3.94Å; V89-I102 HydrophobicContact CG2-CG2 4.48Å; V89-I118 HydrophobicContact CG2-CG2 4.27Å
90L98.4Very high96.4Very high0 Ų055.9 Ų55.90%027%0.269CS..EExtended strand (participates in β ladder)trans-75140.2178.3-58.8-171.4000110V10 D12 A16 V39 V41 V56 H62 A64 L98V10-L90 HydrophobicContact CG1-CD1 4.43Å; V10-L90 HydrophobicContact CG1-CD2 4.46Å; V10-L90 HydrophobicContact CG1-CG 3.93Å; V10-L90 HydrophobicContact CG2-CD2 4.26Å; D12-L90 PolarHBondContact OD2-N 2.84Å; A16-L90 HydrophobicContact CB-CD1 3.83Å; V39-L90 HydrophobicContact CG2-CD2 3.78Å; V41-L90 HydrophobicContact CG2-CD1 4.41Å; V56-L90 HydrophobicContact CG1-CD1 3.96Å; V56-L90 HydrophobicContact CG2-CD1 4.46Å; H62-L90 HydrophobicContact CB-CD2 4.25Å; A64-L90 HydrophobicContact CB-CD2 3.99Å; L90-L98 HydrophobicContact CB-CB 4.15Å; L90-L98 HydrophobicContact CB-CD2 4.25Å; L90-L98 HydrophobicContact CD1-CD2 4.42Å; L90-L98 PolarHBondContact O-N 3.41Å
91V97.9Very high96.4Very high1 Ų156 Ų561%0.00627%0.269CS..EExtended strand (participates in β ladder)trans-133.6159.8-179.8-61.50000111.7H63 I65 E96 I118H63-V91 HydrophobicContact CB-CG2 3.69Å; H63-V91 PolarHBondContact O-N 3.35Å; I65-V91 HydrophobicContact CD1-CG2 4.34Å; I65-V91 HydrophobicContact CG1-CG1 3.84Å; I65-V91 HydrophobicContact CG1-CG2 4.15Å; V91-E96 CarbonylContact C-O 3.54Å; V91-E96 WeakPolarHBondContact CA-O 3.43Å; V91-E96 WeakPolarHBondContact CB-O 3.12Å; V91-I118 HydrophobicContact CG1-CD1 4.09Å
92N95.4Very high96.4Very high51 Ų5156.1 Ų56.127%0.27327%0.269SS..  trans-78.3-174.3167.366.56.1000111.1E94 C95 E96N92-E94 PolarHBondContact ND2-OE2 2.87Å; N92-E94 VanDerWaalsContact ND2-OE2 3.16Å; N92-E94 PolarHBondContact O-N 2.62Å; N92-E94 WeakPolarHBondContact OD1-CA 3.12Å; N92-E94 PolarHBondContact OD1-N 3.38Å; N92-E94 VanDerWaalsContact OD1-N 3.16Å; N92-E94 PolarHBondContact OD1-OE2 3.35Å; N92-C95 PolarHBondContact O-N 2.8Å; N92-C95 VanDerWaalsContact O-N 3.12Å; N92-C95 PolarHBondContact OD1-N 3.17Å; N92-C95 VanDerWaalsContact OD1-N 3.17Å; N92-E96 PolarHBondContact N-O 3.16Å; N92-E96 WeakPolarHBondContact OD1-CA 3.32Å; N92-E96 WeakPolarHBondContact OD1-CB 3.49Å; N92-E96 PolarHBondContact OD1-N 3.39Å; N92-E96 PolarHBondContact OD1-O 3.36Å
93K92.3Very high96.4Very high167 Ų16752.1 Ų52.173%0.72626%0.259SS*.THydrogen-bonded Turntrans-68.2-24.7-179.1-67-179.8-180177.40112.2C95K93-C95 PolarHBondContact O-N 3.12Å
94E93.5Very high96.4Very high132 Ų13253.2 Ų53.262%0.61727%0.269SS*.THydrogen-bonded Turntrans-837.3175.9-58.169.8-149.700112.3N92 E96N92-E94 PolarHBondContact ND2-OE2 2.87Å; N92-E94 VanDerWaalsContact ND2-OE2 3.16Å; N92-E94 PolarHBondContact O-N 2.62Å; N92-E94 WeakPolarHBondContact OD1-CA 3.12Å; N92-E94 PolarHBondContact OD1-N 3.38Å; N92-E94 VanDerWaalsContact OD1-N 3.16Å; N92-E94 PolarHBondContact OD1-OE2 3.35Å; E94-E96 HydrophobicContact CB-CG 4.3Å; E94-E96 PolarHBondContact O-N 2.98Å
95C94.4Very high96.4Very high35 Ų3547.9 Ų47.924%0.23624%0.242CC..SBendtrans60.523.5-177.6-66.50000114.6N92 K93N92-C95 PolarHBondContact O-N 2.8Å; N92-C95 VanDerWaalsContact O-N 3.12Å; N92-C95 PolarHBondContact OD1-N 3.17Å; N92-C95 VanDerWaalsContact OD1-N 3.17Å; K93-C95 PolarHBondContact O-N 3.12Å
96E96.2Very high96.4Very high85 Ų8547 Ų4740%0.39724%0.237SC..  trans-87.8143172.3-56.7-161.4102.400111.9V91 N92 E94 L98 K117V91-E96 CarbonylContact C-O 3.54Å; V91-E96 WeakPolarHBondContact CA-O 3.43Å; V91-E96 WeakPolarHBondContact CB-O 3.12Å; N92-E96 PolarHBondContact N-O 3.16Å; N92-E96 WeakPolarHBondContact OD1-CA 3.32Å; N92-E96 WeakPolarHBondContact OD1-CB 3.49Å; N92-E96 PolarHBondContact OD1-N 3.39Å; N92-E96 PolarHBondContact OD1-O 3.36Å; E94-E96 HydrophobicContact CB-CG 4.3Å; E94-E96 PolarHBondContact O-N 2.98Å; E96-L98 PolarHBondContact O-N 3.16Å; E96-K117 IonicContact OE1-NZ 3.93Å; E96-K117 PolarHBondContact OE1-NZ 2.84Å
97P97.2Very high96.4Very high23 Ų2345.3 Ų45.315%0.14923%0.228CC..BIsolated β-bridgetrans-56.2129.3178.7-19.228.2000112.7V89 K117 I118 L121V89-P97 HydrophobicContact CG1-CB 4.48Å; P97-K117 HydrophobicContact CG-CG 4.21Å; P97-I118 HydrophobicContact CG-CG1 3.82Å; P97-L121 HydrophobicContact CB-CD1 3.97Å; P97-L121 HydrophobicContact CG-CD1 3.79Å
98L95.4Very high96.2Very high38 Ų3848.4 Ų48.420%0.19925%0.245CC..SBendtrans-75.1-39.8172.9-173.667.5000111.2K55 V56 L90 E96K55-L98 HydrophobicContact CB-CD2 4.47Å; K55-L98 HydrophobicContact CB-CG 4.46Å; K55-L98 HydrophobicContact CD-CD1 4.23Å; K55-L98 HydrophobicContact CD-CG 4.17Å; K55-L98 WeakPolarHBondContact CD-O 3.44Å; K55-L98 PolarHBondContact NZ-O 2.98Å; V56-L98 HydrophobicContact CG1-CD2 3.5Å; L90-L98 HydrophobicContact CB-CB 4.15Å; L90-L98 HydrophobicContact CB-CD2 4.25Å; L90-L98 HydrophobicContact CD1-CD2 4.42Å; L90-L98 PolarHBondContact O-N 3.41Å; E96-L98 PolarHBondContact O-N 3.16Å
99G94.3Very high96.1Very high6 Ų649.6 Ų49.66%0.06225%0.25CS..SBendtrans-73.7157.9170.600000112.3N13N13-G99 WeakPolarHBondContact OD1-CA 3.32Å
100T93.9Very high96Very high93 Ų9349.6 Ų49.657%0.57125%0.25SS*.SBendtrans-93.4-14.4177.3590000113.5N13 L121N13-T100 PolarHBondContact ND2-OG1 2.76Å; N13-T100 PolarHBondContact OD1-N 3.38Å; T100-L121 WeakPolarHBondContact O-CD2 3.08Å
101R94.9Very high95.9Very high153 Ų15354.7 Ų54.758%0.57727%0.27SS*.  trans-148.7152.7175.666.4-179.9-175.4-174.81.1112D12 N13 L103D12-R101 WeakPolarHBondContact CA-O 3.36Å; N13-R101 HydrophobicContact CB-CG 3.95Å; N13-R101 PolarHBondContact N-O 2.8Å; N13-R101 PolarHBondContact OD1-N 3Å; N13-R101 PolarHBondContact OD1-O 3.47Å; R101-L103 HydrophobicContact CG-CD2 4.2Å
102I97.4Very high95.6Very high9 Ų959.6 Ų59.65%0.04630%0.3CS..BIsolated β-bridgetrans-102.2133.9172.4-60.3170.7000108.5I11 V89 S104 V106 I118 L121 A122 P123I11-I102 HydrophobicContact CD1-CG2 3.91Å; I11-I102 HydrophobicContact CG1-CG2 4.13Å; I11-I102 WeakPolarHBondContact O-CA 3.24Å; I11-I102 WeakPolarHBondContact O-CG2 3.3Å; V89-I102 HydrophobicContact CG2-CD1 3.9Å; V89-I102 HydrophobicContact CG2-CG1 3.94Å; V89-I102 HydrophobicContact CG2-CG2 4.48Å; I102-S104 WeakPolarHBondContact CG2-O 3.3Å; I102-V106 HydrophobicContact CD1-CG1 4.49Å; I102-V106 HydrophobicContact CG2-CG1 3.85Å; I102-I118 HydrophobicContact CD1-CB 4.31Å; I102-I118 HydrophobicContact CD1-CG2 3.41Å; I102-I118 VanDerWaalsContact CD1-CG2 3.41Å; I102-I118 WeakPolarHBondContact CD1-O 3.3Å; I102-L121 HydrophobicContact CD1-CB 4Å; I102-L121 HydrophobicContact CG1-CB 4.03Å; I102-L121 PolarHBondContact N-O 3.14Å; I102-A122 HydrophobicContact CB-CB 4.21Å; I102-A122 HydrophobicContact CD1-CB 4.25Å; I102-A122 HydrophobicContact CG2-CB 4.16Å; I102-P123 WeakPolarHBondContact O-CD 3.45Å
103L96.6Very high95.5Very high78 Ų7861.7 Ų61.741%0.40831%0.306SS..  trans-88.5-6.3-167.1-57.1177.7000113.9I11 D12 N13 R101I11-L103 PolarHBondContact O-N 3.22Å; D12-L103 WeakPolarHBondContact O-CD1 3.42Å; N13-L103 HydrophobicContact CB-CD2 4.44Å; R101-L103 HydrophobicContact CG-CD2 4.2Å
104S96.7Very high95.6Very high40 Ų4061.8 Ų61.828%0.2831%0.309SS..SBendtrans-155.5173.3-172.1-163.80000111.7R68 I102 P123R68-S104 PolarHBondContact NH1-OG 2.82Å; I102-S104 WeakPolarHBondContact CG2-O 3.3Å; S104-P123 WeakPolarHBondContact O-CD 3.34Å
105V97.8Very high95.7Very high40 Ų4056.8 Ų56.824%0.24229%0.286CS..  trans-62.2147.7179.1-540000111.8R68 F83 R124 I126R68-V105 WeakPolarHBondContact CD-O 3.41Å; R68-V105 PolarHBondContact NH1-O 2.74Å; F83-V105 HydrophobicContact CE1-CG2 4.39Å; V105-R124 WeakPolarHBondContact CA-O 3.19Å; V105-R124 HydrophobicContact CG1-CB 4.07Å; V105-I126 HydrophobicContact CB-CD1 4.03Å; V105-I126 HydrophobicContact CB-CG1 4.37Å; V105-I126 HydrophobicContact CG1-CD1 4.47Å; V105-I126 HydrophobicContact CG2-CD1 3.72Å
106V98.2Very high95.7Very high0 Ų058.6 Ų58.60%030%0.295CS..BIsolated β-bridgetrans-130163.9178.9-58.90000111.3I11 V67 I102 L110 A122 R124 T125 I126I11-V106 HydrophobicContact CD1-CG1 4.02Å; V67-V106 HydrophobicContact CB-CB 4.17Å; V67-V106 HydrophobicContact CB-CG1 3.92Å; V67-V106 HydrophobicContact CG1-CG1 4.45Å; V67-V106 HydrophobicContact CG2-CG1 4.17Å; I102-V106 HydrophobicContact CD1-CG1 4.49Å; I102-V106 HydrophobicContact CG2-CG1 3.85Å; V106-L110 HydrophobicContact CB-CD1 3.76Å; V106-L110 HydrophobicContact CG1-CD1 4.39Å; V106-L110 HydrophobicContact CG2-CD1 3.74Å; V106-A122 HydrophobicContact CB-CB 4.3Å; V106-A122 HydrophobicContact CG1-CB 3.88Å; V106-A122 HydrophobicContact CG2-CB 3.49Å; V106-A122 VanDerWaalsContact CG2-CB 3.49Å; V106-R124 PolarHBondContact N-O 3.45Å; V106-R124 VanDerWaalsContact N-O 3.15Å; V106-T125 HydrophobicContact CG2-CG2 3.93Å; V106-T125 CarbonylContact O-C 3.54Å; V106-T125 VanDerWaalsContact O-CA 3.28Å; V106-T125 WeakPolarHBondContact O-CA 3.07Å; V106-I126 PolarHBondContact O-N 3.13Å
107A97.5Very high95.8Very high0 Ų059.8 Ų59.80%030%0.299CS..  trans-74140.7177.700000112.5L33 V67 F83 E109 L110L33-A107 HydrophobicContact CD1-CB 3.69Å; L33-A107 HydrophobicContact CD2-CB 3.78Å; L33-A107 HydrophobicContact CG-CB 4.23Å; V67-A107 WeakPolarHBondContact O-CB 3.38Å; V67-A107 PolarHBondContact O-N 3.2Å; V67-A107 VanDerWaalsContact O-N 3.1Å; F83-A107 HydrophobicContact CE2-CB 3.61Å; F83-A107 HydrophobicContact CZ-CB 3.65Å; A107-E109 WeakPolarHBondContact CB-OE2 3.49Å; A107-E109 PolarHBondContact O-N 2.84Å; A107-L110 WeakPolarHBondContact O-CG 2.98Å; A107-L110 PolarHBondContact O-N 2.89Å
108N95.9Very high95.8Very high64 Ų6458.8 Ų58.834%0.34229%0.293SS..THydrogen-bonded Turntrans-65.1-21.4177.2-169.549.3000112.8L110 R111 I126N108-L110 PolarHBondContact O-N 3.19Å; N108-R111 PolarHBondContact O-N 2.89Å; N108-I126 VanDerWaalsContact CB-O 3.32Å; N108-I126 WeakPolarHBondContact CB-O 3.32Å; N108-I126 PolarHBondContact N-O 2.7Å
109E96Very high95.8Very high26 Ų2657.1 Ų57.112%0.12128%0.284CS..Hα-helixtrans-57.8-17.9175.2-68.270.7-160.800112.9L33 R75 V81 A107 R111 T112 K113L33-E109 HydrophobicContact CB-CB 4.1Å; L33-E109 HydrophobicContact CD1-CB 4.39Å; L33-E109 HydrophobicContact CD1-CG 4.18Å; R75-E109 IonicContact CZ-OE1 3.34Å; R75-E109 IonicContact NE-OE1 2.77Å; R75-E109 PolarHBondContact NE-OE1 3.49Å; R75-E109 IonicContact NH2-OE1 3Å; R75-E109 PolarHBondContact NH2-OE1 3.11Å; R75-E109 IonicContact NH2-OE2 3.38Å; R75-E109 PolarHBondContact NH2-OE2 3Å; V81-E109 WeakPolarHBondContact CG1-OE1 3.19Å; A107-E109 WeakPolarHBondContact CB-OE2 3.49Å; A107-E109 PolarHBondContact O-N 2.84Å; E109-R111 VanDerWaalsContact C-N 3.25Å; E109-R111 PolarHBondContact O-N 3.39Å; E109-T112 PolarHBondContact O-N 2.86Å; E109-T112 PolarHBondContact O-OG1 2.88Å; E109-K113 WeakPolarHBondContact O-CB 3.5Å; E109-K113 WeakPolarHBondContact O-CG 3.36Å; E109-K113 PolarHBondContact O-N 2.87Å; E109-K113 VanDerWaalsContact O-N 3.07Å
110L96.6Very high95.9Very high0 Ų060.4 Ų60.40%031%0.307CS..Hα-helixtrans-61.4-34.1172-64.9-179000112.6I65 V67 V106 A107 N108 K113 H114 H115 I118 A119I65-L110 HydrophobicContact CG2-CD2 3.9Å; V67-L110 HydrophobicContact CB-CD1 4.05Å; V67-L110 HydrophobicContact CG1-CD1 3.7Å; V67-L110 HydrophobicContact CG1-CD2 4.1Å; V106-L110 HydrophobicContact CB-CD1 3.76Å; V106-L110 HydrophobicContact CG1-CD1 4.39Å; V106-L110 HydrophobicContact CG2-CD1 3.74Å; A107-L110 WeakPolarHBondContact O-CG 2.98Å; A107-L110 PolarHBondContact O-N 2.89Å; N108-L110 PolarHBondContact O-N 3.19Å; L110-K113 CarbonylContact O-C 3.53Å; L110-K113 PolarHBondContact O-N 2.56Å; L110-H114 PolarHBondContact O-N 2.93Å; L110-H115 HydrophobicContact CB-CB 4.17Å; L110-H115 HydrophobicContact CD2-CB 4.41Å; L110-H115 CarbonylContact O-C 3.56Å; L110-H115 WeakPolarHBondContact O-CA 3.15Å; L110-H115 WeakPolarHBondContact O-CB 3.47Å; L110-H115 PolarHBondContact O-N 3.26Å; L110-I118 HydrophobicContact CD1-CB 4.45Å; L110-I118 HydrophobicContact CD1-CG2 3.7Å; L110-A119 HydrophobicContact CB-CB 4.26Å
111R95.3Very high96.1Very high108 Ų10858.8 Ų58.841%0.40829%0.294SS..Hα-helixtrans-69.9-41178.1-66.2-177178.4-82.5-2.4111.5N108 E109 K113 H114 A119N108-R111 PolarHBondContact O-N 2.89Å; E109-R111 VanDerWaalsContact C-N 3.25Å; E109-R111 PolarHBondContact O-N 3.39Å; R111-K113 PolarHBondContact O-N 3.41Å; R111-H114 PolarHBondContact O-N 2.82Å; R111-A119 HydrophobicContact CG-CB 3.77Å
112T92.7Very high96.2Very high104 Ų10452.1 Ų52.164%0.63827%0.272SS*.Hα-helixtrans-69.8-23177.859.70000112.2E109E109-T112 PolarHBondContact O-N 2.86Å; E109-T112 PolarHBondContact O-OG1 2.88Å
113K92.6Very high96.2Very high94 Ų9456.1 Ų56.141%0.40930%0.299SS..THydrogen-bonded Turntrans-94.920.3174.8-68.8-81.6-172.2152.20113.8D35 E109 L110 R111 H115D35-K113 IonicContact OD1-NZ 2.86Å; D35-K113 PolarHBondContact OD1-NZ 2.8Å; E109-K113 WeakPolarHBondContact O-CB 3.5Å; E109-K113 WeakPolarHBondContact O-CG 3.36Å; E109-K113 PolarHBondContact O-N 2.87Å; E109-K113 VanDerWaalsContact O-N 3.07Å; L110-K113 CarbonylContact O-C 3.53Å; L110-K113 PolarHBondContact O-N 2.56Å; R111-K113 PolarHBondContact O-N 3.41Å; K113-H115 PolarHBondContact O-CD2 2.8Å; K113-H115 VanDerWaalsContact O-CD2 3.32Å; K113-H115 PolarHBondContact O-N 2.85Å; K113-H115 VanDerWaalsContact O-N 3.17Å
114H93.6Very high96.2Very high170 Ų17060.9 Ų60.979%0.78731%0.311SS*.THydrogen-bonded Turntrans62.617177.3-49.8-72.3000115.9L110 R111 T116L110-H114 PolarHBondContact O-N 2.93Å; R111-H114 PolarHBondContact O-N 2.82Å; H114-T116 VanDerWaalsContact C-N 3.29Å; H114-T116 PolarHBondContact O-N 2.84Å
115H96.2Very high96.2Very high27 Ų2761 Ų6113%0.12531%0.31CS..  trans-94.844.4173.7-66-59.6000112G34 I65 L110 K113 K117 I118 A119G34-H115 PolarHBondContact O-CD2 3.27Å; G34-H115 PolarHBondContact O-NE2 3.18Å; I65-H115 WeakPolarHBondContact CD1-CE1 3.43Å; I65-H115 WeakPolarHBondContact CD1-NE2 3.2Å; L110-H115 HydrophobicContact CB-CB 4.17Å; L110-H115 HydrophobicContact CD2-CB 4.41Å; L110-H115 CarbonylContact O-C 3.56Å; L110-H115 WeakPolarHBondContact O-CA 3.15Å; L110-H115 WeakPolarHBondContact O-CB 3.47Å; L110-H115 PolarHBondContact O-N 3.26Å; K113-H115 PolarHBondContact O-CD2 2.8Å; K113-H115 VanDerWaalsContact O-CD2 3.32Å; K113-H115 PolarHBondContact O-N 2.85Å; K113-H115 VanDerWaalsContact O-N 3.17Å; H115-K117 VanDerWaalsContact C-N 3.28Å; H115-K117 PolarHBondContact O-N 2.63Å; H115-I118 HydrophobicContact CB-CB 4.23Å; H115-I118 HydrophobicContact CB-CD1 4.07Å; H115-I118 HydrophobicContact CB-CG1 4.38Å; H115-I118 WeakPolarHBondContact O-CB 3.48Å; H115-I118 PolarHBondContact O-N 3.33Å; H115-I118 VanDerWaalsContact O-N 3.09Å; H115-A119 PolarHBondContact O-N 2.83Å
116T95.7Very high96Very high72 Ų7263.4 Ų63.444%0.44232%0.321SS..Hα-helixtrans-57.9-38.9-177.4-53.20000112.4H114 I118 A119 S120H114-T116 VanDerWaalsContact C-N 3.29Å; H114-T116 PolarHBondContact O-N 2.84Å; T116-I118 PolarHBondContact O-N 2.9Å; T116-A119 PolarHBondContact O-N 2.8Å; T116-S120 PolarHBondContact O-N 3.31Å; T116-S120 PolarHBondContact O-OG 3.12Å
117K96.5Very high95.9Very high110 Ų11066.6 Ų66.648%0.47834%0.337SS..Hα-helixtrans-63.2-38.6176.9-173.7171.3174.8175.50112.3E96 P97 H115 S120 L121E96-K117 IonicContact OE1-NZ 3.93Å; E96-K117 PolarHBondContact OE1-NZ 2.84Å; P97-K117 HydrophobicContact CG-CG 4.21Å; H115-K117 VanDerWaalsContact C-N 3.28Å; H115-K117 PolarHBondContact O-N 2.63Å; K117-S120 WeakPolarHBondContact CA-OG 3.22Å; K117-S120 PolarHBondContact O-OG 3.32Å; K117-L121 VanDerWaalsContact O-CG 3.31Å; K117-L121 WeakPolarHBondContact O-CG 3.49Å; K117-L121 PolarHBondContact O-N 3.3Å
118I97.7Very high95.8Very high2 Ų270.1 Ų70.11%0.0135%0.354CS..Hα-helixtrans-66-48.8173.5-64.4176.3000109I65 V67 V89 V91 P97 I102 L110 H115 T116 S120 L121 A122I65-I118 HydrophobicContact CB-CD1 3.79Å; I65-I118 HydrophobicContact CG1-CD1 3.68Å; I65-I118 HydrophobicContact CG2-CD1 4.09Å; V67-I118 HydrophobicContact CG1-CG2 3.99Å; V89-I118 HydrophobicContact CG2-CG2 4.27Å; V91-I118 HydrophobicContact CG1-CD1 4.09Å; P97-I118 HydrophobicContact CG-CG1 3.82Å; I102-I118 HydrophobicContact CD1-CB 4.31Å; I102-I118 HydrophobicContact CD1-CG2 3.41Å; I102-I118 VanDerWaalsContact CD1-CG2 3.41Å; I102-I118 WeakPolarHBondContact CD1-O 3.3Å; L110-I118 HydrophobicContact CD1-CB 4.45Å; L110-I118 HydrophobicContact CD1-CG2 3.7Å; H115-I118 HydrophobicContact CB-CB 4.23Å; H115-I118 HydrophobicContact CB-CD1 4.07Å; H115-I118 HydrophobicContact CB-CG1 4.38Å; H115-I118 WeakPolarHBondContact O-CB 3.48Å; H115-I118 PolarHBondContact O-N 3.33Å; H115-I118 VanDerWaalsContact O-N 3.09Å; T116-I118 PolarHBondContact O-N 2.9Å; I118-S120 PolarHBondContact O-N 3.02Å; I118-L121 PolarHBondContact O-N 2.92Å; I118-L121 VanDerWaalsContact O-N 3.12Å; I118-A122 PolarHBondContact O-N 2.88Å
119A96.7Very high95.8Very high3 Ų370.4 Ų70.43%0.02536%0.355CS..Hα-helixtrans-59.3-33.2179.300000113.3L110 R111 H115 T116 T125L110-A119 HydrophobicContact CB-CB 4.26Å; R111-A119 HydrophobicContact CG-CB 3.77Å; H115-A119 PolarHBondContact O-N 2.83Å; T116-A119 PolarHBondContact O-N 2.8Å; A119-T125 HydrophobicContact CB-CG2 4.24Å
120S96.1Very high95.8Very high76 Ų7673 Ų7353%0.53137%0.369SS..Hα-helixtrans-76.7-23.1177.760.20000114.5T116 K117 I118 A122T116-S120 PolarHBondContact O-N 3.31Å; T116-S120 PolarHBondContact O-OG 3.12Å; K117-S120 WeakPolarHBondContact CA-OG 3.22Å; K117-S120 PolarHBondContact O-OG 3.32Å; I118-S120 PolarHBondContact O-N 3.02Å; S120-A122 VanDerWaalsContact C-N 3.31Å
121L97.4Very high95.8Very high58 Ų5877.6 Ų77.630%0.30439%0.392SS..Hα-helixtrans-82.7-10.3177.1-70.9176.9000113.1P97 T100 I102 K117 I118P97-L121 HydrophobicContact CB-CD1 3.97Å; P97-L121 HydrophobicContact CG-CD1 3.79Å; T100-L121 WeakPolarHBondContact O-CD2 3.08Å; I102-L121 HydrophobicContact CD1-CB 4Å; I102-L121 HydrophobicContact CG1-CB 4.03Å; I102-L121 PolarHBondContact N-O 3.14Å; K117-L121 VanDerWaalsContact O-CG 3.31Å; K117-L121 WeakPolarHBondContact O-CG 3.49Å; K117-L121 PolarHBondContact O-N 3.3Å; I118-L121 PolarHBondContact O-N 2.92Å; I118-L121 VanDerWaalsContact O-N 3.12Å
122A97.2Very high95.8Very high14 Ų1475.5 Ų75.512%0.11639%0.391CS..SBendtrans-85.7146.4178.500000111.5I102 V106 I118 S120 R124I102-A122 HydrophobicContact CB-CB 4.21Å; I102-A122 HydrophobicContact CD1-CB 4.25Å; I102-A122 HydrophobicContact CG2-CB 4.16Å; V106-A122 HydrophobicContact CB-CB 4.3Å; V106-A122 HydrophobicContact CG1-CB 3.88Å; V106-A122 HydrophobicContact CG2-CB 3.49Å; V106-A122 VanDerWaalsContact CG2-CB 3.49Å; I118-A122 PolarHBondContact O-N 2.88Å; S120-A122 VanDerWaalsContact C-N 3.31Å; A122-R124 PolarHBondContact O-N 3.37Å
123P97Very high96Very high93 Ų9373.5 Ų73.560%0.60437%0.373SS*.SBendtrans-64.5-28.1177.625.4-35.5000113.1I102 S104I102-P123 WeakPolarHBondContact O-CD 3.45Å; S104-P123 WeakPolarHBondContact O-CD 3.34Å
124R96.9Very high96.3Very high177 Ų17771.9 Ų71.967%0.66837%0.37SS*.  trans-160.9147.4179.2-174.6173.8178.1170.82.4111.2V105 V106 A122V105-R124 WeakPolarHBondContact CA-O 3.19Å; V105-R124 HydrophobicContact CG1-CB 4.07Å; V106-R124 PolarHBondContact N-O 3.45Å; V106-R124 VanDerWaalsContact N-O 3.15Å; A122-R124 PolarHBondContact O-N 3.37Å
125T96.5Very high96.5Very high44 Ų4463.8 Ų63.827%0.2734%0.336SS..BIsolated β-bridgetrans-105.6143.5169.953.80000110.9V106 A119V106-T125 HydrophobicContact CG2-CG2 3.93Å; V106-T125 CarbonylContact O-C 3.54Å; V106-T125 VanDerWaalsContact O-CA 3.28Å; V106-T125 WeakPolarHBondContact O-CA 3.07Å; A119-T125 HydrophobicContact CB-CG2 4.24Å
126I94.2Very high96.5Very high89 Ų8967.1 Ų67.146%0.45636%0.355SS..  trans-116.20177.8-62.2179.8000110R75 V81 F83 V105 V106 N108R75-I126 VanDerWaalsContact CZ-OXT 3.28Å; R75-I126 PolarHBondContact NH1-OXT 3.22Å; R75-I126 PolarHBondContact NH2-O 2.93Å; R75-I126 PolarHBondContact NH2-OXT 2.88Å; V81-I126 HydrophobicContact CG2-CG2 4.41Å; F83-I126 HydrophobicContact CE1-CB 4.38Å; F83-I126 HydrophobicContact CE1-CD1 4.19Å; F83-I126 HydrophobicContact CZ-CB 4.4Å; V105-I126 HydrophobicContact CB-CD1 4.03Å; V105-I126 HydrophobicContact CB-CG1 4.37Å; V105-I126 HydrophobicContact CG1-CD1 4.47Å; V105-I126 HydrophobicContact CG2-CD1 3.72Å; V106-I126 PolarHBondContact O-N 3.13Å; N108-I126 VanDerWaalsContact CB-O 3.32Å; N108-I126 WeakPolarHBondContact CB-O 3.32Å; N108-I126 PolarHBondContact N-O 2.7Å

Retrieved 126 of 126 residues in 143.2 ms (Link to these results)

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