A0A077ZHE2_TRITR Loading...

molybdopterin molybdotransferase

AlphaFold DB , UniProt , Accession A0A077ZHE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 195 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
1M53.7Low93.3Very high204 Ų20442.8 Ų42.8100%1.00522%0.216SC*.  0123.10-80.3170.4174.100107.1
2N85.3Confident93.4Very high134 Ų13440.2 Ų40.272%0.71721%0.205SC*.  trans-89.2134.6178.5-77.23.3000109.5P172N2-P172 HydrophobicContact CB-CB 3.99Å; N2-P172 VanDerWaalsContact O-CB 3.28Å; N2-P172 WeakPolarHBondContact O-CB 3.38Å
3T97.2Very high93Very high59 Ų5940 Ų4036%0.36221%0.205SC..  trans-69.8135.2177.7-57.90000110.7R5 P39 E41T3-R5 PolarHBondContact O-N 3.44Å; T3-P39 HydrophobicContact CG2-CB 4.33Å; T3-E41 HydrophobicContact CG2-CB 4.14Å; T3-E41 HydrophobicContact CG2-CG 4.01Å
4L98.7Very high92.7Very high1 Ų148 Ų481%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-77.2110.2172.617868.7000110.6I6 L36 P39 F40 E41 H68 I166 P172 V174L4-I6 HydrophobicContact CD2-CD1 3.69Å; L4-I6 HydrophobicContact CD2-CG1 3.82Å; L4-I6 HydrophobicContact CG-CD1 4.15Å; L4-I6 HydrophobicContact CG-CG1 3.74Å; L4-L36 HydrophobicContact CD2-CD1 4.26Å; L4-P39 PolarHBondContact N-O 3.46Å; L4-F40 HydrophobicContact CB-CB 4.08Å; L4-F40 CarbonylContact O-C 3.5Å; L4-F40 WeakPolarHBondContact O-CA 3.36Å; L4-F40 VanDerWaalsContact O-CB 3.24Å; L4-F40 WeakPolarHBondContact O-CB 3.32Å; L4-E41 PolarHBondContact O-N 2.85Å; L4-H68 HydrophobicContact CD1-CB 3.73Å; L4-I166 HydrophobicContact CD1-CD1 3.91Å; L4-I166 HydrophobicContact CD1-CG2 4.32Å; L4-I166 HydrophobicContact CD2-CD1 4.44Å; L4-P172 HydrophobicContact CB-CG 4.08Å; L4-P172 HydrophobicContact CD1-CG 3.79Å; L4-V174 HydrophobicContact CB-CG2 4.29Å; L4-V174 HydrophobicContact CD1-CG2 4Å; L4-V174 HydrophobicContact CD2-CG1 4.14Å; L4-V174 HydrophobicContact CD2-CG2 3.82Å; L4-V174 HydrophobicContact CG-CG2 4.25Å
5R98.8Very high92.4Very high66 Ų6645.1 Ų45.125%0.24922%0.218CC..EExtended strand (participates in β ladder)trans-82.9123.8169.8-171.7175.2-68.6-150.4-12.9112T3 E41 M65 C67 H68T3-R5 PolarHBondContact O-N 3.44Å; R5-E41 HydrophobicContact CB-CG 3.89Å; R5-E41 HydrophobicContact CG-CG 3.91Å; R5-E41 IonicContact CZ-OE1 2.68Å; R5-E41 IonicContact NE-OE1 3.85Å; R5-E41 PolarHBondContact NE-OE1 2.89Å; R5-E41 IonicContact NH2-OE1 3.21Å; R5-E41 PolarHBondContact NH2-OE1 3.02Å; R5-E41 IonicContact NH2-OE2 3.15Å; R5-M65 WeakPolarHBondContact CD-O 3.36Å; R5-M65 PolarHBondContact NE-O 2.93Å; R5-M65 PolarHBondContact NH1-O 3.32Å; R5-C67 HydrophobicContact CG-CB 4.47Å; R5-H68 PolarHBondContact N-ND1 3.31Å; R5-H68 VanDerWaalsContact N-ND1 3.14Å; R5-H68 PolarHBondContact O-N 3.03Å
6I98.9Very high91.8Very high0 Ų045.3 Ų45.30%023%0.225CC..EExtended strand (participates in β ladder)trans-122.7125.9-176.7-47.1175.1000110.5L4 L8 L32 L36 F40 E41 L42 E43 L69L4-I6 HydrophobicContact CD2-CD1 3.69Å; L4-I6 HydrophobicContact CD2-CG1 3.82Å; L4-I6 HydrophobicContact CG-CD1 4.15Å; L4-I6 HydrophobicContact CG-CG1 3.74Å; I6-L8 HydrophobicContact CG2-CD2 3.73Å; I6-L32 HydrophobicContact CD1-CD1 3.97Å; I6-L32 HydrophobicContact CD1-CD2 3.96Å; I6-L32 HydrophobicContact CG2-CD1 4.36Å; I6-L36 HydrophobicContact CD1-CD1 3.88Å; I6-F40 HydrophobicContact CD1-CB 4.22Å; I6-F40 HydrophobicContact CD1-CD2 4.2Å; I6-F40 HydrophobicContact CD1-CG 4.42Å; I6-E41 PolarHBondContact N-O 3.11Å; I6-L42 HydrophobicContact CB-CD2 3.88Å; I6-L42 HydrophobicContact CD1-CD2 4.3Å; I6-L42 HydrophobicContact CG1-CD2 4.48Å; I6-L42 WeakPolarHBondContact O-CA 3.16Å; I6-E43 PolarHBondContact O-N 3.18Å; I6-L69 CarbonylContact C-O 3.52Å; I6-L69 VanDerWaalsContact CA-O 3.26Å; I6-L69 WeakPolarHBondContact CA-O 3.49Å; I6-L69 HydrophobicContact CG1-CB 4.49Å; I6-L69 HydrophobicContact CG2-CB 4.22Å; I6-L69 HydrophobicContact CG2-CD2 4.11Å; I6-L69 HydrophobicContact CG2-CG 4.13Å
7G98.9Very high91.4Very high0 Ų047.2 Ų47.20%025%0.245CC..EExtended strand (participates in β ladder)trans-86.3129.4168.700000111.1E43 C67 L69 V70 L71G7-E43 CarbonylContact C-O 3.48Å; G7-E43 VanDerWaalsContact CA-O 3.31Å; G7-E43 WeakPolarHBondContact CA-O 3.49Å; G7-C67 PolarHBondContact N-SG 2.9Å; G7-L69 PolarHBondContact N-O 2.94Å; G7-V70 CarbonylContact O-C 3.51Å; G7-V70 VanDerWaalsContact O-CA 3.27Å; G7-V70 WeakPolarHBondContact O-CA 3.15Å; G7-L71 PolarHBondContact O-N 3.04Å
8L98.9Very high91.1Very high0 Ų048.2 Ų48.20%027%0.268CS..EExtended strand (participates in β ladder)trans-115.8121.2174.1-52.5-177000109.3I6 L28 E29 L32 L42 E43 T44 R45 L71I6-L8 HydrophobicContact CG2-CD2 3.73Å; L8-L28 HydrophobicContact CB-CD1 4.46Å; L8-L28 HydrophobicContact CD1-CB 3.93Å; L8-L28 HydrophobicContact CD2-CB 4.17Å; L8-L28 HydrophobicContact CD2-CD1 4.24Å; L8-E29 HydrophobicContact CD1-CG 3.94Å; L8-L32 HydrophobicContact CD1-CD1 4.29Å; L8-L32 HydrophobicContact CD2-CD1 3.79Å; L8-L42 HydrophobicContact CD1-CD1 3.96Å; L8-L42 HydrophobicContact CD1-CD2 4.04Å; L8-L42 HydrophobicContact CD1-CG 4.49Å; L8-L42 HydrophobicContact CG-CD2 4.27Å; L8-E43 PolarHBondContact N-O 2.87Å; L8-T44 HydrophobicContact CB-CG2 4.26Å; L8-T44 HydrophobicContact CD1-CG2 4.26Å; L8-T44 CarbonylContact O-C 3.54Å; L8-T44 WeakPolarHBondContact O-CA 3.48Å; L8-R45 PolarHBondContact O-N 2.96Å; L8-L71 WeakPolarHBondContact CA-O 3.27Å; L8-L71 HydrophobicContact CD2-CB 4.06Å; L8-L71 HydrophobicContact CD2-CD1 4.3Å; L8-L71 HydrophobicContact CD2-CG 4.46Å
9V98.8Very high90.5Very high0 Ų051.1 Ų51.10%029%0.287CS..EExtended strand (participates in β ladder)trans-121.7109.3-177.6-167.40000110I11 R45 I47 T57 L58 L61 V70 L71 T72 T73V9-I11 HydrophobicContact CG1-CD1 4.26Å; V9-I11 HydrophobicContact CG1-CG1 3.75Å; V9-R45 WeakPolarHBondContact CA-O 3.18Å; V9-R45 HydrophobicContact CG1-CB 4.38Å; V9-I47 HydrophobicContact CG1-CD1 3.55Å; V9-I47 HydrophobicContact CG1-CG1 3.79Å; V9-T57 HydrophobicContact CG1-CG2 4.12Å; V9-T57 HydrophobicContact CG2-CG2 4.12Å; V9-L58 HydrophobicContact CG2-CD2 4.43Å; V9-L61 HydrophobicContact CG2-CD1 3.35Å; V9-V70 HydrophobicContact CG2-CG1 4.07Å; V9-L71 PolarHBondContact N-O 3.14Å; V9-T72 HydrophobicContact CB-CG2 4.15Å; V9-T72 HydrophobicContact CG2-CG2 4.49Å; V9-T72 CarbonylContact O-C 3.54Å; V9-T72 VanDerWaalsContact O-CA 3.27Å; V9-T72 WeakPolarHBondContact O-CA 3.26Å; V9-T73 PolarHBondContact O-N 3.2Å
10S98.4Very high90.3Very high4 Ų453.2 Ų53.23%0.02829%0.291CS..EExtended strand (participates in β ladder)trans-88.5122.9167.2-1780000109.3D22 R45 L46 I47S10-D22 WeakPolarHBondContact CB-OD1 3.41Å; S10-D22 PolarHBondContact OG-OD1 2.85Å; S10-R45 PolarHBondContact N-O 3.31Å; S10-L46 WeakPolarHBondContact O-CA 3.3Å; S10-I47 PolarHBondContact O-N 3.42Å
11I98.4Very high90.3Very high3 Ų358.3 Ų58.32%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-114.8106.8-174.8-50.4170.6000106.9V9 I47 D49 I54 T72 T73 T84V9-I11 HydrophobicContact CG1-CD1 4.26Å; V9-I11 HydrophobicContact CG1-CG1 3.75Å; I11-I47 WeakPolarHBondContact CA-O 3.34Å; I11-I47 HydrophobicContact CG1-CD1 4.19Å; I11-I47 HydrophobicContact CG1-CG1 4.05Å; I11-I47 HydrophobicContact CG2-CG1 4.47Å; I11-D49 HydrophobicContact CG2-CB 4.47Å; I11-D49 WeakPolarHBondContact CG2-OD1 3.44Å; I11-I54 HydrophobicContact CD1-CD1 4.23Å; I11-I54 HydrophobicContact CD1-CG1 4.16Å; I11-I54 HydrophobicContact CD1-CG2 3.89Å; I11-I54 HydrophobicContact CG2-CD1 3.6Å; I11-I54 HydrophobicContact CG2-CG1 3.89Å; I11-T72 HydrophobicContact CD1-CG2 4.31Å; I11-T73 PolarHBondContact N-O 3.33Å; I11-T84 HydrophobicContact CD1-CG2 3.43Å; I11-T84 VanDerWaalsContact CD1-CG2 3.43Å; I11-T84 WeakPolarHBondContact CD1-OG1 3.46Å
12S94.5Very high92.1Very high11 Ų1149.6 Ų49.68%0.07727%0.27CS..  trans-166.8114-173.9158.10000110.7R14 A15 S16 Y20 I47 D49S12-R14 PolarHBondContact O-N 2.78Å; S12-A15 PolarHBondContact O-N 3.06Å; S12-A15 VanDerWaalsContact OG-CB 3.27Å; S12-A15 WeakPolarHBondContact OG-CB 3.32Å; S12-A15 PolarHBondContact OG-N 2.7Å; S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 2.83Å; S12-S16 PolarHBondContact O-OG 2.85Å; S12-Y20 WeakPolarHBondContact OG-CE2 3.41Å; S12-Y20 PolarHBondContact OG-OH 3.43Å; S12-I47 PolarHBondContact N-O 3.03Å; S12-D49 WeakPolarHBondContact CA-OD2 2.84Å
13D89.2Confident92.6Very high38 Ų3849.9 Ų49.920%0.20327%0.265CS..Hα-helixtrans-47.6-47.5171.8-78.8-13.7000112S16 S17 D49 R81D13-S16 PolarHBondContact O-OG 2.68Å; D13-S16 VanDerWaalsContact O-OG 3.09Å; D13-S17 VanDerWaalsContact O-CB 3.26Å; D13-S17 WeakPolarHBondContact O-CB 3.46Å; D13-S17 PolarHBondContact O-N 3.34Å; D13-S17 PolarHBondContact O-OG 3.15Å; D13-S17 VanDerWaalsContact O-OG 3.11Å; D13-D49 PolarHBondContact N-OD2 3.44Å; D13-D49 PolarHBondContact OD1-N 2.95Å; D13-R81 IonicContact OD1-NH2 3.31Å; D13-R81 IonicContact OD2-CZ 3.17Å; D13-R81 IonicContact OD2-NE 3.37Å; D13-R81 PolarHBondContact OD2-NE 2.93Å; D13-R81 IonicContact OD2-NH1 3.3Å; D13-R81 IonicContact OD2-NH2 3.06Å; D13-R81 PolarHBondContact OD2-NH2 3.2Å
14R88.3Confident92.5Very high152 Ų15247.2 Ų47.257%0.57425%0.249SC*.Hα-helixtrans-76.3-30.4-173.3-71.4-176.2-73.71721.8113.3S12 S17 G18 V19 Y20S12-R14 PolarHBondContact O-N 2.78Å; R14-S17 PolarHBondContact O-OG 2.73Å; R14-G18 PolarHBondContact O-N 2.74Å; R14-V19 HydrophobicContact CB-CB 4.15Å; R14-V19 HydrophobicContact CB-CG1 4.37Å; R14-V19 HydrophobicContact CG-CG1 4.41Å; R14-V19 WeakPolarHBondContact O-CA 3.36Å; R14-V19 WeakPolarHBondContact O-CB 3.41Å; R14-V19 PolarHBondContact O-N 3.13Å; R14-Y20 HydrophobicContact CB-CD1 3.66Å; R14-Y20 HydrophobicContact CB-CE1 3.22Å; R14-Y20 HydrophobicContact CB-CE2 4.27Å; R14-Y20 HydrophobicContact CB-CG 4.36Å; R14-Y20 HydrophobicContact CG-CE1 4.07Å; R14-Y20 PolarHBondContact O-N 3.46Å
15A88.5Confident92.5Very high5 Ų548 Ų484%0.04125%0.253CS..Hα-helixtrans-76.8-46.5176.200000110.5S12 S17 G18 Y20 D22 L46S12-A15 PolarHBondContact O-N 3.06Å; S12-A15 VanDerWaalsContact OG-CB 3.27Å; S12-A15 WeakPolarHBondContact OG-CB 3.32Å; S12-A15 PolarHBondContact OG-N 2.7Å; A15-S17 VanDerWaalsContact C-N 3.25Å; A15-S17 PolarHBondContact O-N 3.1Å; A15-G18 PolarHBondContact O-N 2.95Å; A15-Y20 WeakPolarHBondContact CA-O 3.1Å; A15-Y20 HydrophobicContact CB-CD2 3.85Å; A15-Y20 HydrophobicContact CB-CE2 3.52Å; A15-D22 HydrophobicContact CB-CB 4.14Å; A15-L46 HydrophobicContact CB-CD1 3.59Å; A15-L46 HydrophobicContact CB-CD2 4.19Å; A15-L46 HydrophobicContact CB-CG 4.44Å
16S82.7Confident92.4Very high47 Ų4747.6 Ų47.633%0.32926%0.259SS..Hα-helixtrans-62.8-31.9178.458.50000112.5S12 D13 G18 P48S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 2.83Å; S12-S16 PolarHBondContact O-OG 2.85Å; D13-S16 PolarHBondContact O-OG 2.68Å; D13-S16 VanDerWaalsContact O-OG 3.09Å; S16-G18 VanDerWaalsContact C-N 3.29Å; S16-G18 PolarHBondContact O-N 3.49Å; S16-P48 WeakPolarHBondContact OG-CA 3.29Å
17S84.9Confident92.4Very high79 Ų7948.3 Ų48.355%0.55227%0.265SS*.THydrogen-bonded Turntrans-83.23.9173.479.90000114.5D13 R14 A15 V19D13-S17 VanDerWaalsContact O-CB 3.26Å; D13-S17 WeakPolarHBondContact O-CB 3.46Å; D13-S17 PolarHBondContact O-N 3.34Å; D13-S17 PolarHBondContact O-OG 3.15Å; D13-S17 VanDerWaalsContact O-OG 3.11Å; R14-S17 PolarHBondContact O-OG 2.73Å; A15-S17 VanDerWaalsContact C-N 3.25Å; A15-S17 PolarHBondContact O-N 3.1Å; S17-V19 VanDerWaalsContact C-N 3.27Å; S17-V19 PolarHBondContact O-N 3.05Å; S17-V19 VanDerWaalsContact OG-CG2 3.22Å; S17-V19 WeakPolarHBondContact OG-CG2 3.48Å
18G85.5Confident92.4Very high64 Ų6448.3 Ų48.366%0.6627%0.265SS*.THydrogen-bonded Turntrans70.114.1-18000000115.5R14 A15 S16 Y20R14-G18 PolarHBondContact O-N 2.74Å; A15-G18 PolarHBondContact O-N 2.95Å; S16-G18 VanDerWaalsContact C-N 3.29Å; S16-G18 PolarHBondContact O-N 3.49Å; G18-Y20 VanDerWaalsContact C-N 3.33Å
19V80.3Confident92.4Very high104 Ų10451.8 Ų51.863%0.6328%0.281SS*.SBendtrans-70.5-32.9177.91700000111.1R14 S17R14-V19 HydrophobicContact CB-CB 4.15Å; R14-V19 HydrophobicContact CB-CG1 4.37Å; R14-V19 HydrophobicContact CG-CG1 4.41Å; R14-V19 WeakPolarHBondContact O-CA 3.36Å; R14-V19 WeakPolarHBondContact O-CB 3.41Å; R14-V19 PolarHBondContact O-N 3.13Å; S17-V19 VanDerWaalsContact C-N 3.27Å; S17-V19 PolarHBondContact O-N 3.05Å; S17-V19 VanDerWaalsContact OG-CG2 3.22Å; S17-V19 WeakPolarHBondContact OG-CG2 3.48Å
20Y87.2Confident92.4Very high93 Ų9358.8 Ų58.837%0.36531%0.314SS..SBendtrans-140.2160.7165.856.4-122.7000112.3S12 R14 A15 G18S12-Y20 WeakPolarHBondContact OG-CE2 3.41Å; S12-Y20 PolarHBondContact OG-OH 3.43Å; R14-Y20 HydrophobicContact CB-CD1 3.66Å; R14-Y20 HydrophobicContact CB-CE1 3.22Å; R14-Y20 HydrophobicContact CB-CE2 4.27Å; R14-Y20 HydrophobicContact CB-CG 4.36Å; R14-Y20 HydrophobicContact CG-CE1 4.07Å; R14-Y20 PolarHBondContact O-N 3.46Å; A15-Y20 WeakPolarHBondContact CA-O 3.1Å; A15-Y20 HydrophobicContact CB-CD2 3.85Å; A15-Y20 HydrophobicContact CB-CE2 3.52Å; G18-Y20 VanDerWaalsContact C-N 3.33Å
21Q89Confident92.4Very high160 Ų16059 Ų5975%0.74831%0.314SS*.  trans-67.4130.9171-171.3-179.16.200110.3
22D93Very high92.4Very high22 Ų2258.8 Ų58.812%0.11831%0.313CS..  trans-59.4137.2170.2179.548.7000110.9S10 A15 G24 I25 P26 L46S10-D22 WeakPolarHBondContact CB-OD1 3.41Å; S10-D22 PolarHBondContact OG-OD1 2.85Å; A15-D22 HydrophobicContact CB-CB 4.14Å; D22-G24 PolarHBondContact OD1-N 3.19Å; D22-G24 PolarHBondContact OD2-N 2.92Å; D22-I25 VanDerWaalsContact OD2-CB 3.29Å; D22-I25 WeakPolarHBondContact OD2-CB 3.43Å; D22-I25 PolarHBondContact OD2-N 3.45Å; D22-P26 WeakPolarHBondContact OD2-CD 3.39Å; D22-L46 HydrophobicContact CB-CD1 4.3Å; D22-L46 HydrophobicContact CB-CD2 4.24Å
23K94.9Very high92.6Very high139 Ų13962.7 Ų62.760%0.60434%0.337SS*.  trans-118.8-5.6172.4-59.7-174.4178.8-177.50111.9A27 P136K23-A27 WeakPolarHBondContact O-CB 3.48Å; K23-A27 PolarHBondContact O-N 2.97Å; K23-P136 HydrophobicContact CB-CG 3.63Å; K23-P136 HydrophobicContact CD-CG 4.45Å
24G95.2Very high93Very high3 Ų363.5 Ų63.53%0.03135%0.345CS..Hα-helixtrans-72.2-57.1-178.500000111.9D22 A27 L28D22-G24 PolarHBondContact OD1-N 3.19Å; D22-G24 PolarHBondContact OD2-N 2.92Å; G24-A27 PolarHBondContact O-N 3.44Å; G24-L28 WeakPolarHBondContact O-CG 3.48Å; G24-L28 PolarHBondContact O-N 3.19Å
25I97.9Very high93.5Very high18 Ų1856.3 Ų56.39%0.09232%0.318CS..Hα-helixtrans-59.9-51178.7-68.7160.2000110.6D22 A27 L28 E29 T44 L46D22-I25 VanDerWaalsContact OD2-CB 3.29Å; D22-I25 WeakPolarHBondContact OD2-CB 3.43Å; D22-I25 PolarHBondContact OD2-N 3.45Å; I25-A27 VanDerWaalsContact C-N 3.27Å; I25-A27 PolarHBondContact O-N 3.26Å; I25-L28 PolarHBondContact O-N 3.23Å; I25-L28 VanDerWaalsContact O-N 3.09Å; I25-E29 HydrophobicContact CG2-CG 4.06Å; I25-E29 WeakPolarHBondContact CG2-OE1 3.4Å; I25-E29 WeakPolarHBondContact O-CG 3.4Å; I25-E29 PolarHBondContact O-N 2.95Å; I25-T44 HydrophobicContact CG2-CG2 3.82Å; I25-L46 HydrophobicContact CD1-CB 4.29Å
26P98Very high94Very high58 Ų5856.8 Ų56.838%0.37732%0.32SS..Hα-helixtrans-57.6-38.1179.2-2735.4000113.7D22 E29 E30D22-P26 WeakPolarHBondContact OD2-CD 3.39Å; P26-E29 PolarHBondContact O-N 3.45Å; P26-E30 WeakPolarHBondContact O-CB 3.44Å; P26-E30 PolarHBondContact O-N 3.22Å
27A98.2Very high94.7Very high15 Ų1558.6 Ų58.612%0.12433%0.329CS..Hα-helixtrans-68.9-37.3178.600000112.6K23 G24 I25 W31 P136 I139K23-A27 WeakPolarHBondContact O-CB 3.48Å; K23-A27 PolarHBondContact O-N 2.97Å; G24-A27 PolarHBondContact O-N 3.44Å; I25-A27 VanDerWaalsContact C-N 3.27Å; I25-A27 PolarHBondContact O-N 3.26Å; A27-W31 WeakPolarHBondContact O-CB 3.4Å; A27-W31 PolarHBondContact O-N 2.97Å; A27-W31 VanDerWaalsContact O-N 3.09Å; A27-P136 HydrophobicContact CB-CB 3.73Å; A27-P136 HydrophobicContact CB-CG 4.21Å; A27-I139 HydrophobicContact CB-CD1 4.32Å
28L98.5Very high95.3Very high0 Ų055.9 Ų55.90%031%0.309CS..Hα-helixtrans-68.5-43.3175-72167.1000111.3L8 G24 I25 W31 L32 L71 T73 L132 I139 L143L8-L28 HydrophobicContact CB-CD1 4.46Å; L8-L28 HydrophobicContact CD1-CB 3.93Å; L8-L28 HydrophobicContact CD2-CB 4.17Å; L8-L28 HydrophobicContact CD2-CD1 4.24Å; G24-L28 WeakPolarHBondContact O-CG 3.48Å; G24-L28 PolarHBondContact O-N 3.19Å; I25-L28 PolarHBondContact O-N 3.23Å; I25-L28 VanDerWaalsContact O-N 3.09Å; L28-W31 PolarHBondContact O-N 3.17Å; L28-L32 VanDerWaalsContact O-CB 3.3Å; L28-L32 WeakPolarHBondContact O-CB 3.43Å; L28-L32 WeakPolarHBondContact O-CD1 3.43Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.4Å; L28-L71 HydrophobicContact CD1-CB 4.44Å; L28-L71 HydrophobicContact CD2-CB 4.37Å; L28-L71 HydrophobicContact CD2-CD1 4.07Å; L28-T73 HydrophobicContact CD1-CG2 3.96Å; L28-L132 HydrophobicContact CD2-CD1 3.63Å; L28-I139 HydrophobicContact CD2-CG2 3.5Å; L28-I139 HydrophobicContact CG-CG2 4.16Å; L28-L143 HydrophobicContact CD2-CD1 4.13Å
29E98.5Very high95.9Very high73 Ų7356.2 Ų56.234%0.34130%0.3SS..Hα-helixtrans-58.5-50.5176-73179.3169.300111.8L8 I25 P26 W31 T33 L42L8-E29 HydrophobicContact CD1-CG 3.94Å; I25-E29 HydrophobicContact CG2-CG 4.06Å; I25-E29 WeakPolarHBondContact CG2-OE1 3.4Å; I25-E29 WeakPolarHBondContact O-CG 3.4Å; I25-E29 PolarHBondContact O-N 2.95Å; P26-E29 PolarHBondContact O-N 3.45Å; E29-W31 PolarHBondContact O-N 2.94Å; E29-T33 VanDerWaalsContact O-CB 3.3Å; E29-T33 WeakPolarHBondContact O-CB 3.42Å; E29-T33 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-OG1 3.38Å; E29-L42 HydrophobicContact CB-CD1 4.47Å; E29-L42 HydrophobicContact CG-CD1 3.65Å
30E98.5Very high96.8Very high147 Ų14753.9 Ų53.969%0.68728%0.281SS*.Hα-helixtrans-59.4-47.8178.3-175.2-174.9165.100111P26 T33 S34P26-E30 WeakPolarHBondContact O-CB 3.44Å; P26-E30 PolarHBondContact O-N 3.22Å; E30-T33 PolarHBondContact O-N 2.95Å; E30-S34 PolarHBondContact O-N 2.86Å
31W98.7Very high97.3Very high7 Ų753.2 Ų53.23%0.02728%0.282CS..Hα-helixtrans-65.5-47.5-178.2-171.385.7000112A27 L28 E29 T33 S34 A35 L143 E144 F159 V180 V181A27-W31 WeakPolarHBondContact O-CB 3.4Å; A27-W31 PolarHBondContact O-N 2.97Å; A27-W31 VanDerWaalsContact O-N 3.09Å; L28-W31 PolarHBondContact O-N 3.17Å; E29-W31 PolarHBondContact O-N 2.94Å; W31-T33 VanDerWaalsContact C-N 3.32Å; W31-T33 PolarHBondContact O-N 3.33Å; W31-S34 PolarHBondContact O-N 3.32Å; W31-S34 VanDerWaalsContact O-N 3.12Å; W31-S34 PolarHBondContact O-OG 3.47Å; W31-A35 HydrophobicContact CD2-CB 4.22Å; W31-A35 HydrophobicContact CE3-CB 4.01Å; W31-A35 HydrophobicContact CH2-CB 3.66Å; W31-A35 HydrophobicContact CZ2-CB 3.9Å; W31-A35 HydrophobicContact CZ3-CB 3.74Å; W31-A35 VanDerWaalsContact O-CB 3.29Å; W31-A35 WeakPolarHBondContact O-CB 3.47Å; W31-A35 PolarHBondContact O-N 3.19Å; W31-L143 HydrophobicContact CD2-CB 3.95Å; W31-L143 HydrophobicContact CD2-CD1 3.68Å; W31-L143 HydrophobicContact CD2-CG 4.45Å; W31-L143 HydrophobicContact CE3-CB 4.19Å; W31-L143 HydrophobicContact CE3-CD1 3.56Å; W31-L143 HydrophobicContact CE3-CG 4.39Å; W31-L143 HydrophobicContact CG-CD1 4.18Å; W31-L143 HydrophobicContact CH2-CB 3.77Å; W31-L143 HydrophobicContact CZ2-CB 3.48Å; W31-L143 VanDerWaalsContact CZ2-CB 3.48Å; W31-L143 HydrophobicContact CZ3-CB 4.1Å; W31-L143 HydrophobicContact CZ3-CD1 4.01Å; W31-L143 HydrophobicContact CZ3-CD2 4.44Å; W31-L143 HydrophobicContact CZ3-CG 4.42Å; W31-E144 HydrophobicContact CZ2-CB 4.48Å; W31-F159 HydrophobicContact CH2-CB 3.47Å; W31-F159 VanDerWaalsContact CH2-CB 3.47Å; W31-F159 AromaticContact CH2-CD1 3.56Å; W31-F159 HydrophobicContact CH2-CD1 3.56Å; W31-F159 AromaticContact CH2-CD2 3.89Å; W31-F159 HydrophobicContact CH2-CD2 3.89Å; W31-F159 HydrophobicContact CH2-CE1 4.21Å; W31-F159 HydrophobicContact CH2-CE2 4.49Å; W31-F159 AromaticContact CH2-CG 3.36Å; W31-F159 HydrophobicContact CH2-CG 3.36Å; W31-F159 HydrophobicContact CZ2-CB 4.26Å; W31-F159 HydrophobicContact CZ3-CB 4.21Å; W31-F159 AromaticContact CZ3-CD1 3.95Å; W31-F159 HydrophobicContact CZ3-CD1 3.95Å; W31-F159 AromaticContact CZ3-CD2 3.75Å; W31-F159 HydrophobicContact CZ3-CD2 3.75Å; W31-F159 HydrophobicContact CZ3-CE1 4.19Å; W31-F159 AromaticContact CZ3-CE2 4Å; W31-F159 HydrophobicContact CZ3-CE2 4Å; W31-F159 AromaticContact CZ3-CG 3.71Å; W31-F159 HydrophobicContact CZ3-CG 3.71Å; W31-F159 HydrophobicContact CZ3-CZ 4.21Å; W31-V180 HydrophobicContact CZ2-CG1 4.42Å; W31-V181 HydrophobicContact CH2-CG1 3.93Å; W31-V181 HydrophobicContact CZ2-CB 4.5Å; W31-V181 HydrophobicContact CZ2-CG1 3.97Å
32L98.7Very high97.8Very high0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-60.8-41.7178.7-73.2168000111.7I6 L8 L28 S34 A35 L36 F40 L42 L71 F159I6-L32 HydrophobicContact CD1-CD1 3.97Å; I6-L32 HydrophobicContact CD1-CD2 3.96Å; I6-L32 HydrophobicContact CG2-CD1 4.36Å; L8-L32 HydrophobicContact CD1-CD1 4.29Å; L8-L32 HydrophobicContact CD2-CD1 3.79Å; L28-L32 VanDerWaalsContact O-CB 3.3Å; L28-L32 WeakPolarHBondContact O-CB 3.43Å; L28-L32 WeakPolarHBondContact O-CD1 3.43Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 3.4Å; L32-S34 VanDerWaalsContact C-N 3.28Å; L32-S34 PolarHBondContact O-N 3.26Å; L32-A35 PolarHBondContact O-N 3.49Å; L32-L36 HydrophobicContact CB-CD1 4.33Å; L32-L36 HydrophobicContact CD2-CD1 3.92Å; L32-L36 WeakPolarHBondContact O-CB 3.38Å; L32-L36 PolarHBondContact O-N 3.33Å; L32-F40 HydrophobicContact CB-CE2 4.33Å; L32-F40 HydrophobicContact CB-CZ 4.3Å; L32-L42 HydrophobicContact CD1-CD2 4.12Å; L32-L71 HydrophobicContact CD1-CD1 4.4Å; L32-L71 HydrophobicContact CD2-CD1 4.39Å; L32-F159 HydrophobicContact CD2-CE2 4.2Å; L32-F159 HydrophobicContact CD2-CZ 4.18Å
33T98.6Very high98.1Very high93 Ų9349 Ų4957%0.57126%0.263SS*.Hα-helixtrans-61.6-37.4176.2-56.80000111.8E29 E30 W31E29-T33 VanDerWaalsContact O-CB 3.3Å; E29-T33 WeakPolarHBondContact O-CB 3.42Å; E29-T33 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-OG1 3.38Å; E30-T33 PolarHBondContact O-N 2.95Å; W31-T33 VanDerWaalsContact C-N 3.32Å; W31-T33 PolarHBondContact O-N 3.33Å
34S98.4Very high98.2Very high55 Ų5545.1 Ų45.139%0.38525%0.251SS..Hα-helixtrans-75.2-32.3176.275.80000113.3E30 W31 L32 V180E30-S34 PolarHBondContact O-N 2.86Å; W31-S34 PolarHBondContact O-N 3.32Å; W31-S34 VanDerWaalsContact O-N 3.12Å; W31-S34 PolarHBondContact O-OG 3.47Å; L32-S34 VanDerWaalsContact C-N 3.28Å; L32-S34 PolarHBondContact O-N 3.26Å; S34-V180 WeakPolarHBondContact O-CG2 3.45Å
35A98.6Very high98.4Very high0 Ų047.7 Ų47.70%026%0.259CS..Hα-helixtrans-91.2-34.1-169.400000113.6W31 L32 T176 A177 V180 V181W31-A35 HydrophobicContact CD2-CB 4.22Å; W31-A35 HydrophobicContact CE3-CB 4.01Å; W31-A35 HydrophobicContact CH2-CB 3.66Å; W31-A35 HydrophobicContact CZ2-CB 3.9Å; W31-A35 HydrophobicContact CZ3-CB 3.74Å; W31-A35 VanDerWaalsContact O-CB 3.29Å; W31-A35 WeakPolarHBondContact O-CB 3.47Å; W31-A35 PolarHBondContact O-N 3.19Å; L32-A35 PolarHBondContact O-N 3.49Å; A35-T176 CarbonylContact O-C 3.41Å; A35-T176 WeakPolarHBondContact O-CA 3.47Å; A35-T176 WeakPolarHBondContact O-CB 3.39Å; A35-A177 PolarHBondContact O-N 2.98Å; A35-V180 HydrophobicContact CB-CB 4.49Å; A35-V180 HydrophobicContact CB-CG1 3.89Å; A35-V181 HydrophobicContact CB-CG1 4.16Å
36L98.5Very high98.4Very high15 Ų1550.3 Ų50.38%0.07927%0.273CS..BIsolated β-bridgetrans-92.2129.3-173.7-68.2172.1000111.7L4 I6 L32 F40 F159 V174 T176L4-L36 HydrophobicContact CD2-CD1 4.26Å; I6-L36 HydrophobicContact CD1-CD1 3.88Å; L32-L36 HydrophobicContact CB-CD1 4.33Å; L32-L36 HydrophobicContact CD2-CD1 3.92Å; L32-L36 WeakPolarHBondContact O-CB 3.38Å; L32-L36 PolarHBondContact O-N 3.33Å; L36-F40 HydrophobicContact CB-CD1 3.9Å; L36-F40 HydrophobicContact CB-CE1 4.12Å; L36-F40 HydrophobicContact CD1-CB 4.01Å; L36-F40 HydrophobicContact CD1-CD1 3.58Å; L36-F40 HydrophobicContact CD1-CD2 4.38Å; L36-F40 HydrophobicContact CD1-CE1 4.11Å; L36-F40 HydrophobicContact CD1-CG 3.73Å; L36-F40 HydrophobicContact CG-CD1 4.39Å; L36-F159 HydrophobicContact CD2-CE1 4Å; L36-F159 HydrophobicContact CD2-CZ 4.12Å; L36-V174 HydrophobicContact CD2-CG1 3.43Å; L36-V174 VanDerWaalsContact CD2-CG1 3.43Å; L36-T176 HydrophobicContact CD2-CG2 4.18Å
37T97.8Very high98.4Very high85 Ų8548.3 Ų48.352%0.52126%0.259SS..  trans-99.7-20.8173.9540000112.5E175 A177T37-E175 PolarHBondContact N-O 2.95Å; T37-E175 VanDerWaalsContact N-O 3.07Å; T37-E175 VanDerWaalsContact OG1-C 3.27Å; T37-E175 VanDerWaalsContact OG1-CB 3.3Å; T37-E175 WeakPolarHBondContact OG1-CB 3.34Å; T37-E175 PolarHBondContact OG1-O 3.2Å; T37-A177 HydrophobicContact CG2-CB 4.09Å
38T97.2Very high98.3Very high22 Ų2249.1 Ų49.114%0.13526%0.263CS..SBendtrans-86.4152.5172.246.60000112.1E175T38-E175 HydrophobicContact CG2-CB 3.87Å; T38-E175 HydrophobicContact CG2-CG 4.05Å; T38-E175 PolarHBondContact OG1-N 2.99Å; T38-E175 VanDerWaalsContact OG1-N 3.11Å
39P98.1Very high98.3Very high72 Ų7250.1 Ų50.147%0.46827%0.268SS..  trans-57.9137.6178.8-23.933.6000113.2T3 L4T3-P39 HydrophobicContact CG2-CB 4.33Å; L4-P39 PolarHBondContact N-O 3.46Å
40F98.7Very high98.3Very high54 Ų5450.7 Ų50.724%0.23727%0.271CS..EExtended strand (participates in β ladder)trans-139160.2172.970.8-86.6000111.1L4 I6 L32 L36 L42L4-F40 HydrophobicContact CB-CB 4.08Å; L4-F40 CarbonylContact O-C 3.5Å; L4-F40 WeakPolarHBondContact O-CA 3.36Å; L4-F40 VanDerWaalsContact O-CB 3.24Å; L4-F40 WeakPolarHBondContact O-CB 3.32Å; I6-F40 HydrophobicContact CD1-CB 4.22Å; I6-F40 HydrophobicContact CD1-CD2 4.2Å; I6-F40 HydrophobicContact CD1-CG 4.42Å; L32-F40 HydrophobicContact CB-CE2 4.33Å; L32-F40 HydrophobicContact CB-CZ 4.3Å; L36-F40 HydrophobicContact CB-CD1 3.9Å; L36-F40 HydrophobicContact CB-CE1 4.12Å; L36-F40 HydrophobicContact CD1-CB 4.01Å; L36-F40 HydrophobicContact CD1-CD1 3.58Å; L36-F40 HydrophobicContact CD1-CD2 4.38Å; L36-F40 HydrophobicContact CD1-CE1 4.11Å; L36-F40 HydrophobicContact CD1-CG 3.73Å; L36-F40 HydrophobicContact CG-CD1 4.39Å; F40-L42 HydrophobicContact CD2-CD2 3.66Å; F40-L42 HydrophobicContact CD2-CG 3.99Å; F40-L42 HydrophobicContact CE2-CD1 4.05Å; F40-L42 HydrophobicContact CE2-CD2 3.74Å; F40-L42 HydrophobicContact CE2-CG 3.82Å
41E98.5Very high98.3Very high80 Ų8047.4 Ų47.437%0.37426%0.256SS..EExtended strand (participates in β ladder)trans-134.2151.6173.865.8-173.8170.100109.6T3 L4 R5 I6T3-E41 HydrophobicContact CG2-CB 4.14Å; T3-E41 HydrophobicContact CG2-CG 4.01Å; L4-E41 PolarHBondContact O-N 2.85Å; R5-E41 HydrophobicContact CB-CG 3.89Å; R5-E41 HydrophobicContact CG-CG 3.91Å; R5-E41 IonicContact CZ-OE1 2.68Å; R5-E41 IonicContact NE-OE1 3.85Å; R5-E41 PolarHBondContact NE-OE1 2.89Å; R5-E41 IonicContact NH2-OE1 3.21Å; R5-E41 PolarHBondContact NH2-OE1 3.02Å; R5-E41 IonicContact NH2-OE2 3.15Å; I6-E41 PolarHBondContact N-O 3.11Å
42L98.8Very high98.3Very high50 Ų5050.6 Ų50.626%0.26228%0.284SS..EExtended strand (participates in β ladder)trans-118.2136.1-170.5-60-177.1000112.2I6 L8 E29 L32 F40 T44I6-L42 HydrophobicContact CB-CD2 3.88Å; I6-L42 HydrophobicContact CD1-CD2 4.3Å; I6-L42 HydrophobicContact CG1-CD2 4.48Å; I6-L42 WeakPolarHBondContact O-CA 3.16Å; L8-L42 HydrophobicContact CD1-CD1 3.96Å; L8-L42 HydrophobicContact CD1-CD2 4.04Å; L8-L42 HydrophobicContact CD1-CG 4.49Å; L8-L42 HydrophobicContact CG-CD2 4.27Å; E29-L42 HydrophobicContact CB-CD1 4.47Å; E29-L42 HydrophobicContact CG-CD1 3.65Å; L32-L42 HydrophobicContact CD1-CD2 4.12Å; F40-L42 HydrophobicContact CD2-CD2 3.66Å; F40-L42 HydrophobicContact CD2-CG 3.99Å; F40-L42 HydrophobicContact CE2-CD1 4.05Å; F40-L42 HydrophobicContact CE2-CD2 3.74Å; F40-L42 HydrophobicContact CE2-CG 3.82Å; L42-T44 HydrophobicContact CB-CG2 4.32Å
43E98.8Very high98.3Very high44 Ų4454.1 Ų54.121%0.20630%0.302CS..EExtended strand (participates in β ladder)trans-114.7105.4167.6-75.1-66.215800108.5I6 G7 L8 R45 L61 M65I6-E43 PolarHBondContact O-N 3.18Å; G7-E43 CarbonylContact C-O 3.48Å; G7-E43 VanDerWaalsContact CA-O 3.31Å; G7-E43 WeakPolarHBondContact CA-O 3.49Å; L8-E43 PolarHBondContact N-O 2.87Å; E43-R45 IonicContact OE2-CZ 2.78Å; E43-R45 IonicContact OE2-NH1 3.62Å; E43-R45 PolarHBondContact OE2-NH1 3.14Å; E43-R45 IonicContact OE2-NH2 2.67Å; E43-R45 PolarHBondContact OE2-NH2 3.38Å; E43-L61 HydrophobicContact CB-CD2 3.54Å; E43-L61 HydrophobicContact CG-CD2 4.42Å; E43-M65 VanDerWaalsContact CD-CE 3.43Å; E43-M65 HydrophobicContact CG-CB 4.22Å; E43-M65 HydrophobicContact CG-CE 4.25Å; E43-M65 HydrophobicContact CG-CG 4.47Å; E43-M65 WeakPolarHBondContact OE1-CE 3.2Å
44T98.6Very high98.3Very high57 Ų5749.7 Ų49.735%0.3528%0.275SS..EExtended strand (participates in β ladder)trans-101.6142.2-173.766.20000111.8L8 I25 L42L8-T44 HydrophobicContact CB-CG2 4.26Å; L8-T44 HydrophobicContact CD1-CG2 4.26Å; L8-T44 CarbonylContact O-C 3.54Å; L8-T44 WeakPolarHBondContact O-CA 3.48Å; I25-T44 HydrophobicContact CG2-CG2 3.82Å; L42-T44 HydrophobicContact CB-CG2 4.32Å
45R98.4Very high98.3Very high57 Ų5749.7 Ų49.722%0.21527%0.269CS..EExtended strand (participates in β ladder)trans-140.6131.4177.3-59.8-68.8-177.9-77.5-2109.6L8 V9 S10 E43 I47 T57 E60 L61L8-R45 PolarHBondContact O-N 2.96Å; V9-R45 WeakPolarHBondContact CA-O 3.18Å; V9-R45 HydrophobicContact CG1-CB 4.38Å; S10-R45 PolarHBondContact N-O 3.31Å; E43-R45 IonicContact OE2-CZ 2.78Å; E43-R45 IonicContact OE2-NH1 3.62Å; E43-R45 PolarHBondContact OE2-NH1 3.14Å; E43-R45 IonicContact OE2-NH2 2.67Å; E43-R45 PolarHBondContact OE2-NH2 3.38Å; R45-I47 HydrophobicContact CB-CG2 4.44Å; R45-T57 HydrophobicContact CB-CG2 3.83Å; R45-T57 HydrophobicContact CG-CG2 3.75Å; R45-E60 IonicContact CZ-OE1 3.98Å; R45-E60 IonicContact NE-OE1 2.69Å; R45-E60 PolarHBondContact NE-OE1 3.08Å; R45-E60 VanDerWaalsContact NE-OE1 3.17Å; R45-E60 IonicContact NH2-OE1 2.7Å; R45-E60 PolarHBondContact NH2-OE1 2.88Å; R45-L61 HydrophobicContact CG-CD1 4.4Å; R45-L61 HydrophobicContact CG-CD2 4.37Å
46L97.7Very high98.3Very high73 Ų7355.2 Ų55.238%0.38229%0.294SS..EExtended strand (participates in β ladder)trans-114.6115.2171.717361000108.5S10 A15 D22 I25S10-L46 WeakPolarHBondContact O-CA 3.3Å; A15-L46 HydrophobicContact CB-CD1 3.59Å; A15-L46 HydrophobicContact CB-CD2 4.19Å; A15-L46 HydrophobicContact CB-CG 4.44Å; D22-L46 HydrophobicContact CB-CD1 4.3Å; D22-L46 HydrophobicContact CB-CD2 4.24Å; I25-L46 HydrophobicContact CD1-CB 4.29Å
47I98.2Very high98.3Very high15 Ų1555 Ų558%0.07729%0.294CS..EExtended strand (participates in β ladder)trans-134.9158.2-17061.5172.2000111.9V9 S10 I11 S12 R45 I53 I54 T57V9-I47 HydrophobicContact CG1-CD1 3.55Å; V9-I47 HydrophobicContact CG1-CG1 3.79Å; S10-I47 PolarHBondContact O-N 3.42Å; I11-I47 WeakPolarHBondContact CA-O 3.34Å; I11-I47 HydrophobicContact CG1-CD1 4.19Å; I11-I47 HydrophobicContact CG1-CG1 4.05Å; I11-I47 HydrophobicContact CG2-CG1 4.47Å; S12-I47 PolarHBondContact N-O 3.03Å; R45-I47 HydrophobicContact CB-CG2 4.44Å; I47-I53 HydrophobicContact CB-CG2 4.08Å; I47-I53 HydrophobicContact CD1-CG2 4.32Å; I47-I53 HydrophobicContact CG2-CG2 4.18Å; I47-I54 HydrophobicContact CD1-CB 4.29Å; I47-I54 HydrophobicContact CD1-CG1 3.82Å; I47-T57 HydrophobicContact CD1-CG2 4.23Å
48P97.3Very high98.4Very high33 Ų3351 Ų5121%0.21427%0.269CS..  trans-74168.4173.632.4-38.2000112.5S16 E50 I53S16-P48 WeakPolarHBondContact OG-CA 3.29Å; P48-E50 HydrophobicContact CB-CG 4.19Å; P48-E50 HydrophobicContact CG-CB 4.4Å; P48-E50 HydrophobicContact CG-CG 4.06Å; P48-E50 PolarHBondContact O-N 3.03Å; P48-I53 HydrophobicContact CG-CD1 3.84Å
49D96.9Very high98.5Very high20 Ų2051 Ų5111%0.10727%0.27CS..SBendtrans-79.354.3178.4-63.4-69.8000111.4I11 S12 D13I11-D49 HydrophobicContact CG2-CB 4.47Å; I11-D49 WeakPolarHBondContact CG2-OD1 3.44Å; S12-D49 WeakPolarHBondContact CA-OD2 2.84Å; D13-D49 PolarHBondContact N-OD2 3.44Å; D13-D49 PolarHBondContact OD1-N 2.95Å
50E98.2Very high98.5Very high86 Ų8650 Ų5040%0.40226%0.259SS..  trans-113.9115.2-179.2-65.8-62.6156.300110P48 A52 I53 I54 R81P48-E50 HydrophobicContact CB-CG 4.19Å; P48-E50 HydrophobicContact CG-CB 4.4Å; P48-E50 HydrophobicContact CG-CG 4.06Å; P48-E50 PolarHBondContact O-N 3.03Å; E50-A52 VanDerWaalsContact C-N 3.35Å; E50-A52 PolarHBondContact O-N 3.34Å; E50-I53 HydrophobicContact CB-CB 4.18Å; E50-I53 HydrophobicContact CB-CD1 3.89Å; E50-I53 HydrophobicContact CB-CG1 4Å; E50-I53 HydrophobicContact CG-CD1 4.28Å; E50-I53 WeakPolarHBondContact O-CB 3.16Å; E50-I53 PolarHBondContact O-N 2.93Å; E50-I54 WeakPolarHBondContact O-CG1 3.42Å; E50-I54 PolarHBondContact O-N 2.76Å; E50-R81 IonicContact OE1-CZ 2.73Å; E50-R81 IonicContact OE1-NH1 3.67Å; E50-R81 PolarHBondContact OE1-NH1 2.9Å
51Q98.7Very high98.5Very high77 Ų7747.5 Ų47.536%0.3625%0.248SC..Hα-helixtrans-52.9-48.4-168.3-164.6-174.9-40.500112.9I53 I54 E55 V83 A87Q51-I53 VanDerWaalsContact C-N 3.29Å; Q51-I53 PolarHBondContact O-N 3.36Å; Q51-I54 PolarHBondContact O-N 3.43Å; Q51-I54 VanDerWaalsContact O-N 3.16Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.28Å; Q51-E55 PolarHBondContact NE2-OE1 2.81Å; Q51-E55 WeakPolarHBondContact O-CG 3.48Å; Q51-E55 PolarHBondContact O-N 3.07Å; Q51-V83 HydrophobicContact CB-CB 4.13Å; Q51-V83 HydrophobicContact CB-CG2 3.84Å; Q51-V83 HydrophobicContact CG-CB 4.26Å; Q51-V83 HydrophobicContact CG-CG2 4.39Å; Q51-A87 HydrophobicContact CG-CB 3.89Å
52A98.7Very high98.5Very high75 Ų7544 Ų4462%0.6223%0.232SC*.Hα-helixtrans-62.6-33.6179.900000113.2E50 Q56E50-A52 VanDerWaalsContact C-N 3.35Å; E50-A52 PolarHBondContact O-N 3.34Å; A52-Q56 WeakPolarHBondContact O-CB 3.45Å; A52-Q56 PolarHBondContact O-N 3.47Å
53I98.7Very high98.5Very high74 Ų7444 Ų4438%0.37923%0.233SC..Hα-helixtrans-71.8-40.1177.1-61-178.4000110I47 P48 E50 Q51 Q56 T57I47-I53 HydrophobicContact CB-CG2 4.08Å; I47-I53 HydrophobicContact CD1-CG2 4.32Å; I47-I53 HydrophobicContact CG2-CG2 4.18Å; P48-I53 HydrophobicContact CG-CD1 3.84Å; E50-I53 HydrophobicContact CB-CB 4.18Å; E50-I53 HydrophobicContact CB-CD1 3.89Å; E50-I53 HydrophobicContact CB-CG1 4Å; E50-I53 HydrophobicContact CG-CD1 4.28Å; E50-I53 WeakPolarHBondContact O-CB 3.16Å; E50-I53 PolarHBondContact O-N 2.93Å; Q51-I53 VanDerWaalsContact C-N 3.29Å; Q51-I53 PolarHBondContact O-N 3.36Å; I53-Q56 PolarHBondContact O-N 2.92Å; I53-T57 VanDerWaalsContact O-CB 3.31Å; I53-T57 WeakPolarHBondContact O-CB 3.34Å; I53-T57 PolarHBondContact O-N 3.14Å; I53-T57 PolarHBondContact O-OG1 3.23Å
54I98.9Very high98.5Very high0 Ų048.3 Ų48.30%025%0.253CS..Hα-helixtrans-63-49.6175.7-58.3163.7000109.8I11 I47 E50 Q51 Q56 T57 L58 V83 A87I11-I54 HydrophobicContact CD1-CD1 4.23Å; I11-I54 HydrophobicContact CD1-CG1 4.16Å; I11-I54 HydrophobicContact CD1-CG2 3.89Å; I11-I54 HydrophobicContact CG2-CD1 3.6Å; I11-I54 HydrophobicContact CG2-CG1 3.89Å; I47-I54 HydrophobicContact CD1-CB 4.29Å; I47-I54 HydrophobicContact CD1-CG1 3.82Å; E50-I54 WeakPolarHBondContact O-CG1 3.42Å; E50-I54 PolarHBondContact O-N 2.76Å; Q51-I54 PolarHBondContact O-N 3.43Å; Q51-I54 VanDerWaalsContact O-N 3.16Å; I54-Q56 PolarHBondContact O-N 3.48Å; I54-T57 PolarHBondContact O-N 2.91Å; I54-L58 HydrophobicContact CG2-CD1 4.06Å; I54-L58 HydrophobicContact CG2-CG 4.29Å; I54-L58 VanDerWaalsContact O-CG 3.3Å; I54-L58 WeakPolarHBondContact O-CG 3.37Å; I54-L58 PolarHBondContact O-N 3.36Å; I54-V83 HydrophobicContact CD1-CG2 3.95Å; I54-A87 HydrophobicContact CB-CB 3.67Å; I54-A87 HydrophobicContact CG2-CB 3.48Å; I54-A87 VanDerWaalsContact CG2-CB 3.48Å
55E98.9Very high98.5Very high55 Ų5547.8 Ų47.826%0.25725%0.247SC..Hα-helixtrans-55.7-48.4177.5-70.4177.8-150.700111.7Q51 T57 L58 C59 A87 A90 V91Q51-E55 WeakPolarHBondContact CG-OE1 3.28Å; Q51-E55 PolarHBondContact NE2-OE1 2.81Å; Q51-E55 WeakPolarHBondContact O-CG 3.48Å; Q51-E55 PolarHBondContact O-N 3.07Å; E55-T57 PolarHBondContact O-N 3.11Å; E55-L58 PolarHBondContact O-N 3.41Å; E55-C59 PolarHBondContact O-N 2.78Å; E55-C59 PolarHBondContact O-SG 3.23Å; E55-A87 HydrophobicContact CG-CB 3.66Å; E55-A90 HydrophobicContact CG-CB 4.17Å; E55-V91 HydrophobicContact CB-CG1 3.84Å; E55-V91 HydrophobicContact CG-CG1 4.01Å
56Q98.9Very high98.5Very high115 Ų11548.7 Ų48.754%0.53726%0.262SS..Hα-helixtrans-63-42.2178.8-175.76140.200111.8A52 I53 I54 C59 E60A52-Q56 WeakPolarHBondContact O-CB 3.45Å; A52-Q56 PolarHBondContact O-N 3.47Å; I53-Q56 PolarHBondContact O-N 2.92Å; I54-Q56 PolarHBondContact O-N 3.48Å; Q56-C59 PolarHBondContact O-N 2.67Å; Q56-E60 WeakPolarHBondContact O-CB 3.44Å; Q56-E60 PolarHBondContact O-N 3.25Å
57T98.9Very high98.5Very high11 Ų1145.4 Ų45.47%0.06725%0.245CC..Hα-helixtrans-65.1-42179.4-58.80000111.4V9 R45 I47 I53 I54 E55 E60 L61V9-T57 HydrophobicContact CG1-CG2 4.12Å; V9-T57 HydrophobicContact CG2-CG2 4.12Å; R45-T57 HydrophobicContact CB-CG2 3.83Å; R45-T57 HydrophobicContact CG-CG2 3.75Å; I47-T57 HydrophobicContact CD1-CG2 4.23Å; I53-T57 VanDerWaalsContact O-CB 3.31Å; I53-T57 WeakPolarHBondContact O-CB 3.34Å; I53-T57 PolarHBondContact O-N 3.14Å; I53-T57 PolarHBondContact O-OG1 3.23Å; I54-T57 PolarHBondContact O-N 2.91Å; E55-T57 PolarHBondContact O-N 3.11Å; T57-E60 PolarHBondContact O-N 2.96Å; T57-L61 HydrophobicContact CG2-CD1 4.09Å; T57-L61 WeakPolarHBondContact O-CB 3.39Å; T57-L61 VanDerWaalsContact O-CG 3.29Å; T57-L61 WeakPolarHBondContact O-CG 3.17Å; T57-L61 PolarHBondContact O-N 3.3Å
58L98.9Very high98.6Very high0 Ų047.2 Ų47.20%025%0.253CS..Hα-helixtrans-65-41.4175.9-66.7180000111.4V9 I54 E55 V62 V70 T72 V91 I129V9-L58 HydrophobicContact CG2-CD2 4.43Å; I54-L58 HydrophobicContact CG2-CD1 4.06Å; I54-L58 HydrophobicContact CG2-CG 4.29Å; I54-L58 VanDerWaalsContact O-CG 3.3Å; I54-L58 WeakPolarHBondContact O-CG 3.37Å; I54-L58 PolarHBondContact O-N 3.36Å; E55-L58 PolarHBondContact O-N 3.41Å; L58-V62 WeakPolarHBondContact O-CG2 3.36Å; L58-V62 PolarHBondContact O-N 2.75Å; L58-V62 VanDerWaalsContact O-N 3.14Å; L58-V70 HydrophobicContact CD2-CG1 3.71Å; L58-T72 HydrophobicContact CD2-CG2 3.81Å; L58-V91 HydrophobicContact CB-CG2 4.05Å; L58-V91 HydrophobicContact CD1-CG2 3.93Å; L58-I129 HydrophobicContact CD2-CG2 4.13Å
59C98.9Very high98.7Very high23 Ų2345.7 Ų45.716%0.15524%0.243CC..Hα-helixtrans-62-48.6174.2-66.40000111.4E55 Q56 L61 V62 D63E55-C59 PolarHBondContact O-N 2.78Å; E55-C59 PolarHBondContact O-SG 3.23Å; Q56-C59 PolarHBondContact O-N 2.67Å; C59-L61 PolarHBondContact O-N 3.17Å; C59-V62 PolarHBondContact O-N 2.79Å; C59-D63 WeakPolarHBondContact O-CA 3.3Å; C59-D63 WeakPolarHBondContact O-CB 3.31Å; C59-D63 PolarHBondContact O-N 3.46Å
60E98.9Very high98.8Very high52 Ų5244.7 Ų44.724%0.24324%0.238CC..Hα-helixtrans-55.1-50.7178-178.9-164.5138.500111.3R45 Q56 T57 V62 E64 M65R45-E60 IonicContact CZ-OE1 3.98Å; R45-E60 IonicContact NE-OE1 2.69Å; R45-E60 PolarHBondContact NE-OE1 3.08Å; R45-E60 VanDerWaalsContact NE-OE1 3.17Å; R45-E60 IonicContact NH2-OE1 2.7Å; R45-E60 PolarHBondContact NH2-OE1 2.88Å; Q56-E60 WeakPolarHBondContact O-CB 3.44Å; Q56-E60 PolarHBondContact O-N 3.25Å; T57-E60 PolarHBondContact O-N 2.96Å; E60-V62 VanDerWaalsContact C-N 3.34Å; E60-V62 PolarHBondContact O-N 3.34Å; E60-E64 WeakPolarHBondContact O-CA 3.4Å; E60-E64 WeakPolarHBondContact O-CB 3.44Å; E60-E64 PolarHBondContact O-N 3.29Å; E60-M65 PolarHBondContact O-N 3.11Å
61L98.9Very high98.8Very high0 Ų040.6 Ų40.60%022%0.219CC..Hα-helixtrans-61.8-40.9-177.8-72.2171.5000112.4V9 E43 R45 T57 C59 M65 S66 C67 V70V9-L61 HydrophobicContact CG2-CD1 3.35Å; E43-L61 HydrophobicContact CB-CD2 3.54Å; E43-L61 HydrophobicContact CG-CD2 4.42Å; R45-L61 HydrophobicContact CG-CD1 4.4Å; R45-L61 HydrophobicContact CG-CD2 4.37Å; T57-L61 HydrophobicContact CG2-CD1 4.09Å; T57-L61 WeakPolarHBondContact O-CB 3.39Å; T57-L61 VanDerWaalsContact O-CG 3.29Å; T57-L61 WeakPolarHBondContact O-CG 3.17Å; T57-L61 PolarHBondContact O-N 3.3Å; C59-L61 PolarHBondContact O-N 3.17Å; L61-M65 HydrophobicContact CD2-CG 4.47Å; L61-M65 CarbonylContact O-C 3.49Å; L61-M65 WeakPolarHBondContact O-CB 3.37Å; L61-S66 PolarHBondContact O-N 2.72Å; L61-C67 VanDerWaalsContact O-CB 3.29Å; L61-C67 WeakPolarHBondContact O-CB 3.33Å; L61-C67 PolarHBondContact O-N 2.99Å; L61-C67 PolarHBondContact O-SG 3.16Å; L61-C67 VanDerWaalsContact O-SG 3.34Å; L61-V70 HydrophobicContact CB-CG2 4.15Å; L61-V70 HydrophobicContact CD1-CG1 4.1Å
62V98.8Very high98.8Very high8 Ų837 Ų375%0.04820%0.201CC..Hα-helixtrans-80.4-44.2-179.1175.10000111.8L58 C59 E60 S66 V70 R124 K125 A127 I129L58-V62 WeakPolarHBondContact O-CG2 3.36Å; L58-V62 PolarHBondContact O-N 2.75Å; L58-V62 VanDerWaalsContact O-N 3.14Å; C59-V62 PolarHBondContact O-N 2.79Å; E60-V62 VanDerWaalsContact C-N 3.34Å; E60-V62 PolarHBondContact O-N 3.34Å; V62-S66 WeakPolarHBondContact O-CA 3.3Å; V62-S66 PolarHBondContact O-N 3.42Å; V62-V70 HydrophobicContact CG2-CG2 3.98Å; V62-R124 HydrophobicContact CB-CG 4.47Å; V62-R124 HydrophobicContact CG1-CB 4.19Å; V62-R124 HydrophobicContact CG1-CG 3.87Å; V62-K125 HydrophobicContact CG1-CB 4.43Å; V62-K125 HydrophobicContact CG1-CD 4.36Å; V62-A127 HydrophobicContact CB-CB 4.33Å; V62-A127 HydrophobicContact CG1-CB 3.71Å; V62-A127 HydrophobicContact CG2-CB 3.76Å; V62-I129 HydrophobicContact CG2-CD1 4.13Å; V62-I129 HydrophobicContact CG2-CG1 4.46Å
63D98.7Very high98.8Very high50 Ų5033.5 Ų33.527%0.26717%0.172SC..Hα-helixtrans-88.9-37.5-166.6-59.4-25.4000113.3C59 R124 K125C59-D63 WeakPolarHBondContact O-CA 3.3Å; C59-D63 WeakPolarHBondContact O-CB 3.31Å; C59-D63 PolarHBondContact O-N 3.46Å; D63-R124 IonicContact OD1-CZ 3.8Å; D63-R124 IonicContact OD1-NE 3.15Å; D63-R124 PolarHBondContact OD1-NE 3.21Å; D63-R124 VanDerWaalsContact OD1-NE 3.15Å; D63-R124 IonicContact OD1-NH2 3.66Å; D63-R124 IonicContact OD2-CZ 3.43Å; D63-R124 IonicContact OD2-NE 3.34Å; D63-R124 PolarHBondContact OD2-NE 2.72Å; D63-R124 IonicContact OD2-NH2 2.68Å; D63-R124 PolarHBondContact OD2-NH2 2.95Å; D63-K125 VanDerWaalsContact CB-NZ 3.34Å; D63-K125 WeakPolarHBondContact OD1-CD 3.47Å; D63-K125 WeakPolarHBondContact OD1-CE 3.46Å; D63-K125 IonicContact OD1-NZ 2.73Å; D63-K125 PolarHBondContact OD1-NZ 3.12Å
64E98.6Very high98.7Very high133 Ų13330.5 Ų30.562%0.62116%0.16SC*.THydrogen-bonded Turntrans-103.1-45.7-174.4-57.7179-144.500110E60 S66E60-E64 WeakPolarHBondContact O-CA 3.4Å; E60-E64 WeakPolarHBondContact O-CB 3.44Å; E60-E64 PolarHBondContact O-N 3.29Å; E64-S66 VanDerWaalsContact C-N 3.34Å
65M98.5Very high98.6Very high47 Ų4731 Ų3123%0.23217%0.165CC..SBendtrans-82.8-12.3179.1-52.1-49.6-68.700112.7R5 E43 E60 L61 C67R5-M65 WeakPolarHBondContact CD-O 3.36Å; R5-M65 PolarHBondContact NE-O 2.93Å; R5-M65 PolarHBondContact NH1-O 3.32Å; E43-M65 VanDerWaalsContact CD-CE 3.43Å; E43-M65 HydrophobicContact CG-CB 4.22Å; E43-M65 HydrophobicContact CG-CE 4.25Å; E43-M65 HydrophobicContact CG-CG 4.47Å; E43-M65 WeakPolarHBondContact OE1-CE 3.2Å; E60-M65 PolarHBondContact O-N 3.11Å; L61-M65 HydrophobicContact CD2-CG 4.47Å; L61-M65 CarbonylContact O-C 3.49Å; L61-M65 WeakPolarHBondContact O-CB 3.37Å; M65-C67 VanDerWaalsContact C-N 3.28Å; M65-C67 PolarHBondContact O-N 3.48Å
66S98.2Very high98.6Very high75 Ų7529 Ų2952%0.52416%0.156SC..  trans57.138.2179.2-53.50000113.3L61 V62 E64L61-S66 PolarHBondContact O-N 2.72Å; V62-S66 WeakPolarHBondContact O-CA 3.3Å; V62-S66 PolarHBondContact O-N 3.42Å; E64-S66 VanDerWaalsContact C-N 3.34Å
67C98.8Very high98.5Very high4 Ų424.1 Ų24.13%0.02714%0.138CC..  trans-63135.9171.9-68.20000110.6R5 G7 L61 M65 V70 A127R5-C67 HydrophobicContact CG-CB 4.47Å; G7-C67 PolarHBondContact N-SG 2.9Å; L61-C67 VanDerWaalsContact O-CB 3.29Å; L61-C67 WeakPolarHBondContact O-CB 3.33Å; L61-C67 PolarHBondContact O-N 2.99Å; L61-C67 PolarHBondContact O-SG 3.16Å; L61-C67 VanDerWaalsContact O-SG 3.34Å; M65-C67 VanDerWaalsContact C-N 3.28Å; M65-C67 PolarHBondContact O-N 3.48Å; C67-V70 HydrophobicContact CB-CG2 4.01Å; C67-A127 WeakPolarHBondContact O-CB 3.32Å
68H98.8Very high98.5Very high54 Ų5428.1 Ų28.125%0.2516%0.164CC..SBendtrans-86.3-25175.1-48.189.3000111.9L4 R5 A127 L128 P172L4-H68 HydrophobicContact CD1-CB 3.73Å; R5-H68 PolarHBondContact N-ND1 3.31Å; R5-H68 VanDerWaalsContact N-ND1 3.14Å; R5-H68 PolarHBondContact O-N 3.03Å; H68-A127 WeakPolarHBondContact O-CA 3.48Å; H68-L128 PolarHBondContact O-N 3.17Å; H68-P172 WeakPolarHBondContact CD2-CD 3.29Å
69L98.9Very high98.4Very high0 Ų030.7 Ų30.70%019%0.185CC..EExtended strand (participates in β ladder)trans-136.1136.7179.2177.865.1000108.3I6 G7 L71 L128 F159 V162 I166I6-L69 CarbonylContact C-O 3.52Å; I6-L69 VanDerWaalsContact CA-O 3.26Å; I6-L69 WeakPolarHBondContact CA-O 3.49Å; I6-L69 HydrophobicContact CG1-CB 4.49Å; I6-L69 HydrophobicContact CG2-CB 4.22Å; I6-L69 HydrophobicContact CG2-CD2 4.11Å; I6-L69 HydrophobicContact CG2-CG 4.13Å; G7-L69 PolarHBondContact N-O 2.94Å; L69-L71 HydrophobicContact CD1-CD2 3.87Å; L69-L71 HydrophobicContact CD2-CD1 4.31Å; L69-L71 HydrophobicContact CD2-CD2 4.12Å; L69-L71 HydrophobicContact CD2-CG 4.15Å; L69-L71 HydrophobicContact CG-CD2 4.01Å; L69-L71 HydrophobicContact CG-CG 4.12Å; L69-L128 CarbonylContact C-O 3.49Å; L69-L128 VanDerWaalsContact CA-O 3.32Å; L69-L128 WeakPolarHBondContact CA-O 3.26Å; L69-L128 HydrophobicContact CD1-CB 4.06Å; L69-L128 HydrophobicContact CD1-CD2 4Å; L69-L128 HydrophobicContact CD1-CG 4.07Å; L69-F159 HydrophobicContact CD2-CE2 3.94Å; L69-F159 HydrophobicContact CD2-CZ 4.45Å; L69-V162 HydrophobicContact CD1-CG1 4.18Å; L69-V162 HydrophobicContact CD2-CG1 4.05Å; L69-I166 HydrophobicContact CB-CD1 4.29Å
70V99Very high98.3Very high0 Ų041.5 Ų41.50%022%0.223CC..EExtended strand (participates in β ladder)trans-124.7126.7168.2-178.30000108.9G7 V9 L58 L61 V62 C67 T72 L128 I129 L130G7-V70 CarbonylContact O-C 3.51Å; G7-V70 VanDerWaalsContact O-CA 3.27Å; G7-V70 WeakPolarHBondContact O-CA 3.15Å; V9-V70 HydrophobicContact CG2-CG1 4.07Å; L58-V70 HydrophobicContact CD2-CG1 3.71Å; L61-V70 HydrophobicContact CB-CG2 4.15Å; L61-V70 HydrophobicContact CD1-CG1 4.1Å; V62-V70 HydrophobicContact CG2-CG2 3.98Å; C67-V70 HydrophobicContact CB-CG2 4.01Å; V70-T72 HydrophobicContact CG1-CG2 4.4Å; V70-L128 PolarHBondContact N-O 2.93Å; V70-I129 HydrophobicContact CB-CB 4.44Å; V70-I129 HydrophobicContact CB-CG1 4.16Å; V70-I129 HydrophobicContact CB-CG2 4.13Å; V70-I129 HydrophobicContact CG1-CG2 4.3Å; V70-I129 WeakPolarHBondContact O-CA 3.09Å; V70-L130 PolarHBondContact O-N 3.07Å
71L98.9Very high98.2Very high0 Ų044.9 Ų44.90%023%0.233CC..EExtended strand (participates in β ladder)trans-113.2117.5175.8-58.1-178.5000108.5G7 L8 V9 L28 L32 L69 L130 L132G7-L71 PolarHBondContact O-N 3.04Å; L8-L71 WeakPolarHBondContact CA-O 3.27Å; L8-L71 HydrophobicContact CD2-CB 4.06Å; L8-L71 HydrophobicContact CD2-CD1 4.3Å; L8-L71 HydrophobicContact CD2-CG 4.46Å; V9-L71 PolarHBondContact N-O 3.14Å; L28-L71 HydrophobicContact CD1-CB 4.44Å; L28-L71 HydrophobicContact CD2-CB 4.37Å; L28-L71 HydrophobicContact CD2-CD1 4.07Å; L32-L71 HydrophobicContact CD1-CD1 4.4Å; L32-L71 HydrophobicContact CD2-CD1 4.39Å; L69-L71 HydrophobicContact CD1-CD2 3.87Å; L69-L71 HydrophobicContact CD2-CD1 4.31Å; L69-L71 HydrophobicContact CD2-CD2 4.12Å; L69-L71 HydrophobicContact CD2-CG 4.15Å; L69-L71 HydrophobicContact CG-CD2 4.01Å; L69-L71 HydrophobicContact CG-CG 4.12Å; L71-L130 HydrophobicContact CD2-CB 3.95Å; L71-L130 HydrophobicContact CD2-CD1 4.15Å; L71-L130 HydrophobicContact CD2-CG 4.36Å; L71-L132 HydrophobicContact CB-CD1 4.07Å; L71-L132 HydrophobicContact CD1-CD1 4.29Å; L71-L132 HydrophobicContact CD2-CD1 4.26Å; L71-L132 HydrophobicContact CG-CD1 4.44Å
72T98.9Very high98.2Very high0 Ų046.7 Ų46.70%024%0.243CC..EExtended strand (participates in β ladder)trans-98.9152.817377.10000110.6V9 I11 L58 V70 T84 L130 N131 L132V9-T72 HydrophobicContact CB-CG2 4.15Å; V9-T72 HydrophobicContact CG2-CG2 4.49Å; V9-T72 CarbonylContact O-C 3.54Å; V9-T72 VanDerWaalsContact O-CA 3.27Å; V9-T72 WeakPolarHBondContact O-CA 3.26Å; I11-T72 HydrophobicContact CD1-CG2 4.31Å; L58-T72 HydrophobicContact CD2-CG2 3.81Å; V70-T72 HydrophobicContact CG1-CG2 4.4Å; T72-T84 WeakPolarHBondContact OG1-CG2 3.3Å; T72-L130 PolarHBondContact N-O 3.47Å; T72-N131 WeakPolarHBondContact OG1-CA 3.38Å; T72-N131 PolarHBondContact OG1-ND2 3.23Å; T72-L132 WeakPolarHBondContact O-CA 3.48Å; T72-L132 VanDerWaalsContact O-CB 3.26Å; T72-L132 WeakPolarHBondContact O-CB 3.31Å; T72-L132 PolarHBondContact O-N 2.94Å
73T98.6Very high98.1Very high2 Ų247.4 Ų47.41%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-138.6130.6174.6176.80000110.3V9 I11 L28 P133 G134 I139V9-T73 PolarHBondContact O-N 3.2Å; I11-T73 PolarHBondContact N-O 3.33Å; L28-T73 HydrophobicContact CD1-CG2 3.96Å; T73-P133 PolarHBondContact OG1-O 2.99Å; T73-G134 WeakPolarHBondContact OG1-CA 3.38Å; T73-I139 WeakPolarHBondContact OG1-CD1 3.07Å
74G97Very high98.2Very high11 Ų1145 Ų4511%0.11323%0.234CC..SBendtrans102.7169.1-176.900000114T76 T84 L132G74-T76 WeakPolarHBondContact O-CG2 3.24Å; G74-T76 PolarHBondContact O-N 3.45Å; G74-T84 PolarHBondContact O-OG1 3.05Å; G74-L132 PolarHBondContact N-O 2.84Å
75G97.3Very high98.2Very high10 Ų1038.8 Ų38.810%0.10321%0.205CC..  trans60.229.3171.800000117.4D82 V83 T84 P85G75-D82 CarbonylContact O-C 3.2Å; G75-D82 WeakPolarHBondContact O-CA 3.19Å; G75-D82 WeakPolarHBondContact O-CB 3.24Å; G75-V83 PolarHBondContact O-N 3.4Å; G75-T84 VanDerWaalsContact O-CB 3.24Å; G75-T84 WeakPolarHBondContact O-CB 3.03Å; G75-T84 PolarHBondContact O-N 2.73Å; G75-T84 PolarHBondContact O-OG1 3.13Å; G75-P85 WeakPolarHBondContact O-CD 3.48Å
76T98.3Very high98.2Very high13 Ų1339.1 Ų39.18%0.0821%0.208CC..  trans-111.23.8-177.362.10000115.7G74 T84 P85 S117 R118 Q119 N131G74-T76 WeakPolarHBondContact O-CG2 3.24Å; G74-T76 PolarHBondContact O-N 3.45Å; T76-T84 HydrophobicContact CG2-CG2 4.38Å; T76-P85 HydrophobicContact CG2-CG 4.09Å; T76-S117 WeakPolarHBondContact O-CA 3.29Å; T76-S117 PolarHBondContact OG1-OG 3.5Å; T76-R118 PolarHBondContact O-N 3.13Å; T76-Q119 HydrophobicContact CG2-CB 4.27Å; T76-N131 HydrophobicContact CG2-CB 3.8Å
77G97.5Very high98.2Very high14 Ų1435.5 Ų35.514%0.14418%0.183CC..SBendtrans-81.6-166.3-179.300000114D82G77-D82 WeakPolarHBondContact CA-OD2 3.09Å; G77-D82 PolarHBondContact N-OD2 2.92Å; G77-D82 WeakPolarHBondContact O-CB 3.33Å
78P97.9Very high98.2Very high95 Ų9535.3 Ų35.362%0.61718%0.182SC*.SBendtrans-88.1-2.9-178.735.5-36.6000113.7L116P78-L116 HydrophobicContact CG-CB 4.36Å
79A97.3Very high98.2Very high54 Ų5435.9 Ų35.945%0.44619%0.186SC..SBendtrans-69.2151.2-177.900000110.9R81 D82A79-R81 PolarHBondContact O-N 2.87Å; A79-R81 VanDerWaalsContact O-N 3.11Å; A79-D82 WeakPolarHBondContact O-CB 3.23Å; A79-D82 PolarHBondContact O-N 2.73Å
80R96.9Very high98.2Very high250 Ų25038.8 Ų38.894%0.94321%0.21SC*.THydrogen-bonded Turntrans-59.9-25.1-179.8-69.7-175.3178.6-176.8-0.8114.2D82R80-D82 VanDerWaalsContact C-N 3.33Å
81R96.5Very high98.2Very high122 Ų12239.1 Ų39.146%0.4621%0.212SC..THydrogen-bonded Turntrans-79.3-17.4177-76.4-71.3-125.4166.13.9112.7D13 E50 A79 V83D13-R81 IonicContact OD1-NH2 3.31Å; D13-R81 IonicContact OD2-CZ 3.17Å; D13-R81 IonicContact OD2-NE 3.37Å; D13-R81 PolarHBondContact OD2-NE 2.93Å; D13-R81 IonicContact OD2-NH1 3.3Å; D13-R81 IonicContact OD2-NH2 3.06Å; D13-R81 PolarHBondContact OD2-NH2 3.2Å; E50-R81 IonicContact OE1-CZ 2.73Å; E50-R81 IonicContact OE1-NH1 3.67Å; E50-R81 PolarHBondContact OE1-NH1 2.9Å; A79-R81 PolarHBondContact O-N 2.87Å; A79-R81 VanDerWaalsContact O-N 3.11Å; R81-V83 PolarHBondContact O-N 3.49Å
82D97.8Very high98.2Very high38 Ų3840.4 Ų40.420%0.20322%0.223CC..  trans-84.983.9-173.1-69.616.9000109.8G75 G77 A79 R80 R118G75-D82 CarbonylContact O-C 3.2Å; G75-D82 WeakPolarHBondContact O-CA 3.19Å; G75-D82 WeakPolarHBondContact O-CB 3.24Å; G77-D82 WeakPolarHBondContact CA-OD2 3.09Å; G77-D82 PolarHBondContact N-OD2 2.92Å; G77-D82 WeakPolarHBondContact O-CB 3.33Å; A79-D82 WeakPolarHBondContact O-CB 3.23Å; A79-D82 PolarHBondContact O-N 2.73Å; R80-D82 VanDerWaalsContact C-N 3.33Å; D82-R118 PolarHBondContact O-NH1 3.26Å
83V98.7Very high98.2Very high24 Ų2445.6 Ų45.615%0.14525%0.251CS..  trans-109.39.4-173-62.90000113.9Q51 I54 G75 R81 D86 A87Q51-V83 HydrophobicContact CB-CB 4.13Å; Q51-V83 HydrophobicContact CB-CG2 3.84Å; Q51-V83 HydrophobicContact CG-CB 4.26Å; Q51-V83 HydrophobicContact CG-CG2 4.39Å; I54-V83 HydrophobicContact CD1-CG2 3.95Å; G75-V83 PolarHBondContact O-N 3.4Å; R81-V83 PolarHBondContact O-N 3.49Å; V83-D86 WeakPolarHBondContact CA-OD2 3.43Å; V83-D86 PolarHBondContact O-N 3.13Å; V83-A87 PolarHBondContact O-N 3.17Å
84T98.8Very high98.2Very high0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-61.4-45.5-178.9-63.60000112.5I11 T72 G74 G75 T76 D86 A87 T88 N131I11-T84 HydrophobicContact CD1-CG2 3.43Å; I11-T84 VanDerWaalsContact CD1-CG2 3.43Å; I11-T84 WeakPolarHBondContact CD1-OG1 3.46Å; T72-T84 WeakPolarHBondContact OG1-CG2 3.3Å; G74-T84 PolarHBondContact O-OG1 3.05Å; G75-T84 VanDerWaalsContact O-CB 3.24Å; G75-T84 WeakPolarHBondContact O-CB 3.03Å; G75-T84 PolarHBondContact O-N 2.73Å; G75-T84 PolarHBondContact O-OG1 3.13Å; T76-T84 HydrophobicContact CG2-CG2 4.38Å; T84-D86 VanDerWaalsContact C-N 3.33Å; T84-D86 PolarHBondContact O-N 3.09Å; T84-A87 PolarHBondContact O-N 3.3Å; T84-T88 WeakPolarHBondContact O-CB 3.36Å; T84-T88 PolarHBondContact O-N 3.47Å; T84-T88 PolarHBondContact O-OG1 2.85Å; T84-N131 HydrophobicContact CG2-CB 4.43Å
85P98.9Very high98.3Very high1 Ų159.1 Ų59.11%0.00630%0.303CS..Hα-helixtrans-64.3-36.5176.5-24.837.8000113G75 T76 T88 L89 R118 V120G75-P85 WeakPolarHBondContact O-CD 3.48Å; T76-P85 HydrophobicContact CG2-CG 4.09Å; P85-T88 PolarHBondContact O-N 3.43Å; P85-L89 WeakPolarHBondContact O-CG 3.46Å; P85-L89 PolarHBondContact O-N 2.93Å; P85-R118 HydrophobicContact CB-CB 4.21Å; P85-R118 WeakPolarHBondContact CB-O 3.36Å; P85-R118 HydrophobicContact CG-CB 3.79Å; P85-R118 VanDerWaalsContact CG-O 3.32Å; P85-R118 WeakPolarHBondContact CG-O 3.4Å; P85-V120 HydrophobicContact CB-CG2 4.5Å
86D98.9Very high98.4Very high54 Ų5461.5 Ų61.529%0.28931%0.312SS..Hα-helixtrans-63.2-49.2177.7-51.4-92.9000110.9V83 T84 T88 L89 A90 R118V83-D86 WeakPolarHBondContact CA-OD2 3.43Å; V83-D86 PolarHBondContact O-N 3.13Å; T84-D86 VanDerWaalsContact C-N 3.33Å; T84-D86 PolarHBondContact O-N 3.09Å; D86-T88 VanDerWaalsContact C-N 3.31Å; D86-T88 PolarHBondContact O-N 2.91Å; D86-L89 PolarHBondContact O-N 2.94Å; D86-A90 WeakPolarHBondContact O-CB 3.34Å; D86-A90 PolarHBondContact O-N 3.4Å; D86-R118 IonicContact OD1-CZ 2.72Å; D86-R118 IonicContact OD1-NH1 3.01Å; D86-R118 IonicContact OD1-NH2 3.78Å; D86-R118 PolarHBondContact OD1-NH2 2.73Å; D86-R118 IonicContact OD2-CZ 3.78Å; D86-R118 VanDerWaalsContact OD2-CZ 3.31Å; D86-R118 IonicContact OD2-NH1 2.75Å; D86-R118 PolarHBondContact OD2-NH1 3.49Å; D86-R118 IonicContact OD2-NH2 3.7Å; D86-R118 PolarHBondContact OD2-NH2 2.94Å
87A98.9Very high98.4Very high0 Ų064.8 Ų64.80%033%0.334CS..Hα-helixtrans-60.5-40.6174.600000112.1Q51 I54 E55 V83 T84 A90 V91Q51-A87 HydrophobicContact CG-CB 3.89Å; I54-A87 HydrophobicContact CB-CB 3.67Å; I54-A87 HydrophobicContact CG2-CB 3.48Å; I54-A87 VanDerWaalsContact CG2-CB 3.48Å; E55-A87 HydrophobicContact CG-CB 3.66Å; V83-A87 PolarHBondContact O-N 3.17Å; T84-A87 PolarHBondContact O-N 3.3Å; A87-A90 PolarHBondContact O-N 3.02Å; A87-V91 PolarHBondContact O-N 3.31Å
88T99Very high98.5Very high0 Ų066 Ų660%035%0.346CS..Hα-helixtrans-64.8-41.6179.7-58.10000111.5T84 P85 D86 V91 A92 V120 V122 I129 N131T84-T88 WeakPolarHBondContact O-CB 3.36Å; T84-T88 PolarHBondContact O-N 3.47Å; T84-T88 PolarHBondContact O-OG1 2.85Å; P85-T88 PolarHBondContact O-N 3.43Å; D86-T88 VanDerWaalsContact C-N 3.31Å; D86-T88 PolarHBondContact O-N 2.91Å; T88-V91 WeakPolarHBondContact O-CG2 3.32Å; T88-A92 PolarHBondContact O-N 2.88Å; T88-V120 HydrophobicContact CG2-CG2 3.69Å; T88-V122 HydrophobicContact CG2-CB 4.44Å; T88-V122 HydrophobicContact CG2-CG1 4.12Å; T88-V122 HydrophobicContact CG2-CG2 3.46Å; T88-V122 VanDerWaalsContact CG2-CG2 3.46Å; T88-I129 HydrophobicContact CG2-CB 4.46Å; T88-I129 HydrophobicContact CG2-CG2 3.97Å; T88-N131 PolarHBondContact OG1-ND2 2.82Å; T88-N131 PolarHBondContact OG1-OD1 2.9Å
89L98.9Very high98.5Very high65 Ų6562.2 Ų62.234%0.3432%0.32SS..Hα-helixtrans-69-37.4175.3-71.6169.3000112.1P85 D86 V91 A92 E95 V120 V122P85-L89 WeakPolarHBondContact O-CG 3.46Å; P85-L89 PolarHBondContact O-N 2.93Å; D86-L89 PolarHBondContact O-N 2.94Å; L89-V91 PolarHBondContact O-N 3.06Å; L89-A92 WeakPolarHBondContact O-CB 3.22Å; L89-A92 PolarHBondContact O-N 3.04Å; L89-E95 HydrophobicContact CD2-CG 3.8Å; L89-V120 HydrophobicContact CD1-CG1 4.41Å; L89-V120 HydrophobicContact CD2-CG1 4.36Å; L89-V120 HydrophobicContact CD2-CG2 4.39Å; L89-V120 HydrophobicContact CG-CG1 4.42Å; L89-V120 HydrophobicContact CG-CG2 4.26Å; L89-V122 HydrophobicContact CD2-CG1 4.04Å
90A98.9Very high98.6Very high61 Ų6159.8 Ų59.850%0.50430%0.301SS..Hα-helixtrans-61.8-29.3-179.500000113.4E55 D86 A87E55-A90 HydrophobicContact CG-CB 4.17Å; D86-A90 WeakPolarHBondContact O-CB 3.34Å; D86-A90 PolarHBondContact O-N 3.4Å; A87-A90 PolarHBondContact O-N 3.02Å
91V98.9Very high98.7Very high7 Ų753.1 Ų53.14%0.04228%0.28CS..THydrogen-bonded Turntrans-98.50.9179.4-55.40000113.9E55 L58 A87 T88 L89 R124 I129E55-V91 HydrophobicContact CB-CG1 3.84Å; E55-V91 HydrophobicContact CG-CG1 4.01Å; L58-V91 HydrophobicContact CB-CG2 4.05Å; L58-V91 HydrophobicContact CD1-CG2 3.93Å; A87-V91 PolarHBondContact O-N 3.31Å; T88-V91 WeakPolarHBondContact O-CG2 3.32Å; L89-V91 PolarHBondContact O-N 3.06Å; V91-R124 WeakPolarHBondContact O-CD 3.18Å; V91-R124 WeakPolarHBondContact O-CG 3.45Å; V91-R124 PolarHBondContact O-NH1 2.78Å; V91-I129 HydrophobicContact CG2-CD1 4.37Å
92A98.9Very high98.8Very high27 Ų2751.4 Ų51.422%0.22328%0.277CS..  trans-79139.5-174.600000112.8T88 L89 V122T88-A92 PolarHBondContact O-N 2.88Å; L89-A92 WeakPolarHBondContact O-CB 3.22Å; L89-A92 PolarHBondContact O-N 3.04Å; A92-V122 HydrophobicContact CB-CB 3.63Å; A92-V122 HydrophobicContact CB-CG1 3.79Å; A92-V122 HydrophobicContact CB-CG2 3.95Å
93D98.8Very high98.8Very high110 Ų11049.6 Ų49.659%0.58827%0.268SS*.SBendtrans-88.5-29.9164.9-64.1-41.4000111.3I123 K125D93-I123 PolarHBondContact N-O 2.88Å; D93-K125 PolarHBondContact OD2-N 2.96Å
94R98.6Very high98.8Very high170 Ų17051.6 Ų51.664%0.64227%0.273SS*.EExtended strand (participates in β ladder)trans-150.5136.2179.3178.2179.4-63.9174.72.4111.6V122 I123R94-V122 CarbonylContact O-C 3.55Å; R94-V122 WeakPolarHBondContact O-CA 3.4Å; R94-I123 HydrophobicContact CB-CB 4.37Å; R94-I123 PolarHBondContact N-O 3.25Å; R94-I123 VanDerWaalsContact N-O 3.14Å; R94-I123 PolarHBondContact O-N 2.9Å
95E98.8Very high98.8Very high127 Ų12756.8 Ų56.859%0.59330%0.297SS*.EExtended strand (participates in β ladder)trans-83.1148.8172.7-63.9179.7-12200112.6L89L89-E95 HydrophobicContact CD2-CG 3.8Å
96M98.8Very high98.8Very high59 Ų5956.7 Ų56.729%0.29130%0.296SS..  trans-123.977.5175.1-66.7-67.5-69.500109.5G98 F99 G121 I123M96-G98 PolarHBondContact O-N 3.11Å; M96-G98 VanDerWaalsContact O-N 3.11Å; M96-F99 HydrophobicContact CB-CD2 3.53Å; M96-F99 HydrophobicContact CB-CE2 4.09Å; M96-F99 HydrophobicContact CE-CE2 4.14Å; M96-F99 HydrophobicContact CG-CD2 4.3Å; M96-F99 HydrophobicContact CG-CE2 4.41Å; M96-F99 PolarHBondContact O-N 2.89Å; M96-G121 WeakPolarHBondContact CA-O 3.41Å; M96-G121 WeakPolarHBondContact CB-O 3.21Å; M96-G121 PolarHBondContact N-O 3.49Å; M96-I123 HydrophobicContact CG-CD1 3.87Å; M96-I123 HydrophobicContact CG-CG1 4.07Å; M96-I123 HydrophobicContact SD-CD1 3.76Å
97P98.7Very high98.8Very high82 Ų8254.8 Ų54.853%0.53229%0.287SS..Hα-helixtrans-57.5-34.3-168.420.8-33.2000113.6F99 G100 E101P97-F99 PolarHBondContact O-N 3.4Å; P97-F99 VanDerWaalsContact O-N 3.13Å; P97-G100 PolarHBondContact O-N 3.07Å; P97-G100 VanDerWaalsContact O-N 3.13Å; P97-E101 WeakPolarHBondContact O-CG 3.31Å; P97-E101 PolarHBondContact O-N 3.11Å
98G98.8Very high98.7Very high39 Ų3957.9 Ų57.940%0.40230%0.303SS..Hα-helixtrans-58.1-26.9178.200000114.3M96 Q102M96-G98 PolarHBondContact O-N 3.11Å; M96-G98 VanDerWaalsContact O-N 3.11Å; G98-Q102 WeakPolarHBondContact O-CB 3.45Å; G98-Q102 PolarHBondContact O-N 2.68Å
99F98.9Very high98.7Very high17 Ų1763 Ų638%0.07533%0.327CS..Hα-helixtrans-68.6-50.8174.6-80.1-64.2000111.6M96 P97 E101 Q102 M103 L128 L130 I158 V162M96-F99 HydrophobicContact CB-CD2 3.53Å; M96-F99 HydrophobicContact CB-CE2 4.09Å; M96-F99 HydrophobicContact CE-CE2 4.14Å; M96-F99 HydrophobicContact CG-CD2 4.3Å; M96-F99 HydrophobicContact CG-CE2 4.41Å; M96-F99 PolarHBondContact O-N 2.89Å; P97-F99 PolarHBondContact O-N 3.4Å; P97-F99 VanDerWaalsContact O-N 3.13Å; F99-E101 VanDerWaalsContact C-N 3.34Å; F99-E101 PolarHBondContact O-N 3.03Å; F99-Q102 PolarHBondContact O-N 2.6Å; F99-M103 HydrophobicContact CB-CE 4.29Å; F99-M103 WeakPolarHBondContact O-CB 3.24Å; F99-M103 WeakPolarHBondContact O-CE 3.5Å; F99-M103 WeakPolarHBondContact O-CG 3.43Å; F99-M103 PolarHBondContact O-N 3.29Å; F99-L128 HydrophobicContact CD2-CD1 4.16Å; F99-L128 HydrophobicContact CE2-CD1 3.58Å; F99-L128 HydrophobicContact CE2-CD2 4.13Å; F99-L128 HydrophobicContact CZ-CD1 4.16Å; F99-L128 HydrophobicContact CZ-CD2 3.84Å; F99-L130 HydrophobicContact CB-CD2 3.97Å; F99-L130 HydrophobicContact CD1-CD1 4.34Å; F99-L130 HydrophobicContact CD1-CD2 3.64Å; F99-L130 HydrophobicContact CD2-CD2 3.73Å; F99-L130 HydrophobicContact CE1-CD1 4.25Å; F99-L130 HydrophobicContact CE1-CD2 4.02Å; F99-L130 HydrophobicContact CE2-CD2 4.11Å; F99-L130 HydrophobicContact CG-CD2 3.51Å; F99-L130 HydrophobicContact CZ-CD2 4.25Å; F99-I158 HydrophobicContact CD1-CD1 3.72Å; F99-I158 HydrophobicContact CD1-CG1 3.49Å; F99-I158 VanDerWaalsContact CD1-CG1 3.49Å; F99-I158 HydrophobicContact CE1-CD1 4.33Å; F99-I158 HydrophobicContact CE1-CG1 3.92Å; F99-V162 HydrophobicContact CE1-CG2 4.38Å
100G98.6Very high98.6Very high3 Ų363.2 Ų63.23%0.03133%0.325CS..Hα-helixtrans-63.2-42179.300000112.1P97 R104 Q119P97-G100 PolarHBondContact O-N 3.07Å; P97-G100 VanDerWaalsContact O-N 3.13Å; G100-R104 WeakPolarHBondContact O-CG 3.38Å; G100-R104 PolarHBondContact O-N 3.04Å; G100-R104 PolarHBondContact O-NE 3.38Å; G100-R104 PolarHBondContact O-NH1 3.29Å; G100-R104 PolarHBondContact O-NH2 3.45Å; G100-Q119 WeakPolarHBondContact CA-O 3.42Å
101E98.8Very high98.5Very high110 Ų11063.2 Ų63.251%0.51432%0.319SS..Hα-helixtrans-59.2-53.7175.5-70.1164.6-172.400111.5P97 F99 R104 Q105P97-E101 WeakPolarHBondContact O-CG 3.31Å; P97-E101 PolarHBondContact O-N 3.11Å; F99-E101 VanDerWaalsContact C-N 3.34Å; F99-E101 PolarHBondContact O-N 3.03Å; E101-R104 PolarHBondContact O-N 3.42Å; E101-Q105 WeakPolarHBondContact O-CG 3.26Å; E101-Q105 PolarHBondContact O-N 3.33Å; E101-Q105 VanDerWaalsContact O-N 3.09Å
102Q98.7Very high98.4Very high86 Ų8668.2 Ų68.240%0.40235%0.351SS..Hα-helixtrans-73.3-34.5-173.1-168.764.7100112.9G98 F99 R104 Q105 I106 I158G98-Q102 WeakPolarHBondContact O-CB 3.45Å; G98-Q102 PolarHBondContact O-N 2.68Å; F99-Q102 PolarHBondContact O-N 2.6Å; Q102-R104 VanDerWaalsContact C-N 3.29Å; Q102-R104 PolarHBondContact O-N 3.01Å; Q102-Q105 PolarHBondContact O-N 2.78Å; Q102-I106 HydrophobicContact CG-CD1 4.02Å; Q102-I106 HydrophobicContact CG-CG1 4.37Å; Q102-I106 VanDerWaalsContact O-CG1 3.3Å; Q102-I106 WeakPolarHBondContact O-CG1 3.3Å; Q102-I106 PolarHBondContact O-N 3.18Å; Q102-I158 HydrophobicContact CB-CD1 3.85Å; Q102-I158 HydrophobicContact CG-CD1 4.04Å
103M98.8Very high98.3Very high0 Ų071.2 Ų71.20%037%0.367CS..Hα-helixtrans-62.5-37.8174.4-69.7-173.1-70.700111.7F99 S107 Q119 L132 T142 I158F99-M103 HydrophobicContact CB-CE 4.29Å; F99-M103 WeakPolarHBondContact O-CB 3.24Å; F99-M103 WeakPolarHBondContact O-CE 3.5Å; F99-M103 WeakPolarHBondContact O-CG 3.43Å; F99-M103 PolarHBondContact O-N 3.29Å; M103-S107 VanDerWaalsContact O-CB 3.26Å; M103-S107 WeakPolarHBondContact O-CB 3.37Å; M103-S107 PolarHBondContact O-N 3.19Å; M103-S107 PolarHBondContact O-OG 3.09Å; M103-Q119 HydrophobicContact CB-CG 4.32Å; M103-Q119 HydrophobicContact CE-CB 4.15Å; M103-Q119 HydrophobicContact CE-CG 3.87Å; M103-L132 HydrophobicContact SD-CD2 3.94Å; M103-T142 HydrophobicContact CB-CG2 3.94Å; M103-T142 HydrophobicContact CG-CG2 3.66Å; M103-T142 HydrophobicContact SD-CG2 3.97Å; M103-I158 HydrophobicContact CG-CB 4.04Å; M103-I158 HydrophobicContact CG-CD1 3.81Å; M103-I158 HydrophobicContact CG-CG1 3.65Å; M103-I158 HydrophobicContact CG-CG2 4.32Å; M103-I158 HydrophobicContact SD-CG1 4.39Å
104R98.7Very high98.3Very high66 Ų6666.4 Ų66.425%0.24934%0.343CS..Hα-helixtrans-65.3-42.4171.9-74.4-174-70.9-83.4-1112.2G100 E101 Q102 S107 L108 S117 Q119G100-R104 WeakPolarHBondContact O-CG 3.38Å; G100-R104 PolarHBondContact O-N 3.04Å; G100-R104 PolarHBondContact O-NE 3.38Å; G100-R104 PolarHBondContact O-NH1 3.29Å; G100-R104 PolarHBondContact O-NH2 3.45Å; E101-R104 PolarHBondContact O-N 3.42Å; Q102-R104 VanDerWaalsContact C-N 3.29Å; Q102-R104 PolarHBondContact O-N 3.01Å; R104-S107 PolarHBondContact O-N 2.9Å; R104-L108 WeakPolarHBondContact O-CG 3.42Å; R104-L108 PolarHBondContact O-N 3.34Å; R104-S117 WeakPolarHBondContact CD-O 3.4Å; R104-Q119 PolarHBondContact NH1-O 3.26Å
105Q98.7Very high98.3Very high108 Ų10863.9 Ų63.951%0.50534%0.341SS..Hα-helixtrans-64.2-44.3177.5-66.4-55.7-42.400112.2E101 Q102 S107 L108 H109E101-Q105 WeakPolarHBondContact O-CG 3.26Å; E101-Q105 PolarHBondContact O-N 3.33Å; E101-Q105 VanDerWaalsContact O-N 3.09Å; Q102-Q105 PolarHBondContact O-N 2.78Å; Q105-S107 VanDerWaalsContact C-N 3.34Å; Q105-S107 PolarHBondContact O-N 3.38Å; Q105-L108 WeakPolarHBondContact O-CB 3.37Å; Q105-L108 PolarHBondContact O-N 3.33Å; Q105-H109 PolarHBondContact O-CD2 2.81Å
106I98.6Very high98.2Very high0 Ų062.2 Ų62.20%034%0.335CS..Hα-helixtrans-58.8-49173.7-68.1161.4000109.8Q102 L108 H109 F110 E141 V155 H156 I158Q102-I106 HydrophobicContact CG-CD1 4.02Å; Q102-I106 HydrophobicContact CG-CG1 4.37Å; Q102-I106 VanDerWaalsContact O-CG1 3.3Å; Q102-I106 WeakPolarHBondContact O-CG1 3.3Å; Q102-I106 PolarHBondContact O-N 3.18Å; I106-L108 VanDerWaalsContact C-N 3.26Å; I106-L108 PolarHBondContact O-N 3.42Å; I106-H109 WeakPolarHBondContact O-CB 3.27Å; I106-H109 PolarHBondContact O-N 3.24Å; I106-H109 VanDerWaalsContact O-N 3.15Å; I106-F110 HydrophobicContact CG2-CE2 4.09Å; I106-F110 WeakPolarHBondContact O-CD2 3.37Å; I106-F110 WeakPolarHBondContact O-CE2 3.39Å; I106-E141 WeakPolarHBondContact CG2-O 3.49Å; I106-V155 HydrophobicContact CG1-CG1 3.88Å; I106-H156 WeakPolarHBondContact CD1-O 3.47Å; I106-I158 HydrophobicContact CD1-CB 4.29Å; I106-I158 HydrophobicContact CD1-CD1 4.43Å
107S98Very high98.2Very high14 Ų1460.4 Ų60.410%0.09833%0.328CS..Hα-helixtrans-63.3-29.6-177.3-63.40000113.5M103 R104 Q105 H109 F110 V111 A114M103-S107 VanDerWaalsContact O-CB 3.26Å; M103-S107 WeakPolarHBondContact O-CB 3.37Å; M103-S107 PolarHBondContact O-N 3.19Å; M103-S107 PolarHBondContact O-OG 3.09Å; R104-S107 PolarHBondContact O-N 2.9Å; Q105-S107 VanDerWaalsContact C-N 3.34Å; Q105-S107 PolarHBondContact O-N 3.38Å; S107-H109 PolarHBondContact O-N 2.99Å; S107-F110 PolarHBondContact O-N 2.97Å; S107-V111 PolarHBondContact O-N 2.87Å; S107-A114 VanDerWaalsContact CB-CB 3.49Å
108L98.3Very high98.2Very high64 Ų6461 Ų6134%0.33532%0.32SS..THydrogen-bonded Turntrans-61.8-21176.6-89.8172000113.8R104 Q105 I106 F110 A114 I115R104-L108 WeakPolarHBondContact O-CG 3.42Å; R104-L108 PolarHBondContact O-N 3.34Å; Q105-L108 WeakPolarHBondContact O-CB 3.37Å; Q105-L108 PolarHBondContact O-N 3.33Å; I106-L108 VanDerWaalsContact C-N 3.26Å; I106-L108 PolarHBondContact O-N 3.42Å; L108-F110 PolarHBondContact O-N 2.99Å; L108-A114 HydrophobicContact CD2-CB 4.19Å; L108-A114 HydrophobicContact CG-CB 3.98Å; L108-I115 HydrophobicContact CD1-CG2 4.06Å; L108-I115 HydrophobicContact CD2-CG2 4.03Å; L108-I115 HydrophobicContact CG-CG2 4.31Å
109H98.3Very high98.2Very high108 Ų10859.2 Ų59.250%0.530%0.301SS..THydrogen-bonded Turntrans-70.9-20.1172.8-73.6-94.9000113.3Q105 I106 S107 V146Q105-H109 PolarHBondContact O-CD2 2.81Å; I106-H109 WeakPolarHBondContact O-CB 3.27Å; I106-H109 PolarHBondContact O-N 3.24Å; I106-H109 VanDerWaalsContact O-N 3.15Å; S107-H109 PolarHBondContact O-N 2.99Å; H109-V146 HydrophobicContact CB-CG2 3.65Å
110F97.2Very high98.2Very high69 Ų6959.7 Ų59.730%0.30331%0.306SS..THydrogen-bonded Turntrans-110-36.7-175.5-51.2-76.9000112.3I106 S107 L108 E141 V146I106-F110 HydrophobicContact CG2-CE2 4.09Å; I106-F110 WeakPolarHBondContact O-CD2 3.37Å; I106-F110 WeakPolarHBondContact O-CE2 3.39Å; S107-F110 PolarHBondContact O-N 2.97Å; L108-F110 PolarHBondContact O-N 2.99Å; F110-E141 HydrophobicContact CD1-CB 4.49Å; F110-E141 HydrophobicContact CD1-CG 3.97Å; F110-E141 WeakPolarHBondContact CD1-OE1 3.32Å; F110-E141 HydrophobicContact CD2-CB 3.91Å; F110-E141 HydrophobicContact CD2-CG 4.27Å; F110-E141 HydrophobicContact CE1-CB 4.2Å; F110-E141 HydrophobicContact CE1-CG 3.69Å; F110-E141 HydrophobicContact CE2-CB 3.58Å; F110-E141 HydrophobicContact CE2-CG 4.03Å; F110-E141 HydrophobicContact CG-CB 4.34Å; F110-E141 HydrophobicContact CG-CG 4.23Å; F110-E141 HydrophobicContact CZ-CB 3.71Å; F110-E141 HydrophobicContact CZ-CG 3.7Å; F110-V146 HydrophobicContact CE1-CG2 4.42Å; F110-V146 HydrophobicContact CE2-CG2 3.82Å; F110-V146 HydrophobicContact CZ-CB 4.38Å; F110-V146 HydrophobicContact CZ-CG2 3.57Å
111V95.7Very high98.2Very high61 Ų6159.7 Ų59.737%0.3731%0.305SS..  trans-143.8128.2-178.3-67.80000112.5S107 T113 A114S107-V111 PolarHBondContact O-N 2.87Å; V111-T113 PolarHBondContact O-N 2.96Å; V111-A114 HydrophobicContact CG2-CB 4.2Å; V111-A114 VanDerWaalsContact O-CB 3.32Å; V111-A114 WeakPolarHBondContact O-CB 3.36Å; V111-A114 PolarHBondContact O-N 2.84Å
112P97.2Very high98.2Very high112 Ų11254.4 Ų54.473%0.72728%0.281SS*.G310 helixtrans-63.1-27.1179.2-24.934.3000114.5A114P112-A114 PolarHBondContact O-N 2.91Å
113T98Very high98.2Very high91 Ų9151 Ų5156%0.55827%0.265SS*.G310 helixtrans-78.63.6-179.850.30000113.6V111 I115 L116V111-T113 PolarHBondContact O-N 2.96Å; T113-I115 PolarHBondContact O-N 2.84Å; T113-I115 VanDerWaalsContact O-N 3.07Å; T113-L116 HydrophobicContact CG2-CD1 4.33Å; T113-L116 WeakPolarHBondContact O-CB 3.5Å; T113-L116 WeakPolarHBondContact O-CG 3.22Å; T113-L116 PolarHBondContact O-N 2.81Å
114A97.5Very high98.2Very high9 Ų953.1 Ų53.17%0.07427%0.273CS..G310 helixtrans-52.7-29.2175.500000113.4S107 L108 V111 P112 L116 S117S107-A114 VanDerWaalsContact CB-CB 3.49Å; L108-A114 HydrophobicContact CD2-CB 4.19Å; L108-A114 HydrophobicContact CG-CB 3.98Å; V111-A114 HydrophobicContact CG2-CB 4.2Å; V111-A114 VanDerWaalsContact O-CB 3.32Å; V111-A114 WeakPolarHBondContact O-CB 3.36Å; V111-A114 PolarHBondContact O-N 2.84Å; P112-A114 PolarHBondContact O-N 2.91Å; A114-L116 PolarHBondContact O-N 3.13Å; A114-S117 WeakPolarHBondContact O-CB 3.3Å; A114-S117 PolarHBondContact O-N 3.14Å; A114-S117 VanDerWaalsContact O-N 3.12Å
115I98.3Very high98.2Very high117 Ų11755.6 Ų55.660%0.629%0.286SS*.G310 helixtrans-64-16.8176.463.7167.4000114.3L108 T113 S117L108-I115 HydrophobicContact CD1-CG2 4.06Å; L108-I115 HydrophobicContact CD2-CG2 4.03Å; L108-I115 HydrophobicContact CG-CG2 4.31Å; T113-I115 PolarHBondContact O-N 2.84Å; T113-I115 VanDerWaalsContact O-N 3.07Å; I115-S117 VanDerWaalsContact C-N 3.3Å
116L98.4Very high98.2Very high91 Ų9155.5 Ų55.548%0.47629%0.285SS..G310 helixtrans-80.7-12.5177.2-57.8-178.6000112.5P78 T113 A114P78-L116 HydrophobicContact CG-CB 4.36Å; T113-L116 HydrophobicContact CG2-CD1 4.33Å; T113-L116 WeakPolarHBondContact O-CB 3.5Å; T113-L116 WeakPolarHBondContact O-CG 3.22Å; T113-L116 PolarHBondContact O-N 2.81Å; A114-L116 PolarHBondContact O-N 3.13Å
117S98.2Very high98.2Very high21 Ų2155.6 Ų55.615%0.14729%0.286CS..  trans-73.3134.1177.1-175.60000111T76 R104 A114 I115 Q119T76-S117 WeakPolarHBondContact O-CA 3.29Å; T76-S117 PolarHBondContact OG1-OG 3.5Å; R104-S117 WeakPolarHBondContact CD-O 3.4Å; A114-S117 WeakPolarHBondContact O-CB 3.3Å; A114-S117 PolarHBondContact O-N 3.14Å; A114-S117 VanDerWaalsContact O-N 3.12Å; I115-S117 VanDerWaalsContact C-N 3.3Å; S117-Q119 WeakPolarHBondContact OG-CG 3.39Å; S117-Q119 PolarHBondContact OG-N 3.4Å
118R98.7Very high98.3Very high96 Ų9654.9 Ų54.936%0.36228%0.281SS..  trans-97.410.2176.8-66177.160-122.6-2.6112.9T76 D82 P85 D86T76-R118 PolarHBondContact O-N 3.13Å; D82-R118 PolarHBondContact O-NH1 3.26Å; P85-R118 HydrophobicContact CB-CB 4.21Å; P85-R118 WeakPolarHBondContact CB-O 3.36Å; P85-R118 HydrophobicContact CG-CB 3.79Å; P85-R118 VanDerWaalsContact CG-O 3.32Å; P85-R118 WeakPolarHBondContact CG-O 3.4Å; D86-R118 IonicContact OD1-CZ 2.72Å; D86-R118 IonicContact OD1-NH1 3.01Å; D86-R118 IonicContact OD1-NH2 3.78Å; D86-R118 PolarHBondContact OD1-NH2 2.73Å; D86-R118 IonicContact OD2-CZ 3.78Å; D86-R118 VanDerWaalsContact OD2-CZ 3.31Å; D86-R118 IonicContact OD2-NH1 2.75Å; D86-R118 PolarHBondContact OD2-NH1 3.49Å; D86-R118 IonicContact OD2-NH2 3.7Å; D86-R118 PolarHBondContact OD2-NH2 2.94Å
119Q98.6Very high98.3Very high1 Ų151.9 Ų51.91%0.00527%0.265CS..  trans-52142.4-17763.5-171.3173.300113.8T76 G100 M103 R104 S117 N131T76-Q119 HydrophobicContact CG2-CB 4.27Å; G100-Q119 WeakPolarHBondContact CA-O 3.42Å; M103-Q119 HydrophobicContact CB-CG 4.32Å; M103-Q119 HydrophobicContact CE-CB 4.15Å; M103-Q119 HydrophobicContact CE-CG 3.87Å; R104-Q119 PolarHBondContact NH1-O 3.26Å; S117-Q119 WeakPolarHBondContact OG-CG 3.39Å; S117-Q119 PolarHBondContact OG-N 3.4Å; Q119-N131 HydrophobicContact CB-CB 3.97Å; Q119-N131 VanDerWaalsContact CB-O 3.31Å; Q119-N131 WeakPolarHBondContact CB-O 3.02Å; Q119-N131 PolarHBondContact NE2-O 2.93Å
120V98.9Very high98.3Very high27 Ų2746.7 Ų46.716%0.16424%0.241CC..  trans-127.9165.9178.2-62.90000111.3P85 T88 L89 V122 N131P85-V120 HydrophobicContact CB-CG2 4.5Å; T88-V120 HydrophobicContact CG2-CG2 3.69Å; L89-V120 HydrophobicContact CD1-CG1 4.41Å; L89-V120 HydrophobicContact CD2-CG1 4.36Å; L89-V120 HydrophobicContact CD2-CG2 4.39Å; L89-V120 HydrophobicContact CG-CG1 4.42Å; L89-V120 HydrophobicContact CG-CG2 4.26Å; V120-V122 HydrophobicContact CG2-CG1 4.12Å; V120-N131 WeakPolarHBondContact CG2-OD1 3.41Å; V120-N131 PolarHBondContact N-OD1 3.21Å; V120-N131 PolarHBondContact O-N 2.92Å; V120-N131 VanDerWaalsContact O-N 3.09Å
121G98.9Very high98.4Very high2 Ų243.4 Ų43.42%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-121.7137.9159.600000109.2M96 I129M96-G121 WeakPolarHBondContact CA-O 3.41Å; M96-G121 WeakPolarHBondContact CB-O 3.21Å; M96-G121 PolarHBondContact N-O 3.49Å; G121-I129 VanDerWaalsContact CA-O 3.3Å; G121-I129 WeakPolarHBondContact CA-O 3.35Å
122V99Very high98.6Very high0 Ų040.5 Ų40.50%021%0.209CC..EExtended strand (participates in β ladder)trans-140.7164.2-178.8-56.60000110.9T88 L89 A92 R94 V120 I129T88-V122 HydrophobicContact CG2-CB 4.44Å; T88-V122 HydrophobicContact CG2-CG1 4.12Å; T88-V122 HydrophobicContact CG2-CG2 3.46Å; T88-V122 VanDerWaalsContact CG2-CG2 3.46Å; L89-V122 HydrophobicContact CD2-CG1 4.04Å; A92-V122 HydrophobicContact CB-CB 3.63Å; A92-V122 HydrophobicContact CB-CG1 3.79Å; A92-V122 HydrophobicContact CB-CG2 3.95Å; R94-V122 CarbonylContact O-C 3.55Å; R94-V122 WeakPolarHBondContact O-CA 3.4Å; V120-V122 HydrophobicContact CG2-CG1 4.12Å; V122-I129 HydrophobicContact CG2-CB 3.81Å; V122-I129 HydrophobicContact CG2-CD1 4.2Å; V122-I129 HydrophobicContact CG2-CG1 4.28Å; V122-I129 PolarHBondContact N-O 2.97Å; V122-I129 PolarHBondContact O-N 3.18Å
123I98.9Very high98.5Very high14 Ų1436.2 Ų36.27%0.07218%0.182CC..EExtended strand (participates in β ladder)trans-112.4132.8169.6-65.9159.1000108.3D93 R94 M96 K125 A127 L169D93-I123 PolarHBondContact N-O 2.88Å; R94-I123 HydrophobicContact CB-CB 4.37Å; R94-I123 PolarHBondContact N-O 3.25Å; R94-I123 VanDerWaalsContact N-O 3.14Å; R94-I123 PolarHBondContact O-N 2.9Å; M96-I123 HydrophobicContact CG-CD1 3.87Å; M96-I123 HydrophobicContact CG-CG1 4.07Å; M96-I123 HydrophobicContact SD-CD1 3.76Å; I123-K125 VanDerWaalsContact CG2-O 3.3Å; I123-K125 WeakPolarHBondContact CG2-O 3.47Å; I123-A127 VanDerWaalsContact CA-O 3.32Å; I123-A127 WeakPolarHBondContact CA-O 3.43Å; I123-L169 HydrophobicContact CD1-CD2 4Å; I123-L169 HydrophobicContact CG1-CD1 4.28Å; I123-L169 HydrophobicContact CG1-CD2 4.35Å; I123-L169 HydrophobicContact CG2-CD2 4.11Å
124R98.9Very high98.3Very high45 Ų4534 Ų3417%0.1718%0.177CC..EExtended strand (participates in β ladder)trans-123.5124.1164.8179.2-177.4-179.778.8-3.4107.5V62 D63 V91 Q126 A127 I129V62-R124 HydrophobicContact CB-CG 4.47Å; V62-R124 HydrophobicContact CG1-CB 4.19Å; V62-R124 HydrophobicContact CG1-CG 3.87Å; D63-R124 IonicContact OD1-CZ 3.8Å; D63-R124 IonicContact OD1-NE 3.15Å; D63-R124 PolarHBondContact OD1-NE 3.21Å; D63-R124 VanDerWaalsContact OD1-NE 3.15Å; D63-R124 IonicContact OD1-NH2 3.66Å; D63-R124 IonicContact OD2-CZ 3.43Å; D63-R124 IonicContact OD2-NE 3.34Å; D63-R124 PolarHBondContact OD2-NE 2.72Å; D63-R124 IonicContact OD2-NH2 2.68Å; D63-R124 PolarHBondContact OD2-NH2 2.95Å; V91-R124 WeakPolarHBondContact O-CD 3.18Å; V91-R124 WeakPolarHBondContact O-CG 3.45Å; V91-R124 PolarHBondContact O-NH1 2.78Å; R124-Q126 PolarHBondContact O-N 3.11Å; R124-Q126 VanDerWaalsContact O-N 3.1Å; R124-A127 PolarHBondContact N-O 2.82Å; R124-A127 WeakPolarHBondContact O-CB 3.4Å; R124-A127 PolarHBondContact O-N 2.93Å; R124-I129 HydrophobicContact CB-CD1 4.11Å
125K98.5Very high98.2Very high118 Ų11840 Ų4051%0.51320%0.203SC..THydrogen-bonded Turntrans51.2-111.7-168-63.6176.2172.5161.90110.8V62 D63 D93 I123V62-K125 HydrophobicContact CG1-CB 4.43Å; V62-K125 HydrophobicContact CG1-CD 4.36Å; D63-K125 VanDerWaalsContact CB-NZ 3.34Å; D63-K125 WeakPolarHBondContact OD1-CD 3.47Å; D63-K125 WeakPolarHBondContact OD1-CE 3.46Å; D63-K125 IonicContact OD1-NZ 2.73Å; D63-K125 PolarHBondContact OD1-NZ 3.12Å; D93-K125 PolarHBondContact OD2-N 2.96Å; I123-K125 VanDerWaalsContact CG2-O 3.3Å; I123-K125 WeakPolarHBondContact CG2-O 3.47Å
126Q98.4Very high98Very high105 Ų10537 Ų3749%0.49119%0.191SC..THydrogen-bonded Turntrans-112.812.1176.5-73.5176.6-40.800111.9R124 L169R124-Q126 PolarHBondContact O-N 3.11Å; R124-Q126 VanDerWaalsContact O-N 3.1Å; Q126-L169 HydrophobicContact CB-CB 4.5Å; Q126-L169 WeakPolarHBondContact CB-O 3.44Å; Q126-L169 WeakPolarHBondContact O-CB 3.47Å
127A98.9Very high97.9Very high2 Ų239.5 Ų39.52%0.01720%0.198CC..EExtended strand (participates in β ladder)trans-98.1137.5179.100000111.5V62 C67 H68 I123 R124V62-A127 HydrophobicContact CB-CB 4.33Å; V62-A127 HydrophobicContact CG1-CB 3.71Å; V62-A127 HydrophobicContact CG2-CB 3.76Å; C67-A127 WeakPolarHBondContact O-CB 3.32Å; H68-A127 WeakPolarHBondContact O-CA 3.48Å; I123-A127 VanDerWaalsContact CA-O 3.32Å; I123-A127 WeakPolarHBondContact CA-O 3.43Å; R124-A127 PolarHBondContact N-O 2.82Å; R124-A127 WeakPolarHBondContact O-CB 3.4Å; R124-A127 PolarHBondContact O-N 2.93Å
128L98.9Very high97.8Very high0 Ų039.5 Ų39.50%020%0.198CC..EExtended strand (participates in β ladder)trans-88.6132.5168.3178.365.4000109.6H68 L69 V70 F99 L130 V162 C165 L169H68-L128 PolarHBondContact O-N 3.17Å; L69-L128 CarbonylContact C-O 3.49Å; L69-L128 VanDerWaalsContact CA-O 3.32Å; L69-L128 WeakPolarHBondContact CA-O 3.26Å; L69-L128 HydrophobicContact CD1-CB 4.06Å; L69-L128 HydrophobicContact CD1-CD2 4Å; L69-L128 HydrophobicContact CD1-CG 4.07Å; V70-L128 PolarHBondContact N-O 2.93Å; F99-L128 HydrophobicContact CD2-CD1 4.16Å; F99-L128 HydrophobicContact CE2-CD1 3.58Å; F99-L128 HydrophobicContact CE2-CD2 4.13Å; F99-L128 HydrophobicContact CZ-CD1 4.16Å; F99-L128 HydrophobicContact CZ-CD2 3.84Å; L128-L130 HydrophobicContact CD1-CD2 3.94Å; L128-L130 HydrophobicContact CD1-CG 4.48Å; L128-L130 HydrophobicContact CD2-CD1 4.15Å; L128-L130 HydrophobicContact CD2-CD2 4.25Å; L128-L130 HydrophobicContact CD2-CG 4.17Å; L128-L130 HydrophobicContact CG-CD2 4.08Å; L128-L130 HydrophobicContact CG-CG 4.07Å; L128-V162 HydrophobicContact CD2-CG1 4.24Å; L128-V162 HydrophobicContact CD2-CG2 4.11Å; L128-C165 HydrophobicContact CD2-CB 4.35Å; L128-L169 HydrophobicContact CB-CD1 4.26Å
129I99Very high97.8Very high0 Ų034.9 Ų34.90%018%0.181CC..EExtended strand (participates in β ladder)trans-119.6126.4174.3-48178.8000108.8L58 V62 V70 T88 V91 G121 V122 R124L58-I129 HydrophobicContact CD2-CG2 4.13Å; V62-I129 HydrophobicContact CG2-CD1 4.13Å; V62-I129 HydrophobicContact CG2-CG1 4.46Å; V70-I129 HydrophobicContact CB-CB 4.44Å; V70-I129 HydrophobicContact CB-CG1 4.16Å; V70-I129 HydrophobicContact CB-CG2 4.13Å; V70-I129 HydrophobicContact CG1-CG2 4.3Å; V70-I129 WeakPolarHBondContact O-CA 3.09Å; T88-I129 HydrophobicContact CG2-CB 4.46Å; T88-I129 HydrophobicContact CG2-CG2 3.97Å; V91-I129 HydrophobicContact CG2-CD1 4.37Å; G121-I129 VanDerWaalsContact CA-O 3.3Å; G121-I129 WeakPolarHBondContact CA-O 3.35Å; V122-I129 HydrophobicContact CG2-CB 3.81Å; V122-I129 HydrophobicContact CG2-CD1 4.2Å; V122-I129 HydrophobicContact CG2-CG1 4.28Å; V122-I129 PolarHBondContact N-O 2.97Å; V122-I129 PolarHBondContact O-N 3.18Å; R124-I129 HydrophobicContact CB-CD1 4.11Å
130L99Very high97.7Very high0 Ų039.8 Ų39.80%020%0.202CC..EExtended strand (participates in β ladder)trans-124.9134.7179.1-58.3-179.5000111.2V70 L71 T72 F99 L128 V162V70-L130 PolarHBondContact O-N 3.07Å; L71-L130 HydrophobicContact CD2-CB 3.95Å; L71-L130 HydrophobicContact CD2-CD1 4.15Å; L71-L130 HydrophobicContact CD2-CG 4.36Å; T72-L130 PolarHBondContact N-O 3.47Å; F99-L130 HydrophobicContact CB-CD2 3.97Å; F99-L130 HydrophobicContact CD1-CD1 4.34Å; F99-L130 HydrophobicContact CD1-CD2 3.64Å; F99-L130 HydrophobicContact CD2-CD2 3.73Å; F99-L130 HydrophobicContact CE1-CD1 4.25Å; F99-L130 HydrophobicContact CE1-CD2 4.02Å; F99-L130 HydrophobicContact CE2-CD2 4.11Å; F99-L130 HydrophobicContact CG-CD2 3.51Å; F99-L130 HydrophobicContact CZ-CD2 4.25Å; L128-L130 HydrophobicContact CD1-CD2 3.94Å; L128-L130 HydrophobicContact CD1-CG 4.48Å; L128-L130 HydrophobicContact CD2-CD1 4.15Å; L128-L130 HydrophobicContact CD2-CD2 4.25Å; L128-L130 HydrophobicContact CD2-CG 4.17Å; L128-L130 HydrophobicContact CG-CD2 4.08Å; L128-L130 HydrophobicContact CG-CG 4.07Å; L130-V162 HydrophobicContact CD1-CG2 3.91Å
131N98.9Very high97.7Very high0 Ų040.1 Ų40.10%020%0.202CC..EExtended strand (participates in β ladder)trans-95.3118.8173.8-47.9142.7000111.9T72 T76 T84 T88 Q119 V120T72-N131 WeakPolarHBondContact OG1-CA 3.38Å; T72-N131 PolarHBondContact OG1-ND2 3.23Å; T76-N131 HydrophobicContact CG2-CB 3.8Å; T84-N131 HydrophobicContact CG2-CB 4.43Å; T88-N131 PolarHBondContact OG1-ND2 2.82Å; T88-N131 PolarHBondContact OG1-OD1 2.9Å; Q119-N131 HydrophobicContact CB-CB 3.97Å; Q119-N131 VanDerWaalsContact CB-O 3.31Å; Q119-N131 WeakPolarHBondContact CB-O 3.02Å; Q119-N131 PolarHBondContact NE2-O 2.93Å; V120-N131 WeakPolarHBondContact CG2-OD1 3.41Å; V120-N131 PolarHBondContact N-OD1 3.21Å; V120-N131 PolarHBondContact O-N 2.92Å; V120-N131 VanDerWaalsContact O-N 3.09Å
132L98.6Very high97.7Very high0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-105161.2-178.3-55.1174.8000111.4L28 L71 T72 G74 M103 I139 T142 L143L28-L132 HydrophobicContact CD2-CD1 3.63Å; L71-L132 HydrophobicContact CB-CD1 4.07Å; L71-L132 HydrophobicContact CD1-CD1 4.29Å; L71-L132 HydrophobicContact CD2-CD1 4.26Å; L71-L132 HydrophobicContact CG-CD1 4.44Å; T72-L132 WeakPolarHBondContact O-CA 3.48Å; T72-L132 VanDerWaalsContact O-CB 3.26Å; T72-L132 WeakPolarHBondContact O-CB 3.31Å; T72-L132 PolarHBondContact O-N 2.94Å; G74-L132 PolarHBondContact N-O 2.84Å; M103-L132 HydrophobicContact SD-CD2 3.94Å; L132-I139 HydrophobicContact CD1-CG2 4.34Å; L132-T142 HydrophobicContact CD2-CG2 4.11Å; L132-L143 HydrophobicContact CD1-CD1 4.1Å; L132-L143 HydrophobicContact CD1-CD2 3.99Å; L132-L143 HydrophobicContact CD1-CG 4.22Å; L132-L143 HydrophobicContact CD2-CD2 4.13Å
133P96.4Very high97.6Very high22 Ų2240 Ų4014%0.14320%0.201CC..  trans-60.3159.6173.9-23.635.4000112.7T73 I139T73-P133 PolarHBondContact OG1-O 2.99Å; P133-I139 WeakPolarHBondContact O-CG1 3.43Å
134G93.5Very high97.6Very high44 Ų4441 Ų4145%0.45421%0.205SC..SBendtrans-80.7-16.3178.300000115.6T73T73-G134 WeakPolarHBondContact OG1-CA 3.38Å
135Q94.6Very high97.6Very high136 Ų13639.3 Ų39.364%0.63620%0.202SC*.SBendtrans-91.5130.6-177.5-65.5-171.73100110.8K137 S138 I139Q135-K137 VanDerWaalsContact C-N 3.26Å; Q135-K137 PolarHBondContact O-N 3.35Å; Q135-K137 VanDerWaalsContact O-N 3.15Å; Q135-S138 PolarHBondContact O-N 2.8Å; Q135-I139 WeakPolarHBondContact O-CG1 3.4Å; Q135-I139 PolarHBondContact O-N 3.36Å
136P95.2Very high97.5Very high53 Ų5334.7 Ų34.734%0.34418%0.184SC..Hα-helixtrans-49.9-43.5-179.5-3337.5000114.5K23 A27 I139 K140K23-P136 HydrophobicContact CB-CG 3.63Å; K23-P136 HydrophobicContact CD-CG 4.45Å; A27-P136 HydrophobicContact CB-CB 3.73Å; A27-P136 HydrophobicContact CB-CG 4.21Å; P136-I139 WeakPolarHBondContact O-CB 3.44Å; P136-I139 PolarHBondContact O-N 2.68Å; P136-K140 PolarHBondContact O-N 3.27Å
137K96.9Very high97.5Very high143 Ų14333 Ų3362%0.62217%0.174SC*.Hα-helixtrans-60.1-49.2177179.2177.7168.5179.10111.4Q135 I139 K140 E141Q135-K137 VanDerWaalsContact C-N 3.26Å; Q135-K137 PolarHBondContact O-N 3.35Å; Q135-K137 VanDerWaalsContact O-N 3.15Å; K137-I139 VanDerWaalsContact C-N 3.33Å; K137-I139 PolarHBondContact O-N 3.5Å; K137-K140 PolarHBondContact O-N 2.65Å; K137-E141 WeakPolarHBondContact CE-OE1 3.48Å; K137-E141 HydrophobicContact CG-CG 4.43Å; K137-E141 IonicContact NZ-OE1 3.03Å; K137-E141 WeakPolarHBondContact O-CB 3.32Å; K137-E141 WeakPolarHBondContact O-CG 3.46Å; K137-E141 PolarHBondContact O-N 3.34Å
138S96.3Very high97.4Very high21 Ų2136 Ų3615%0.14719%0.19CC..Hα-helixtrans-68.2-30.1-179.1-55.90000113.1Q135 T142Q135-S138 PolarHBondContact O-N 2.8Å; S138-T142 VanDerWaalsContact O-CB 3.32Å; S138-T142 WeakPolarHBondContact O-CB 3.5Å; S138-T142 PolarHBondContact O-N 3.49Å; S138-T142 PolarHBondContact O-OG1 2.7Å
139I97.3Very high97.2Very high0 Ų041.6 Ų41.60%024%0.236CC..Hα-helixtrans-59-55.4170.9-67.7169.6000109.4A27 L28 T73 L132 P133 Q135 P136 K137 E141 T142 L143A27-I139 HydrophobicContact CB-CD1 4.32Å; L28-I139 HydrophobicContact CD2-CG2 3.5Å; L28-I139 HydrophobicContact CG-CG2 4.16Å; T73-I139 WeakPolarHBondContact OG1-CD1 3.07Å; L132-I139 HydrophobicContact CD1-CG2 4.34Å; P133-I139 WeakPolarHBondContact O-CG1 3.43Å; Q135-I139 WeakPolarHBondContact O-CG1 3.4Å; Q135-I139 PolarHBondContact O-N 3.36Å; P136-I139 WeakPolarHBondContact O-CB 3.44Å; P136-I139 PolarHBondContact O-N 2.68Å; K137-I139 VanDerWaalsContact C-N 3.33Å; K137-I139 PolarHBondContact O-N 3.5Å; I139-E141 PolarHBondContact O-N 2.9Å; I139-T142 PolarHBondContact O-N 2.97Å; I139-L143 HydrophobicContact CG2-CD1 3.7Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.42Å; I139-L143 PolarHBondContact O-N 2.95Å
140K97.5Very high97.1Very high104 Ų10445.4 Ų45.445%0.45227%0.268SS..Hα-helixtrans-59.8-46.4179.8177.9165.2-174.5175.10112P136 K137 T142 L143 E144P136-K140 PolarHBondContact O-N 3.27Å; K137-K140 PolarHBondContact O-N 2.65Å; K140-T142 VanDerWaalsContact C-N 3.32Å; K140-T142 PolarHBondContact O-N 3.15Å; K140-L143 PolarHBondContact O-N 3.4Å; K140-E144 WeakPolarHBondContact CE-OE2 3.41Å; K140-E144 IonicContact NZ-OE2 3.79Å; K140-E144 VanDerWaalsContact O-CB 3.25Å; K140-E144 WeakPolarHBondContact O-CB 3.43Å; K140-E144 PolarHBondContact O-N 3.23Å
141E98Very high96.9Very high33 Ų3347.5 Ų47.515%0.15429%0.289CS..Hα-helixtrans-60.2-39.2177.7-76.1172.8161.200112.6I106 F110 K137 I139 G145I106-E141 WeakPolarHBondContact CG2-O 3.49Å; F110-E141 HydrophobicContact CD1-CB 4.49Å; F110-E141 HydrophobicContact CD1-CG 3.97Å; F110-E141 WeakPolarHBondContact CD1-OE1 3.32Å; F110-E141 HydrophobicContact CD2-CB 3.91Å; F110-E141 HydrophobicContact CD2-CG 4.27Å; F110-E141 HydrophobicContact CE1-CB 4.2Å; F110-E141 HydrophobicContact CE1-CG 3.69Å; F110-E141 HydrophobicContact CE2-CB 3.58Å; F110-E141 HydrophobicContact CE2-CG 4.03Å; F110-E141 HydrophobicContact CG-CB 4.34Å; F110-E141 HydrophobicContact CG-CG 4.23Å; F110-E141 HydrophobicContact CZ-CB 3.71Å; F110-E141 HydrophobicContact CZ-CG 3.7Å; K137-E141 WeakPolarHBondContact CE-OE1 3.48Å; K137-E141 HydrophobicContact CG-CG 4.43Å; K137-E141 IonicContact NZ-OE1 3.03Å; K137-E141 WeakPolarHBondContact O-CB 3.32Å; K137-E141 WeakPolarHBondContact O-CG 3.46Å; K137-E141 PolarHBondContact O-N 3.34Å; I139-E141 PolarHBondContact O-N 2.9Å; E141-G145 VanDerWaalsContact O-CA 3.24Å; E141-G145 WeakPolarHBondContact O-CA 3.24Å; E141-G145 PolarHBondContact O-N 3.05Å
142T98.3Very high96.8Very high1 Ų152 Ų521%0.00631%0.313CS..Hα-helixtrans-68.8-41.1177.1-56.60000111.6M103 L132 S138 I139 K140 I158M103-T142 HydrophobicContact CB-CG2 3.94Å; M103-T142 HydrophobicContact CG-CG2 3.66Å; M103-T142 HydrophobicContact SD-CG2 3.97Å; L132-T142 HydrophobicContact CD2-CG2 4.11Å; S138-T142 VanDerWaalsContact O-CB 3.32Å; S138-T142 WeakPolarHBondContact O-CB 3.5Å; S138-T142 PolarHBondContact O-N 3.49Å; S138-T142 PolarHBondContact O-OG1 2.7Å; I139-T142 PolarHBondContact O-N 2.97Å; K140-T142 VanDerWaalsContact C-N 3.32Å; K140-T142 PolarHBondContact O-N 3.15Å; T142-I158 HydrophobicContact CG2-CG2 4.22Å; T142-I158 WeakPolarHBondContact O-CG2 3.4Å; T142-I158 PolarHBondContact O-N 2.81Å
143L98.6Very high96.8Very high0 Ų055.3 Ų55.30%033%0.333CS..Hα-helixtrans-74.7-41.5-177.2-68171.4000112.9L28 W31 L132 I139 K140 G157 I158 F159L28-L143 HydrophobicContact CD2-CD1 4.13Å; W31-L143 HydrophobicContact CD2-CB 3.95Å; W31-L143 HydrophobicContact CD2-CD1 3.68Å; W31-L143 HydrophobicContact CD2-CG 4.45Å; W31-L143 HydrophobicContact CE3-CB 4.19Å; W31-L143 HydrophobicContact CE3-CD1 3.56Å; W31-L143 HydrophobicContact CE3-CG 4.39Å; W31-L143 HydrophobicContact CG-CD1 4.18Å; W31-L143 HydrophobicContact CH2-CB 3.77Å; W31-L143 HydrophobicContact CZ2-CB 3.48Å; W31-L143 VanDerWaalsContact CZ2-CB 3.48Å; W31-L143 HydrophobicContact CZ3-CB 4.1Å; W31-L143 HydrophobicContact CZ3-CD1 4.01Å; W31-L143 HydrophobicContact CZ3-CD2 4.44Å; W31-L143 HydrophobicContact CZ3-CG 4.42Å; L132-L143 HydrophobicContact CD1-CD1 4.1Å; L132-L143 HydrophobicContact CD1-CD2 3.99Å; L132-L143 HydrophobicContact CD1-CG 4.22Å; L132-L143 HydrophobicContact CD2-CD2 4.13Å; I139-L143 HydrophobicContact CG2-CD1 3.7Å; I139-L143 VanDerWaalsContact O-CG 3.3Å; I139-L143 WeakPolarHBondContact O-CG 3.42Å; I139-L143 PolarHBondContact O-N 2.95Å; K140-L143 PolarHBondContact O-N 3.4Å; L143-G157 CarbonylContact O-C 3.41Å; L143-G157 VanDerWaalsContact O-CA 3.32Å; L143-G157 WeakPolarHBondContact O-CA 3.5Å; L143-I158 HydrophobicContact CD2-CG2 4Å; L143-I158 PolarHBondContact O-N 3.28Å; L143-F159 HydrophobicContact CB-CB 4.48Å; L143-F159 HydrophobicContact CD2-CB 4.28Å; L143-F159 HydrophobicContact CD2-CD2 3.99Å; L143-F159 WeakPolarHBondContact O-CB 3.41Å; L143-F159 PolarHBondContact O-N 2.74Å
144E98.4Very high96.8Very high34 Ų3458.5 Ų58.516%0.15935%0.353CS..Hα-helixtrans-93.6-31-174.3-160177.8148.400113.3W31 K140 K147 G157 V180W31-E144 HydrophobicContact CZ2-CB 4.48Å; K140-E144 WeakPolarHBondContact CE-OE2 3.41Å; K140-E144 IonicContact NZ-OE2 3.79Å; K140-E144 VanDerWaalsContact O-CB 3.25Å; K140-E144 WeakPolarHBondContact O-CB 3.43Å; K140-E144 PolarHBondContact O-N 3.23Å; E144-K147 WeakPolarHBondContact OE1-CE 3.29Å; E144-K147 IonicContact OE1-NZ 3.71Å; E144-K147 PolarHBondContact OE1-NZ 3.32Å; E144-G157 WeakPolarHBondContact O-CA 3.22Å; E144-G157 PolarHBondContact O-N 2.89Å; E144-G157 VanDerWaalsContact O-N 3.13Å; E144-V180 HydrophobicContact CG-CG1 4.41Å; E144-V180 VanDerWaalsContact CG-O 3.22Å; E144-V180 WeakPolarHBondContact CG-O 3.32Å
145G98.1Very high97.1Very high10 Ų1057.7 Ų57.710%0.10334%0.338CS..EExtended strand (participates in β ladder)trans91.8-153.9179.400000113.6E141 V155 G157E141-G145 VanDerWaalsContact O-CA 3.24Å; E141-G145 WeakPolarHBondContact O-CA 3.24Å; E141-G145 PolarHBondContact O-N 3.05Å; G145-V155 WeakPolarHBondContact CA-O 2.96Å; G145-G157 VanDerWaalsContact CA-CA 3.44Å; G145-G157 VanDerWaalsContact N-CA 3.27Å
146V97.9Very high97.3Very high21 Ų2156.6 Ų56.613%0.12733%0.333CS..EExtended strand (participates in β ladder)trans-111.8124.2-175.5-172.90000108.9H109 F110 V154 V155H109-V146 HydrophobicContact CB-CG2 3.65Å; F110-V146 HydrophobicContact CE1-CG2 4.42Å; F110-V146 HydrophobicContact CE2-CG2 3.82Å; F110-V146 HydrophobicContact CZ-CB 4.38Å; F110-V146 HydrophobicContact CZ-CG2 3.57Å; V146-V154 HydrophobicContact CB-CB 4.34Å; V146-V154 HydrophobicContact CG1-CB 4.17Å; V146-V154 PolarHBondContact O-N 2.88Å; V146-V155 HydrophobicContact CB-CB 4.02Å; V146-V155 HydrophobicContact CB-CG2 4.3Å; V146-V155 HydrophobicContact CG2-CB 3.99Å; V146-V155 HydrophobicContact CG2-CG2 4.25Å; V146-V155 PolarHBondContact N-O 3.09Å; V146-V155 PolarHBondContact O-N 3.09Å; V146-V155 VanDerWaalsContact O-N 3.13Å
147K97.2Very high97.4Very high68 Ų6854.3 Ų54.330%0.29632%0.319SS..EExtended strand (participates in β ladder)trans-112.7150.4172.5-68.2174.4179.3167.30110.4E144 N152 E179 V180E144-K147 WeakPolarHBondContact OE1-CE 3.29Å; E144-K147 IonicContact OE1-NZ 3.71Å; E144-K147 PolarHBondContact OE1-NZ 3.32Å; K147-N152 CarbonylContact C-O 3.5Å; K147-N152 WeakPolarHBondContact CA-O 3.25Å; K147-E179 PolarHBondContact NZ-O 3.44Å; K147-V180 PolarHBondContact NZ-O 3.15Å
148D97Very high97.5Very high66 Ų6648 Ų4835%0.35329%0.292SS..  trans-79.5178.717173.613000111.7A150 G151 N152 V154D148-A150 PolarHBondContact O-N 2.86Å; D148-A150 WeakPolarHBondContact OD1-CA 3.3Å; D148-A150 WeakPolarHBondContact OD1-CB 3.33Å; D148-A150 PolarHBondContact OD1-N 2.9Å; D148-G151 PolarHBondContact O-N 2.84Å; D148-G151 PolarHBondContact OD1-N 3.26Å; D148-N152 PolarHBondContact N-O 2.83Å; D148-N152 PolarHBondContact OD1-N 3.01Å; D148-N152 PolarHBondContact OD1-ND2 3.27Å; D148-N152 WeakPolarHBondContact OD2-CB 3.35Å; D148-N152 PolarHBondContact OD2-ND2 3.45Å; D148-V154 HydrophobicContact CB-CG2 3.9Å
149A95.5Very high97.6Very high117 Ų11747 Ų4797%0.96729%0.285SS*.THydrogen-bonded Turntrans-64-18.6-179.900000114.1
150A96.5Very high97.7Very high81 Ų8147.2 Ų47.267%0.66929%0.287SS*.THydrogen-bonded Turntrans-93.7-0.3175.600000112.6D148D148-A150 PolarHBondContact O-N 2.86Å; D148-A150 WeakPolarHBondContact OD1-CA 3.3Å; D148-A150 WeakPolarHBondContact OD1-CB 3.33Å; D148-A150 PolarHBondContact OD1-N 2.9Å
151G94.8Very high97.8Very high43 Ų4345.5 Ų45.544%0.44329%0.288SS..SBendtrans85.56.1-178.700000114.4D148D148-G151 PolarHBondContact O-N 2.84Å; D148-G151 PolarHBondContact OD1-N 3.26Å
152N96.4Very high97.8Very high95 Ų9544 Ų4451%0.50828%0.281SS..  trans-73.6140.7176.7-50.8-60.1000110.1K147 D148 V154K147-N152 CarbonylContact C-O 3.5Å; K147-N152 WeakPolarHBondContact CA-O 3.25Å; D148-N152 PolarHBondContact N-O 2.83Å; D148-N152 PolarHBondContact OD1-N 3.01Å; D148-N152 PolarHBondContact OD1-ND2 3.27Å; D148-N152 WeakPolarHBondContact OD2-CB 3.35Å; D148-N152 PolarHBondContact OD2-ND2 3.45Å; N152-V154 PolarHBondContact O-N 3.41Å
153V97.9Very high97.8Very high69 Ų6944 Ų4442%0.41828%0.281SS..EExtended strand (participates in β ladder)trans-70.6119177.6-178.70000109.9H156V153-H156 HydrophobicContact CG1-CB 4.41Å
154V98.2Very high97.8Very high90 Ų9046.9 Ų46.955%0.54529%0.292SS..EExtended strand (participates in β ladder)trans-89.9-45171.6-178.60000109.9V146 D148 N152V146-V154 HydrophobicContact CB-CB 4.34Å; V146-V154 HydrophobicContact CG1-CB 4.17Å; V146-V154 PolarHBondContact O-N 2.88Å; D148-V154 HydrophobicContact CB-CG2 3.9Å; N152-V154 PolarHBondContact O-N 3.41Å
155V98.5Very high97.8Very high26 Ų2646.1 Ų46.116%0.15829%0.29CS..EExtended strand (participates in β ladder)trans-135124.5173.9-175.40000108.1I106 G145 V146 G157I106-V155 HydrophobicContact CG1-CG1 3.88Å; G145-V155 WeakPolarHBondContact CA-O 2.96Å; V146-V155 HydrophobicContact CB-CB 4.02Å; V146-V155 HydrophobicContact CB-CG2 4.3Å; V146-V155 HydrophobicContact CG2-CB 3.99Å; V146-V155 HydrophobicContact CG2-CG2 4.25Å; V146-V155 PolarHBondContact N-O 3.09Å; V146-V155 PolarHBondContact O-N 3.09Å; V146-V155 VanDerWaalsContact O-N 3.13Å; V155-G157 PolarHBondContact O-N 3.49Å
156H98.6Very high97.8Very high114 Ų11445.7 Ų45.753%0.52829%0.286SS..EExtended strand (participates in β ladder)trans-64.3135.7176.1-72.6-83.6000111.1I106 V153 A160I106-H156 WeakPolarHBondContact CD1-O 3.47Å; V153-H156 HydrophobicContact CG1-CB 4.41Å; H156-A160 HydrophobicContact CB-CB 4.25Å
157G98.5Very high97.8Very high4 Ų447.3 Ų47.34%0.04129%0.292CS..  trans-66158.6170.200000112.5L143 E144 G145 V155 F159 A160L143-G157 CarbonylContact O-C 3.41Å; L143-G157 VanDerWaalsContact O-CA 3.32Å; L143-G157 WeakPolarHBondContact O-CA 3.5Å; E144-G157 WeakPolarHBondContact O-CA 3.22Å; E144-G157 PolarHBondContact O-N 2.89Å; E144-G157 VanDerWaalsContact O-N 3.13Å; G145-G157 VanDerWaalsContact CA-CA 3.44Å; G145-G157 VanDerWaalsContact N-CA 3.27Å; V155-G157 PolarHBondContact O-N 3.49Å; G157-F159 PolarHBondContact O-N 3.22Å; G157-F159 VanDerWaalsContact O-N 3.14Å; G157-A160 WeakPolarHBondContact O-CB 3.3Å; G157-A160 PolarHBondContact O-N 3.13Å; G157-A160 VanDerWaalsContact O-N 3.13Å
158I98.7Very high97.9Very high11 Ų1149.3 Ų49.36%0.05631%0.305CS..G310 helixtrans-61.5-29.1-174.7-154.768.8000112.1F99 Q102 M103 I106 T142 L143 A160 S161F99-I158 HydrophobicContact CD1-CD1 3.72Å; F99-I158 HydrophobicContact CD1-CG1 3.49Å; F99-I158 VanDerWaalsContact CD1-CG1 3.49Å; F99-I158 HydrophobicContact CE1-CD1 4.33Å; F99-I158 HydrophobicContact CE1-CG1 3.92Å; Q102-I158 HydrophobicContact CB-CD1 3.85Å; Q102-I158 HydrophobicContact CG-CD1 4.04Å; M103-I158 HydrophobicContact CG-CB 4.04Å; M103-I158 HydrophobicContact CG-CD1 3.81Å; M103-I158 HydrophobicContact CG-CG1 3.65Å; M103-I158 HydrophobicContact CG-CG2 4.32Å; M103-I158 HydrophobicContact SD-CG1 4.39Å; I106-I158 HydrophobicContact CD1-CB 4.29Å; I106-I158 HydrophobicContact CD1-CD1 4.43Å; T142-I158 HydrophobicContact CG2-CG2 4.22Å; T142-I158 WeakPolarHBondContact O-CG2 3.4Å; T142-I158 PolarHBondContact O-N 2.81Å; L143-I158 HydrophobicContact CD2-CG2 4Å; L143-I158 PolarHBondContact O-N 3.28Å; I158-A160 VanDerWaalsContact C-N 3.26Å; I158-A160 PolarHBondContact O-N 2.7Å; I158-S161 PolarHBondContact O-N 3.41Å
159F98.8Very high97.9Very high1 Ų147.4 Ų47.40%0.00430%0.295CS..G310 helixtrans-72-17.8-177.2-154.2-93.7000113.5W31 L32 L36 L69 L143 G157 S161 V162 P163 T176 V181W31-F159 HydrophobicContact CH2-CB 3.47Å; W31-F159 VanDerWaalsContact CH2-CB 3.47Å; W31-F159 AromaticContact CH2-CD1 3.56Å; W31-F159 HydrophobicContact CH2-CD1 3.56Å; W31-F159 AromaticContact CH2-CD2 3.89Å; W31-F159 HydrophobicContact CH2-CD2 3.89Å; W31-F159 HydrophobicContact CH2-CE1 4.21Å; W31-F159 HydrophobicContact CH2-CE2 4.49Å; W31-F159 AromaticContact CH2-CG 3.36Å; W31-F159 HydrophobicContact CH2-CG 3.36Å; W31-F159 HydrophobicContact CZ2-CB 4.26Å; W31-F159 HydrophobicContact CZ3-CB 4.21Å; W31-F159 AromaticContact CZ3-CD1 3.95Å; W31-F159 HydrophobicContact CZ3-CD1 3.95Å; W31-F159 AromaticContact CZ3-CD2 3.75Å; W31-F159 HydrophobicContact CZ3-CD2 3.75Å; W31-F159 HydrophobicContact CZ3-CE1 4.19Å; W31-F159 AromaticContact CZ3-CE2 4Å; W31-F159 HydrophobicContact CZ3-CE2 4Å; W31-F159 AromaticContact CZ3-CG 3.71Å; W31-F159 HydrophobicContact CZ3-CG 3.71Å; W31-F159 HydrophobicContact CZ3-CZ 4.21Å; L32-F159 HydrophobicContact CD2-CE2 4.2Å; L32-F159 HydrophobicContact CD2-CZ 4.18Å; L36-F159 HydrophobicContact CD2-CE1 4Å; L36-F159 HydrophobicContact CD2-CZ 4.12Å; L69-F159 HydrophobicContact CD2-CE2 3.94Å; L69-F159 HydrophobicContact CD2-CZ 4.45Å; L143-F159 HydrophobicContact CB-CB 4.48Å; L143-F159 HydrophobicContact CD2-CB 4.28Å; L143-F159 HydrophobicContact CD2-CD2 3.99Å; L143-F159 WeakPolarHBondContact O-CB 3.41Å; L143-F159 PolarHBondContact O-N 2.74Å; G157-F159 PolarHBondContact O-N 3.22Å; G157-F159 VanDerWaalsContact O-N 3.14Å; F159-S161 PolarHBondContact O-N 3.47Å; F159-V162 HydrophobicContact CD1-CB 4.48Å; F159-V162 HydrophobicContact CD2-CB 3.95Å; F159-V162 HydrophobicContact CD2-CG1 4.15Å; F159-V162 HydrophobicContact CD2-CG2 3.94Å; F159-V162 HydrophobicContact CE2-CB 4.12Å; F159-V162 HydrophobicContact CE2-CG1 3.82Å; F159-V162 HydrophobicContact CE2-CG2 4.43Å; F159-V162 HydrophobicContact CG-CB 4.16Å; F159-V162 HydrophobicContact CG-CG2 4.32Å; F159-V162 HydrophobicContact CZ-CB 4.46Å; F159-V162 HydrophobicContact CZ-CG1 4.11Å; F159-V162 PolarHBondContact O-N 3.12Å; F159-P163 HydrophobicContact CE1-CG 4.34Å; F159-P163 WeakPolarHBondContact O-CD 3.5Å; F159-T176 HydrophobicContact CD1-CG2 4.16Å; F159-T176 HydrophobicContact CE1-CG2 3.88Å; F159-V181 HydrophobicContact CD1-CG1 4.18Å
160A98.6Very high98Very high4 Ų449.6 Ų49.63%0.03329%0.285CS..G310 helixtrans-57.6-23.2175.900000113H156 G157 I158 V181 F184H156-A160 HydrophobicContact CB-CB 4.25Å; G157-A160 WeakPolarHBondContact O-CB 3.3Å; G157-A160 PolarHBondContact O-N 3.13Å; G157-A160 VanDerWaalsContact O-N 3.13Å; I158-A160 VanDerWaalsContact C-N 3.26Å; I158-A160 PolarHBondContact O-N 2.7Å; A160-V181 HydrophobicContact CB-CG2 3.95Å; A160-F184 PolarHBondContact O-N 2.95Å
161S98.7Very high98Very high68 Ų6846.7 Ų46.748%0.47626%0.263SS..G310 helixtrans-100.5-14.5178.6-57.70000114.1I158 F159 Y164 C165I158-S161 PolarHBondContact O-N 3.41Å; F159-S161 PolarHBondContact O-N 3.47Å; S161-Y164 PolarHBondContact O-N 2.98Å; S161-C165 PolarHBondContact O-N 2.7Å
162V98.8Very high98.1Very high0 Ų045.1 Ų45.10%025%0.245CC..Hα-helixtrans-64.5-45.6-173.6169.80000112.5L69 F99 L128 L130 F159 Y164 C165 I166L69-V162 HydrophobicContact CD1-CG1 4.18Å; L69-V162 HydrophobicContact CD2-CG1 4.05Å; F99-V162 HydrophobicContact CE1-CG2 4.38Å; L128-V162 HydrophobicContact CD2-CG1 4.24Å; L128-V162 HydrophobicContact CD2-CG2 4.11Å; L130-V162 HydrophobicContact CD1-CG2 3.91Å; F159-V162 HydrophobicContact CD1-CB 4.48Å; F159-V162 HydrophobicContact CD2-CB 3.95Å; F159-V162 HydrophobicContact CD2-CG1 4.15Å; F159-V162 HydrophobicContact CD2-CG2 3.94Å; F159-V162 HydrophobicContact CE2-CB 4.12Å; F159-V162 HydrophobicContact CE2-CG1 3.82Å; F159-V162 HydrophobicContact CE2-CG2 4.43Å; F159-V162 HydrophobicContact CG-CB 4.16Å; F159-V162 HydrophobicContact CG-CG2 4.32Å; F159-V162 HydrophobicContact CZ-CB 4.46Å; F159-V162 HydrophobicContact CZ-CG1 4.11Å; F159-V162 PolarHBondContact O-N 3.12Å; V162-Y164 VanDerWaalsContact C-N 3.28Å; V162-Y164 PolarHBondContact O-N 2.9Å; V162-C165 WeakPolarHBondContact O-CB 3.22Å; V162-C165 PolarHBondContact O-N 2.89Å; V162-C165 VanDerWaalsContact O-N 3.11Å; V162-I166 HydrophobicContact CG1-CD1 3.63Å; V162-I166 HydrophobicContact CG1-CG1 4.25Å; V162-I166 WeakPolarHBondContact O-CG1 3.41Å; V162-I166 PolarHBondContact O-N 2.69Å
163P98.4Very high98.2Very high1 Ų142.2 Ų42.21%0.00623%0.227CC..Hα-helixtrans-57.9-35.9178.2-31.539.3000114.7F159 Q167 V174 T176 A183 R185F159-P163 HydrophobicContact CE1-CG 4.34Å; F159-P163 WeakPolarHBondContact O-CD 3.5Å; P163-Q167 PolarHBondContact O-N 3.11Å; P163-V174 HydrophobicContact CB-CB 4.01Å; P163-V174 HydrophobicContact CB-CG1 4.29Å; P163-V174 HydrophobicContact CG-CB 4.42Å; P163-V174 HydrophobicContact CG-CG1 4.16Å; P163-T176 HydrophobicContact CG-CG2 4.05Å; P163-A183 HydrophobicContact CB-CB 3.97Å; P163-A183 HydrophobicContact CG-CB 3.76Å; P163-R185 PolarHBondContact O-NH2 3.48Å; P163-R185 VanDerWaalsContact O-NH2 3.17Å
164Y98.5Very high98.2Very high62 Ų6239 Ų3924%0.24321%0.207CC..Hα-helixtrans-77.5-36.3176.5-175.2-135.8000111.7S161 V162 I166 Q167 L168 F184 R185 P186 A189S161-Y164 PolarHBondContact O-N 2.98Å; V162-Y164 VanDerWaalsContact C-N 3.28Å; V162-Y164 PolarHBondContact O-N 2.9Å; Y164-I166 PolarHBondContact O-N 3.04Å; Y164-Q167 HydrophobicContact CD2-CB 4.46Å; Y164-Q167 WeakPolarHBondContact O-CB 3.26Å; Y164-Q167 PolarHBondContact O-N 3.07Å; Y164-L168 HydrophobicContact CD1-CD1 4.23Å; Y164-L168 HydrophobicContact CD2-CG 4.23Å; Y164-L168 HydrophobicContact CE1-CD1 3.84Å; Y164-L168 HydrophobicContact CE1-CG 4.4Å; Y164-L168 HydrophobicContact CE2-CD1 4.17Å; Y164-L168 HydrophobicContact CE2-CD2 3.88Å; Y164-L168 HydrophobicContact CE2-CG 3.81Å; Y164-L168 WeakPolarHBondContact O-CG 3.27Å; Y164-L168 PolarHBondContact O-N 3.28Å; Y164-F184 WeakPolarHBondContact CB-O 3.44Å; Y164-R185 HydrophobicContact CD2-CG 4.31Å; Y164-R185 HydrophobicContact CG-CG 4.42Å; Y164-P186 HydrophobicContact CE1-CG 3.76Å; Y164-P186 HydrophobicContact CE2-CG 4.06Å; Y164-P186 VanDerWaalsContact CZ-CG 3.49Å; Y164-P186 WeakPolarHBondContact OH-CG 2.76Å; Y164-A189 HydrophobicContact CD2-CB 3.89Å; Y164-A189 HydrophobicContact CE2-CB 3.38Å
165C98.7Very high98.1Very high17 Ų1739 Ų3912%0.11520%0.202CC..Hα-helixtrans-58.5-46.7172.6-169.60000111.6L128 S161 V162 Q167 L168 L169L128-C165 HydrophobicContact CD2-CB 4.35Å; S161-C165 PolarHBondContact O-N 2.7Å; V162-C165 WeakPolarHBondContact O-CB 3.22Å; V162-C165 PolarHBondContact O-N 2.89Å; V162-C165 VanDerWaalsContact O-N 3.11Å; C165-Q167 VanDerWaalsContact C-N 3.33Å; C165-Q167 PolarHBondContact O-N 2.89Å; C165-L168 PolarHBondContact O-N 3.2Å; C165-L169 WeakPolarHBondContact O-CG 3.16Å; C165-L169 PolarHBondContact O-N 2.72Å
166I98.5Very high98.1Very high2 Ų238.3 Ų38.31%0.0120%0.198CC..Hα-helixtrans-61.8-41.6177.4-68.2166.8000110.9L4 L69 V162 Y164 L168 L169 E170 G171 P172 V174L4-I166 HydrophobicContact CD1-CD1 3.91Å; L4-I166 HydrophobicContact CD1-CG2 4.32Å; L4-I166 HydrophobicContact CD2-CD1 4.44Å; L69-I166 HydrophobicContact CB-CD1 4.29Å; V162-I166 HydrophobicContact CG1-CD1 3.63Å; V162-I166 HydrophobicContact CG1-CG1 4.25Å; V162-I166 WeakPolarHBondContact O-CG1 3.41Å; V162-I166 PolarHBondContact O-N 2.69Å; Y164-I166 PolarHBondContact O-N 3.04Å; I166-L168 VanDerWaalsContact C-N 3.32Å; I166-L168 PolarHBondContact O-N 3.23Å; I166-L169 CarbonylContact O-C 3.5Å; I166-L169 PolarHBondContact O-N 2.97Å; I166-L169 VanDerWaalsContact O-N 3.13Å; I166-E170 PolarHBondContact O-N 3.24Å; I166-G171 WeakPolarHBondContact O-CA 3.49Å; I166-G171 PolarHBondContact O-N 3.09Å; I166-P172 HydrophobicContact CG2-CG 4.42Å; I166-V174 HydrophobicContact CD1-CG2 4.32Å; I166-V174 HydrophobicContact CG2-CG2 4.3Å
167Q97.5Very high98.1Very high54 Ų5433.1 Ų33.125%0.25218%0.175SC..Hα-helixtrans-61.1-40.2175.71801800.700112.4P163 Y164 C165 L169 E170 A189P163-Q167 PolarHBondContact O-N 3.11Å; Y164-Q167 HydrophobicContact CD2-CB 4.46Å; Y164-Q167 WeakPolarHBondContact O-CB 3.26Å; Y164-Q167 PolarHBondContact O-N 3.07Å; C165-Q167 VanDerWaalsContact C-N 3.33Å; C165-Q167 PolarHBondContact O-N 2.89Å; Q167-L169 VanDerWaalsContact C-N 3.25Å; Q167-L169 PolarHBondContact O-N 3.24Å; Q167-E170 PolarHBondContact O-N 2.97Å; Q167-A189 PolarHBondContact NE2-O 2.85Å; Q167-A189 PolarHBondContact OE1-O 3.45Å
168L98Very high98Very high110 Ų11037.4 Ų37.458%0.57620%0.202SC*.Hα-helixtrans-69.9-23.4176.4-70.6176.6000113Y164 C165 I166 E170Y164-L168 HydrophobicContact CD1-CD1 4.23Å; Y164-L168 HydrophobicContact CD2-CG 4.23Å; Y164-L168 HydrophobicContact CE1-CD1 3.84Å; Y164-L168 HydrophobicContact CE1-CG 4.4Å; Y164-L168 HydrophobicContact CE2-CD1 4.17Å; Y164-L168 HydrophobicContact CE2-CD2 3.88Å; Y164-L168 HydrophobicContact CE2-CG 3.81Å; Y164-L168 WeakPolarHBondContact O-CG 3.27Å; Y164-L168 PolarHBondContact O-N 3.28Å; C165-L168 PolarHBondContact O-N 3.2Å; I166-L168 VanDerWaalsContact C-N 3.32Å; I166-L168 PolarHBondContact O-N 3.23Å; L168-E170 PolarHBondContact O-N 3.45Å
169L98.2Very high97.8Very high27 Ų2743.9 Ų43.914%0.14123%0.231CC..THydrogen-bonded Turntrans-86.616.5172.3-64.7171.4000112.5I123 Q126 L128 C165 I166 Q167 G171I123-L169 HydrophobicContact CD1-CD2 4Å; I123-L169 HydrophobicContact CG1-CD1 4.28Å; I123-L169 HydrophobicContact CG1-CD2 4.35Å; I123-L169 HydrophobicContact CG2-CD2 4.11Å; Q126-L169 HydrophobicContact CB-CB 4.5Å; Q126-L169 WeakPolarHBondContact CB-O 3.44Å; Q126-L169 WeakPolarHBondContact O-CB 3.47Å; L128-L169 HydrophobicContact CB-CD1 4.26Å; C165-L169 WeakPolarHBondContact O-CG 3.16Å; C165-L169 PolarHBondContact O-N 2.72Å; I166-L169 CarbonylContact O-C 3.5Å; I166-L169 PolarHBondContact O-N 2.97Å; I166-L169 VanDerWaalsContact O-N 3.13Å; Q167-L169 VanDerWaalsContact C-N 3.25Å; Q167-L169 PolarHBondContact O-N 3.24Å; L169-G171 PolarHBondContact O-N 2.98Å
170E97.1Very high97.8Very high162 Ų16244.9 Ų44.976%0.75724%0.238SC*.THydrogen-bonded Turntrans62.320.5-179.7-55.1170.5-133.100113.8I166 Q167 L168I166-E170 PolarHBondContact O-N 3.24Å; Q167-E170 PolarHBondContact O-N 2.97Å; L168-E170 PolarHBondContact O-N 3.45Å
171G97.3Very high97.8Very high21 Ų2145 Ų4522%0.21624%0.238CC..  trans-79.3-176.9175.100000113.9I166 L169I166-G171 WeakPolarHBondContact O-CA 3.49Å; I166-G171 PolarHBondContact O-N 3.09Å; L169-G171 PolarHBondContact O-N 2.98Å
172P97.4Very high97.7Very high9 Ų944.2 Ų44.26%0.05824%0.236CC..  trans-63.1154.9178.725.7-33.2000111.9N2 L4 H68 I166 V174N2-P172 HydrophobicContact CB-CB 3.99Å; N2-P172 VanDerWaalsContact O-CB 3.28Å; N2-P172 WeakPolarHBondContact O-CB 3.38Å; L4-P172 HydrophobicContact CB-CG 4.08Å; L4-P172 HydrophobicContact CD1-CG 3.79Å; H68-P172 WeakPolarHBondContact CD2-CD 3.29Å; I166-P172 HydrophobicContact CG2-CG 4.42Å; P172-V174 HydrophobicContact CG-CG2 4.44Å; P172-V174 PolarHBondContact O-N 3.5Å
173Y97.1Very high97.7Very high34 Ų3445.7 Ų45.713%0.13325%0.248CC..  trans-79106173.7-169-89.3000109.6E175 R191Y173-E175 HydrophobicContact CD1-CG 4.03Å; Y173-E175 HydrophobicContact CE1-CG 3.73Å; Y173-E175 WeakPolarHBondContact CE1-OE1 3.17Å; Y173-R191 VanDerWaalsContact CB-CZ 3.48Å; Y173-R191 HydrophobicContact CD2-CG 4.1Å; Y173-R191 HydrophobicContact CE1-CG 4.36Å; Y173-R191 HydrophobicContact CE2-CG 3.8Å; Y173-R191 HydrophobicContact CG-CG 4.5Å; Y173-R191 PolarHBondContact OH-N 3.33Å
174V97.3Very high97.6Very high1 Ų151.9 Ų51.91%0.00628%0.275CS..  trans-95.5135-174.9-177.80000111L4 L36 P163 I166 P172 R185L4-V174 HydrophobicContact CB-CG2 4.29Å; L4-V174 HydrophobicContact CD1-CG2 4Å; L4-V174 HydrophobicContact CD2-CG1 4.14Å; L4-V174 HydrophobicContact CD2-CG2 3.82Å; L4-V174 HydrophobicContact CG-CG2 4.25Å; L36-V174 HydrophobicContact CD2-CG1 3.43Å; L36-V174 VanDerWaalsContact CD2-CG1 3.43Å; P163-V174 HydrophobicContact CB-CB 4.01Å; P163-V174 HydrophobicContact CB-CG1 4.29Å; P163-V174 HydrophobicContact CG-CB 4.42Å; P163-V174 HydrophobicContact CG-CG1 4.16Å; I166-V174 HydrophobicContact CD1-CG2 4.32Å; I166-V174 HydrophobicContact CG2-CG2 4.3Å; P172-V174 HydrophobicContact CG-CG2 4.44Å; P172-V174 PolarHBondContact O-N 3.5Å; V174-R185 VanDerWaalsContact O-CZ 3.25Å; V174-R185 PolarHBondContact O-NH1 2.88Å; V174-R185 PolarHBondContact O-NH2 3.34Å
175E97.4Very high97.6Very high91 Ų9149.5 Ų49.543%0.42527%0.265SS..  trans-121.5154.5171.6-59.2-173144.100111.2T37 T38 Y173T37-E175 PolarHBondContact N-O 2.95Å; T37-E175 VanDerWaalsContact N-O 3.07Å; T37-E175 VanDerWaalsContact OG1-C 3.27Å; T37-E175 VanDerWaalsContact OG1-CB 3.3Å; T37-E175 WeakPolarHBondContact OG1-CB 3.34Å; T37-E175 PolarHBondContact OG1-O 3.2Å; T38-E175 HydrophobicContact CG2-CB 3.87Å; T38-E175 HydrophobicContact CG2-CG 4.05Å; T38-E175 PolarHBondContact OG1-N 2.99Å; T38-E175 VanDerWaalsContact OG1-N 3.11Å; Y173-E175 HydrophobicContact CD1-CG 4.03Å; Y173-E175 HydrophobicContact CE1-CG 3.73Å; Y173-E175 WeakPolarHBondContact CE1-OE1 3.17Å
176T98.3Very high97.5Very high12 Ų1250.4 Ų50.47%0.07427%0.271CS..BIsolated β-bridgetrans-128.2154.1-177.758.50000111.3A35 L36 F159 P163 P178 V181 A183A35-T176 CarbonylContact O-C 3.41Å; A35-T176 WeakPolarHBondContact O-CA 3.47Å; A35-T176 WeakPolarHBondContact O-CB 3.39Å; L36-T176 HydrophobicContact CD2-CG2 4.18Å; F159-T176 HydrophobicContact CD1-CG2 4.16Å; F159-T176 HydrophobicContact CE1-CG2 3.88Å; P163-T176 HydrophobicContact CG-CG2 4.05Å; T176-P178 VanDerWaalsContact O-CD 3.23Å; T176-P178 WeakPolarHBondContact O-CD 3.32Å; T176-V181 VanDerWaalsContact CB-O 3.24Å; T176-V181 WeakPolarHBondContact CB-O 3.2Å; T176-V181 HydrophobicContact CG2-CG1 4.17Å; T176-V181 PolarHBondContact OG1-O 3.44Å; T176-A183 HydrophobicContact CG2-CB 4.35Å; T176-A183 WeakPolarHBondContact OG1-CB 3.34Å; T176-A183 PolarHBondContact OG1-N 3.39Å; T176-A183 VanDerWaalsContact OG1-N 3.11Å
177A98Very high97.2Very high5 Ų559.3 Ų59.34%0.04131%0.31CS..  trans-67.8110.7170.500000109.4A35 T37 E179 V180 V181A35-A177 PolarHBondContact O-N 2.98Å; T37-A177 HydrophobicContact CG2-CB 4.09Å; A177-E179 HydrophobicContact CB-CG 4.46Å; A177-E179 PolarHBondContact O-N 2.95Å; A177-V180 HydrophobicContact CB-CB 4.38Å; A177-V180 HydrophobicContact CB-CG2 4.14Å; A177-V180 PolarHBondContact O-N 3.38Å; A177-V181 CarbonylContact O-C 3.59Å; A177-V181 PolarHBondContact O-N 3.2Å
178P96.6Very high97Very high94 Ų9462.1 Ų62.161%0.6134%0.336SS*.THydrogen-bonded Turntrans-61.1-27-174.4-24.435.6000114.3T176 V180 A182T176-P178 VanDerWaalsContact O-CD 3.23Å; T176-P178 WeakPolarHBondContact O-CD 3.32Å; P178-V180 VanDerWaalsContact C-N 3.28Å; P178-V180 PolarHBondContact O-N 2.94Å; P178-A182 HydrophobicContact CB-CB 4.49Å
179E95.7Very high96.9Very high146 Ų14657.3 Ų57.368%0.68231%0.312SS*.THydrogen-bonded Turntrans-66-29.3174.564.1-84.5-160.800112.9K147 A177K147-E179 PolarHBondContact NZ-O 3.44Å; A177-E179 HydrophobicContact CB-CG 4.46Å; A177-E179 PolarHBondContact O-N 2.95Å
180V97.4Very high96.6Very high22 Ų2263.1 Ų63.113%0.13333%0.332CS..THydrogen-bonded Turntrans-86.7-66.8172.1-176.70000108.7W31 S34 A35 E144 K147 A177 P178W31-V180 HydrophobicContact CZ2-CG1 4.42Å; S34-V180 WeakPolarHBondContact O-CG2 3.45Å; A35-V180 HydrophobicContact CB-CB 4.49Å; A35-V180 HydrophobicContact CB-CG1 3.89Å; E144-V180 HydrophobicContact CG-CG1 4.41Å; E144-V180 VanDerWaalsContact CG-O 3.22Å; E144-V180 WeakPolarHBondContact CG-O 3.32Å; K147-V180 PolarHBondContact NZ-O 3.15Å; A177-V180 HydrophobicContact CB-CB 4.38Å; A177-V180 HydrophobicContact CB-CG2 4.14Å; A177-V180 PolarHBondContact O-N 3.38Å; P178-V180 VanDerWaalsContact C-N 3.28Å; P178-V180 PolarHBondContact O-N 2.94Å
181V98.3Very high96.1Very high8 Ų862.6 Ų62.65%0.04832%0.323CS..  trans-148.6121.7-179.861.50000110.3W31 A35 F159 A160 T176 A177 A183W31-V181 HydrophobicContact CH2-CG1 3.93Å; W31-V181 HydrophobicContact CZ2-CB 4.5Å; W31-V181 HydrophobicContact CZ2-CG1 3.97Å; A35-V181 HydrophobicContact CB-CG1 4.16Å; F159-V181 HydrophobicContact CD1-CG1 4.18Å; A160-V181 HydrophobicContact CB-CG2 3.95Å; T176-V181 VanDerWaalsContact CB-O 3.24Å; T176-V181 WeakPolarHBondContact CB-O 3.2Å; T176-V181 HydrophobicContact CG2-CG1 4.17Å; T176-V181 PolarHBondContact OG1-O 3.44Å; A177-V181 CarbonylContact O-C 3.59Å; A177-V181 PolarHBondContact O-N 3.2Å; V181-A183 PolarHBondContact O-N 3.28Å
182A97.9Very high94.8Very high51 Ų5168.1 Ų68.142%0.42135%0.347SS..  trans-78.3116.7176.400000111.1P178 F184P178-A182 HydrophobicContact CB-CB 4.49Å; A182-F184 PolarHBondContact O-N 2.98Å
183A97.8Very high92.8Very high30 Ų3075.2 Ų75.225%0.24839%0.39CS..  trans-68113.2173.800000111P163 T176 V181P163-A183 HydrophobicContact CB-CB 3.97Å; P163-A183 HydrophobicContact CG-CB 3.76Å; T176-A183 HydrophobicContact CG2-CB 4.35Å; T176-A183 WeakPolarHBondContact OG1-CB 3.34Å; T176-A183 PolarHBondContact OG1-N 3.39Å; T176-A183 VanDerWaalsContact OG1-N 3.11Å; V181-A183 PolarHBondContact O-N 3.28Å
184F98Very high90.3Very high132 Ų13278.4 Ų78.458%0.57942%0.418SS*.  trans-78130.9177.1-177.8-90.8000110.9A160 Y164 A182A160-F184 PolarHBondContact O-N 2.95Å; Y164-F184 WeakPolarHBondContact CB-O 3.44Å; A182-F184 PolarHBondContact O-N 2.98Å
185R97.6Very high87.3Confident11 Ų1190.6 Ų90.64%0.04248%0.475CS..  trans-137.2138168.5-74.2-175.5172.891.94.6111.1P163 Y164 V174 A189 R190P163-R185 PolarHBondContact O-NH2 3.48Å; P163-R185 VanDerWaalsContact O-NH2 3.17Å; Y164-R185 HydrophobicContact CD2-CG 4.31Å; Y164-R185 HydrophobicContact CG-CG 4.42Å; V174-R185 VanDerWaalsContact O-CZ 3.25Å; V174-R185 PolarHBondContact O-NH1 2.88Å; V174-R185 PolarHBondContact O-NH2 3.34Å; R185-A189 HydrophobicContact CB-CB 4.37Å; R185-R190 HydrophobicContact CB-CG 3.89Å; R185-R190 PolarHBondContact O-NE 2.87Å; R185-R190 VanDerWaalsContact O-NE 3.08Å; R185-R190 PolarHBondContact O-NH2 3.23Å; R185-R190 VanDerWaalsContact O-NH2 3.11Å
186P96.1Very high86.8Confident37 Ų3790.6 Ų90.624%0.2448%0.477CS..  trans-63.3157.7166.929.1-33.6000110.1Y164 S188 A189Y164-P186 HydrophobicContact CE1-CG 3.76Å; Y164-P186 HydrophobicContact CE2-CG 4.06Å; Y164-P186 VanDerWaalsContact CZ-CG 3.49Å; Y164-P186 WeakPolarHBondContact OH-CG 2.76Å; P186-S188 PolarHBondContact O-N 2.85Å; P186-A189 HydrophobicContact CG-CB 3.86Å; P186-A189 PolarHBondContact O-N 2.96Å
187K92.9Very high86.2Confident188 Ų18894.7 Ų94.782%0.81750%0.498SS*.G310 helixtrans-53.6-40.5-175.9-68.4-176.4178.9-1790112.8A189 R190K187-A189 PolarHBondContact O-N 2.99Å; K187-R190 PolarHBondContact O-N 3.18Å
188S93.8Very high85.6Confident114 Ų11499.7 Ų99.780%0.79752%0.524SS*.G310 helixtrans-66.8-15.218051.90000114.9P186P186-S188 PolarHBondContact O-N 2.85Å
189A94.2Very high84.9Confident9 Ų9100.1 Ų100.17%0.07452%0.518CS..G310 helixtrans-104.9-6-177.100000113.4Y164 Q167 R185 P186 K187Y164-A189 HydrophobicContact CD2-CB 3.89Å; Y164-A189 HydrophobicContact CE2-CB 3.38Å; Q167-A189 PolarHBondContact NE2-O 2.85Å; Q167-A189 PolarHBondContact OE1-O 3.45Å; R185-A189 HydrophobicContact CB-CB 4.37Å; P186-A189 HydrophobicContact CG-CB 3.86Å; P186-A189 PolarHBondContact O-N 2.96Å; K187-A189 PolarHBondContact O-N 2.99Å
190R92.5Very high84.3Confident149 Ų14997.2 Ų97.256%0.56251%0.508SS*.SBendtrans-79.7135.1177.7-64178.3-169.4-170.1-2109.1R185 K187R185-R190 HydrophobicContact CB-CG 3.89Å; R185-R190 PolarHBondContact O-NE 2.87Å; R185-R190 VanDerWaalsContact O-NE 3.08Å; R185-R190 PolarHBondContact O-NH2 3.23Å; R185-R190 VanDerWaalsContact O-NH2 3.11Å; K187-R190 PolarHBondContact O-N 3.18Å
191R86.8Confident83.4Confident151 Ų151102.2 Ų102.257%0.5753%0.533SS*.PPolyproline II helixtrans-70.7139.1166-72.2-179175.9-178.1-2109Y173 V193Y173-R191 VanDerWaalsContact CB-CZ 3.48Å; Y173-R191 HydrophobicContact CD2-CG 4.1Å; Y173-R191 HydrophobicContact CE1-CG 4.36Å; Y173-R191 HydrophobicContact CE2-CG 3.8Å; Y173-R191 HydrophobicContact CG-CG 4.5Å; Y173-R191 PolarHBondContact OH-N 3.33Å; R191-V193 PolarHBondContact O-N 3.3Å
192D69.3Low82.3Confident136 Ų136108.9 Ų108.973%0.72757%0.568SS**PPolyproline II helixtrans-64132.1167.3-81.8-40.7000108.1S194D192-S194 PolarHBondContact O-N 2.84Å
193V56.8Low81.1Confident158 Ų158113.4 Ų113.496%0.95858%0.579SS**THydrogen-bonded Turntrans-73.623.3-177.9-159.40000111.2R191R191-V193 PolarHBondContact O-N 3.3Å
194S43.5Very low79.8Confident102 Ų102120.3 Ų120.371%0.71361%0.607SS**THydrogen-bonded Turntrans-12521.2-169.355.40000114.4D192D192-S194 PolarHBondContact O-N 2.84Å
195E35.7Very low78.1Confident257 Ų257119.3 Ų119.3100%1.20161%0.609SS**  trans-120.10168-72.4-172.1163.900112.5

Retrieved 195 of 195 residues in 76.6 ms (Link to these results)

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