A0A087YPQ5_POEFO Loading...

U11/U12 small nuclear ribonucleoprotein 35 kDa protein

AlphaFold DB , UniProt , Accession A0A087YPQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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
1M48.1Very low83.3Confident234 Ų23497.8 Ų97.8100%1.15352%0.516SS*.  0119.60-76.2143.2126.900107D3M1-D3 PolarHBondContact O-N 3.34Å
2S61.7Low84.2Confident125 Ų12595.3 Ų95.387%0.87450%0.503SS*.  trans-65.3125.5176.7-55.90000109.2W4S2-W4 PolarHBondContact O-N 3.28Å; S2-W4 VanDerWaalsContact O-N 3.09Å
3D77.8Confident85.1Confident148 Ų14889.2 Ų89.279%0.79147%0.472SS*.  trans-59.1115.1175.6-64.8-39.7000109.4M1 C5M1-D3 PolarHBondContact O-N 3.34Å; D3-C5 PolarHBondContact O-N 2.81Å
4W83.4Confident85.7Confident113 Ų11384.2 Ų84.243%0.42845%0.446SS..  trans-64.2131.4177.4175.185000109.7S2 P6 F162 R163 K164 P165S2-W4 PolarHBondContact O-N 3.28Å; S2-W4 VanDerWaalsContact O-N 3.09Å; W4-P6 HydrophobicContact CH2-CB 3.72Å; W4-P6 HydrophobicContact CH2-CG 4.26Å; W4-P6 HydrophobicContact CZ2-CB 4.2Å; W4-P6 HydrophobicContact CZ3-CB 4.24Å; W4-P6 HydrophobicContact CZ3-CG 4.29Å; W4-F162 VanDerWaalsContact CZ2-O 3.29Å; W4-F162 WeakPolarHBondContact CZ2-O 3.36Å; W4-R163 VanDerWaalsContact CZ2-C 3.41Å; W4-R163 PolarHBondContact NE1-O 3.12Å; W4-K164 HydrophobicContact CD2-CB 4.33Å; W4-K164 HydrophobicContact CD2-CG 4.16Å; W4-K164 HydrophobicContact CG-CG 4.43Å; W4-K164 HydrophobicContact CH2-CB 4.25Å; W4-K164 HydrophobicContact CZ2-CB 3.97Å; W4-K164 VanDerWaalsContact CZ2-N 3.25Å; W4-P165 VanDerWaalsContact CD1-CD 3.41Å; W4-P165 VanDerWaalsContact NE1-CD 3.34Å
5C88.1Confident86.3Confident51 Ų5185.9 Ų85.935%0.34545%0.448SS..  trans-125.2130.2178.6-166.10000110.1D3 I7D3-C5 PolarHBondContact O-N 2.81Å; C5-I7 PolarHBondContact O-N 2.96Å; C5-I7 PolarHBondContact SG-O 3.17Å; C5-I7 VanDerWaalsContact SG-O 3.37Å
6P91.3Very high86.8Confident49 Ų4980.7 Ų80.732%0.31842%0.421SS..SBendtrans-68.2-18.8177.124.7-31.9000113.2W4 P161 F162W4-P6 HydrophobicContact CH2-CB 3.72Å; W4-P6 HydrophobicContact CH2-CG 4.26Å; W4-P6 HydrophobicContact CZ2-CB 4.2Å; W4-P6 HydrophobicContact CZ3-CB 4.24Å; W4-P6 HydrophobicContact CZ3-CG 4.29Å; P6-P161 HydrophobicContact CB-CB 3.7Å; P6-P161 CarbonylContact O-C 3.5Å; P6-P161 VanDerWaalsContact O-CA 3.24Å; P6-P161 WeakPolarHBondContact O-CA 3.38Å; P6-P161 WeakPolarHBondContact O-CB 3.14Å; P6-F162 PolarHBondContact O-N 2.66Å
7I93.9Very high87.1Confident69 Ų6976.2 Ų76.235%0.35440%0.399SS..SBendtrans-110.3138.1-178.8-54.8-59.8000109.2C5 K9 P161C5-I7 PolarHBondContact O-N 2.96Å; C5-I7 PolarHBondContact SG-O 3.17Å; C5-I7 VanDerWaalsContact SG-O 3.37Å; I7-K9 PolarHBondContact O-N 3.3Å; I7-P161 HydrophobicContact CD1-CB 4.32Å
8A91.9Very high87.4Confident17 Ų1772.1 Ų72.114%0.1438%0.377CS..  trans-68126.1177.400000110.5G156 F162A8-G156 WeakPolarHBondContact CB-O 3.24Å; A8-G156 PolarHBondContact N-O 2.62Å; A8-F162 HydrophobicContact CB-CE2 3.97Å; A8-F162 HydrophobicContact CB-CZ 4.48Å
9K91.3Very high87.6Confident160 Ų16071.9 Ų71.970%0.69638%0.376SS*.SBendtrans-79.2-33.9170.2-65-177.7179.8178.10112I7 L132I7-K9 PolarHBondContact O-N 3.3Å; K9-L132 VanDerWaalsContact O-CD1 3.28Å; K9-L132 WeakPolarHBondContact O-CD1 3.28Å
10D93.9Very high87.8Confident99 Ų9970.3 Ų70.353%0.52937%0.368SS..SBendtrans-131.4143.8173.8-60.8-76.4000108.7N12D10-N12 PolarHBondContact O-N 3.27Å
11Y94.6Very high87.8Confident11 Ų1167.6 Ų67.64%0.04336%0.357CS..  trans-82.9114.2178.2-166.3-92.9000110.4P13 A16 L132 R133 G134 W135 V136 G142 G143 L144Y11-P13 HydrophobicContact CD1-CG 4.28Å; Y11-P13 HydrophobicContact CE1-CB 4.27Å; Y11-P13 HydrophobicContact CE1-CG 3.93Å; Y11-A16 HydrophobicContact CE2-CB 4.01Å; Y11-L132 HydrophobicContact CD2-CD2 3.84Å; Y11-L132 HydrophobicContact CG-CD2 4.25Å; Y11-R133 WeakPolarHBondContact CB-O 3.21Å; Y11-R133 PolarHBondContact N-O 3.35Å; Y11-G134 VanDerWaalsContact CD1-O 3.24Å; Y11-G134 WeakPolarHBondContact CD1-O 3.4Å; Y11-W135 AromaticContact CD2-CE3 3.68Å; Y11-W135 HydrophobicContact CD2-CE3 3.68Å; Y11-W135 AromaticContact CD2-CZ3 3.97Å; Y11-W135 HydrophobicContact CD2-CZ3 3.97Å; Y11-W135 AromaticContact CE2-CE3 3.95Å; Y11-W135 HydrophobicContact CE2-CE3 3.95Å; Y11-W135 AromaticContact CE2-CZ3 3.91Å; Y11-W135 HydrophobicContact CE2-CZ3 3.91Å; Y11-W135 HydrophobicContact CG-CE3 4.13Å; Y11-V136 HydrophobicContact CD1-CB 4.43Å; Y11-V136 HydrophobicContact CD1-CG2 4.4Å; Y11-V136 HydrophobicContact CE1-CB 3.89Å; Y11-V136 HydrophobicContact CE1-CG2 4.22Å; Y11-G142 WeakPolarHBondContact OH-CA 3.48Å; Y11-G143 WeakPolarHBondContact CE2-O 3.49Å; Y11-G143 PolarHBondContact OH-N 3.4Å; Y11-G143 PolarHBondContact OH-O 3.31Å; Y11-L144 HydrophobicContact CD2-CD2 4.31Å; Y11-L144 HydrophobicContact CE2-CD2 3.84Å; Y11-L144 HydrophobicContact CE2-CG 4.12Å
12N94.9Very high89.7Confident68 Ų6860 Ų6036%0.36432%0.324SS..  trans-116.9118.2166.7-178.9-39.7000108.1D10 L14 K15 A16D10-N12 PolarHBondContact O-N 3.27Å; N12-L14 VanDerWaalsContact C-N 3.26Å; N12-L14 PolarHBondContact O-N 3.29Å; N12-L14 WeakPolarHBondContact OD1-CB 3.49Å; N12-L14 PolarHBondContact OD1-N 2.82Å; N12-K15 HydrophobicContact CB-CB 4.12Å; N12-K15 HydrophobicContact CB-CD 4.31Å; N12-K15 HydrophobicContact CB-CG 4.09Å; N12-K15 PolarHBondContact O-N 3.27Å; N12-K15 PolarHBondContact OD1-N 2.84Å; N12-A16 VanDerWaalsContact O-CB 3.3Å; N12-A16 WeakPolarHBondContact O-CB 3.46Å; N12-A16 PolarHBondContact O-N 2.73Å
13P94.8Very high91Very high16 Ų1656.5 Ų56.510%0.10430%0.296CS..Hα-helixtrans-58-35-177.1-22.629.9000114.5Y11 G17 A34 M35 V136Y11-P13 HydrophobicContact CD1-CG 4.28Å; Y11-P13 HydrophobicContact CE1-CB 4.27Å; Y11-P13 HydrophobicContact CE1-CG 3.93Å; P13-G17 PolarHBondContact O-N 2.68Å; P13-A34 HydrophobicContact CB-CB 3.59Å; P13-A34 HydrophobicContact CG-CB 4.06Å; P13-M35 HydrophobicContact CB-CG 4.01Å; P13-M35 HydrophobicContact CG-CG 4.42Å; P13-V136 HydrophobicContact CG-CG2 4.08Å
14L94.4Very high91.7Very high19 Ų1955.6 Ų55.610%0.09930%0.295CS..Hα-helixtrans-66.3-53.1177.8175.663.4000110.6N12 A16 G17 S18 D23 V24 E25 P26 V31 M35N12-L14 VanDerWaalsContact C-N 3.26Å; N12-L14 PolarHBondContact O-N 3.29Å; N12-L14 WeakPolarHBondContact OD1-CB 3.49Å; N12-L14 PolarHBondContact OD1-N 2.82Å; L14-A16 VanDerWaalsContact C-N 3.29Å; L14-A16 PolarHBondContact O-N 2.87Å; L14-G17 WeakPolarHBondContact O-CA 3.46Å; L14-G17 PolarHBondContact O-N 2.8Å; L14-S18 PolarHBondContact O-N 2.71Å; L14-D23 HydrophobicContact CD1-CB 4.14Å; L14-D23 WeakPolarHBondContact CD2-O 3.37Å; L14-D23 HydrophobicContact CG-CB 4.48Å; L14-D23 WeakPolarHBondContact CG-O 3.49Å; L14-V24 WeakPolarHBondContact CD2-O 3.41Å; L14-E25 WeakPolarHBondContact CD1-O 3.46Å; L14-P26 HydrophobicContact CD1-CB 4.3Å; L14-V31 HydrophobicContact CB-CG1 4.44Å; L14-V31 HydrophobicContact CD1-CG1 4.27Å; L14-M35 HydrophobicContact CB-SD 4.03Å
15K94.1Very high92Very high109 Ų10957.4 Ų57.447%0.47431%0.308SS..Hα-helixtrans-61.7-40.4177.6-61.9-169175.7-173.60111.4N12 G17 S18 F162N12-K15 HydrophobicContact CB-CB 4.12Å; N12-K15 HydrophobicContact CB-CD 4.31Å; N12-K15 HydrophobicContact CB-CG 4.09Å; N12-K15 PolarHBondContact O-N 3.27Å; N12-K15 PolarHBondContact OD1-N 2.84Å; K15-G17 PolarHBondContact O-N 2.83Å; K15-S18 WeakPolarHBondContact O-CB 3.4Å; K15-S18 PolarHBondContact O-N 3.29Å; K15-S18 VanDerWaalsContact O-O 3.11Å; K15-F162 WeakPolarHBondContact O-CE1 3.39Å
16A94.3Very high92.1Very high3 Ų357 Ų573%0.02531%0.305CS..Hα-helixtrans-64.1-26.2175.500000112.5Y11 N12 L14 S18 R154 F155Y11-A16 HydrophobicContact CE2-CB 4.01Å; N12-A16 VanDerWaalsContact O-CB 3.3Å; N12-A16 WeakPolarHBondContact O-CB 3.46Å; N12-A16 PolarHBondContact O-N 2.73Å; L14-A16 VanDerWaalsContact C-N 3.29Å; L14-A16 PolarHBondContact O-N 2.87Å; A16-S18 VanDerWaalsContact C-N 3.31Å; A16-R154 CarbonylContact O-C 3.35Å; A16-R154 WeakPolarHBondContact O-CA 3.21Å; A16-F155 PolarHBondContact O-N 2.78Å
17G92.9Very high91.9Very high4 Ų460 Ų604%0.04132%0.315CS..Hα-helixtrans-68.5-32.417000000112.7P13 L14 K15 H27P13-G17 PolarHBondContact O-N 2.68Å; L14-G17 WeakPolarHBondContact O-CA 3.46Å; L14-G17 PolarHBondContact O-N 2.8Å; K15-G17 PolarHBondContact O-N 2.83Å; G17-H27 VanDerWaalsContact C-CE1 3.49Å; G17-H27 PolarHBondContact O-CE1 2.94Å; G17-H27 VanDerWaalsContact O-CE1 3.27Å
18S92.7Very high91.7Very high2 Ų258.3 Ų58.31%0.01431%0.307CS..SBendtrans-80.9139.4-176.4-173.30000112.7L14 K15 A16 D20 G21 T22 D23 F155L14-S18 PolarHBondContact O-N 2.71Å; K15-S18 WeakPolarHBondContact O-CB 3.4Å; K15-S18 PolarHBondContact O-N 3.29Å; K15-S18 VanDerWaalsContact O-O 3.11Å; A16-S18 VanDerWaalsContact C-N 3.31Å; S18-D20 VanDerWaalsContact C-N 3.29Å; S18-D20 PolarHBondContact O-N 3.19Å; S18-D20 PolarHBondContact OG-OD1 3.33Å; S18-G21 PolarHBondContact OG-N 2.98Å; S18-T22 PolarHBondContact OG-N 3.14Å; S18-D23 WeakPolarHBondContact CB-OD1 3.45Å; S18-D23 VanDerWaalsContact OG-CG 3.24Å; S18-D23 PolarHBondContact OG-N 3.23Å; S18-D23 PolarHBondContact OG-OD1 3.34Å; S18-F155 VanDerWaalsContact C-CD2 3.47Å; S18-F155 WeakPolarHBondContact O-CB 3.21Å; S18-F155 WeakPolarHBondContact O-CD2 3.33Å; S18-F155 WeakPolarHBondContact O-CG 3.49Å
19I91.3Very high91.7Very high69 Ų6968.1 Ų68.135%0.35434%0.34SS..SBendtrans-65.6-31.9178.8-169.7163.2000112.9F155 F162 R163I19-F155 HydrophobicContact CB-CD2 4.42Å; I19-F155 HydrophobicContact CB-CE1 4.15Å; I19-F155 HydrophobicContact CB-CE2 4Å; I19-F155 HydrophobicContact CB-CZ 3.85Å; I19-F155 HydrophobicContact CD1-CE1 4.17Å; I19-F155 HydrophobicContact CD1-CZ 4.16Å; I19-F155 HydrophobicContact CG1-CD1 4.16Å; I19-F155 HydrophobicContact CG1-CE1 3.65Å; I19-F155 HydrophobicContact CG1-CE2 4.41Å; I19-F155 HydrophobicContact CG1-CZ 3.79Å; I19-F162 CarbonylContact O-C 3.52Å; I19-F162 WeakPolarHBondContact O-CA 3.38Å; I19-R163 HydrophobicContact CD1-CG 4.22Å; I19-R163 HydrophobicContact CG1-CB 4.26Å; I19-R163 HydrophobicContact CG1-CG 3.83Å; I19-R163 PolarHBondContact O-N 2.79Å
20D89.9Confident91.8Very high39 Ų3961 Ų6121%0.20931%0.31CS..SBendtrans-114.2-2.5-178.760.414.4000113S18 T22 R163 P165S18-D20 VanDerWaalsContact C-N 3.29Å; S18-D20 PolarHBondContact O-N 3.19Å; S18-D20 PolarHBondContact OG-OD1 3.33Å; D20-T22 VanDerWaalsContact C-N 3.35Å; D20-T22 HydrophobicContact CB-CG2 4.44Å; D20-T22 VanDerWaalsContact CG-OG1 3.27Å; D20-T22 WeakPolarHBondContact OD1-CB 3.2Å; D20-T22 WeakPolarHBondContact OD1-CG2 3.44Å; D20-T22 PolarHBondContact OD1-N 2.76Å; D20-T22 PolarHBondContact OD1-OG1 2.77Å; D20-T22 PolarHBondContact OD2-OG1 3.43Å; D20-R163 WeakPolarHBondContact CA-O 3.43Å; D20-R163 WeakPolarHBondContact CB-O 3.38Å; D20-P165 HydrophobicContact CB-CG 4.22Å
21G88.9Confident91.8Very high14 Ų1456.2 Ų56.214%0.14429%0.285CS..SBendtrans79.715177.800000114S18S18-G21 PolarHBondContact OG-N 2.98Å
22T88.7Confident91.8Very high76 Ų7663.3 Ų63.347%0.46631%0.312SS..  trans-100.4-10.3-174.767.70000114.9S18 D20 V24 P165S18-T22 PolarHBondContact OG-N 3.14Å; D20-T22 VanDerWaalsContact C-N 3.35Å; D20-T22 HydrophobicContact CB-CG2 4.44Å; D20-T22 VanDerWaalsContact CG-OG1 3.27Å; D20-T22 WeakPolarHBondContact OD1-CB 3.2Å; D20-T22 WeakPolarHBondContact OD1-CG2 3.44Å; D20-T22 PolarHBondContact OD1-N 2.76Å; D20-T22 PolarHBondContact OD1-OG1 2.77Å; D20-T22 PolarHBondContact OD2-OG1 3.43Å; T22-V24 PolarHBondContact O-N 2.99Å; T22-P165 HydrophobicContact CG2-CB 4.18Å; T22-P165 HydrophobicContact CG2-CG 3.86Å
23D88.8Confident91.8Very high50 Ų5066.6 Ų66.627%0.26732%0.319SS..  trans-54.5135.9179.5-68.218000111.7L14 S18 H27L14-D23 HydrophobicContact CD1-CB 4.14Å; L14-D23 WeakPolarHBondContact CD2-O 3.37Å; L14-D23 HydrophobicContact CG-CB 4.48Å; L14-D23 WeakPolarHBondContact CG-O 3.49Å; S18-D23 WeakPolarHBondContact CB-OD1 3.45Å; S18-D23 VanDerWaalsContact OG-CG 3.24Å; S18-D23 PolarHBondContact OG-N 3.23Å; S18-D23 PolarHBondContact OG-OD1 3.34Å; D23-H27 IonicContact OD2-CE1 3.7Å; D23-H27 PolarHBondContact OD2-CE1 2.89Å; D23-H27 VanDerWaalsContact OD2-CE1 3.24Å; D23-H27 IonicContact OD2-CG 3.33Å; D23-H27 IonicContact OD2-ND1 2.92Å; D23-H27 PolarHBondContact OD2-ND1 3.35Å
24V91.1Very high91.8Very high129 Ų12966 Ų6678%0.78232%0.315SS*.SBendtrans-105.2-16.8176-67.30000112.7L14 T22L14-V24 WeakPolarHBondContact CD2-O 3.41Å; T22-V24 PolarHBondContact O-N 2.99Å
25E90.5Very high91.8Very high151 Ų15169.4 Ų69.471%0.70633%0.332SS*.SBendtrans-128.7140.8-179.9-70-175.1165.200111.5L14 H27L14-E25 WeakPolarHBondContact CD1-O 3.46Å; E25-H27 PolarHBondContact O-N 3.3Å
26P90.8Very high91.8Very high44 Ų4467.9 Ų67.929%0.28634%0.335SS..  trans-71.2116.6-179.428-32.9000110.8L14 V31 W32 M35L14-P26 HydrophobicContact CD1-CB 4.3Å; P26-V31 HydrophobicContact CB-CB 4.26Å; P26-V31 HydrophobicContact CB-CG1 3.74Å; P26-W32 HydrophobicContact CB-CE3 4.38Å; P26-W32 HydrophobicContact CG-CE3 3.54Å; P26-W32 HydrophobicContact CG-CZ3 3.95Å; P26-M35 HydrophobicContact CB-SD 4.03Å; P26-M35 HydrophobicContact CG-SD 4.29Å
27H85.9Confident91.8Very high110 Ų11069 Ų6951%0.50935%0.345SS..  trans-89.5-9.7-178.660.8-99000114.2G17 D23 E25G17-H27 VanDerWaalsContact C-CE1 3.49Å; G17-H27 PolarHBondContact O-CE1 2.94Å; G17-H27 VanDerWaalsContact O-CE1 3.27Å; D23-H27 IonicContact OD2-CE1 3.7Å; D23-H27 PolarHBondContact OD2-CE1 2.89Å; D23-H27 VanDerWaalsContact OD2-CE1 3.24Å; D23-H27 IonicContact OD2-CG 3.33Å; D23-H27 IonicContact OD2-ND1 2.92Å; D23-H27 PolarHBondContact OD2-ND1 3.35Å; E25-H27 PolarHBondContact O-N 3.3Å
28D90Very high91.7Very high35 Ų3580.7 Ų80.719%0.18739%0.387CS..SBendtrans-135.2151.9178.185.355.3000113.5A30 V31 W32 R154D28-A30 PolarHBondContact O-N 3.45Å; D28-A30 VanDerWaalsContact OD1-C 3.32Å; D28-A30 WeakPolarHBondContact OD1-CA 3.24Å; D28-A30 WeakPolarHBondContact OD1-CB 3.38Å; D28-A30 PolarHBondContact OD1-N 2.82Å; D28-V31 PolarHBondContact O-N 3.42Å; D28-V31 PolarHBondContact OD1-N 3.37Å; D28-V31 WeakPolarHBondContact OD2-CG2 3.35Å; D28-W32 PolarHBondContact O-N 2.53Å; D28-W32 VanDerWaalsContact O-N 3.15Å; D28-R154 IonicContact OD1-NH2 2.86Å; D28-R154 PolarHBondContact OD1-NH2 3.28Å; D28-R154 VanDerWaalsContact OD1-NH2 3.11Å; D28-R154 IonicContact OD2-CZ 2.78Å; D28-R154 IonicContact OD2-NH1 3.98Å; D28-R154 PolarHBondContact OD2-NH1 2.9Å; D28-R154 IonicContact OD2-NH2 3.07Å; D28-R154 PolarHBondContact OD2-NH2 3.24Å
29R92.3Very high91.6Very high223 Ų22383 Ų8384%0.84240%0.396SS*.Hα-helixtrans-61.6-28.7-179.3-70.2-175.3179.9177.30.5113R33R29-R33 VanDerWaalsContact O-CG 3.31Å; R29-R33 WeakPolarHBondContact O-CG 3.32Å; R29-R33 PolarHBondContact O-N 3.13Å
30A92.9Very high91.5Very high9 Ų988.4 Ų88.47%0.07442%0.417CS..Hα-helixtrans-74.9-35.2178.100000111.7D28 R33 A34 G141 Q152D28-A30 PolarHBondContact O-N 3.45Å; D28-A30 VanDerWaalsContact OD1-C 3.32Å; D28-A30 WeakPolarHBondContact OD1-CA 3.24Å; D28-A30 WeakPolarHBondContact OD1-CB 3.38Å; D28-A30 PolarHBondContact OD1-N 2.82Å; A30-R33 PolarHBondContact O-N 3.39Å; A30-A34 WeakPolarHBondContact O-CB 3.46Å; A30-A34 PolarHBondContact O-N 2.98Å; A30-G141 CarbonylContact O-C 3.43Å; A30-G141 VanDerWaalsContact O-CA 3.29Å; A30-G141 WeakPolarHBondContact O-CA 3.47Å; A30-Q152 HydrophobicContact CB-CG 4.14Å
31V93.9Very high91.3Very high0 Ų089.2 Ų89.20%043%0.425CS..Hα-helixtrans-62.4-47.1170.7174.10000109.4L14 P26 D28 R33 A34 M35 R154L14-V31 HydrophobicContact CB-CG1 4.44Å; L14-V31 HydrophobicContact CD1-CG1 4.27Å; P26-V31 HydrophobicContact CB-CB 4.26Å; P26-V31 HydrophobicContact CB-CG1 3.74Å; D28-V31 PolarHBondContact O-N 3.42Å; D28-V31 PolarHBondContact OD1-N 3.37Å; D28-V31 WeakPolarHBondContact OD2-CG2 3.35Å; V31-R33 VanDerWaalsContact C-N 3.35Å; V31-R33 PolarHBondContact O-N 3.28Å; V31-A34 PolarHBondContact O-N 2.88Å; V31-A34 VanDerWaalsContact O-N 3.07Å; V31-M35 HydrophobicContact CG1-CG 4.3Å; V31-M35 HydrophobicContact CG1-SD 3.93Å; V31-M35 WeakPolarHBondContact O-CG 3.4Å; V31-M35 PolarHBondContact O-N 3.34Å; V31-R154 VanDerWaalsContact N-NH2 3.17Å
32W94.3Very high91.1Very high159 Ų15993 Ų9360%0.60244%0.441SS*.Hα-helixtrans-55.8-48.1175.9-174.7-85.3000112.5P26 D28 A34 M35 S36P26-W32 HydrophobicContact CB-CE3 4.38Å; P26-W32 HydrophobicContact CG-CE3 3.54Å; P26-W32 HydrophobicContact CG-CZ3 3.95Å; D28-W32 PolarHBondContact O-N 2.53Å; D28-W32 VanDerWaalsContact O-N 3.15Å; W32-A34 VanDerWaalsContact C-N 3.3Å; W32-A34 PolarHBondContact O-N 3.49Å; W32-M35 PolarHBondContact O-N 3.18Å; W32-S36 PolarHBondContact O-N 3.34Å; W32-S36 PolarHBondContact O-OG 2.94Å
33R94.9Very high90.7Very high138 Ų13898.9 Ų98.952%0.52146%0.46SS..Hα-helixtrans-58.9-42.2175.5-76.3-172.4-60.3162.81.7111.8R29 A30 V31 S36 A37 L140R29-R33 VanDerWaalsContact O-CG 3.31Å; R29-R33 WeakPolarHBondContact O-CG 3.32Å; R29-R33 PolarHBondContact O-N 3.13Å; A30-R33 PolarHBondContact O-N 3.39Å; V31-R33 VanDerWaalsContact C-N 3.35Å; V31-R33 PolarHBondContact O-N 3.28Å; R33-S36 PolarHBondContact O-N 3.36Å; R33-A37 VanDerWaalsContact O-CB 3.31Å; R33-A37 WeakPolarHBondContact O-CB 3.28Å; R33-A37 PolarHBondContact O-N 3.39Å; R33-L140 CarbonylContact C-O 3.54Å
34A95.3Very high90.4Very high2 Ų299.3 Ų99.32%0.01748%0.477CS..Hα-helixtrans-69.2-38.4-178.600000112.6P13 A30 V31 W32 S36 A37 V136 L140P13-A34 HydrophobicContact CB-CB 3.59Å; P13-A34 HydrophobicContact CG-CB 4.06Å; A30-A34 WeakPolarHBondContact O-CB 3.46Å; A30-A34 PolarHBondContact O-N 2.98Å; V31-A34 PolarHBondContact O-N 2.88Å; V31-A34 VanDerWaalsContact O-N 3.07Å; W32-A34 VanDerWaalsContact C-N 3.3Å; W32-A34 PolarHBondContact O-N 3.49Å; A34-S36 VanDerWaalsContact C-N 3.31Å; A34-A37 WeakPolarHBondContact O-CB 3.47Å; A34-A37 PolarHBondContact O-N 2.83Å; A34-V136 HydrophobicContact CB-CG1 4.02Å; A34-L140 WeakPolarHBondContact CA-O 3.39Å; A34-L140 PolarHBondContact N-O 3Å; A34-L140 VanDerWaalsContact N-O 3.11Å
35M94.4Very high90.1Very high91 Ų9194.6 Ų94.645%0.44845%0.448SS..Hα-helixtrans-63.9-38173.8-69174.767.400111.9P13 L14 P26 V31 W32 A37P13-M35 HydrophobicContact CB-CG 4.01Å; P13-M35 HydrophobicContact CG-CG 4.42Å; L14-M35 HydrophobicContact CB-SD 4.03Å; P26-M35 HydrophobicContact CB-SD 4.03Å; P26-M35 HydrophobicContact CG-SD 4.29Å; V31-M35 HydrophobicContact CG1-CG 4.3Å; V31-M35 HydrophobicContact CG1-SD 3.93Å; V31-M35 WeakPolarHBondContact O-CG 3.4Å; V31-M35 PolarHBondContact O-N 3.34Å; W32-M35 PolarHBondContact O-N 3.18Å; M35-A37 VanDerWaalsContact C-N 3.3Å
36S94.8Very high90Very high78 Ų7891.8 Ų91.855%0.54544%0.441SS..Hα-helixtrans-80.8-11178.6-54.60000113.1W32 R33 A34W32-S36 PolarHBondContact O-N 3.34Å; W32-S36 PolarHBondContact O-OG 2.94Å; R33-S36 PolarHBondContact O-N 3.36Å; A34-S36 VanDerWaalsContact C-N 3.31Å
37A94.1Very high89.9Confident27 Ų2790.9 Ų90.922%0.22344%0.44CS..  trans-76.6128.7-173.400000111.7R33 A34 M35 Y39 V136 L140R33-A37 VanDerWaalsContact O-CB 3.31Å; R33-A37 WeakPolarHBondContact O-CB 3.28Å; R33-A37 PolarHBondContact O-N 3.39Å; A34-A37 WeakPolarHBondContact O-CB 3.47Å; A34-A37 PolarHBondContact O-N 2.83Å; M35-A37 VanDerWaalsContact C-N 3.3Å; A37-Y39 PolarHBondContact O-N 3.2Å; A37-V136 HydrophobicContact CB-CG1 4.1Å; A37-L140 HydrophobicContact CB-CB 3.95Å; A37-L140 HydrophobicContact CB-CD1 4.06Å
38R90.9Very high90.3Very high249 Ų24988.8 Ų88.894%0.9443%0.432SS*.  trans-94.891.9166.7-67.3-177.1178.7-174.1-0.7109.1
39Y91.1Very high90.4Very high50 Ų5088.8 Ų88.820%0.19643%0.434CS..  trans-94.7131.7175.3-171.7-113.7000111.4A37 P41 E129 W135 P137 R139 L140A37-Y39 PolarHBondContact O-N 3.2Å; Y39-P41 HydrophobicContact CE1-CG 4.3Å; Y39-E129 HydrophobicContact CE1-CG 3.9Å; Y39-E129 VanDerWaalsContact OH-CD 3.31Å; Y39-E129 PolarHBondContact OH-OE1 3.38Å; Y39-W135 WeakPolarHBondContact CD1-O 3.49Å; Y39-P137 HydrophobicContact CD1-CG 4.33Å; Y39-P137 HydrophobicContact CD2-CG 3.78Å; Y39-P137 HydrophobicContact CE1-CG 4.27Å; Y39-P137 HydrophobicContact CE2-CG 3.74Å; Y39-P137 VanDerWaalsContact CG-CD 3.45Å; Y39-P137 HydrophobicContact CG-CG 4.07Å; Y39-R139 PolarHBondContact OH-NH2 2.9Å; Y39-L140 HydrophobicContact CD2-CD1 3.87Å; Y39-L140 HydrophobicContact CG-CD1 4.37Å
40K88.4Confident90.6Very high183 Ų18383.6 Ų83.680%0.79642%0.423SS*.  trans-118.8123.3167.9-69.5-176.6-179.8178.30107.8
41P86.4Confident90.7Very high56 Ų5684.5 Ų84.536%0.36443%0.426SS..  trans-53.3149.4174.7-29.436.9000112.4Y39 K43 E129 R130Y39-P41 HydrophobicContact CE1-CG 4.3Å; P41-K43 PolarHBondContact O-N 2.8Å; P41-K43 VanDerWaalsContact O-N 3.17Å; P41-E129 WeakPolarHBondContact CA-OE1 3.45Å; P41-E129 HydrophobicContact CB-CG 4.04Å; P41-E129 HydrophobicContact CG-CG 4.32Å; P41-E129 WeakPolarHBondContact CG-O 3.44Å; P41-R130 HydrophobicContact CB-CG 4.47Å
42N83.9Confident90.9Very high92 Ų9284.8 Ų84.849%0.49243%0.428SS..  trans-67.4115.5-180-176.70.9000111G44 V45 E129N42-G44 PolarHBondContact O-N 2.9Å; N42-G44 PolarHBondContact OD1-N 3.36Å; N42-V45 HydrophobicContact CB-CG2 4.07Å; N42-V45 PolarHBondContact O-N 3.46Å; N42-E129 PolarHBondContact N-OE1 2.83Å
43K79.8Confident91Very high201 Ų20177.2 Ų77.287%0.87440%0.399SS*.THydrogen-bonded Turntrans-66.3-20178.8-65.3-173.3177.7-173.20114P41 V45P41-K43 PolarHBondContact O-N 2.8Å; P41-K43 VanDerWaalsContact O-N 3.17Å; K43-V45 PolarHBondContact O-N 3.11Å
44G82.3Confident91.1Very high59 Ų5973.2 Ų73.261%0.60839%0.386SS*.THydrogen-bonded Turntrans-75-5.5178.100000114.2N42 V46N42-G44 PolarHBondContact O-N 2.9Å; N42-G44 PolarHBondContact OD1-N 3.36Å; G44-V46 PolarHBondContact O-N 2.86Å
45V85.8Confident91.2Very high30 Ų3073.1 Ų73.118%0.18239%0.385CS..  trans-80.1107.1176.4-174.70000109.1N42 K43 R130N42-V45 HydrophobicContact CB-CG2 4.07Å; N42-V45 PolarHBondContact O-N 3.46Å; K43-V45 PolarHBondContact O-N 3.11Å; V45-R130 PolarHBondContact O-NH1 3.37Å
46V87.1Confident91.3Very high91 Ų9169.4 Ų69.455%0.55237%0.369SS*.  trans-94.4150.1176.9-177.60000109.8G44 R79G44-V46 PolarHBondContact O-N 2.86Å; V46-R79 PolarHBondContact O-NH1 3.47Å; V46-R79 VanDerWaalsContact O-NH1 3.12Å
47G89.9Confident91.3Very high26 Ų2671.4 Ų71.427%0.26836%0.364SS..SBendtrans116.1167.1-179.900000112.1P49 E98 R130G47-P49 WeakPolarHBondContact O-CD 3.47Å; G47-E98 WeakPolarHBondContact CA-OE1 3.22Å; G47-R130 PolarHBondContact O-NH1 3.48Å
48D93.8Very high91.4Very high65 Ų6570.5 Ų70.535%0.34836%0.355SS..  trans-78.7118.2179.5-171.7-21.7000110.5L50 L51 T52 E98D48-L50 PolarHBondContact O-N 3.43Å; D48-L50 WeakPolarHBondContact OD1-CB 3.41Å; D48-L50 PolarHBondContact OD1-N 3.2Å; D48-L51 HydrophobicContact CB-CB 4.12Å; D48-L51 HydrophobicContact CB-CD1 4.08Å; D48-L51 HydrophobicContact CB-CG 4.06Å; D48-L51 PolarHBondContact O-N 3.26Å; D48-T52 PolarHBondContact O-N 3.41Å; D48-T52 PolarHBondContact O-OG1 2.83Å; D48-E98 PolarHBondContact N-OE1 2.87Å
49P93.1Very high91.7Very high35 Ų3559.7 Ų59.723%0.22732%0.316CS..G310 helixtrans-63.5-26.8178.228.3-36.3000113.9G47 L51 T52 R130 T131G47-P49 WeakPolarHBondContact O-CD 3.47Å; P49-L51 VanDerWaalsContact C-N 3.29Å; P49-T52 PolarHBondContact O-N 2.82Å; P49-R130 HydrophobicContact CB-CB 3.69Å; P49-R130 HydrophobicContact CG-CB 4.28Å; P49-T131 HydrophobicContact CB-CG2 3.85Å
50L94.8Very high91.8Very high115 Ų11561.6 Ų61.660%0.60234%0.335SS*.G310 helixtrans-73.5-26.8177.6-60.5177.1000111.8D48 T52 T131D48-L50 PolarHBondContact O-N 3.43Å; D48-L50 WeakPolarHBondContact OD1-CB 3.41Å; D48-L50 PolarHBondContact OD1-N 3.2Å; L50-T52 VanDerWaalsContact C-N 3.34Å; L50-T131 HydrophobicContact CD2-CG2 4.09Å
51L96.8Very high92Very high27 Ų2760.8 Ų60.814%0.14133%0.334CS..G310 helixtrans-92.33.4175.9-57.7179.7000113.5D48 P49 E98 Y99 E102 V105D48-L51 HydrophobicContact CB-CB 4.12Å; D48-L51 HydrophobicContact CB-CD1 4.08Å; D48-L51 HydrophobicContact CB-CG 4.06Å; D48-L51 PolarHBondContact O-N 3.26Å; P49-L51 VanDerWaalsContact C-N 3.29Å; L51-E98 HydrophobicContact CB-CG 4.44Å; L51-E98 WeakPolarHBondContact O-CA 3.42Å; L51-Y99 PolarHBondContact O-N 2.94Å; L51-E102 HydrophobicContact CD2-CB 3.8Å; L51-E102 HydrophobicContact CD2-CG 4.4Å; L51-V105 HydrophobicContact CB-CG2 4.26Å; L51-V105 HydrophobicContact CD2-CG2 4.05Å; L51-V105 WeakPolarHBondContact O-CG2 3.45Å
52T96.8Very high92.5Very high6 Ų658.2 Ų58.24%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-104.1123.3-176.2-57.50000111.3D48 P49 L50 F96 I97 E127D48-T52 PolarHBondContact O-N 3.41Å; D48-T52 PolarHBondContact O-OG1 2.83Å; P49-T52 PolarHBondContact O-N 2.82Å; L50-T52 VanDerWaalsContact C-N 3.34Å; T52-F96 HydrophobicContact CG2-CB 3.97Å; T52-F96 HydrophobicContact CG2-CD1 4.12Å; T52-I97 CarbonylContact C-O 3.57Å; T52-I97 WeakPolarHBondContact CA-O 3.32Å; T52-E127 WeakPolarHBondContact CB-OE2 3.31Å; T52-E127 HydrophobicContact CG2-CB 4.23Å; T52-E127 WeakPolarHBondContact CG2-OE2 3.36Å; T52-E127 WeakPolarHBondContact O-CB 3.12Å; T52-E127 PolarHBondContact O-N 3.4Å; T52-E127 VanDerWaalsContact O-N 3.11Å
53L97Very high93Very high0 Ų056.9 Ų56.90%031%0.313CS..EExtended strand (participates in β ladder)trans-92.6141.3168.9-68.1-174.4000111.5F96 I97 Y99 V105 A108 R109 V124 F126L53-F96 CarbonylContact O-C 3.56Å; L53-F96 VanDerWaalsContact O-CA 3.28Å; L53-F96 WeakPolarHBondContact O-CA 3.24Å; L53-I97 PolarHBondContact N-O 3.16Å; L53-I97 PolarHBondContact O-N 2.94Å; L53-Y99 HydrophobicContact CD1-CE2 3.96Å; L53-Y99 HydrophobicContact CG-CE2 4.47Å; L53-V105 HydrophobicContact CD1-CG1 4.42Å; L53-V105 HydrophobicContact CD2-CG1 3.48Å; L53-V105 VanDerWaalsContact CD2-CG1 3.48Å; L53-V105 HydrophobicContact CG-CG1 3.77Å; L53-A108 HydrophobicContact CD1-CB 3.5Å; L53-A108 VanDerWaalsContact CD1-CB 3.5Å; L53-R109 HydrophobicContact CD2-CB 4.03Å; L53-V124 HydrophobicContact CB-CG1 4.5Å; L53-V124 HydrophobicContact CD1-CG1 3.88Å; L53-F126 HydrophobicContact CD2-CD1 3.75Å; L53-F126 HydrophobicContact CD2-CE1 4.25Å
54F97.2Very high93.8Very high55 Ų5550.8 Ų50.824%0.24129%0.287CS..EExtended strand (participates in β ladder)trans-93.7123165.7173.6-108.3000109.1A56 Y94 F96 F123 V124 D125F54-A56 HydrophobicContact CD1-CB 4.34Å; F54-A56 HydrophobicContact CE1-CB 3.48Å; F54-A56 VanDerWaalsContact CE1-CB 3.48Å; F54-A56 HydrophobicContact CE2-CB 4.36Å; F54-A56 HydrophobicContact CZ-CB 3.51Å; F54-Y94 HydrophobicContact CD2-CD2 4.42Å; F54-Y94 AromaticContact CE2-CD2 3.7Å; F54-Y94 HydrophobicContact CE2-CD2 3.7Å; F54-Y94 HydrophobicContact CE2-CE2 4.48Å; F54-Y94 HydrophobicContact CE2-CG 4.04Å; F54-F96 HydrophobicContact CB-CE1 4.35Å; F54-F96 HydrophobicContact CD2-CD1 4.31Å; F54-F96 AromaticContact CD2-CE1 3.7Å; F54-F96 HydrophobicContact CD2-CE1 3.7Å; F54-F96 AromaticContact CD2-CZ 3.97Å; F54-F96 HydrophobicContact CD2-CZ 3.97Å; F54-F96 HydrophobicContact CE2-CZ 4.41Å; F54-F96 HydrophobicContact CG-CE1 4.49Å; F54-F123 HydrophobicContact CD1-CD1 4.26Å; F54-F123 HydrophobicContact CD1-CE1 4.15Å; F54-F123 HydrophobicContact CE1-CD1 4.13Å; F54-F123 HydrophobicContact CE1-CE1 4.19Å; F54-V124 WeakPolarHBondContact O-CA 3.16Å; F54-D125 PolarHBondContact N-O 3.21Å; F54-D125 PolarHBondContact O-N 3.15Å
55V97.2Very high94.4Very high0 Ų053.2 Ų53.20%029%0.286CS..EExtended strand (participates in β ladder)trans-116.4125.3175.8-174.90000108.2L58 F71 Y94 A95 I97 V122 F123 V124V55-L58 HydrophobicContact CG1-CD1 4.47Å; V55-L58 HydrophobicContact CG1-CD2 3.69Å; V55-L58 HydrophobicContact CG1-CG 4.23Å; V55-F71 HydrophobicContact CB-CZ 4.45Å; V55-F71 HydrophobicContact CG1-CE2 4.2Å; V55-F71 HydrophobicContact CG1-CZ 3.83Å; V55-F71 HydrophobicContact CG2-CE1 3.97Å; V55-F71 HydrophobicContact CG2-CE2 4.35Å; V55-F71 HydrophobicContact CG2-CZ 3.72Å; V55-Y94 CarbonylContact O-C 3.56Å; V55-Y94 WeakPolarHBondContact O-CA 3.19Å; V55-Y94 VanDerWaalsContact O-CB 3.24Å; V55-Y94 WeakPolarHBondContact O-CB 3.47Å; V55-A95 PolarHBondContact N-O 3.34Å; V55-A95 PolarHBondContact O-N 2.99Å; V55-I97 HydrophobicContact CG2-CD1 3.91Å; V55-I97 HydrophobicContact CG2-CG1 4.29Å; V55-V122 HydrophobicContact CG1-CB 4.24Å; V55-F123 CarbonylContact C-O 3.39Å; V55-F123 VanDerWaalsContact CA-O 3.32Å; V55-F123 WeakPolarHBondContact CA-O 3.33Å; V55-V124 HydrophobicContact CG1-CG2 4.3Å; V55-V124 HydrophobicContact CG2-CG1 4.44Å; V55-V124 HydrophobicContact CG2-CG2 4.35Å
56A95.9Very high94.9Very high13 Ų1356.1 Ų56.111%0.10730%0.297CS..EExtended strand (participates in β ladder)trans-133.3177.8-178.200000112.3F54 L58 G93 V122 F123F54-A56 HydrophobicContact CD1-CB 4.34Å; F54-A56 HydrophobicContact CE1-CB 3.48Å; F54-A56 VanDerWaalsContact CE1-CB 3.48Å; F54-A56 HydrophobicContact CE2-CB 4.36Å; F54-A56 HydrophobicContact CZ-CB 3.51Å; A56-L58 PolarHBondContact O-N 2.99Å; A56-G93 CarbonylContact C-O 3.59Å; A56-V122 WeakPolarHBondContact O-CA 3.42Å; A56-F123 HydrophobicContact CB-CB 4.44Å; A56-F123 HydrophobicContact CB-CD1 4.26Å; A56-F123 PolarHBondContact N-O 3.33Å; A56-F123 PolarHBondContact O-N 2.9Å
57R95.1Very high95.3Very high120 Ų12051.8 Ų51.845%0.45327%0.27SS..SBendtrans60.229.5-175-51.2179.8-172166.53.4112.1G93 E121 F123 D159R57-G93 PolarHBondContact N-O 2.93Å; R57-G93 VanDerWaalsContact N-O 3.11Å; R57-E121 WeakPolarHBondContact CB-O 3.23Å; R57-F123 HydrophobicContact CG-CB 4.15Å; R57-D159 IonicContact CZ-OD1 3.07Å; R57-D159 IonicContact NH1-OD1 3.74Å; R57-D159 IonicContact NH2-OD1 2.65Å; R57-D159 PolarHBondContact NH2-OD1 3.23Å; R57-D159 IonicContact NH2-OD2 2.75Å; R57-D159 PolarHBondContact NH2-OD2 3.33Å
58L96.6Very high95.7Very high7 Ų755.1 Ų55.14%0.03728%0.279CS..  trans-69148.5174-60.5176000110V55 A56 L67 L82 G93 A95 V122V55-L58 HydrophobicContact CG1-CD1 4.47Å; V55-L58 HydrophobicContact CG1-CD2 3.69Å; V55-L58 HydrophobicContact CG1-CG 4.23Å; A56-L58 PolarHBondContact O-N 2.99Å; L58-L67 HydrophobicContact CD1-CD1 3.78Å; L58-L67 HydrophobicContact CD1-CD2 4.1Å; L58-L67 HydrophobicContact CD2-CD2 3.68Å; L58-L82 HydrophobicContact CD1-CD1 3.84Å; L58-G93 PolarHBondContact N-O 3.11Å; L58-A95 HydrophobicContact CD1-CB 3.91Å; L58-V122 HydrophobicContact CD2-CB 4.25Å; L58-V122 HydrophobicContact CD2-CG1 3.62Å
59N95.9Very high95.8Very high22 Ų2257.1 Ų57.112%0.11829%0.293CS..  trans-61.8135.7168.4-176.8-32.7000108.7Q61 T62 D118 H120N59-Q61 PolarHBondContact O-N 3.35Å; N59-Q61 PolarHBondContact OD1-N 3Å; N59-T62 WeakPolarHBondContact CB-OG1 3.34Å; N59-T62 WeakPolarHBondContact O-CB 3.39Å; N59-T62 PolarHBondContact O-N 3.47Å; N59-T62 PolarHBondContact O-OG1 2.9Å; N59-D118 HydrophobicContact CB-CB 3.92Å; N59-D118 PolarHBondContact ND2-O 3.38Å; N59-H120 HydrophobicContact CB-CB 4.44Å
60P93.6Very high95.9Very high90 Ų9056.6 Ų56.658%0.58429%0.289SS*.THydrogen-bonded Turntrans-54.4-24.4176.3-28.235.5000114.9S91P60-S91 WeakPolarHBondContact O-CB 3.4Å
61Q93.6Very high96Very high166 Ų16651.1 Ų51.178%0.77626%0.261SS*.THydrogen-bonded Turntrans-87.7-10.3177.9-62.4-174.4-47.400113.9N59 T63N59-Q61 PolarHBondContact O-N 3.35Å; N59-Q61 PolarHBondContact OD1-N 3Å; Q61-T63 PolarHBondContact O-N 3.49Å
62T95.4Very high96Very high3 Ų352.4 Ų52.42%0.01827%0.272CS..  trans-63.6129.5179.7-61.40000110.7N59 K66 L67 L82 V117 D118N59-T62 WeakPolarHBondContact CB-OG1 3.34Å; N59-T62 WeakPolarHBondContact O-CB 3.39Å; N59-T62 PolarHBondContact O-N 3.47Å; N59-T62 PolarHBondContact O-OG1 2.9Å; T62-K66 HydrophobicContact CG2-CB 4.3Å; T62-K66 HydrophobicContact CG2-CG 4.36Å; T62-L67 HydrophobicContact CG2-CD1 4.41Å; T62-L67 HydrophobicContact CG2-CD2 3.78Å; T62-L67 HydrophobicContact CG2-CG 3.78Å; T62-L82 WeakPolarHBondContact O-CD2 3.28Å; T62-V117 HydrophobicContact CG2-CG1 4.32Å; T62-D118 WeakPolarHBondContact CB-OD2 3.18Å; T62-D118 PolarHBondContact OG1-OD2 3.37Å
63T95.6Very high96Very high64 Ų6457.6 Ų57.639%0.39329%0.294SS..  trans-94163.8179.963.20000112.5Q61 D65 K66 L67Q61-T63 PolarHBondContact O-N 3.49Å; T63-D65 VanDerWaalsContact C-N 3.32Å; T63-D65 PolarHBondContact O-N 2.87Å; T63-K66 PolarHBondContact O-N 3.49Å; T63-K66 PolarHBondContact OG1-N 3.12Å; T63-L67 WeakPolarHBondContact O-CG 3.36Å; T63-L67 PolarHBondContact O-N 3.48Å
64E95.6Very high96Very high73 Ų7358.4 Ų58.434%0.34130%0.297SS..Hα-helixtrans-61-41.1174.3-73.5-172.8158.400111.8K66 L67 Q68 L80 L82E64-K66 VanDerWaalsContact C-N 3.31Å; E64-K66 PolarHBondContact O-N 2.66Å; E64-L67 PolarHBondContact O-N 3.44Å; E64-Q68 WeakPolarHBondContact O-CB 3.42Å; E64-Q68 PolarHBondContact O-N 3.16Å; E64-L80 HydrophobicContact CB-CD2 3.73Å; E64-L80 HydrophobicContact CG-CD2 3.62Å; E64-L82 HydrophobicContact CG-CB 3.37Å; E64-L82 HydrophobicContact CG-CD2 4.07Å; E64-L82 HydrophobicContact CG-CG 4.38Å; E64-L82 VanDerWaalsContact OE1-CB 3.28Å; E64-L82 WeakPolarHBondContact OE1-CB 3.39Å; E64-L82 PolarHBondContact OE1-N 3.39Å
65D96Very high95.9Very high110 Ų11056.6 Ų56.659%0.58829%0.294SS*.Hα-helixtrans-61.5-39177.8-52.9-79.3000112.6T63 Q68 T69T63-D65 VanDerWaalsContact C-N 3.32Å; T63-D65 PolarHBondContact O-N 2.87Å; D65-Q68 PolarHBondContact O-N 3.44Å; D65-T69 WeakPolarHBondContact O-CB 3.07Å; D65-T69 PolarHBondContact O-N 3.37Å; D65-T69 PolarHBondContact O-OG1 2.79Å
66K95.9Very high95.9Very high91 Ų9161.2 Ų61.240%0.39632%0.319SS..Hα-helixtrans-64.7-45.7176.6-175.162.2170.6-1720110.7T62 T63 E64 Q68 T69 V70 V117T62-K66 HydrophobicContact CG2-CB 4.3Å; T62-K66 HydrophobicContact CG2-CG 4.36Å; T63-K66 PolarHBondContact O-N 3.49Å; T63-K66 PolarHBondContact OG1-N 3.12Å; E64-K66 VanDerWaalsContact C-N 3.31Å; E64-K66 PolarHBondContact O-N 2.66Å; K66-Q68 VanDerWaalsContact C-N 3.35Å; K66-T69 PolarHBondContact O-N 3.32Å; K66-V70 HydrophobicContact CD-CG2 4.5Å; K66-V70 VanDerWaalsContact O-CG2 3.3Å; K66-V70 WeakPolarHBondContact O-CG2 3.26Å; K66-V70 PolarHBondContact O-N 2.96Å; K66-V117 HydrophobicContact CG-CG1 4.34Å
67L96.6Very high96Very high0 Ų062 Ų620%032%0.321CS..Hα-helixtrans-62.4-44175.9-65.8172.8000111L58 T62 T63 E64 T69 V70 F71 L80 L82 A95L58-L67 HydrophobicContact CD1-CD1 3.78Å; L58-L67 HydrophobicContact CD1-CD2 4.1Å; L58-L67 HydrophobicContact CD2-CD2 3.68Å; T62-L67 HydrophobicContact CG2-CD1 4.41Å; T62-L67 HydrophobicContact CG2-CD2 3.78Å; T62-L67 HydrophobicContact CG2-CG 3.78Å; T63-L67 WeakPolarHBondContact O-CG 3.36Å; T63-L67 PolarHBondContact O-N 3.48Å; E64-L67 PolarHBondContact O-N 3.44Å; L67-T69 VanDerWaalsContact C-N 3.32Å; L67-T69 PolarHBondContact O-N 2.81Å; L67-V70 PolarHBondContact O-N 2.98Å; L67-F71 HydrophobicContact CB-CD2 4.49Å; L67-F71 HydrophobicContact CD2-CD2 4.38Å; L67-F71 HydrophobicContact CD2-CE2 4.07Å; L67-F71 VanDerWaalsContact O-CB 3.32Å; L67-F71 WeakPolarHBondContact O-CB 3.42Å; L67-F71 WeakPolarHBondContact O-CD2 3.37Å; L67-F71 PolarHBondContact O-N 2.77Å; L67-L80 HydrophobicContact CB-CD1 3.76Å; L67-L82 HydrophobicContact CD1-CD1 4.12Å; L67-A95 HydrophobicContact CD1-CB 3.77Å
68Q96.9Very high96.1Very high96 Ų9664.4 Ų64.445%0.44933%0.33SS..Hα-helixtrans-58.4-46.9177.1-171.4174.112.100110.8E64 D65 K66 V70 F71 S72 I77 L80E64-Q68 WeakPolarHBondContact O-CB 3.42Å; E64-Q68 PolarHBondContact O-N 3.16Å; D65-Q68 PolarHBondContact O-N 3.44Å; K66-Q68 VanDerWaalsContact C-N 3.35Å; Q68-V70 PolarHBondContact O-N 3.16Å; Q68-F71 PolarHBondContact O-N 2.9Å; Q68-S72 WeakPolarHBondContact O-CB 3.36Å; Q68-S72 PolarHBondContact O-N 3Å; Q68-S72 PolarHBondContact O-OG 3.35Å; Q68-I77 HydrophobicContact CG-CD1 4.3Å; Q68-L80 HydrophobicContact CB-CD1 4.17Å
69T96.5Very high96Very high106 Ų10669.4 Ų69.465%0.6535%0.348SS*.Hα-helixtrans-59.8-45.9178.1-56.80000111.8D65 K66 L67D65-T69 WeakPolarHBondContact O-CB 3.07Å; D65-T69 PolarHBondContact O-N 3.37Å; D65-T69 PolarHBondContact O-OG1 2.79Å; K66-T69 PolarHBondContact O-N 3.32Å; L67-T69 VanDerWaalsContact C-N 3.32Å; L67-T69 PolarHBondContact O-N 2.81Å
70V96.1Very high96Very high24 Ų2470 Ų7015%0.14535%0.351CS..Hα-helixtrans-70.3-39.6-177.3171.60000112.1K66 L67 Q68 K73 L115 V117K66-V70 HydrophobicContact CD-CG2 4.5Å; K66-V70 VanDerWaalsContact O-CG2 3.3Å; K66-V70 WeakPolarHBondContact O-CG2 3.26Å; K66-V70 PolarHBondContact O-N 2.96Å; L67-V70 PolarHBondContact O-N 2.98Å; Q68-V70 PolarHBondContact O-N 3.16Å; V70-K73 VanDerWaalsContact O-CD 3.28Å; V70-K73 WeakPolarHBondContact O-CD 3.1Å; V70-K73 WeakPolarHBondContact O-CE 3.42Å; V70-K73 VanDerWaalsContact O-CG 3.25Å; V70-K73 WeakPolarHBondContact O-CG 3.24Å; V70-L115 HydrophobicContact CG1-CD2 3.51Å; V70-V117 HydrophobicContact CG1-CG2 4.18Å
71F96.8Very high96.1Very high0 Ų070.2 Ų70.20%034%0.34CS..Hα-helixtrans-91.3-18.8-172.9-79.7-89.3000114V55 L67 Q68 K73 Y74 I77 I97 Y99 A112 V124V55-F71 HydrophobicContact CB-CZ 4.45Å; V55-F71 HydrophobicContact CG1-CE2 4.2Å; V55-F71 HydrophobicContact CG1-CZ 3.83Å; V55-F71 HydrophobicContact CG2-CE1 3.97Å; V55-F71 HydrophobicContact CG2-CE2 4.35Å; V55-F71 HydrophobicContact CG2-CZ 3.72Å; L67-F71 HydrophobicContact CB-CD2 4.49Å; L67-F71 HydrophobicContact CD2-CD2 4.38Å; L67-F71 HydrophobicContact CD2-CE2 4.07Å; L67-F71 VanDerWaalsContact O-CB 3.32Å; L67-F71 WeakPolarHBondContact O-CB 3.42Å; L67-F71 WeakPolarHBondContact O-CD2 3.37Å; L67-F71 PolarHBondContact O-N 2.77Å; Q68-F71 PolarHBondContact O-N 2.9Å; F71-K73 PolarHBondContact O-N 2.94Å; F71-Y74 HydrophobicContact CD1-CD2 4.18Å; F71-Y74 HydrophobicContact CD1-CE2 4.26Å; F71-Y74 PolarHBondContact O-N 3.43Å; F71-I77 HydrophobicContact CB-CD1 3.93Å; F71-I97 HydrophobicContact CB-CD1 3.79Å; F71-I97 HydrophobicContact CD1-CD1 3.77Å; F71-I97 HydrophobicContact CD2-CD1 3.58Å; F71-I97 HydrophobicContact CE1-CD1 4.22Å; F71-I97 HydrophobicContact CE2-CD1 4.06Å; F71-I97 HydrophobicContact CG-CD1 3.42Å; F71-I97 VanDerWaalsContact CG-CD1 3.42Å; F71-I97 HydrophobicContact CZ-CD1 4.36Å; F71-Y99 WeakPolarHBondContact CB-OH 3.34Å; F71-Y99 PolarHBondContact O-OH 3.22Å; F71-A112 HydrophobicContact CD1-CB 4.48Å; F71-A112 HydrophobicContact CE1-CB 3.74Å; F71-A112 HydrophobicContact CZ-CB 4.3Å; F71-V124 HydrophobicContact CE1-CG2 4.16Å; F71-V124 HydrophobicContact CZ-CG2 4.05Å
72S96.5Very high96.2Very high54 Ų5462.7 Ų62.738%0.37831%0.305SS..G310 helixtrans-62.1-23.3173.8-73.70000112.9Q68 Y74 G75Q68-S72 WeakPolarHBondContact O-CB 3.36Å; Q68-S72 PolarHBondContact O-N 3Å; Q68-S72 PolarHBondContact O-OG 3.35Å; S72-Y74 PolarHBondContact O-N 2.56Å; S72-Y74 VanDerWaalsContact O-N 3.15Å; S72-G75 PolarHBondContact O-N 2.99Å; S72-G75 VanDerWaalsContact O-N 3.16Å
73K96.3Very high96.2Very high116 Ų11663.4 Ų63.450%0.50431%0.31SS..G310 helixtrans-64-19177.277.8-170.5179.6176.20114V70 F71V70-K73 VanDerWaalsContact O-CD 3.28Å; V70-K73 WeakPolarHBondContact O-CD 3.1Å; V70-K73 WeakPolarHBondContact O-CE 3.42Å; V70-K73 VanDerWaalsContact O-CG 3.25Å; V70-K73 WeakPolarHBondContact O-CG 3.24Å; F71-K73 PolarHBondContact O-N 2.94Å
74Y96.6Very high96.1Very high17 Ų1766 Ų667%0.06731%0.312CS..G310 helixtrans-93-17179.5-56.5-71.7000112.8F71 S72 S104 R107 A108 D111 A112F71-Y74 HydrophobicContact CD1-CD2 4.18Å; F71-Y74 HydrophobicContact CD1-CE2 4.26Å; F71-Y74 PolarHBondContact O-N 3.43Å; S72-Y74 PolarHBondContact O-N 2.56Å; S72-Y74 VanDerWaalsContact O-N 3.15Å; Y74-S104 WeakPolarHBondContact O-CB 3.2Å; Y74-S104 PolarHBondContact O-OG 3.21Å; Y74-R107 HydrophobicContact CD1-CG 4.26Å; Y74-A108 HydrophobicContact CD1-CB 4.43Å; Y74-A108 HydrophobicContact CD2-CB 3.92Å; Y74-A108 HydrophobicContact CG-CB 3.8Å; Y74-D111 HydrophobicContact CD1-CB 4.45Å; Y74-D111 HydrophobicContact CE1-CB 3.68Å; Y74-D111 PolarHBondContact OH-O 3.17Å; Y74-A112 HydrophobicContact CD2-CB 4.48Å; Y74-A112 HydrophobicContact CE2-CB 3.59Å; Y74-A112 WeakPolarHBondContact OH-CA 3.27Å; Y74-A112 WeakPolarHBondContact OH-CB 3.32Å
75G96.2Very high96Very high17 Ų1764.5 Ų64.518%0.17531%0.307CS..SBendtrans154.2-179.817700000113.2S72 I77 Y99S72-G75 PolarHBondContact O-N 2.99Å; S72-G75 VanDerWaalsContact O-N 3.16Å; G75-I77 PolarHBondContact O-N 2.86Å; G75-Y99 WeakPolarHBondContact O-CE1 3.28Å
76D97.3Very high95.7Very high97 Ų9767.3 Ų67.352%0.51932%0.32SS..  trans-68.7118-178-83.88.2000112.1Y99 K100D76-Y99 WeakPolarHBondContact O-CA 3.48Å; D76-Y99 WeakPolarHBondContact O-CD1 3.29Å; D76-K100 HydrophobicContact CB-CB 4.33Å; D76-K100 HydrophobicContact CB-CD 3.69Å; D76-K100 HydrophobicContact CB-CG 4.02Å; D76-K100 PolarHBondContact O-N 2.84Å; D76-K100 IonicContact OD2-NZ 2.81Å; D76-K100 PolarHBondContact OD2-NZ 3.47Å
77I97.5Very high95.6Very high29 Ų2969.1 Ų69.115%0.14934%0.338CS..EExtended strand (participates in β ladder)trans-80.4123.7173.9-60.3173.3000108.7Q68 F71 G75 R79 L80 I97 Y99Q68-I77 HydrophobicContact CG-CD1 4.3Å; F71-I77 HydrophobicContact CB-CD1 3.93Å; G75-I77 PolarHBondContact O-N 2.86Å; I77-R79 WeakPolarHBondContact CG2-O 3.47Å; I77-L80 HydrophobicContact CG2-CB 4.22Å; I77-I97 HydrophobicContact CD1-CG2 4.04Å; I77-I97 HydrophobicContact CG1-CG2 3.94Å; I77-I97 HydrophobicContact CG2-CG2 3.89Å; I77-Y99 HydrophobicContact CG1-CD1 4.27Å; I77-Y99 HydrophobicContact CG1-CE1 3.85Å
78R96.6Very high95.4Very high170 Ų17073 Ų7364%0.64236%0.362SS*.EExtended strand (participates in β ladder)trans-82.6-39.8172.4-175.6174.8-175.11581.4111.4E98 K100R78-E98 HydrophobicContact CB-CG 4.3Å; R78-E98 PolarHBondContact N-O 3.41Å; R78-K100 HydrophobicContact CB-CG 4.04Å
79R95.4Very high95.1Very high113 Ų11370.1 Ų70.143%0.42636%0.359SS..EExtended strand (participates in β ladder)trans-152.4140.1-178.6-171.2-174.9-62.2-146.6-10110.4V46 I77 E98V46-R79 PolarHBondContact O-NH1 3.47Å; V46-R79 VanDerWaalsContact O-NH1 3.12Å; I77-R79 WeakPolarHBondContact CG2-O 3.47Å; R79-E98 HydrophobicContact CB-CB 3.95Å; R79-E98 WeakPolarHBondContact CB-OE2 3.32Å; R79-E98 PolarHBondContact N-O 2.82Å; R79-E98 VanDerWaalsContact N-O 3.14Å; R79-E98 IonicContact NE-OE2 3.54Å; R79-E98 PolarHBondContact O-N 3.48Å
80L96.3Very high94.9Very high34 Ų3472.5 Ų72.518%0.17836%0.36CS..EExtended strand (participates in β ladder)trans-127135.7171-171.1148.9000108.5E64 L67 Q68 I77 F96 I97E64-L80 HydrophobicContact CB-CD2 3.73Å; E64-L80 HydrophobicContact CG-CD2 3.62Å; L67-L80 HydrophobicContact CB-CD1 3.76Å; Q68-L80 HydrophobicContact CB-CD1 4.17Å; I77-L80 HydrophobicContact CG2-CB 4.22Å; L80-F96 WeakPolarHBondContact CA-O 3.3Å; L80-I97 HydrophobicContact CD1-CD1 4.14Å; L80-I97 HydrophobicContact CD1-CG1 4.11Å; L80-I97 HydrophobicContact CG-CG1 4.17Å
81R94.8Very high94.8Very high94 Ų9472.2 Ų72.236%0.35536%0.359SS..EExtended strand (participates in β ladder)trans-137.8107.2176.2-175.5-178.971.7133.9-2.6110.3A95 F96R81-A95 CarbonylContact O-C 3.51Å; R81-A95 VanDerWaalsContact O-CA 3.24Å; R81-A95 WeakPolarHBondContact O-CA 3.38Å; R81-F96 PolarHBondContact N-O 3.29Å; R81-F96 VanDerWaalsContact NH2-CD2 3.29Å; R81-F96 VanDerWaalsContact NH2-CE2 3.26Å; R81-F96 PolarHBondContact O-N 2.87Å
82L95.8Very high94.7Very high8 Ų877.2 Ų77.24%0.04238%0.381CS..EExtended strand (participates in β ladder)trans-81.4122.8168.6179.664.1000109.1L58 T62 E64 L67 R84 A95L58-L82 HydrophobicContact CD1-CD1 3.84Å; T62-L82 WeakPolarHBondContact O-CD2 3.28Å; E64-L82 HydrophobicContact CG-CB 3.37Å; E64-L82 HydrophobicContact CG-CD2 4.07Å; E64-L82 HydrophobicContact CG-CG 4.38Å; E64-L82 VanDerWaalsContact OE1-CB 3.28Å; E64-L82 WeakPolarHBondContact OE1-CB 3.39Å; E64-L82 PolarHBondContact OE1-N 3.39Å; L67-L82 HydrophobicContact CD1-CD1 4.12Å; L82-R84 PolarHBondContact O-N 3.45Å; L82-A95 HydrophobicContact CB-CB 4.48Å; L82-A95 HydrophobicContact CD1-CB 4Å
83V94.6Very high94.6Very high18 Ų1875.2 Ų75.211%0.10937%0.369CS..EExtended strand (participates in β ladder)trans-81.7121.8-178.2-176.10000109.9K92 Y94 F96V83-K92 HydrophobicContact CG1-CD 4.26Å; V83-K92 PolarHBondContact O-N 2.94Å; V83-Y94 HydrophobicContact CB-CD2 4.04Å; V83-Y94 HydrophobicContact CB-CE1 4.26Å; V83-Y94 HydrophobicContact CB-CE2 3.59Å; V83-Y94 HydrophobicContact CG1-CE1 4.3Å; V83-Y94 HydrophobicContact CG1-CE2 3.98Å; V83-Y94 WeakPolarHBondContact CG1-OH 3.25Å; V83-Y94 HydrophobicContact CG2-CD2 3.88Å; V83-Y94 HydrophobicContact CG2-CE2 3.42Å; V83-Y94 VanDerWaalsContact CG2-CE2 3.42Å; V83-Y94 PolarHBondContact N-O 3.41Å; V83-F96 HydrophobicContact CG2-CD2 3.93Å; V83-F96 HydrophobicContact CG2-CE2 3.81Å
84R94.6Very high94.6Very high118 Ų11872.8 Ų72.845%0.44536%0.357SS..EExtended strand (participates in β ladder)trans-111.8158.5177.2-64172.4-176.6-104.44.5110.7L82 G89 F90L82-R84 PolarHBondContact O-N 3.45Å; R84-G89 PolarHBondContact NH1-O 3.3Å; R84-F90 CarbonylContact C-O 3.48Å; R84-F90 VanDerWaalsContact CA-O 3.26Å; R84-F90 WeakPolarHBondContact CA-O 3.44Å
85D93.3Very high94.6Very high43 Ų4372 Ų7223%0.2335%0.354CS..  trans-71.5134.6167-162.2-83.2000110.8V87 T88 G89 F90 K92D85-V87 VanDerWaalsContact C-N 3.28Å; D85-V87 PolarHBondContact O-N 3.34Å; D85-V87 PolarHBondContact OD1-N 3.27Å; D85-T88 WeakPolarHBondContact CB-OG1 3.02Å; D85-T88 PolarHBondContact OD1-N 2.97Å; D85-G89 WeakPolarHBondContact O-CA 3.31Å; D85-G89 PolarHBondContact O-N 3.17Å; D85-F90 PolarHBondContact N-O 3.05Å; D85-K92 VanDerWaalsContact CA-CE 3.48Å; D85-K92 WeakPolarHBondContact OD2-CE 3.31Å; D85-K92 IonicContact OD2-NZ 2.9Å; D85-K92 PolarHBondContact OD2-NZ 3.07Å
86I89.6Confident94.7Very high169 Ų16972.3 Ų72.387%0.86735%0.351SS*.THydrogen-bonded Turntrans-71.9-24.5-175.960.7175.4000112.5
87V92.7Very high94.7Very high128 Ų12867.7 Ų67.778%0.77633%0.326SS*.THydrogen-bonded Turntrans-91.3-49.4-178.2-175.30000109.9D85D85-V87 VanDerWaalsContact C-N 3.28Å; D85-V87 PolarHBondContact O-N 3.34Å; D85-V87 PolarHBondContact OD1-N 3.27Å
88T92.8Very high94.7Very high81 Ų8166.6 Ų66.650%0.49732%0.32SS..THydrogen-bonded Turntrans-93.8-16-173.366.50000114D85 F90D85-T88 WeakPolarHBondContact CB-OG1 3.02Å; D85-T88 PolarHBondContact OD1-N 2.97Å; T88-F90 VanDerWaalsContact CB-CD2 3.48Å; T88-F90 HydrophobicContact CG2-CD2 4.4Å; T88-F90 PolarHBondContact O-N 3.11Å; T88-F90 VanDerWaalsContact O-N 3.13Å; T88-F90 WeakPolarHBondContact OG1-CD2 3.36Å; T88-F90 PolarHBondContact OG1-N 3Å
89G91.2Very high94.7Very high37 Ų3758.5 Ų58.538%0.38129%0.29SS..  trans72-5.2-175.200000114.7R84 D85R84-G89 PolarHBondContact NH1-O 3.3Å; D85-G89 WeakPolarHBondContact O-CA 3.31Å; D85-G89 PolarHBondContact O-N 3.17Å
90F92.2Very high94.8Very high156 Ų15658.7 Ų58.768%0.68429%0.294SS*.  trans-69.6146.3-180-68.8-56.1000111.9R84 D85 T88 K92R84-F90 CarbonylContact C-O 3.48Å; R84-F90 VanDerWaalsContact CA-O 3.26Å; R84-F90 WeakPolarHBondContact CA-O 3.44Å; D85-F90 PolarHBondContact N-O 3.05Å; T88-F90 VanDerWaalsContact CB-CD2 3.48Å; T88-F90 HydrophobicContact CG2-CD2 4.4Å; T88-F90 PolarHBondContact O-N 3.11Å; T88-F90 VanDerWaalsContact O-N 3.13Å; T88-F90 WeakPolarHBondContact OG1-CD2 3.36Å; T88-F90 PolarHBondContact OG1-N 3Å; F90-K92 PolarHBondContact O-N 3.17Å
91S94.4Very high94.9Very high18 Ų1862.7 Ų62.713%0.12631%0.311CS..EExtended strand (participates in β ladder)trans-62.2134.5174.9-179.90000110.7P60 G93P60-S91 WeakPolarHBondContact O-CB 3.4Å; S91-G93 PolarHBondContact O-N 3.3Å; S91-G93 PolarHBondContact OG-N 2.72Å; S91-G93 VanDerWaalsContact OG-N 3.12Å
92K94.1Very high94.9Very high104 Ų10464.8 Ų64.845%0.45233%0.325SS..EExtended strand (participates in β ladder)trans-80.42.9170.8-63.6-162172.3-174.10112.8V83 D85 F90 Y94V83-K92 HydrophobicContact CG1-CD 4.26Å; V83-K92 PolarHBondContact O-N 2.94Å; D85-K92 VanDerWaalsContact CA-CE 3.48Å; D85-K92 WeakPolarHBondContact OD2-CE 3.31Å; D85-K92 IonicContact OD2-NZ 2.9Å; D85-K92 PolarHBondContact OD2-NZ 3.07Å; F90-K92 PolarHBondContact O-N 3.17Å; K92-Y94 HydrophobicContact CB-CD1 3.73Å; K92-Y94 HydrophobicContact CB-CE1 3.41Å; K92-Y94 VanDerWaalsContact CB-CE1 3.41Å; K92-Y94 HydrophobicContact CD-CE1 4.22Å; K92-Y94 HydrophobicContact CG-CE1 4.38Å; K92-Y94 WeakPolarHBondContact O-CD1 3.44Å
93G95Very high94.9Very high12 Ų1274.5 Ų74.512%0.12436%0.361CS..EExtended strand (participates in β ladder)trans76.520.517800000113.9A56 R57 L58 S91A56-G93 CarbonylContact C-O 3.59Å; R57-G93 PolarHBondContact N-O 2.93Å; R57-G93 VanDerWaalsContact N-O 3.11Å; L58-G93 PolarHBondContact N-O 3.11Å; S91-G93 PolarHBondContact O-N 3.3Å; S91-G93 PolarHBondContact OG-N 2.72Å; S91-G93 VanDerWaalsContact OG-N 3.12Å
94Y96.2Very high95.1Very high66 Ų6674.1 Ų74.126%0.25936%0.36SS..EExtended strand (participates in β ladder)trans-147.6151.5173.970-88000112.8F54 V55 V83 K92 F96F54-Y94 HydrophobicContact CD2-CD2 4.42Å; F54-Y94 AromaticContact CE2-CD2 3.7Å; F54-Y94 HydrophobicContact CE2-CD2 3.7Å; F54-Y94 HydrophobicContact CE2-CE2 4.48Å; F54-Y94 HydrophobicContact CE2-CG 4.04Å; V55-Y94 CarbonylContact O-C 3.56Å; V55-Y94 WeakPolarHBondContact O-CA 3.19Å; V55-Y94 VanDerWaalsContact O-CB 3.24Å; V55-Y94 WeakPolarHBondContact O-CB 3.47Å; V83-Y94 HydrophobicContact CB-CD2 4.04Å; V83-Y94 HydrophobicContact CB-CE1 4.26Å; V83-Y94 HydrophobicContact CB-CE2 3.59Å; V83-Y94 HydrophobicContact CG1-CE1 4.3Å; V83-Y94 HydrophobicContact CG1-CE2 3.98Å; V83-Y94 WeakPolarHBondContact CG1-OH 3.25Å; V83-Y94 HydrophobicContact CG2-CD2 3.88Å; V83-Y94 HydrophobicContact CG2-CE2 3.42Å; V83-Y94 VanDerWaalsContact CG2-CE2 3.42Å; V83-Y94 PolarHBondContact N-O 3.41Å; K92-Y94 HydrophobicContact CB-CD1 3.73Å; K92-Y94 HydrophobicContact CB-CE1 3.41Å; K92-Y94 VanDerWaalsContact CB-CE1 3.41Å; K92-Y94 HydrophobicContact CD-CE1 4.22Å; K92-Y94 HydrophobicContact CG-CE1 4.38Å; K92-Y94 WeakPolarHBondContact O-CD1 3.44Å; Y94-F96 AromaticContact CD2-CE2 3.96Å; Y94-F96 HydrophobicContact CD2-CE2 3.96Å; Y94-F96 HydrophobicContact CD2-CZ 4.36Å; Y94-F96 AromaticContact CE2-CE2 3.73Å; Y94-F96 HydrophobicContact CE2-CE2 3.73Å; Y94-F96 HydrophobicContact CE2-CZ 4.19Å
95A96.9Very high95.2Very high0 Ų068.5 Ų68.50%034%0.338CS..EExtended strand (participates in β ladder)trans-137.8162.2-177.800000111.3V55 L58 L67 R81 L82V55-A95 PolarHBondContact N-O 3.34Å; V55-A95 PolarHBondContact O-N 2.99Å; L58-A95 HydrophobicContact CD1-CB 3.91Å; L67-A95 HydrophobicContact CD1-CB 3.77Å; R81-A95 CarbonylContact O-C 3.51Å; R81-A95 VanDerWaalsContact O-CA 3.24Å; R81-A95 WeakPolarHBondContact O-CA 3.38Å; L82-A95 HydrophobicContact CB-CB 4.48Å; L82-A95 HydrophobicContact CD1-CB 4Å
96F97.1Very high95.3Very high23 Ų2369.1 Ų69.110%0.10135%0.346CS..EExtended strand (participates in β ladder)trans-118.4133.1170.1-62.7-87.4000109.7T52 L53 F54 L80 R81 V83 Y94 E127T52-F96 HydrophobicContact CG2-CB 3.97Å; T52-F96 HydrophobicContact CG2-CD1 4.12Å; L53-F96 CarbonylContact O-C 3.56Å; L53-F96 VanDerWaalsContact O-CA 3.28Å; L53-F96 WeakPolarHBondContact O-CA 3.24Å; F54-F96 HydrophobicContact CB-CE1 4.35Å; F54-F96 HydrophobicContact CD2-CD1 4.31Å; F54-F96 AromaticContact CD2-CE1 3.7Å; F54-F96 HydrophobicContact CD2-CE1 3.7Å; F54-F96 AromaticContact CD2-CZ 3.97Å; F54-F96 HydrophobicContact CD2-CZ 3.97Å; F54-F96 HydrophobicContact CE2-CZ 4.41Å; F54-F96 HydrophobicContact CG-CE1 4.49Å; L80-F96 WeakPolarHBondContact CA-O 3.3Å; R81-F96 PolarHBondContact N-O 3.29Å; R81-F96 VanDerWaalsContact NH2-CD2 3.29Å; R81-F96 VanDerWaalsContact NH2-CE2 3.26Å; R81-F96 PolarHBondContact O-N 2.87Å; V83-F96 HydrophobicContact CG2-CD2 3.93Å; V83-F96 HydrophobicContact CG2-CE2 3.81Å; Y94-F96 AromaticContact CD2-CE2 3.96Å; Y94-F96 HydrophobicContact CD2-CE2 3.96Å; Y94-F96 HydrophobicContact CD2-CZ 4.36Å; Y94-F96 AromaticContact CE2-CE2 3.73Å; Y94-F96 HydrophobicContact CE2-CE2 3.73Å; Y94-F96 HydrophobicContact CE2-CZ 4.19Å; F96-E127 HydrophobicContact CD1-CG 4.33Å; F96-E127 HydrophobicContact CE1-CG 4.06Å
97I97.3Very high95.6Very high0 Ų067.6 Ų67.60%033%0.329CS..EExtended strand (participates in β ladder)trans-125.8112.4-178.7-54.3-178.5000108.1T52 L53 V55 F71 I77 L80 Y99T52-I97 CarbonylContact C-O 3.57Å; T52-I97 WeakPolarHBondContact CA-O 3.32Å; L53-I97 PolarHBondContact N-O 3.16Å; L53-I97 PolarHBondContact O-N 2.94Å; V55-I97 HydrophobicContact CG2-CD1 3.91Å; V55-I97 HydrophobicContact CG2-CG1 4.29Å; F71-I97 HydrophobicContact CB-CD1 3.79Å; F71-I97 HydrophobicContact CD1-CD1 3.77Å; F71-I97 HydrophobicContact CD2-CD1 3.58Å; F71-I97 HydrophobicContact CE1-CD1 4.22Å; F71-I97 HydrophobicContact CE2-CD1 4.06Å; F71-I97 HydrophobicContact CG-CD1 3.42Å; F71-I97 VanDerWaalsContact CG-CD1 3.42Å; F71-I97 HydrophobicContact CZ-CD1 4.36Å; I77-I97 HydrophobicContact CD1-CG2 4.04Å; I77-I97 HydrophobicContact CG1-CG2 3.94Å; I77-I97 HydrophobicContact CG2-CG2 3.89Å; L80-I97 HydrophobicContact CD1-CD1 4.14Å; L80-I97 HydrophobicContact CD1-CG1 4.11Å; L80-I97 HydrophobicContact CG-CG1 4.17Å; I97-Y99 HydrophobicContact CB-CE2 4.49Å; I97-Y99 HydrophobicContact CG2-CD2 4.23Å; I97-Y99 HydrophobicContact CG2-CE2 3.76Å
98E97.4Very high95.8Very high7 Ų761.5 Ų61.53%0.03329%0.292CS..EExtended strand (participates in β ladder)trans-93.1123.5173.7-173-175.3-17100108.8G47 D48 L51 R78 R79G47-E98 WeakPolarHBondContact CA-OE1 3.22Å; D48-E98 PolarHBondContact N-OE1 2.87Å; L51-E98 HydrophobicContact CB-CG 4.44Å; L51-E98 WeakPolarHBondContact O-CA 3.42Å; R78-E98 HydrophobicContact CB-CG 4.3Å; R78-E98 PolarHBondContact N-O 3.41Å; R79-E98 HydrophobicContact CB-CB 3.95Å; R79-E98 WeakPolarHBondContact CB-OE2 3.32Å; R79-E98 PolarHBondContact N-O 2.82Å; R79-E98 VanDerWaalsContact N-O 3.14Å; R79-E98 IonicContact NE-OE2 3.54Å; R79-E98 PolarHBondContact O-N 3.48Å
99Y98.1Very high96Very high0 Ų060.2 Ų60.20%028%0.279CS..EExtended strand (participates in β ladder)trans-93.4162.4173.4-74.9-87.4000111.4L51 L53 F71 G75 D76 I77 I97 V105 A108L51-Y99 PolarHBondContact O-N 2.94Å; L53-Y99 HydrophobicContact CD1-CE2 3.96Å; L53-Y99 HydrophobicContact CG-CE2 4.47Å; F71-Y99 WeakPolarHBondContact CB-OH 3.34Å; F71-Y99 PolarHBondContact O-OH 3.22Å; G75-Y99 WeakPolarHBondContact O-CE1 3.28Å; D76-Y99 WeakPolarHBondContact O-CA 3.48Å; D76-Y99 WeakPolarHBondContact O-CD1 3.29Å; I77-Y99 HydrophobicContact CG1-CD1 4.27Å; I77-Y99 HydrophobicContact CG1-CE1 3.85Å; I97-Y99 HydrophobicContact CB-CE2 4.49Å; I97-Y99 HydrophobicContact CG2-CD2 4.23Å; I97-Y99 HydrophobicContact CG2-CE2 3.76Å; Y99-V105 HydrophobicContact CD2-CG2 4.02Å; Y99-V105 HydrophobicContact CG-CG2 4.23Å; Y99-A108 HydrophobicContact CE2-CB 4.03Å
100K96.9Very high96.2Very high117 Ų11766.8 Ų66.851%0.50929%0.292SS..SBendtrans-75.5-32170.9-64.5-175.5-168.2161.30113D76 R78D76-K100 HydrophobicContact CB-CB 4.33Å; D76-K100 HydrophobicContact CB-CD 3.69Å; D76-K100 HydrophobicContact CB-CG 4.02Å; D76-K100 PolarHBondContact O-N 2.84Å; D76-K100 IonicContact OD2-NZ 2.81Å; D76-K100 PolarHBondContact OD2-NZ 3.47Å; R78-K100 HydrophobicContact CB-CG 4.04Å
101E97.1Very high96.4Very high118 Ų11862.6 Ų62.655%0.55128%0.276SS*.SBendtrans-122.8140.5-173.4-63.8-175.5-171.100112.3R103 S104 V105E101-R103 VanDerWaalsContact C-N 3.27Å; E101-R103 PolarHBondContact O-N 3.41Å; E101-S104 WeakPolarHBondContact O-CB 3.28Å; E101-S104 PolarHBondContact O-N 2.75Å; E101-V105 WeakPolarHBondContact O-CG2 3.36Å; E101-V105 PolarHBondContact O-N 2.65Å
102E95.9Very high96.4Very high138 Ų13861.7 Ų61.765%0.64527%0.27SS*.Hα-helixtrans-63.3-32.6177.3-171.1-177.9179.800112.9L51 S104 V105 S106L51-E102 HydrophobicContact CD2-CB 3.8Å; L51-E102 HydrophobicContact CD2-CG 4.4Å; E102-S104 VanDerWaalsContact C-N 3.29Å; E102-S104 PolarHBondContact O-N 3.38Å; E102-V105 WeakPolarHBondContact O-CB 3.35Å; E102-V105 PolarHBondContact O-N 3.02Å; E102-S106 PolarHBondContact O-N 3.11Å; E102-S106 PolarHBondContact O-OG 3.39Å
103R96.6Very high96.5Very high211 Ų21158.3 Ų58.380%0.79626%0.257SS*.Hα-helixtrans-59.7-41.3177.1-67.7-179.3179178.20.3111.3E101 S106 R107E101-R103 VanDerWaalsContact C-N 3.27Å; E101-R103 PolarHBondContact O-N 3.41Å; R103-S106 PolarHBondContact O-N 2.9Å; R103-R107 WeakPolarHBondContact O-CB 3.41Å; R103-R107 PolarHBondContact O-N 3.22Å
104S97.1Very high96.5Very high11 Ų1164.2 Ų64.28%0.07728%0.279CS..Hα-helixtrans-65.4-40.5177.4-55.70000111.8Y74 E101 E102 R107 A108Y74-S104 WeakPolarHBondContact O-CB 3.2Å; Y74-S104 PolarHBondContact O-OG 3.21Å; E101-S104 WeakPolarHBondContact O-CB 3.28Å; E101-S104 PolarHBondContact O-N 2.75Å; E102-S104 VanDerWaalsContact C-N 3.29Å; E102-S104 PolarHBondContact O-N 3.38Å; S104-R107 PolarHBondContact O-N 3.18Å; S104-A108 VanDerWaalsContact O-CB 3.23Å; S104-A108 WeakPolarHBondContact O-CB 3.41Å; S104-A108 PolarHBondContact O-N 3.47Å
105V96.5Very high96.5Very high0 Ų063.4 Ų63.40%028%0.279CS..Hα-helixtrans-61.8-49.8177.5-1740000110.2L51 L53 Y99 E101 E102 R107 A108 R109 F126L51-V105 HydrophobicContact CB-CG2 4.26Å; L51-V105 HydrophobicContact CD2-CG2 4.05Å; L51-V105 WeakPolarHBondContact O-CG2 3.45Å; L53-V105 HydrophobicContact CD1-CG1 4.42Å; L53-V105 HydrophobicContact CD2-CG1 3.48Å; L53-V105 VanDerWaalsContact CD2-CG1 3.48Å; L53-V105 HydrophobicContact CG-CG1 3.77Å; Y99-V105 HydrophobicContact CD2-CG2 4.02Å; Y99-V105 HydrophobicContact CG-CG2 4.23Å; E101-V105 WeakPolarHBondContact O-CG2 3.36Å; E101-V105 PolarHBondContact O-N 2.65Å; E102-V105 WeakPolarHBondContact O-CB 3.35Å; E102-V105 PolarHBondContact O-N 3.02Å; V105-R107 VanDerWaalsContact C-N 3.34Å; V105-R107 PolarHBondContact O-N 3.04Å; V105-A108 PolarHBondContact O-N 3.38Å; V105-R109 VanDerWaalsContact O-CB 3.31Å; V105-R109 WeakPolarHBondContact O-CB 3.17Å; V105-R109 PolarHBondContact O-N 2.93Å; V105-F126 HydrophobicContact CG1-CD1 3.93Å; V105-F126 HydrophobicContact CG1-CE1 3.61Å
106S96.2Very high96.4Very high56 Ų5667.7 Ų67.739%0.39231%0.305SS..Hα-helixtrans-62.2-42.2179.5-66.80000111.9E102 R103 R110E102-S106 PolarHBondContact O-N 3.11Å; E102-S106 PolarHBondContact O-OG 3.39Å; R103-S106 PolarHBondContact O-N 2.9Å; S106-R110 PolarHBondContact O-N 3.15Å
107R96.8Very high96.3Very high136 Ų13666.9 Ų66.951%0.51330%0.302SS..Hα-helixtrans-65.1-49.5176.7-172-179-179-177.50.3111.8Y74 R103 S104 V105 R109 R110 D111Y74-R107 HydrophobicContact CD1-CG 4.26Å; R103-R107 WeakPolarHBondContact O-CB 3.41Å; R103-R107 PolarHBondContact O-N 3.22Å; S104-R107 PolarHBondContact O-N 3.18Å; V105-R107 VanDerWaalsContact C-N 3.34Å; V105-R107 PolarHBondContact O-N 3.04Å; R107-R109 PolarHBondContact O-N 3.38Å; R107-R110 PolarHBondContact O-N 2.94Å; R107-D111 WeakPolarHBondContact CG-OD2 3.35Å; R107-D111 IonicContact NE-OD2 3.93Å; R107-D111 WeakPolarHBondContact O-CB 3.31Å; R107-D111 PolarHBondContact O-N 2.97Å
108A96.8Very high96.2Very high0 Ų069.7 Ų69.70%032%0.317CS..Hα-helixtrans-61.7-43.5178.400000111.5L53 Y74 Y99 S104 V105 R110 D111 A112L53-A108 HydrophobicContact CD1-CB 3.5Å; L53-A108 VanDerWaalsContact CD1-CB 3.5Å; Y74-A108 HydrophobicContact CD1-CB 4.43Å; Y74-A108 HydrophobicContact CD2-CB 3.92Å; Y74-A108 HydrophobicContact CG-CB 3.8Å; Y99-A108 HydrophobicContact CE2-CB 4.03Å; S104-A108 VanDerWaalsContact O-CB 3.23Å; S104-A108 WeakPolarHBondContact O-CB 3.41Å; S104-A108 PolarHBondContact O-N 3.47Å; V105-A108 PolarHBondContact O-N 3.38Å; A108-R110 VanDerWaalsContact C-N 3.27Å; A108-R110 PolarHBondContact O-N 2.88Å; A108-D111 PolarHBondContact O-N 3.41Å; A108-A112 WeakPolarHBondContact O-CA 3.35Å; A108-A112 WeakPolarHBondContact O-CB 3.29Å; A108-A112 PolarHBondContact O-N 3.07Å
109R96.2Very high96.1Very high55 Ų5578 Ų7821%0.20836%0.356CS..Hα-helixtrans-59-36.9176-173.9179.9-177.7-145.26.7112.9L53 V105 R107 D125 F126 R158L53-R109 HydrophobicContact CD2-CB 4.03Å; V105-R109 VanDerWaalsContact O-CB 3.31Å; V105-R109 WeakPolarHBondContact O-CB 3.17Å; V105-R109 PolarHBondContact O-N 2.93Å; R107-R109 PolarHBondContact O-N 3.38Å; R109-D125 IonicContact CZ-OD1 2.87Å; R109-D125 IonicContact NE-OD1 3.27Å; R109-D125 PolarHBondContact NE-OD1 2.88Å; R109-D125 IonicContact NH2-OD1 3.11Å; R109-D125 PolarHBondContact NH2-OD1 3.3Å; R109-F126 VanDerWaalsContact CZ-CE2 3.4Å; R109-R158 PolarHBondContact O-NH2 3.42Å
110R95.3Very high95.9Very high175 Ų17581.8 Ų81.866%0.6637%0.374SS*.Hα-helixtrans-78.6-47.1-179.4-171-177.166.8-172.3-2.3111.9S106 R107 A108S106-R110 PolarHBondContact O-N 3.15Å; R107-R110 PolarHBondContact O-N 2.94Å; A108-R110 VanDerWaalsContact C-N 3.27Å; A108-R110 PolarHBondContact O-N 2.88Å
111D96Very high95.9Very high67 Ų6781.8 Ų81.836%0.35838%0.375SS..Hα-helixtrans-98.4-15-164.9-57.8-10.1000113.2Y74 R107 A108Y74-D111 HydrophobicContact CD1-CB 4.45Å; Y74-D111 HydrophobicContact CE1-CB 3.68Å; Y74-D111 PolarHBondContact OH-O 3.17Å; R107-D111 WeakPolarHBondContact CG-OD2 3.35Å; R107-D111 IonicContact NE-OD2 3.93Å; R107-D111 WeakPolarHBondContact O-CB 3.31Å; R107-D111 PolarHBondContact O-N 2.97Å; A108-D111 PolarHBondContact O-N 3.41Å
112A95.8Very high95.9Very high0 Ų076.3 Ų76.30%035%0.35CS..SBendtrans-99-12.9178.800000113.7F71 Y74 A108 K114 L115 V124F71-A112 HydrophobicContact CD1-CB 4.48Å; F71-A112 HydrophobicContact CE1-CB 3.74Å; F71-A112 HydrophobicContact CZ-CB 4.3Å; Y74-A112 HydrophobicContact CD2-CB 4.48Å; Y74-A112 HydrophobicContact CE2-CB 3.59Å; Y74-A112 WeakPolarHBondContact OH-CA 3.27Å; Y74-A112 WeakPolarHBondContact OH-CB 3.32Å; A108-A112 WeakPolarHBondContact O-CA 3.35Å; A108-A112 WeakPolarHBondContact O-CB 3.29Å; A108-A112 PolarHBondContact O-N 3.07Å; A112-K114 PolarHBondContact O-N 2.92Å; A112-L115 WeakPolarHBondContact O-CB 3.42Å; A112-L115 PolarHBondContact O-N 3.24Å; A112-L115 VanDerWaalsContact O-N 3.11Å; A112-V124 HydrophobicContact CB-CG2 4.01Å
113D95.1Very high95.9Very high33 Ų3371.1 Ų71.118%0.17633%0.325CS..THydrogen-bonded Turntrans-63.1129.2176.4-174.138.9000110L115 V124 R158D113-L115 PolarHBondContact O-N 2.98Å; D113-V124 HydrophobicContact CB-CB 4.41Å; D113-V124 PolarHBondContact OD1-N 2.87Å; D113-R158 IonicContact OD2-CZ 2.79Å; D113-R158 IonicContact OD2-NE 3.24Å; D113-R158 PolarHBondContact OD2-NE 2.94Å; D113-R158 IonicContact OD2-NH2 3.48Å; D113-R158 PolarHBondContact OD2-NH2 3.03Å
114K95Very high95.9Very high135 Ų13561 Ų6159%0.58729%0.287SS*.THydrogen-bonded Turntrans65.116.5-173.5-48.1-178.4-178.7-175.50115.4A112 V116 V122A112-K114 PolarHBondContact O-N 2.92Å; K114-V116 PolarHBondContact O-N 2.7Å; K114-V122 VanDerWaalsContact CA-O 3.22Å; K114-V122 WeakPolarHBondContact CA-O 3.08Å; K114-V122 PolarHBondContact N-O 2.86Å
115L95.8Very high95.9Very high49 Ų4960.9 Ų60.926%0.25729%0.286SS..  trans-63.3136.5170-178.667.4000110V70 A112 D113 V117 V122V70-L115 HydrophobicContact CG1-CD2 3.51Å; A112-L115 WeakPolarHBondContact O-CB 3.42Å; A112-L115 PolarHBondContact O-N 3.24Å; A112-L115 VanDerWaalsContact O-N 3.11Å; D113-L115 PolarHBondContact O-N 2.98Å; L115-V117 HydrophobicContact CD2-CG2 4.24Å; L115-V117 HydrophobicContact CG-CG2 4.3Å; L115-V117 PolarHBondContact O-N 3.35Å; L115-V122 HydrophobicContact CB-CG2 4.09Å; L115-V122 WeakPolarHBondContact O-CG2 3.49Å; L115-V122 PolarHBondContact O-N 2.83Å
116V96.5Very high95.8Very high90 Ų9063.9 Ų63.955%0.54530%0.299SS..EExtended strand (participates in β ladder)trans-82.6117.8175.2-178.20000109.7K114 H120 E121K114-V116 PolarHBondContact O-N 2.7Å; V116-H120 CarbonylContact C-O 3Å; V116-H120 WeakPolarHBondContact CA-O 3.35Å; V116-E121 HydrophobicContact CG2-CG 3.97Å
117V94.8Very high95.7Very high6 Ų661.3 Ų61.34%0.03628%0.281CS..EExtended strand (participates in β ladder)trans-124.4124.2173.4-177.30000107.8T62 K66 V70 L115 Q119 H120 V122T62-V117 HydrophobicContact CG2-CG1 4.32Å; K66-V117 HydrophobicContact CG-CG1 4.34Å; V70-V117 HydrophobicContact CG1-CG2 4.18Å; L115-V117 HydrophobicContact CD2-CG2 4.24Å; L115-V117 HydrophobicContact CG-CG2 4.3Å; L115-V117 PolarHBondContact O-N 3.35Å; V117-Q119 VanDerWaalsContact C-N 3.25Å; V117-Q119 PolarHBondContact O-N 3.23Å; V117-H120 PolarHBondContact N-O 3.05Å; V117-H120 PolarHBondContact O-N 3.41Å; V117-V122 HydrophobicContact CB-CG1 3.84Å; V117-V122 HydrophobicContact CG2-CG1 3.79Å
118D94.1Very high95.6Very high59 Ų5956.6 Ų56.632%0.31626%0.264SS..THydrogen-bonded Turntrans48.948.1-179.1-51.5-31.2000112.5N59 T62 H120N59-D118 HydrophobicContact CB-CB 3.92Å; N59-D118 PolarHBondContact ND2-O 3.38Å; T62-D118 WeakPolarHBondContact CB-OD2 3.18Å; T62-D118 PolarHBondContact OG1-OD2 3.37Å; D118-H120 PolarHBondContact O-N 2.83Å; D118-H120 PolarHBondContact O-ND1 3.26Å
119Q95.1Very high95.3Very high182 Ų18258.1 Ų58.185%0.8527%0.271SS*.THydrogen-bonded Turntrans67.29.7-179.8-50.2168.814.800115.1V117V117-Q119 VanDerWaalsContact C-N 3.25Å; V117-Q119 PolarHBondContact O-N 3.23Å
120H95.4Very high95.1Very high80 Ų8058.7 Ų58.737%0.3727%0.273SS..EExtended strand (participates in β ladder)trans-117.5132.9178.8-72.265.1000111.4N59 V116 V117 D118 V122N59-H120 HydrophobicContact CB-CB 4.44Å; V116-H120 CarbonylContact C-O 3Å; V116-H120 WeakPolarHBondContact CA-O 3.35Å; V117-H120 PolarHBondContact N-O 3.05Å; V117-H120 PolarHBondContact O-N 3.41Å; D118-H120 PolarHBondContact O-N 2.83Å; D118-H120 PolarHBondContact O-ND1 3.26Å; H120-V122 PolarHBondContact O-N 3.07Å
121E96.2Very high95Very high117 Ų11752.8 Ų52.855%0.54726%0.257SS..EExtended strand (participates in β ladder)trans-72.1115.8169.2-70.4-176.2178.900110.3R57 V116R57-E121 WeakPolarHBondContact CB-O 3.23Å; V116-E121 HydrophobicContact CG2-CG 3.97Å
122V96.6Very high94.9Very high2 Ų250.3 Ų50.31%0.01224%0.244CC..  trans-80.7143.9179.2-50.40000110.5V55 A56 L58 K114 L115 V117 H120 V124V55-V122 HydrophobicContact CG1-CB 4.24Å; A56-V122 WeakPolarHBondContact O-CA 3.42Å; L58-V122 HydrophobicContact CD2-CB 4.25Å; L58-V122 HydrophobicContact CD2-CG1 3.62Å; K114-V122 VanDerWaalsContact CA-O 3.22Å; K114-V122 WeakPolarHBondContact CA-O 3.08Å; K114-V122 PolarHBondContact N-O 2.86Å; L115-V122 HydrophobicContact CB-CG2 4.09Å; L115-V122 WeakPolarHBondContact O-CG2 3.49Å; L115-V122 PolarHBondContact O-N 2.83Å; V117-V122 HydrophobicContact CB-CG1 3.84Å; V117-V122 HydrophobicContact CG2-CG1 3.79Å; H120-V122 PolarHBondContact O-N 3.07Å; V122-V124 HydrophobicContact CG2-CG2 3.92Å
123F96.4Very high94.7Very high29 Ų2959.6 Ų59.613%0.12728%0.279CS..EExtended strand (participates in β ladder)trans-99.2129.1171.1172.5-99.3000109F54 V55 A56 R57 D125 R158 D159F54-F123 HydrophobicContact CD1-CD1 4.26Å; F54-F123 HydrophobicContact CD1-CE1 4.15Å; F54-F123 HydrophobicContact CE1-CD1 4.13Å; F54-F123 HydrophobicContact CE1-CE1 4.19Å; V55-F123 CarbonylContact C-O 3.39Å; V55-F123 VanDerWaalsContact CA-O 3.32Å; V55-F123 WeakPolarHBondContact CA-O 3.33Å; A56-F123 HydrophobicContact CB-CB 4.44Å; A56-F123 HydrophobicContact CB-CD1 4.26Å; A56-F123 PolarHBondContact N-O 3.33Å; A56-F123 PolarHBondContact O-N 2.9Å; R57-F123 HydrophobicContact CG-CB 4.15Å; F123-D125 HydrophobicContact CE1-CB 3.65Å; F123-D125 HydrophobicContact CZ-CB 3.68Å; F123-R158 HydrophobicContact CE2-CB 4.41Å; F123-R158 HydrophobicContact CZ-CB 4.41Å; F123-D159 HydrophobicContact CE2-CB 3.88Å; F123-D159 HydrophobicContact CZ-CB 4.47Å
124V96.9Very high94.6Very high0 Ų060.5 Ų60.50%030%0.296CS..EExtended strand (participates in β ladder)trans-125.6124.8-178.5-173.90000110.3L53 F54 V55 F71 A112 D113 V122L53-V124 HydrophobicContact CB-CG1 4.5Å; L53-V124 HydrophobicContact CD1-CG1 3.88Å; F54-V124 WeakPolarHBondContact O-CA 3.16Å; V55-V124 HydrophobicContact CG1-CG2 4.3Å; V55-V124 HydrophobicContact CG2-CG1 4.44Å; V55-V124 HydrophobicContact CG2-CG2 4.35Å; F71-V124 HydrophobicContact CE1-CG2 4.16Å; F71-V124 HydrophobicContact CZ-CG2 4.05Å; A112-V124 HydrophobicContact CB-CG2 4.01Å; D113-V124 HydrophobicContact CB-CB 4.41Å; D113-V124 PolarHBondContact OD1-N 2.87Å; V122-V124 HydrophobicContact CG2-CG2 3.92Å
125D96.2Very high94.6Very high8 Ų856.2 Ų56.24%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-147.3170.3177.2-150.8-7.7000111.7F54 R109 F123 R158F54-D125 PolarHBondContact N-O 3.21Å; F54-D125 PolarHBondContact O-N 3.15Å; R109-D125 IonicContact CZ-OD1 2.87Å; R109-D125 IonicContact NE-OD1 3.27Å; R109-D125 PolarHBondContact NE-OD1 2.88Å; R109-D125 IonicContact NH2-OD1 3.11Å; R109-D125 PolarHBondContact NH2-OD1 3.3Å; F123-D125 HydrophobicContact CE1-CB 3.65Å; F123-D125 HydrophobicContact CZ-CB 3.68Å; D125-R158 WeakPolarHBondContact OD2-CB 3.3Å
126F95.6Very high94.6Very high62 Ų6254.3 Ų54.327%0.27227%0.266SS..EExtended strand (participates in β ladder)trans-64.7149.4170.2-66.4-49.6000110.7L53 V105 R109 Q128L53-F126 HydrophobicContact CD2-CD1 3.75Å; L53-F126 HydrophobicContact CD2-CE1 4.25Å; V105-F126 HydrophobicContact CG1-CD1 3.93Å; V105-F126 HydrophobicContact CG1-CE1 3.61Å; R109-F126 VanDerWaalsContact CZ-CE2 3.4Å; F126-Q128 PolarHBondContact O-N 3.46Å; F126-Q128 VanDerWaalsContact O-N 3.16Å; F126-Q128 PolarHBondContact O-NE2 3.5Å
127E94.3Very high94.5Very high3 Ų350.5 Ų50.51%0.01424%0.243CC..  trans-60.5116.9172.1-177.4-172.1171.100110.9T52 F96 R130 T131T52-E127 WeakPolarHBondContact CB-OE2 3.31Å; T52-E127 HydrophobicContact CG2-CB 4.23Å; T52-E127 WeakPolarHBondContact CG2-OE2 3.36Å; T52-E127 WeakPolarHBondContact O-CB 3.12Å; T52-E127 PolarHBondContact O-N 3.4Å; T52-E127 VanDerWaalsContact O-N 3.11Å; F96-E127 HydrophobicContact CD1-CG 4.33Å; F96-E127 HydrophobicContact CE1-CG 4.06Å; E127-R130 WeakPolarHBondContact OE1-CG 3.35Å; E127-R130 IonicContact OE1-CZ 3.58Å; E127-R130 IonicContact OE1-NE 2.73Å; E127-R130 PolarHBondContact OE1-NE 2.87Å; E127-R130 IonicContact OE1-NH2 3.61Å; E127-R130 IonicContact OE2-CZ 3.38Å; E127-R130 IonicContact OE2-NE 3.27Å; E127-R130 PolarHBondContact OE2-NE 2.82Å; E127-R130 IonicContact OE2-NH2 2.68Å; E127-R130 PolarHBondContact OE2-NH2 3.43Å; E127-T131 WeakPolarHBondContact O-CB 3.22Å; E127-T131 VanDerWaalsContact O-CG2 3.22Å; E127-T131 WeakPolarHBondContact O-CG2 3.35Å; E127-T131 PolarHBondContact O-OG1 3.37Å
128Q93.1Very high94.4Very high36 Ų3654.1 Ų54.117%0.16826%0.256CS..  trans-88.9-22.7-179.4-58.6-57.3-49.800113.6F126 R130 L132 W135 L144F126-Q128 PolarHBondContact O-N 3.46Å; F126-Q128 VanDerWaalsContact O-N 3.16Å; F126-Q128 PolarHBondContact O-NE2 3.5Å; Q128-R130 PolarHBondContact O-N 2.92Å; Q128-L132 HydrophobicContact CB-CB 4.23Å; Q128-L132 VanDerWaalsContact O-CB 3.29Å; Q128-L132 WeakPolarHBondContact O-CB 3.46Å; Q128-L132 PolarHBondContact O-N 3.15Å; Q128-W135 HydrophobicContact CB-CD2 4.08Å; Q128-W135 HydrophobicContact CB-CE3 3.85Å; Q128-W135 HydrophobicContact CB-CH2 4.02Å; Q128-W135 HydrophobicContact CB-CZ2 4.29Å; Q128-W135 HydrophobicContact CB-CZ3 3.79Å; Q128-W135 HydrophobicContact CG-CH2 4.45Å; Q128-W135 HydrophobicContact CG-CZ3 4.27Å; Q128-L144 HydrophobicContact CG-CD1 4.43Å
129E92.2Very high94.3Very high32 Ų3259.1 Ų59.115%0.1527%0.271CS..THydrogen-bonded Turntrans-63.4-40.8-169.8-168.4-176.2168.500113.3Y39 P41 N42Y39-E129 HydrophobicContact CE1-CG 3.9Å; Y39-E129 VanDerWaalsContact OH-CD 3.31Å; Y39-E129 PolarHBondContact OH-OE1 3.38Å; P41-E129 WeakPolarHBondContact CA-OE1 3.45Å; P41-E129 HydrophobicContact CB-CG 4.04Å; P41-E129 HydrophobicContact CG-CG 4.32Å; P41-E129 WeakPolarHBondContact CG-O 3.44Å; N42-E129 PolarHBondContact N-OE1 2.83Å
130R91.9Very high94.3Very high67 Ų6753.2 Ų53.225%0.25325%0.245SC..THydrogen-bonded Turntrans-100.8-18.2-178.2-65.9-174.8-68.1158.37.8113.4P41 V45 G47 P49 E127 Q128P41-R130 HydrophobicContact CB-CG 4.47Å; V45-R130 PolarHBondContact O-NH1 3.37Å; G47-R130 PolarHBondContact O-NH1 3.48Å; P49-R130 HydrophobicContact CB-CB 3.69Å; P49-R130 HydrophobicContact CG-CB 4.28Å; E127-R130 WeakPolarHBondContact OE1-CG 3.35Å; E127-R130 IonicContact OE1-CZ 3.58Å; E127-R130 IonicContact OE1-NE 2.73Å; E127-R130 PolarHBondContact OE1-NE 2.87Å; E127-R130 IonicContact OE1-NH2 3.61Å; E127-R130 IonicContact OE2-CZ 3.38Å; E127-R130 IonicContact OE2-NE 3.27Å; E127-R130 PolarHBondContact OE2-NE 2.82Å; E127-R130 IonicContact OE2-NH2 2.68Å; E127-R130 PolarHBondContact OE2-NH2 3.43Å; Q128-R130 PolarHBondContact O-N 2.92Å
131T92.6Very high94.2Very high51 Ų5149.4 Ų49.431%0.31323%0.227SC..THydrogen-bonded Turntrans-96.9-40.2-176.764.90000112.6P49 L50 E127 R133P49-T131 HydrophobicContact CB-CG2 3.85Å; L50-T131 HydrophobicContact CD2-CG2 4.09Å; E127-T131 WeakPolarHBondContact O-CB 3.22Å; E127-T131 VanDerWaalsContact O-CG2 3.22Å; E127-T131 WeakPolarHBondContact O-CG2 3.35Å; E127-T131 PolarHBondContact O-OG1 3.37Å; T131-R133 PolarHBondContact O-N 3.3Å
132L92.9Very high94.1Very high15 Ų1543.8 Ų43.88%0.07920%0.201CC..SBendtrans-89.2110.4-173.4-167.864.9000110.1K9 Y11 Q128 G134 W135K9-L132 VanDerWaalsContact O-CD1 3.28Å; K9-L132 WeakPolarHBondContact O-CD1 3.28Å; Y11-L132 HydrophobicContact CD2-CD2 3.84Å; Y11-L132 HydrophobicContact CG-CD2 4.25Å; Q128-L132 HydrophobicContact CB-CB 4.23Å; Q128-L132 VanDerWaalsContact O-CB 3.29Å; Q128-L132 WeakPolarHBondContact O-CB 3.46Å; Q128-L132 PolarHBondContact O-N 3.15Å; L132-G134 PolarHBondContact O-N 3.19Å; L132-W135 HydrophobicContact CD2-CE3 4Å; L132-W135 HydrophobicContact CD2-CZ3 4.37Å; L132-W135 VanDerWaalsContact O-CB 3.28Å; L132-W135 WeakPolarHBondContact O-CB 3.47Å; L132-W135 PolarHBondContact O-N 3.25Å; L132-W135 VanDerWaalsContact O-N 3.16Å
133R92.3Very high94Very high195 Ų19543.9 Ų43.974%0.73620%0.202SC*.THydrogen-bonded Turntrans-60.2136.8-179.3-64.6179.4-178.1-99.8-1110.3Y11 T131 W135Y11-R133 WeakPolarHBondContact CB-O 3.21Å; Y11-R133 PolarHBondContact N-O 3.35Å; T131-R133 PolarHBondContact O-N 3.3Å; R133-W135 VanDerWaalsContact C-N 3.28Å; R133-W135 PolarHBondContact O-N 3.27Å
134G92.6Very high93.9Very high52 Ų5244.6 Ų44.654%0.53621%0.207SC..THydrogen-bonded Turntrans777.4-178.800000114.8Y11 L132 V136Y11-G134 VanDerWaalsContact CD1-O 3.24Å; Y11-G134 WeakPolarHBondContact CD1-O 3.4Å; L132-G134 PolarHBondContact O-N 3.19Å; G134-V136 PolarHBondContact O-N 2.71Å
135W94.9Very high93.7Very high46 Ų4644.7 Ų44.717%0.17421%0.208CC..  trans-51.6128.7-179175.8-105.9000112.8Y11 Y39 Q128 L132 R133 L144Y11-W135 AromaticContact CD2-CE3 3.68Å; Y11-W135 HydrophobicContact CD2-CE3 3.68Å; Y11-W135 AromaticContact CD2-CZ3 3.97Å; Y11-W135 HydrophobicContact CD2-CZ3 3.97Å; Y11-W135 AromaticContact CE2-CE3 3.95Å; Y11-W135 HydrophobicContact CE2-CE3 3.95Å; Y11-W135 AromaticContact CE2-CZ3 3.91Å; Y11-W135 HydrophobicContact CE2-CZ3 3.91Å; Y11-W135 HydrophobicContact CG-CE3 4.13Å; Y39-W135 WeakPolarHBondContact CD1-O 3.49Å; Q128-W135 HydrophobicContact CB-CD2 4.08Å; Q128-W135 HydrophobicContact CB-CE3 3.85Å; Q128-W135 HydrophobicContact CB-CH2 4.02Å; Q128-W135 HydrophobicContact CB-CZ2 4.29Å; Q128-W135 HydrophobicContact CB-CZ3 3.79Å; Q128-W135 HydrophobicContact CG-CH2 4.45Å; Q128-W135 HydrophobicContact CG-CZ3 4.27Å; L132-W135 HydrophobicContact CD2-CE3 4Å; L132-W135 HydrophobicContact CD2-CZ3 4.37Å; L132-W135 VanDerWaalsContact O-CB 3.28Å; L132-W135 WeakPolarHBondContact O-CB 3.47Å; L132-W135 PolarHBondContact O-N 3.25Å; L132-W135 VanDerWaalsContact O-N 3.16Å; R133-W135 VanDerWaalsContact C-N 3.28Å; R133-W135 PolarHBondContact O-N 3.27Å; W135-L144 HydrophobicContact CH2-CD1 4.26Å; W135-L144 HydrophobicContact CH2-CG 4.15Å; W135-L144 HydrophobicContact CZ3-CD1 3.69Å; W135-L144 HydrophobicContact CZ3-CG 3.71Å
136V95.5Very high93.4Very high9 Ų945.4 Ų45.46%0.05522%0.217CC..  trans-119.6126.7171.8-178.40000108.5Y11 P13 A34 A37 G134 L140 G142 G143Y11-V136 HydrophobicContact CD1-CB 4.43Å; Y11-V136 HydrophobicContact CD1-CG2 4.4Å; Y11-V136 HydrophobicContact CE1-CB 3.89Å; Y11-V136 HydrophobicContact CE1-CG2 4.22Å; P13-V136 HydrophobicContact CG-CG2 4.08Å; A34-V136 HydrophobicContact CB-CG1 4.02Å; A37-V136 HydrophobicContact CB-CG1 4.1Å; G134-V136 PolarHBondContact O-N 2.71Å; V136-L140 HydrophobicContact CG1-CB 3.68Å; V136-G142 CarbonylContact O-C 3.59Å; V136-G142 WeakPolarHBondContact O-CA 3.42Å; V136-G143 PolarHBondContact O-N 2.99Å
137P94.5Very high93Very high9 Ų949.4 Ų49.46%0.05823%0.234CC..  trans-72160.3-179.829.9-36.8000112.3Y39 R139 L140 G142Y39-P137 HydrophobicContact CD1-CG 4.33Å; Y39-P137 HydrophobicContact CD2-CG 3.78Å; Y39-P137 HydrophobicContact CE1-CG 4.27Å; Y39-P137 HydrophobicContact CE2-CG 3.74Å; Y39-P137 VanDerWaalsContact CG-CD 3.45Å; Y39-P137 HydrophobicContact CG-CG 4.07Å; P137-R139 VanDerWaalsContact C-N 3.28Å; P137-R139 HydrophobicContact CB-CG 4.44Å; P137-R139 HydrophobicContact CG-CG 4.23Å; P137-R139 PolarHBondContact O-N 3.11Å; P137-R139 VanDerWaalsContact O-N 3.17Å; P137-L140 HydrophobicContact CG-CD1 4.02Å; P137-L140 HydrophobicContact CG-CG 4.18Å; P137-L140 PolarHBondContact O-N 2.65Å; P137-G142 PolarHBondContact O-N 2.74Å
138R93.1Very high92.5Very high82 Ų8257.3 Ų57.331%0.30927%0.269SS..G310 helixtrans-53.9-38.9-177.1-169.663.8170.6-157.5-8.1114.5L140 G141 G142 G145 Q152R138-L140 PolarHBondContact O-N 3.32Å; R138-G141 PolarHBondContact O-N 3.27Å; R138-G142 VanDerWaalsContact CD-O 3.27Å; R138-G142 WeakPolarHBondContact CD-O 3.37Å; R138-G145 PolarHBondContact NH1-O 2.79Å; R138-Q152 PolarHBondContact NH1-O 3.04Å; R138-Q152 PolarHBondContact NH2-O 2.64Å
139R92.1Very high92.2Very high164 Ų16464 Ų6462%0.61930%0.3SS*.G310 helixtrans-61.5-22179.668.5-175175.9-911.5114Y39 P137Y39-R139 PolarHBondContact OH-NH2 2.9Å; P137-R139 VanDerWaalsContact C-N 3.28Å; P137-R139 HydrophobicContact CB-CG 4.44Å; P137-R139 HydrophobicContact CG-CG 4.23Å; P137-R139 PolarHBondContact O-N 3.11Å; P137-R139 VanDerWaalsContact O-N 3.17Å
140L94.4Very high91.7Very high58 Ų5865.7 Ų65.730%0.30432%0.315SS..G310 helixtrans-100.710.5176.3-58.6179.8000112.1R33 A34 A37 Y39 V136 P137 R138R33-L140 CarbonylContact C-O 3.54Å; A34-L140 WeakPolarHBondContact CA-O 3.39Å; A34-L140 PolarHBondContact N-O 3Å; A34-L140 VanDerWaalsContact N-O 3.11Å; A37-L140 HydrophobicContact CB-CB 3.95Å; A37-L140 HydrophobicContact CB-CD1 4.06Å; Y39-L140 HydrophobicContact CD2-CD1 3.87Å; Y39-L140 HydrophobicContact CG-CD1 4.37Å; V136-L140 HydrophobicContact CG1-CB 3.68Å; P137-L140 HydrophobicContact CG-CD1 4.02Å; P137-L140 HydrophobicContact CG-CG 4.18Å; P137-L140 PolarHBondContact O-N 2.65Å; R138-L140 PolarHBondContact O-N 3.32Å
141G93.1Very high91.3Very high0 Ų065.5 Ų65.50%033%0.334CS..THydrogen-bonded Turntrans94.7-5.9178.500000115.2A30 R138 Q152 R154A30-G141 CarbonylContact O-C 3.43Å; A30-G141 VanDerWaalsContact O-CA 3.29Å; A30-G141 WeakPolarHBondContact O-CA 3.47Å; R138-G141 PolarHBondContact O-N 3.27Å; G141-Q152 PolarHBondContact O-NE2 2.89Å; G141-R154 PolarHBondContact O-NE 3.29Å; G141-R154 PolarHBondContact O-NH2 2.86Å
142G95.3Very high91Very high0 Ų064.8 Ų64.80%033%0.327CS..  trans-86.1-133.9176.600000113.2Y11 V136 P137 R138Y11-G142 WeakPolarHBondContact OH-CA 3.48Å; V136-G142 CarbonylContact O-C 3.59Å; V136-G142 WeakPolarHBondContact O-CA 3.42Å; P137-G142 PolarHBondContact O-N 2.74Å; R138-G142 VanDerWaalsContact CD-O 3.27Å; R138-G142 WeakPolarHBondContact CD-O 3.37Å
143G94.4Very high91Very high4 Ų466 Ų664%0.04133%0.334CS..  trans79.2-176-174.300000113.3Y11 V136 R154Y11-G143 WeakPolarHBondContact CE2-O 3.49Å; Y11-G143 PolarHBondContact OH-N 3.4Å; Y11-G143 PolarHBondContact OH-O 3.31Å; V136-G143 PolarHBondContact O-N 2.99Å; G143-R154 WeakPolarHBondContact O-CB 3.18Å; G143-R154 WeakPolarHBondContact O-CG 3.47Å
144L94.3Very high91.1Very high44 Ų4456.8 Ų56.823%0.2330%0.299CS..SBendtrans-126.6156.1174.8-67.6168.7000109.6Y11 Q128 W135 F155Y11-L144 HydrophobicContact CD2-CD2 4.31Å; Y11-L144 HydrophobicContact CE2-CD2 3.84Å; Y11-L144 HydrophobicContact CE2-CG 4.12Å; Q128-L144 HydrophobicContact CG-CD1 4.43Å; W135-L144 HydrophobicContact CH2-CD1 4.26Å; W135-L144 HydrophobicContact CH2-CG 4.15Å; W135-L144 HydrophobicContact CZ3-CD1 3.69Å; W135-L144 HydrophobicContact CZ3-CG 3.71Å; L144-F155 WeakPolarHBondContact CD2-O 3.18Å
145G93.2Very high91.2Very high2 Ų255.1 Ų55.12%0.02128%0.277CS..BIsolated β-bridgetrans73.9-151-179.700000113.4R138 R154R138-G145 PolarHBondContact NH1-O 2.79Å; G145-R154 VanDerWaalsContact CA-O 3.31Å; G145-R154 WeakPolarHBondContact CA-O 3.29Å; G145-R154 PolarHBondContact N-O 2.74Å; G145-R154 PolarHBondContact O-N 3.02Å
146G88.9Confident91.1Very high22 Ų2253 Ų5323%0.22727%0.269CS..  trans120.5158.9-178.700000112.7L153 R160G146-L153 VanDerWaalsContact O-CD2 3.29Å; G146-L153 WeakPolarHBondContact O-CD2 3.34Å; G146-R160 PolarHBondContact O-NE 3.39Å; G146-R160 PolarHBondContact O-NH2 3.02Å
147K86.9Confident91Very high146 Ų14652.8 Ų52.864%0.63527%0.269SS*.  trans-89.5143.2175.3-63-174.2179.6-174.30109.7E149 S150K147-E149 PolarHBondContact O-N 3.38Å; K147-S150 WeakPolarHBondContact O-CB 3.18Å; K147-S150 PolarHBondContact O-N 3.09Å; K147-S150 PolarHBondContact O-OG 3.25Å
148K83.8Confident90.9Very high170 Ų17056.4 Ų56.474%0.73928%0.281SS*.G310 helixtrans-57.6-39.3178.5-172.9-179.5178-174.70111.2S150 G151K148-S150 PolarHBondContact O-N 2.82Å; K148-G151 PolarHBondContact O-N 3.2Å
149E86.6Confident90.8Very high177 Ų17755.5 Ų55.583%0.82728%0.283SS*.G310 helixtrans-59.2-29.6176.6-62.3143.9-131.200113.6K147 G151K147-E149 PolarHBondContact O-N 3.38Å; E149-G151 PolarHBondContact O-N 3.31Å
150S82.3Confident90.9Very high66 Ų6651.1 Ų51.146%0.46227%0.266SS..G310 helixtrans-76-7.9-178.370.90000113.8K147 K148 Q152K147-S150 WeakPolarHBondContact O-CB 3.18Å; K147-S150 PolarHBondContact O-N 3.09Å; K147-S150 PolarHBondContact O-OG 3.25Å; K148-S150 PolarHBondContact O-N 2.82Å; S150-Q152 PolarHBondContact O-N 3.25Å
151G83.5Confident90.9Very high64 Ų6451 Ų5166%0.6627%0.269SS*.THydrogen-bonded Turntrans672.1-17900000115.4K148 E149K148-G151 PolarHBondContact O-N 3.2Å; E149-G151 PolarHBondContact O-N 3.31Å
152Q86.3Confident91Very high35 Ų3552.1 Ų52.116%0.16427%0.274CS..  trans-125.381.4-178-170.9-175.7-8.100109.4A30 R138 G141 S150A30-Q152 HydrophobicContact CB-CG 4.14Å; R138-Q152 PolarHBondContact NH1-O 3.04Å; R138-Q152 PolarHBondContact NH2-O 2.64Å; G141-Q152 PolarHBondContact O-NE2 2.89Å; S150-Q152 PolarHBondContact O-N 3.25Å
153L92.5Very high90.8Very high41 Ų4160.2 Ų60.222%0.21530%0.304CS..  trans-88.1139174.5-66.6-177000110.3G146 F155G146-L153 VanDerWaalsContact O-CD2 3.29Å; G146-L153 WeakPolarHBondContact O-CD2 3.34Å; L153-F155 HydrophobicContact CB-CE2 4.02Å; L153-F155 HydrophobicContact CB-CZ 4.16Å; L153-F155 HydrophobicContact CD1-CZ 4.29Å
154R94.9Very high90.5Very high1 Ų167.3 Ų67.30%0.00433%0.334CS..BIsolated β-bridgetrans-131.3132.3173.2-59.7-66.7176.1-106.39.9110.2A16 D28 V31 G141 G143 G145 R160A16-R154 CarbonylContact O-C 3.35Å; A16-R154 WeakPolarHBondContact O-CA 3.21Å; D28-R154 IonicContact OD1-NH2 2.86Å; D28-R154 PolarHBondContact OD1-NH2 3.28Å; D28-R154 VanDerWaalsContact OD1-NH2 3.11Å; D28-R154 IonicContact OD2-CZ 2.78Å; D28-R154 IonicContact OD2-NH1 3.98Å; D28-R154 PolarHBondContact OD2-NH1 2.9Å; D28-R154 IonicContact OD2-NH2 3.07Å; D28-R154 PolarHBondContact OD2-NH2 3.24Å; V31-R154 VanDerWaalsContact N-NH2 3.17Å; G141-R154 PolarHBondContact O-NE 3.29Å; G141-R154 PolarHBondContact O-NH2 2.86Å; G143-R154 WeakPolarHBondContact O-CB 3.18Å; G143-R154 WeakPolarHBondContact O-CG 3.47Å; G145-R154 VanDerWaalsContact CA-O 3.31Å; G145-R154 WeakPolarHBondContact CA-O 3.29Å; G145-R154 PolarHBondContact N-O 2.74Å; G145-R154 PolarHBondContact O-N 3.02Å; R154-R160 WeakPolarHBondContact O-CB 3.48Å
155F94.8Very high90.1Very high18 Ų1867.2 Ų67.28%0.07934%0.336CS..  trans-110.6172.2-174.5-58.1-88.7000111.5A16 S18 I19 L144 L153 R160 F162A16-F155 PolarHBondContact O-N 2.78Å; S18-F155 VanDerWaalsContact C-CD2 3.47Å; S18-F155 WeakPolarHBondContact O-CB 3.21Å; S18-F155 WeakPolarHBondContact O-CD2 3.33Å; S18-F155 WeakPolarHBondContact O-CG 3.49Å; I19-F155 HydrophobicContact CB-CD2 4.42Å; I19-F155 HydrophobicContact CB-CE1 4.15Å; I19-F155 HydrophobicContact CB-CE2 4Å; I19-F155 HydrophobicContact CB-CZ 3.85Å; I19-F155 HydrophobicContact CD1-CE1 4.17Å; I19-F155 HydrophobicContact CD1-CZ 4.16Å; I19-F155 HydrophobicContact CG1-CD1 4.16Å; I19-F155 HydrophobicContact CG1-CE1 3.65Å; I19-F155 HydrophobicContact CG1-CE2 4.41Å; I19-F155 HydrophobicContact CG1-CZ 3.79Å; L144-F155 WeakPolarHBondContact CD2-O 3.18Å; L153-F155 HydrophobicContact CB-CE2 4.02Å; L153-F155 HydrophobicContact CB-CZ 4.16Å; L153-F155 HydrophobicContact CD1-CZ 4.29Å; F155-R160 CarbonylContact C-O 3.43Å; F155-R160 WeakPolarHBondContact CA-O 3.37Å; F155-R160 HydrophobicContact CD1-CB 4.04Å; F155-F162 HydrophobicContact CB-CD1 3.55Å; F155-F162 HydrophobicContact CB-CE1 3.59Å
156G93.3Very high89.5Confident1 Ų173.8 Ų73.81%0.0137%0.369CS..SBendtrans86.911.3-176.600000114.1A8 R160A8-G156 WeakPolarHBondContact CB-O 3.24Å; A8-G156 PolarHBondContact N-O 2.62Å; G156-R160 PolarHBondContact N-O 3.4Å
157G92.9Very high88.4Confident4 Ų480.1 Ų80.14%0.04140%0.398CS..SBendtrans-113.3175.1174.800000112.4D159 R160 P161G157-D159 PolarHBondContact O-N 3.33Å; G157-R160 PolarHBondContact N-O 2.99Å; G157-R160 VanDerWaalsContact N-O 3.15Å; G157-R160 CarbonylContact O-C 3.52Å; G157-R160 PolarHBondContact O-N 3.25Å; G157-P161 WeakPolarHBondContact O-CA 3.29Å
158R92.9Very high87.1Confident85 Ų8579.3 Ų79.332%0.32140%0.4SS..SBendtrans-59.9-45.6-179.7-176.8-178.8175.3111.8-4.5113.5R109 D113 F123 D125 R160R109-R158 PolarHBondContact O-NH2 3.42Å; D113-R158 IonicContact OD2-CZ 2.79Å; D113-R158 IonicContact OD2-NE 3.24Å; D113-R158 PolarHBondContact OD2-NE 2.94Å; D113-R158 IonicContact OD2-NH2 3.48Å; D113-R158 PolarHBondContact OD2-NH2 3.03Å; F123-R158 HydrophobicContact CE2-CB 4.41Å; F123-R158 HydrophobicContact CZ-CB 4.41Å; D125-R158 WeakPolarHBondContact OD2-CB 3.3Å; R158-R160 VanDerWaalsContact C-N 3.32Å; R158-R160 PolarHBondContact O-N 3.37Å
159D91.1Very high85.5Confident63 Ų6373.4 Ų73.434%0.33739%0.387SS..SBendtrans-69-31.2-179.8-171.369.1000112.4R57 F123 G157R57-D159 IonicContact CZ-OD1 3.07Å; R57-D159 IonicContact NH1-OD1 3.74Å; R57-D159 IonicContact NH2-OD1 2.65Å; R57-D159 PolarHBondContact NH2-OD1 3.23Å; R57-D159 IonicContact NH2-OD2 2.75Å; R57-D159 PolarHBondContact NH2-OD2 3.33Å; F123-D159 HydrophobicContact CE2-CB 3.88Å; F123-D159 HydrophobicContact CZ-CB 4.47Å; G157-D159 PolarHBondContact O-N 3.33Å
160R93.4Very high83.7Confident72 Ų7272 Ų7227%0.27239%0.394SS..SBendtrans-14083.8179.7-70.9-166.1175.5-89-5.6110.2G146 R154 F155 G156 G157 R158G146-R160 PolarHBondContact O-NE 3.39Å; G146-R160 PolarHBondContact O-NH2 3.02Å; R154-R160 WeakPolarHBondContact O-CB 3.48Å; F155-R160 CarbonylContact C-O 3.43Å; F155-R160 WeakPolarHBondContact CA-O 3.37Å; F155-R160 HydrophobicContact CD1-CB 4.04Å; G156-R160 PolarHBondContact N-O 3.4Å; G157-R160 PolarHBondContact N-O 2.99Å; G157-R160 VanDerWaalsContact N-O 3.15Å; G157-R160 CarbonylContact O-C 3.52Å; G157-R160 PolarHBondContact O-N 3.25Å; R158-R160 VanDerWaalsContact C-N 3.32Å; R158-R160 PolarHBondContact O-N 3.37Å
161P94.9Very high82Confident56 Ų5672.2 Ų72.236%0.36441%0.406SS..PPolyproline II helixtrans-67.6158.2173.925.9-32.4000110.7P6 I7 G157P6-P161 HydrophobicContact CB-CB 3.7Å; P6-P161 CarbonylContact O-C 3.5Å; P6-P161 VanDerWaalsContact O-CA 3.24Å; P6-P161 WeakPolarHBondContact O-CA 3.38Å; P6-P161 WeakPolarHBondContact O-CB 3.14Å; I7-P161 HydrophobicContact CD1-CB 4.32Å; G157-P161 WeakPolarHBondContact O-CA 3.29Å
162F94.1Very high80.3Confident24 Ų2472.2 Ų72.211%0.10540%0.4CS..PPolyproline II helixtrans-59.1146.2165.5-65.8-55000110W4 P6 A8 K15 I19 F155W4-F162 VanDerWaalsContact CZ2-O 3.29Å; W4-F162 WeakPolarHBondContact CZ2-O 3.36Å; P6-F162 PolarHBondContact O-N 2.66Å; A8-F162 HydrophobicContact CB-CE2 3.97Å; A8-F162 HydrophobicContact CB-CZ 4.48Å; K15-F162 WeakPolarHBondContact O-CE1 3.39Å; I19-F162 CarbonylContact O-C 3.52Å; I19-F162 WeakPolarHBondContact O-CA 3.38Å; F155-F162 HydrophobicContact CB-CD1 3.55Å; F155-F162 HydrophobicContact CB-CE1 3.59Å
163R92.4Very high78.3Confident170 Ų17076.6 Ų76.664%0.64243%0.429SS*.PPolyproline II helixtrans-86.2150.8166.6-66.7-167.9178.6-168.1-2.6109.5W4 I19 D20 P165W4-R163 VanDerWaalsContact CZ2-C 3.41Å; W4-R163 PolarHBondContact NE1-O 3.12Å; I19-R163 HydrophobicContact CD1-CG 4.22Å; I19-R163 HydrophobicContact CG1-CB 4.26Å; I19-R163 HydrophobicContact CG1-CG 3.83Å; I19-R163 PolarHBondContact O-N 2.79Å; D20-R163 WeakPolarHBondContact CA-O 3.43Å; D20-R163 WeakPolarHBondContact CB-O 3.38Å; R163-P165 WeakPolarHBondContact O-CD 3.43Å
164K88.3Confident76.2Confident153 Ų15381.3 Ų81.367%0.66545%0.45SS*.PPolyproline II helixtrans-64.9127.5175-166.5174.4-178.6-179.60108.2W4 I166W4-K164 HydrophobicContact CD2-CB 4.33Å; W4-K164 HydrophobicContact CD2-CG 4.16Å; W4-K164 HydrophobicContact CG-CG 4.43Å; W4-K164 HydrophobicContact CH2-CB 4.25Å; W4-K164 HydrophobicContact CZ2-CB 3.97Å; W4-K164 VanDerWaalsContact CZ2-N 3.25Å; K164-I166 PolarHBondContact O-N 3.31Å
165P84.1Confident73.6Confident42 Ų4289.9 Ų89.927%0.27349%0.49SS..PPolyproline II helixtrans-53.9135.2175.3-26.332.7000110.2W4 D20 T22 R163 N167W4-P165 VanDerWaalsContact CD1-CD 3.41Å; W4-P165 VanDerWaalsContact NE1-CD 3.34Å; D20-P165 HydrophobicContact CB-CG 4.22Å; T22-P165 HydrophobicContact CG2-CB 4.18Å; T22-P165 HydrophobicContact CG2-CG 3.86Å; R163-P165 WeakPolarHBondContact O-CD 3.43Å; P165-N167 PolarHBondContact O-N 3.39Å
166I80.9Confident71.2Confident139 Ų13999 Ų9971%0.71352%0.524SS*.  trans-79.7109.8175-55.4176.1000106.3K164 L168K164-I166 PolarHBondContact O-N 3.31Å; I166-L168 HydrophobicContact CG2-CD2 3.94Å; I166-L168 HydrophobicContact CG2-CG 3.92Å; I166-L168 PolarHBondContact O-N 2.86Å
167N66.7Low68.5Low156 Ų156102 Ų10283%0.83456%0.555SS**  trans-7281.3169-74.7-14.2000108.5P165 G169P165-N167 PolarHBondContact O-N 3.39Å; N167-G169 PolarHBondContact O-N 2.79Å; N167-G169 VanDerWaalsContact O-N 3.11Å
168L59.9Low66.2Low128 Ų128110.1 Ų110.167%0.6760%0.597SS**  trans-68.6104.1160.4-64.5172.6000105.1I166 A172I166-L168 HydrophobicContact CG2-CD2 3.94Å; I166-L168 HydrophobicContact CG2-CG 3.92Å; I166-L168 PolarHBondContact O-N 2.86Å; L168-A172 HydrophobicContact CB-CB 4.26Å; L168-A172 HydrophobicContact CD2-CB 4.22Å
169G49.3Very low63.5Low46 Ų46109.8 Ų109.847%0.47462%0.62SS.*  trans-52.9160.1176.600000111.2N167 G171 A172N167-G169 PolarHBondContact O-N 2.79Å; N167-G169 VanDerWaalsContact O-N 3.11Å; G169-G171 VanDerWaalsContact C-N 3.33Å; G169-G171 PolarHBondContact O-N 3.11Å; G169-A172 PolarHBondContact O-N 3.44Å
170P49Very low61.1Low149 Ų149114.1 Ų114.197%0.96864%0.643SS**THydrogen-bonded Turntrans-62.396.4175.526.5-31.4000108.4
171G47.1Very low58.7Low69 Ų69121.5 Ų121.571%0.71167%0.671SS**THydrogen-bonded Turntrans154.4-12.9-175.400000116.4G169 T173G169-G171 VanDerWaalsContact C-N 3.33Å; G169-G171 PolarHBondContact O-N 3.11Å; G171-T173 PolarHBondContact O-N 2.95Å
172A48.2Very low56Low65 Ų65125.4 Ų125.454%0.53769%0.688SS.*  trans-8260.8173.800000111.7L168 G169 Q174L168-A172 HydrophobicContact CB-CB 4.26Å; L168-A172 HydrophobicContact CD2-CB 4.22Å; G169-A172 PolarHBondContact O-N 3.44Å; A172-Q174 PolarHBondContact O-N 3.19Å
173T43.9Very low53.4Low126 Ų126135 Ų13577%0.77372%0.724SS**  trans-64.3113.2160-44.20000106.1G171 E175G171-T173 PolarHBondContact O-N 2.95Å; T173-E175 PolarHBondContact O-N 2.95Å
174Q49.1Very low50.6Low140 Ų140130.8 Ų130.865%0.65473%0.733SS**  trans-7082.3179.4-167.4176.778.400108.6A172 R176A172-Q174 PolarHBondContact O-N 3.19Å; Q174-R176 VanDerWaalsContact C-N 3.27Å; Q174-R176 HydrophobicContact CG-CG 4.04Å; Q174-R176 PolarHBondContact O-N 2.81Å
175E40.2Very low48.2Very low182 Ų182131.9 Ų131.985%0.8574%0.741SS**  trans-60.799.4154.2-76.6-165.7147.100106.2T173 G177T173-E175 PolarHBondContact O-N 2.95Å; E175-G177 PolarHBondContact O-N 2.84Å
176R42.7Very low46.2Very low209 Ų209135.8 Ų135.879%0.78977%0.766SS**  trans-70.278.1160.6-67.8-173.8-162-160.14.6106.8Q174 L178Q174-R176 VanDerWaalsContact C-N 3.27Å; Q174-R176 HydrophobicContact CG-CG 4.04Å; Q174-R176 PolarHBondContact O-N 2.81Å; R176-L178 PolarHBondContact O-N 3.24Å
177G37.7Very low44.1Very low65 Ų65140.8 Ų140.867%0.6778%0.776SS**  trans-55.7119.7163.100000108.1E175 G179E175-G177 PolarHBondContact O-N 2.84Å; G177-G179 PolarHBondContact O-N 2.98Å
178L43.4Very low42.7Very low173 Ų173138.3 Ų138.391%0.90678%0.777SS**  trans-49.3112165.7-68.5159.6000107.5R176 D180R176-L178 PolarHBondContact O-N 3.24Å; L178-D180 PolarHBondContact O-N 3.07Å
179G37.5Very low41.8Very low78 Ų78144.6 Ų144.680%0.80479%0.792SS**  trans-62.4104.7175.300000109.4G177G177-G179 PolarHBondContact O-N 2.98Å
180D39.5Very low41Very low155 Ų155146 Ų14683%0.82981%0.806SS**  trans-51.4131.3174.6-167.8-122.1000111L178L178-D180 PolarHBondContact O-N 3.07Å
181R43.8Very low40.4Very low226 Ų226144.7 Ų144.785%0.85379%0.79SS**  trans-74122.6167.1-65.9168.7174.4169.6-2.3106.6
182D37.5Very low39.9Very low138 Ų138150 Ų15074%0.73879%0.789SS**  -172.7155.7118.1-133.3-26.7000115.2
183R39.8Very low39.2Very low227 Ų227155.8 Ų155.886%0.85780%0.797SS**  trans94.586146.3-116.9175.6-79.3-179.1-2.6120.4
184G33.2Very low38.9Very low80 Ų80161.3 Ų161.383%0.82580%0.804SS**  trans-150.2100.5150.900000110.7
185E39.1Very low38.2Very low177 Ų177164.6 Ų164.683%0.82781%0.812SS**  trans-5.8150178.6-76.4-171.8126.200124.2
186P41.6Very low37.8Very low124 Ų124159.2 Ų159.281%0.80581%0.805SS**  trans-85.5134178.335.4-30.6000112.2
187R37.7Very low37.3Very low244 Ų244158.3 Ų158.392%0.92181%0.81SS**  trans-116.1140.6162.4-70.4-169.8179174.81.4110.8
188A36.3Very low37Very low103 Ų103160.7 Ų160.785%0.85182%0.816SS**  trans-64.1151.1-155.800000115.8
189R40.6Very low36.6Very low261 Ų261158.5 Ų158.599%0.98581%0.805SS**  trans-61.4135.9165.2-75.3-178.5173.9-175.4-1.6110.7
190G33Very low36.3Very low74 Ų74166.5 Ų166.576%0.76381%0.811SS**  trans-163.284.5170.800000113
191D36.9Very low36Very low122 Ų122166.5 Ų166.565%0.65281%0.812SS**  trans43.3120.6142.8-124.7-19.1000122.4
192R37.2Very low35.7Very low182 Ų182160.3 Ų160.369%0.68780%0.803SS**  80.8124.6126.4-115.1-179.2-86.2-173.43.2122.7
193R33.1Very low35.6Very low186 Ų186165.3 Ų165.370%0.70281%0.811SS**  trans113.398.2136.7-62.9178.2-163-151.93.6118.8
194R37.8Very low35.6Very low241 Ų241161.9 Ų161.991%0.90981%0.81SS**  27.9106.1114.9-168.8-173.4-159.2-168.85.5119.6
195Y33Very low36Very low209 Ų209169.9 Ų169.982%0.8282%0.815SS**  trans-166.3118.1134.813.5-101.5000105.8
196G32.8Very low36Very low69 Ų69172.6 Ų172.671%0.71182%0.818SS**  86.77760.800000108.5
197E32.9Very low36Very low190 Ų190173.4 Ų173.489%0.88882%0.815SS**  84.5112.8108.4-134.2174.1150.800113.6
198S30.2Very low36Very low115 Ų115172.9 Ų172.980%0.80482%0.815SS**  trans-158.1107161.4-49.60000110.3
199D35.1Very low36.2Very low128 Ų128179.7 Ų179.768%0.68482%0.819SS**  trans45.5121.9137.6-68.3-29.8000120.6
200W30.8Very low36.1Very low245 Ų245176.7 Ų176.793%0.92882%0.816SS**  16380.1105.6-75.4109.7000107.8
201D34.1Very low36.5Very low156 Ų156184.8 Ų184.883%0.83482%0.824SS**  trans-128.2147.2163.8-161.54.4000109.5
202S37Very low36.8Very low95 Ų95186.7 Ų186.766%0.66483%0.834SS**  trans80.784.3173.6-55.50000117.5
203R36.2Very low37.1Very low244 Ų244190 Ų19092%0.92185%0.846SS**  trans-174.997.1135.3-97.6161.2-155.7-149.18.5109.5
204D39.8Very low37.6Very low155 Ų155186.9 Ų186.983%0.82985%0.852SS**  trans168.582.6132.6-106.4-50.6000110.7
205R41.7Very low38Very low247 Ų247182.8 Ų182.893%0.93285%0.849SS**  trans-142.254.7167-82.7-165.1-180172.22.7110.3
206R38.8Very low38.7Very low235 Ų235184.5 Ų184.589%0.88785%0.854SS**  trans-15677.8164.3-69.5-167.1-165.6-177.44.6110.8
207D40.9Very low39.4Very low140 Ų140192.7 Ų192.775%0.74986%0.863SS**  trans-166.658.3149.5-133.5-3.8000116.4
208Y37.6Very low40.1Very low234 Ų234192.9 Ų192.992%0.91886%0.864SS**SBendtrans-147.954.4167.9-70.4-72.8000112.7
209R39.8Very low40.8Very low245 Ų245198.5 Ų198.593%0.92587%0.867SS**SBendtrans-149.960.5164.5-76.4-163.4179.4168.40112
210E39.2Very low41.3Very low198 Ų198199.7 Ų199.793%0.92587%0.874SS**  trans-159.866.8162.5-121.1175.7-150.600111.9
211R42Very low41.8Very low245 Ų245199.7 Ų199.793%0.92587%0.874SS**  trans-152.949.9168.4-149176.2-169.6-166.12.4113.7
212D42.9Very low42.2Very low162 Ų162207.6 Ų207.687%0.86689%0.892SS**SBendtrans-150.241.3176.2-129.1-28.3000114.4
213R44.5Very low42.4Very low252 Ų252213.2 Ų213.295%0.95190%0.903SS**  trans-143.540.5176.8-78.9-165.5177.8170.40114.9
214S42.3Very low42.7Very low119 Ų119211.6 Ų211.683%0.83290%0.902SS**SBendtrans-130.422.4176.666.70000116
215D47.1Very low42.9Very low156 Ų156214.7 Ų214.783%0.83491%0.906SS**SBendtrans-134.435.6-177-147.210.9000115.8
216R47.7Very low43Very low244 Ų244212.8 Ų212.892%0.92191%0.905SS**SBendtrans-143.944.7173.9-70.1-165.4-176.9176.42.5115.2
217R46.3Very low43.2Very low242 Ų242211.4 Ų211.491%0.91391%0.906SS**  trans-144.270.2161.8-69.2-165.2-168.1-129.53.8111.3
218H47.3Very low43.4Very low194 Ų194216.2 Ų216.290%0.89892%0.916SS**  trans-147.674.8158.8-115.2-78.5000109.4
219R44.9Very low43.8Very low232 Ų232214.9 Ų214.988%0.87592%0.916SS**  trans-168.8102.1159.5-102.3174.2-158.7-152.13.5105.3
220D46.3Very low44.1Very low153 Ų153212.6 Ų212.682%0.81892%0.916SS**  trans172.2104.5137.5-78.7-20.3000111.1
221W42.3Very low44.5Very low245 Ų245213.8 Ų213.893%0.92892%0.915SS**  trans21.8120.4149.6-62.381.5000122.2
222R40.8Very low44.8Very low322 Ų322211 Ų211100%1.21591%0.914SS**  -163.70107.9-104.1-175.3-173.6-133.21.8111.3

Retrieved 222 of 222 residues in 160.8 ms (Link to these results)

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