A0A077ZC77_TRITR Loading...

Ly-6 related domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC77, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 152 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
1M57.3Low82.2Confident124 Ų12485.5 Ų85.561%0.61140%0.404SS*.  0-29.40-79.6-71.8-129.200113.4F3 K4 Q5 D22M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 3.21Å; M1-K4 WeakPolarHBondContact O-CB 3.36Å; M1-K4 PolarHBondContact O-N 3.29Å; M1-K4 HydrophobicContact SD-CD 4.25Å; M1-Q5 PolarHBondContact O-N 2.9Å; M1-D22 VanDerWaalsContact N-CG 3.29Å; M1-D22 PolarHBondContact N-OD1 3Å; M1-D22 PolarHBondContact N-OD2 3.1Å
2D72.9Confident82.7Confident47 Ų4786.5 Ų86.525%0.25141%0.414SS..Hα-helixtrans-50.8-46.3-177.7-175.341.4000113.7K4 Q5 K6D2-K4 VanDerWaalsContact C-N 3.27Å; D2-K4 PolarHBondContact O-N 3.46Å; D2-Q5 PolarHBondContact O-N 3.14Å; D2-Q5 VanDerWaalsContact O-N 3.14Å; D2-K6 PolarHBondContact O-N 3.17Å; D2-K6 WeakPolarHBondContact OD1-CE 3.48Å; D2-K6 IonicContact OD1-NZ 3.5Å; D2-K6 PolarHBondContact OD1-NZ 3.14Å; D2-K6 IonicContact OD2-NZ 2.75Å; D2-K6 PolarHBondContact OD2-NZ 3Å
3F77.5Confident83.2Confident30 Ų3082.3 Ų82.313%0.13240%0.395CS..Hα-helixtrans-61.5-32.4178.5-144.3-107.7000113.9M1 W7 I10 Y14 F20 N59 I61M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 3.21Å; F3-W7 PolarHBondContact O-N 3.26Å; F3-I10 HydrophobicContact CD1-CD1 3.56Å; F3-I10 HydrophobicContact CD2-CD1 4.3Å; F3-I10 HydrophobicContact CE1-CD1 3.13Å; F3-I10 HydrophobicContact CE2-CD1 3.96Å; F3-I10 HydrophobicContact CG-CD1 4.12Å; F3-I10 HydrophobicContact CZ-CD1 3.34Å; F3-Y14 HydrophobicContact CZ-CD2 4.49Å; F3-Y14 HydrophobicContact CZ-CE2 4.23Å; F3-F20 HydrophobicContact CD1-CE1 4.16Å; F3-N59 HydrophobicContact CD2-CB 3.54Å; F3-N59 VanDerWaalsContact CD2-CG 3.47Å; F3-N59 HydrophobicContact CE2-CB 3.72Å; F3-N59 HydrophobicContact CG-CB 4.48Å; F3-I61 HydrophobicContact CE1-CD1 3.76Å; F3-I61 HydrophobicContact CE1-CG1 3.77Å; F3-I61 HydrophobicContact CE2-CD1 4.46Å; F3-I61 HydrophobicContact CZ-CD1 3.43Å; F3-I61 VanDerWaalsContact CZ-CD1 3.43Å; F3-I61 HydrophobicContact CZ-CG1 3.76Å
4K84.3Confident83.7Confident116 Ų11676.8 Ų76.850%0.50437%0.368SS..Hα-helixtrans-69.7-40.3176.7-174.4-178.7176.8-1780111.2M1 D2 K6 W7 F20M1-K4 WeakPolarHBondContact O-CB 3.36Å; M1-K4 PolarHBondContact O-N 3.29Å; M1-K4 HydrophobicContact SD-CD 4.25Å; D2-K4 VanDerWaalsContact C-N 3.27Å; D2-K4 PolarHBondContact O-N 3.46Å; K4-K6 VanDerWaalsContact C-N 3.25Å; K4-K6 PolarHBondContact O-N 3.04Å; K4-W7 WeakPolarHBondContact O-CB 3.18Å; K4-W7 PolarHBondContact O-N 3.24Å; K4-F20 HydrophobicContact CB-CB 4.01Å; K4-F20 HydrophobicContact CB-CD1 3.69Å; K4-F20 HydrophobicContact CB-CD2 4.27Å; K4-F20 HydrophobicContact CB-CE1 4.17Å; K4-F20 HydrophobicContact CB-CG 3.73Å; K4-F20 HydrophobicContact CD-CB 4.2Å; K4-F20 HydrophobicContact CD-CD2 4.29Å; K4-F20 HydrophobicContact CD-CG 4.29Å; K4-F20 HydrophobicContact CG-CB 4.29Å; K4-F20 HydrophobicContact CG-CD1 4.27Å; K4-F20 HydrophobicContact CG-CD2 3.95Å; K4-F20 HydrophobicContact CG-CE2 4.31Å; K4-F20 HydrophobicContact CG-CG 3.92Å
5Q86.1Confident84.3Confident151 Ų15179.5 Ų79.571%0.70637%0.374SS*.Hα-helixtrans-66.5-31.9179.2-68.4174.7-23.600111.7M1 D2 W7M1-Q5 PolarHBondContact O-N 2.9Å; D2-Q5 PolarHBondContact O-N 3.14Å; D2-Q5 VanDerWaalsContact O-N 3.14Å; Q5-W7 VanDerWaalsContact C-N 3.28Å; Q5-W7 PolarHBondContact O-N 3.41Å
6K85.5Confident84.6Confident71 Ų7179.7 Ų79.731%0.30938%0.384SS..THydrogen-bonded Turntrans-82.9-0.3177.8-66.7170179.8167.60113.6D2 K4 N8 F9 I10D2-K6 PolarHBondContact O-N 3.17Å; D2-K6 WeakPolarHBondContact OD1-CE 3.48Å; D2-K6 IonicContact OD1-NZ 3.5Å; D2-K6 PolarHBondContact OD1-NZ 3.14Å; D2-K6 IonicContact OD2-NZ 2.75Å; D2-K6 PolarHBondContact OD2-NZ 3Å; K4-K6 VanDerWaalsContact C-N 3.25Å; K4-K6 PolarHBondContact O-N 3.04Å; K6-N8 VanDerWaalsContact C-N 3.3Å; K6-N8 PolarHBondContact O-N 3.36Å; K6-N8 VanDerWaalsContact O-N 3.14Å; K6-F9 WeakPolarHBondContact O-CB 3.22Å; K6-F9 PolarHBondContact O-N 2.56Å; K6-I10 WeakPolarHBondContact O-CG1 3.21Å; K6-I10 PolarHBondContact O-N 2.81Å
7W88.7Confident84.9Confident48 Ų4877.9 Ų77.918%0.18238%0.38CS..Hα-helixtrans-53.2-42.1-169.3-178.8-111000113.9F3 K4 Q5 F9 I10 S11 Y15 P16 P17 F20F3-W7 PolarHBondContact O-N 3.26Å; K4-W7 WeakPolarHBondContact O-CB 3.18Å; K4-W7 PolarHBondContact O-N 3.24Å; Q5-W7 VanDerWaalsContact C-N 3.28Å; Q5-W7 PolarHBondContact O-N 3.41Å; W7-F9 PolarHBondContact O-N 2.9Å; W7-F9 VanDerWaalsContact O-N 3.1Å; W7-I10 HydrophobicContact CE3-CD1 3.8Å; W7-I10 HydrophobicContact CE3-CG1 3.76Å; W7-I10 HydrophobicContact CZ3-CD1 4.15Å; W7-I10 HydrophobicContact CZ3-CG1 4.18Å; W7-I10 CarbonylContact O-C 3.57Å; W7-I10 PolarHBondContact O-N 2.73Å; W7-S11 PolarHBondContact O-N 2.97Å; W7-S11 PolarHBondContact O-OG 3.02Å; W7-Y15 WeakPolarHBondContact CH2-O 3.03Å; W7-P16 HydrophobicContact CH2-CB 4.23Å; W7-P16 VanDerWaalsContact CZ2-CA 3.41Å; W7-P16 HydrophobicContact CZ2-CB 3.73Å; W7-P17 HydrophobicContact CZ3-CG 4.42Å; W7-F20 HydrophobicContact CB-CZ 4.37Å; W7-F20 AromaticContact CD2-CZ 3.83Å; W7-F20 HydrophobicContact CD2-CZ 3.83Å; W7-F20 HydrophobicContact CE3-CE1 4.09Å; W7-F20 AromaticContact CE3-CZ 3.58Å; W7-F20 HydrophobicContact CE3-CZ 3.58Å; W7-F20 HydrophobicContact CG-CZ 4.16Å; W7-F20 HydrophobicContact CZ3-CZ 4.28Å
8N88.3Confident85.2Confident137 Ų13781.9 Ų81.973%0.73340%0.4SS*.Hα-helixtrans-60.1-24.5179.9-68-15.1000113.6K6 S11K6-N8 VanDerWaalsContact C-N 3.3Å; K6-N8 PolarHBondContact O-N 3.36Å; K6-N8 VanDerWaalsContact O-N 3.14Å; N8-S11 PolarHBondContact O-OG 3.23Å
9F85.5Confident85.4Confident172 Ų17280.7 Ų80.775%0.75440%0.396SS*.Hα-helixtrans-89.4-18177.6-59.3-79.7000113.3K6 W7K6-F9 WeakPolarHBondContact O-CB 3.22Å; K6-F9 PolarHBondContact O-N 2.56Å; W7-F9 PolarHBondContact O-N 2.9Å; W7-F9 VanDerWaalsContact O-N 3.1Å
10I87.4Confident85.6Confident26 Ų2680.1 Ų80.113%0.13339%0.391CS..Hα-helixtrans-122-4.9-171.563.8159.4000114.3F3 K6 W7 Y14F3-I10 HydrophobicContact CD1-CD1 3.56Å; F3-I10 HydrophobicContact CD2-CD1 4.3Å; F3-I10 HydrophobicContact CE1-CD1 3.13Å; F3-I10 HydrophobicContact CE2-CD1 3.96Å; F3-I10 HydrophobicContact CG-CD1 4.12Å; F3-I10 HydrophobicContact CZ-CD1 3.34Å; K6-I10 WeakPolarHBondContact O-CG1 3.21Å; K6-I10 PolarHBondContact O-N 2.81Å; W7-I10 HydrophobicContact CE3-CD1 3.8Å; W7-I10 HydrophobicContact CE3-CG1 3.76Å; W7-I10 HydrophobicContact CZ3-CD1 4.15Å; W7-I10 HydrophobicContact CZ3-CG1 4.18Å; W7-I10 CarbonylContact O-C 3.57Å; W7-I10 PolarHBondContact O-N 2.73Å; I10-Y14 HydrophobicContact CB-CD2 4.11Å; I10-Y14 HydrophobicContact CB-CE2 4.5Å; I10-Y14 HydrophobicContact CD1-CD2 4.4Å; I10-Y14 WeakPolarHBondContact O-CD2 3.45Å; I10-Y14 PolarHBondContact O-N 3.42Å
11S90.7Very high85.7Confident18 Ų1878.2 Ų78.213%0.12638%0.384CS..THydrogen-bonded Turntrans-52.3178.4142.657.30000108W7 N8 I13W7-S11 PolarHBondContact O-N 2.97Å; W7-S11 PolarHBondContact O-OG 3.02Å; N8-S11 PolarHBondContact O-OG 3.23Å; S11-I13 PolarHBondContact O-N 3.17Å
12D88.8Confident87Confident98 Ų9878 Ų7852%0.52439%0.385SS..THydrogen-bonded Turntrans66.5-48.5-165.5-48.2-11000113R70 Y71D12-R70 WeakPolarHBondContact O-CD 3.38Å; D12-R70 IonicContact OD1-NH1 2.73Å; D12-Y71 WeakPolarHBondContact O-CE2 3.36Å
13I88.3Confident87.6Confident32 Ų3276.2 Ų76.216%0.16438%0.377CS..THydrogen-bonded Turntrans-85.1-52176-49.5-178.8000111.2S11 A69 R70 F98S11-I13 PolarHBondContact O-N 3.17Å; I13-A69 CarbonylContact O-C 3.18Å; I13-A69 WeakPolarHBondContact O-CA 3.49Å; I13-R70 PolarHBondContact O-N 3.24Å; I13-F98 HydrophobicContact CG2-CD1 4.15Å; I13-F98 HydrophobicContact CG2-CE1 4.09Å
14Y91.1Very high87.9Confident5 Ų575.6 Ų75.62%0.0238%0.377CS..BIsolated β-bridgetrans-108.4150.7-169.8-60-64.8000113.7F3 I10 E47 I61 I68 R70 F98F3-Y14 HydrophobicContact CZ-CD2 4.49Å; F3-Y14 HydrophobicContact CZ-CE2 4.23Å; I10-Y14 HydrophobicContact CB-CD2 4.11Å; I10-Y14 HydrophobicContact CB-CE2 4.5Å; I10-Y14 HydrophobicContact CD1-CD2 4.4Å; I10-Y14 WeakPolarHBondContact O-CD2 3.45Å; I10-Y14 PolarHBondContact O-N 3.42Å; Y14-E47 PolarHBondContact OH-OE1 3.41Å; Y14-I61 HydrophobicContact CD1-CD1 3.97Å; Y14-I61 HydrophobicContact CD2-CD1 3.94Å; Y14-I61 HydrophobicContact CE1-CD1 3.51Å; Y14-I61 HydrophobicContact CE2-CD1 3.49Å; Y14-I61 VanDerWaalsContact CE2-CD1 3.49Å; Y14-I61 HydrophobicContact CG-CD1 4.17Å; Y14-I68 WeakPolarHBondContact CA-O 3.41Å; Y14-I68 HydrophobicContact CD1-CG2 3.9Å; Y14-I68 HydrophobicContact CE1-CG2 4.1Å; Y14-R70 PolarHBondContact O-NE 3.42Å; Y14-R70 PolarHBondContact O-NH2 3.14Å; Y14-F98 HydrophobicContact CD1-CE1 4.44Å; Y14-F98 AromaticContact CE1-CE1 3.6Å; Y14-F98 HydrophobicContact CE1-CE1 3.6Å; Y14-F98 AromaticContact CE1-CZ 3.66Å; Y14-F98 HydrophobicContact CE1-CZ 3.66Å; Y14-F98 AromaticContact CZ-CZ 3.86Å; Y14-F98 VanDerWaalsContact OH-CZ 3.29Å; Y14-F98 WeakPolarHBondContact OH-CZ 3.37Å
15Y92.1Very high87.6Confident117 Ų11771.1 Ų71.146%0.45936%0.363SS..PPolyproline II helixtrans-72.1147161.6-74.6-75.2000110.7W7 K67 I68 R70W7-Y15 WeakPolarHBondContact CH2-O 3.03Å; Y15-K67 VanDerWaalsContact CD2-O 3.31Å; Y15-K67 WeakPolarHBondContact CD2-O 3.33Å; Y15-I68 PolarHBondContact N-O 3.45Å; Y15-R70 HydrophobicContact CD1-CG 4.25Å; Y15-R70 HydrophobicContact CD2-CG 4.24Å; Y15-R70 HydrophobicContact CE1-CG 4.2Å; Y15-R70 HydrophobicContact CE2-CB 4.47Å; Y15-R70 HydrophobicContact CE2-CG 4.2Å; Y15-R70 HydrophobicContact CG-CG 4.27Å
16P89.2Confident86.9Confident83 Ų8368.4 Ų68.454%0.53935%0.351SS..PPolyproline II helixtrans-56.9128.9178.521.2-30.3000111.2W7W7-P16 HydrophobicContact CH2-CB 4.23Å; W7-P16 VanDerWaalsContact CZ2-CA 3.41Å; W7-P16 HydrophobicContact CZ2-CB 3.73Å
17P89.8Confident86.4Confident49 Ų4969.7 Ų69.732%0.31837%0.366SS..PPolyproline II helixtrans-61.9149.6172.8-2233000111.5W7 N19 F20W7-P17 HydrophobicContact CZ3-CG 4.42Å; P17-N19 VanDerWaalsContact C-N 3.33Å; P17-F20 HydrophobicContact CG-CD1 4.31Å; P17-F20 HydrophobicContact CG-CE1 3.78Å; P17-F20 HydrophobicContact CG-CE2 4.16Å; P17-F20 HydrophobicContact CG-CZ 3.7Å
18M90.2Very high85.9Confident151 Ų15168.6 Ų68.674%0.74436%0.363SS*.SBendtrans-60.5-43.9171.1-109.3-68.6-165.400111.7A34 V36M18-A34 HydrophobicContact CB-CB 3.68Å; M18-A34 HydrophobicContact CG-CB 4.36Å; M18-V36 HydrophobicContact CG-CG1 4.04Å
19N89.8Confident85.6Confident59 Ų5970.2 Ų70.232%0.31636%0.359SS..  trans-142.9138.617170.5-29.7000110.9P17 S32 A34P17-N19 VanDerWaalsContact C-N 3.33Å; N19-S32 PolarHBondContact ND2-O 3.37Å; N19-A34 WeakPolarHBondContact OD1-CB 3.46Å; N19-A34 PolarHBondContact OD1-N 3.31Å
20F87.6Confident85.4Confident68 Ų6866.7 Ų66.730%0.29835%0.345SS..  trans-84.1122.5163.1-68.3-89.8000107.7F3 K4 W7 P17F3-F20 HydrophobicContact CD1-CE1 4.16Å; K4-F20 HydrophobicContact CB-CB 4.01Å; K4-F20 HydrophobicContact CB-CD1 3.69Å; K4-F20 HydrophobicContact CB-CD2 4.27Å; K4-F20 HydrophobicContact CB-CE1 4.17Å; K4-F20 HydrophobicContact CB-CG 3.73Å; K4-F20 HydrophobicContact CD-CB 4.2Å; K4-F20 HydrophobicContact CD-CD2 4.29Å; K4-F20 HydrophobicContact CD-CG 4.29Å; K4-F20 HydrophobicContact CG-CB 4.29Å; K4-F20 HydrophobicContact CG-CD1 4.27Å; K4-F20 HydrophobicContact CG-CD2 3.95Å; K4-F20 HydrophobicContact CG-CE2 4.31Å; K4-F20 HydrophobicContact CG-CG 3.92Å; W7-F20 HydrophobicContact CB-CZ 4.37Å; W7-F20 AromaticContact CD2-CZ 3.83Å; W7-F20 HydrophobicContact CD2-CZ 3.83Å; W7-F20 HydrophobicContact CE3-CE1 4.09Å; W7-F20 AromaticContact CE3-CZ 3.58Å; W7-F20 HydrophobicContact CE3-CZ 3.58Å; W7-F20 HydrophobicContact CG-CZ 4.16Å; W7-F20 HydrophobicContact CZ3-CZ 4.28Å; P17-F20 HydrophobicContact CG-CD1 4.31Å; P17-F20 HydrophobicContact CG-CE1 3.78Å; P17-F20 HydrophobicContact CG-CE2 4.16Å; P17-F20 HydrophobicContact CG-CZ 3.7Å
21T88.1Confident85.2Confident41 Ų4171.2 Ų71.225%0.25238%0.379SS..  trans-146.9141.2-178.9-176.90000110.7A23 I33T21-A23 HydrophobicContact CG2-CB 4.03Å; T21-A23 PolarHBondContact O-N 3.21Å; T21-A23 WeakPolarHBondContact OG1-CB 3.49Å; T21-A23 PolarHBondContact OG1-N 3.46Å; T21-A23 VanDerWaalsContact OG1-N 3.14Å; T21-I33 HydrophobicContact CG2-CG1 4.07Å
22D85.2Confident84.9Confident118 Ų11873.2 Ų73.263%0.63139%0.393SS*.G310 helixtrans-76.3-9.1172.2-64.5-35.8000111.6M1 C24 G25M1-D22 VanDerWaalsContact N-CG 3.29Å; M1-D22 PolarHBondContact N-OD1 3Å; M1-D22 PolarHBondContact N-OD2 3.1Å; D22-C24 PolarHBondContact O-N 2.77Å; D22-C24 VanDerWaalsContact O-N 3.17Å; D22-G25 PolarHBondContact O-N 3.3Å
23A85.8Confident84.9Confident10 Ų1069.2 Ų69.28%0.08337%0.371CS..G310 helixtrans-63.6-16.4173.700000113.7T21 G25 M28 R29 I33T21-A23 HydrophobicContact CG2-CB 4.03Å; T21-A23 PolarHBondContact O-N 3.21Å; T21-A23 WeakPolarHBondContact OG1-CB 3.49Å; T21-A23 PolarHBondContact OG1-N 3.46Å; T21-A23 VanDerWaalsContact OG1-N 3.14Å; A23-G25 VanDerWaalsContact C-N 3.28Å; A23-M28 CarbonylContact O-C 3.55Å; A23-M28 VanDerWaalsContact O-CA 3.24Å; A23-M28 WeakPolarHBondContact O-CA 3.4Å; A23-M28 WeakPolarHBondContact O-CG 3.44Å; A23-R29 HydrophobicContact CB-CB 3.98Å; A23-R29 PolarHBondContact O-N 3.49Å; A23-I33 HydrophobicContact CB-CD1 4.42Å; A23-I33 HydrophobicContact CB-CG1 3.93Å
24C82.8Confident85Confident17 Ų1769.5 Ų69.512%0.11538%0.379CS..G310 helixtrans-75.4-16.6173.7-69.70000113.2D22 Y60D22-C24 PolarHBondContact O-N 2.77Å; D22-C24 VanDerWaalsContact O-N 3.17Å; C24-Y60 WeakPolarHBondContact O-CD2 3.37Å
25G78.5Confident85Confident22 Ų2273 Ų7323%0.22740%0.401CS..SBendtrans-70.6-176.7175.300000113D22 A23 P27 M28D22-G25 PolarHBondContact O-N 3.3Å; A23-G25 VanDerWaalsContact C-N 3.28Å; G25-P27 CarbonylContact O-C 3.57Å; G25-M28 WeakPolarHBondContact O-CA 3.41Å; G25-M28 WeakPolarHBondContact O-CB 3.08Å; G25-M28 PolarHBondContact O-N 2.92Å
26E71.8Confident84.9Confident95 Ų9570.9 Ų70.944%0.44440%0.4SS..SBendtrans-99.9129.6175-74.4-68.8-173.400111.9M28 R125E26-M28 PolarHBondContact OE2-N 3.24Å; E26-R125 VanDerWaalsContact OE1-CB 3.31Å; E26-R125 WeakPolarHBondContact OE1-CB 3.05Å; E26-R125 WeakPolarHBondContact OE1-CD 3.02Å; E26-R125 IonicContact OE1-CZ 2.97Å; E26-R125 IonicContact OE1-NE 2.91Å; E26-R125 IonicContact OE1-NH1 3.64Å; E26-R125 PolarHBondContact OE1-NH1 2.99Å; E26-R125 IonicContact OE2-NH1 3.91Å; E26-R125 PolarHBondContact OE2-NH1 3.44Å
27P74.4Confident85.1Confident97 Ų9773 Ų7363%0.6341%0.414SS*.SBendcis-76.1133.2-3.530.7-33.4000112.9G25G25-P27 CarbonylContact O-C 3.57Å
28M77.8Confident85.3Confident25 Ų2572.9 Ų72.912%0.12341%0.414CS..PPolyproline II helixtrans-70.6138.9-177.6-165.6-174.579.700112.4A23 G25 E26 E30 I33 S120A23-M28 CarbonylContact O-C 3.55Å; A23-M28 VanDerWaalsContact O-CA 3.24Å; A23-M28 WeakPolarHBondContact O-CA 3.4Å; A23-M28 WeakPolarHBondContact O-CG 3.44Å; G25-M28 WeakPolarHBondContact O-CA 3.41Å; G25-M28 WeakPolarHBondContact O-CB 3.08Å; G25-M28 PolarHBondContact O-N 2.92Å; E26-M28 PolarHBondContact OE2-N 3.24Å; M28-E30 HydrophobicContact CE-CG 3.24Å; M28-I33 HydrophobicContact CE-CD1 4.31Å; M28-I33 HydrophobicContact CG-CD1 3.47Å; M28-I33 VanDerWaalsContact CG-CD1 3.47Å; M28-I33 HydrophobicContact SD-CD1 3.8Å; M28-S120 VanDerWaalsContact CE-CB 3.5Å; M28-S120 WeakPolarHBondContact CE-O 3.24Å
29R83.7Confident85.3Confident172 Ų17272.2 Ų72.265%0.64942%0.423SS*.  trans-112.889.7178.9-56.8178.4-171.9167.31.3110.5A23 S31 S32A23-R29 HydrophobicContact CB-CB 3.98Å; A23-R29 PolarHBondContact O-N 3.49Å; R29-S31 VanDerWaalsContact C-N 3.27Å; R29-S31 PolarHBondContact O-N 2.93Å; R29-S32 PolarHBondContact O-N 3.49Å
30E79.8Confident85.3Confident98 Ų9871.6 Ų71.646%0.45842%0.424SS..G310 helixtrans-53.2-38.9-173.5-78.8177.6-160.500114.5M28 S32 I33 S120M28-E30 HydrophobicContact CE-CG 3.24Å; E30-S32 PolarHBondContact O-N 3.11Å; E30-S32 VanDerWaalsContact O-N 3.14Å; E30-I33 PolarHBondContact O-N 3Å; E30-S120 VanDerWaalsContact OE1-CB 3.28Å; E30-S120 WeakPolarHBondContact OE1-CB 3.05Å
31S83.2Confident85.5Confident120 Ų12068.9 Ų68.984%0.83941%0.414SS*.G310 helixtrans-63.8-18.1-179.6560000114R29R29-S31 VanDerWaalsContact C-N 3.27Å; R29-S31 PolarHBondContact O-N 2.93Å
32S85Confident85.7Confident60 Ų6067.6 Ų67.642%0.4241%0.406SS..G310 helixtrans-102.27.9-177.7-53.80000113.2N19 R29 E30N19-S32 PolarHBondContact ND2-O 3.37Å; R29-S32 PolarHBondContact O-N 3.49Å; E30-S32 PolarHBondContact O-N 3.11Å; E30-S32 VanDerWaalsContact O-N 3.14Å
33I88.2Confident86Confident14 Ų1462 Ų627%0.07238%0.376CS..SBendtrans-115130-175.9-55.5168.7000109.3T21 A23 M28 E30T21-I33 HydrophobicContact CG2-CG1 4.07Å; A23-I33 HydrophobicContact CB-CD1 4.42Å; A23-I33 HydrophobicContact CB-CG1 3.93Å; M28-I33 HydrophobicContact CE-CD1 4.31Å; M28-I33 HydrophobicContact CG-CD1 3.47Å; M28-I33 VanDerWaalsContact CG-CD1 3.47Å; M28-I33 HydrophobicContact SD-CD1 3.8Å; E30-I33 PolarHBondContact O-N 3Å
34A90.2Very high86.2Confident39 Ų3961.6 Ų61.632%0.32237%0.373SS..  trans-65.5143178.100000111.4M18 N19M18-A34 HydrophobicContact CB-CB 3.68Å; M18-A34 HydrophobicContact CG-CB 4.36Å; N19-A34 WeakPolarHBondContact OD1-CB 3.46Å; N19-A34 PolarHBondContact OD1-N 3.31Å
35T90.9Very high86.6Confident79 Ų7960.8 Ų60.849%0.48537%0.368SS..  trans-108.6144.8176.4550000110.7
36V91.8Very high87.1Confident71 Ų7159.8 Ų59.843%0.4336%0.357SS..  trans-131.2144.7176.4-640000109.9M18M18-V36 HydrophobicContact CG-CG1 4.04Å
37P93.4Very high87.9Confident129 Ų12956.1 Ų56.184%0.83834%0.34SS*.  trans-71.5132.7173.828.9-33000110.5
38C93.3Very high88.4Confident46 Ų4653 Ų5331%0.31132%0.322SS..  trans-113.6124.3177.6-62.60000111.4S40 C64C38-S40 VanDerWaalsContact C-N 3.27Å; C38-S40 WeakPolarHBondContact CB-O 3.11Å; C38-C64 WeakPolarHBondContact CA-SG 3.45Å; C38-C64 HydrophobicContact CB-CB 3.75Å; C38-C64 WeakPolarHBondContact CB-SG 3.32Å; C38-C64 WeakPolarHBondContact SG-CA 3.29Å; C38-C64 WeakPolarHBondContact SG-CB 3.45Å; C38-C64 CovalentContact SG-SG 2.03Å; C38-C64 PolarHBondContact SG-SG 2.86Å
39S90.9Very high88.8Confident136 Ų13652.3 Ų52.395%0.95132%0.32SS*.SBendtrans-84.6-2.9164.455.70000113
40S89.3Confident88.9Confident47 Ų4750.6 Ų50.633%0.32931%0.314SS..SBendtrans-127.7177.9-179.457.30000110.3C38C38-S40 VanDerWaalsContact C-N 3.27Å; C38-S40 WeakPolarHBondContact CB-O 3.11Å
41A90.8Very high89.2Confident10 Ų1051.3 Ų51.38%0.08332%0.32CS..  trans-57.3148.6175.900000111.8I65 I112 Y114A41-I65 HydrophobicContact CB-CG2 4.19Å; A41-I65 PolarHBondContact O-N 3.47Å; A41-I112 HydrophobicContact CB-CG2 3.58Å; A41-Y114 HydrophobicContact CB-CD1 4.02Å; A41-Y114 HydrophobicContact CB-CE1 3.54Å
42C92Very high89.4Confident14 Ų1449.6 Ų49.610%0.09532%0.322CS..EExtended strand (participates in β ladder)trans-81.6147.2168.9-63.40000109.3I112 C113 N119C42-I112 WeakPolarHBondContact O-CA 3.35Å; C42-C113 PolarHBondContact N-O 3.32Å; C42-C113 PolarHBondContact O-N 3.12Å; C42-N119 HydrophobicContact CB-CB 3.99Å
43A91.6Very high89.5Confident0 Ų050 Ų500%034%0.336CS..EExtended strand (participates in β ladder)trans-133.9153.8173.100000111.7R62 G63 I65 I68 I110 C111 N119A43-R62 WeakPolarHBondContact O-CA 3.41Å; A43-G63 PolarHBondContact N-O 3.34Å; A43-G63 PolarHBondContact O-N 2.96Å; A43-G63 VanDerWaalsContact O-N 3.17Å; A43-I65 HydrophobicContact CB-CB 4.42Å; A43-I65 HydrophobicContact CB-CD1 4.33Å; A43-I65 HydrophobicContact CB-CG1 4.44Å; A43-I68 HydrophobicContact CB-CD1 3.83Å; A43-I110 HydrophobicContact CB-CD1 4.48Å; A43-C111 VanDerWaalsContact CA-O 3.25Å; A43-C111 WeakPolarHBondContact CA-O 3.4Å; A43-N119 PolarHBondContact O-ND2 3.04Å
44I90.7Very high89.5Confident3 Ų356.8 Ų56.82%0.01537%0.367CS..EExtended strand (participates in β ladder)trans-126.4130.7163-173.4169000108.2Y60 I61 I110 C111 N119 A124 R125I44-Y60 HydrophobicContact CD1-CD1 4.02Å; I44-Y60 HydrophobicContact CG1-CD1 4.47Å; I44-I61 CarbonylContact C-O 3.58Å; I44-I61 WeakPolarHBondContact CA-O 3.31Å; I44-I110 WeakPolarHBondContact O-CA 3.44Å; I44-C111 HydrophobicContact CG2-CB 3.8Å; I44-C111 PolarHBondContact N-O 3.5Å; I44-C111 PolarHBondContact O-N 3.42Å; I44-N119 HydrophobicContact CB-CB 4.34Å; I44-A124 HydrophobicContact CG2-CB 4.09Å; I44-R125 HydrophobicContact CD1-CG 4.13Å
45I90.8Very high89.3Confident0 Ų060 Ų600%037%0.374CS..EExtended strand (participates in β ladder)trans-110.6132.2172.5-57.6177.2000107.1E47 Y60 I61 I68 F73 F98 V108 T109 I110I45-E47 HydrophobicContact CG2-CG 3.9Å; I45-Y60 WeakPolarHBondContact O-CA 3.47Å; I45-I61 HydrophobicContact CB-CB 4.32Å; I45-I61 PolarHBondContact N-O 3.32Å; I45-I61 PolarHBondContact O-N 3.04Å; I45-I68 HydrophobicContact CD1-CG2 3.82Å; I45-F73 HydrophobicContact CD1-CE1 3.85Å; I45-F73 HydrophobicContact CD1-CZ 3.72Å; I45-F98 HydrophobicContact CD1-CE1 4.49Å; I45-F98 HydrophobicContact CD1-CZ 4Å; I45-V108 HydrophobicContact CG2-CB 4.49Å; I45-T109 CarbonylContact C-O 3.51Å; I45-T109 WeakPolarHBondContact CA-O 3.36Å; I45-I110 HydrophobicContact CG1-CB 4.42Å; I45-I110 HydrophobicContact CG1-CD1 4.13Å; I45-I110 HydrophobicContact CG1-CG1 4.08Å
46C89.9Confident89.1Confident1 Ų158.8 Ų58.81%0.00737%0.372CS..EExtended strand (participates in β ladder)trans-121.7116.1178.4-51.60000108.1N59 Y60 T109 C128C46-N59 WeakPolarHBondContact CA-O 3.34Å; C46-Y60 HydrophobicContact CB-CD1 4.13Å; C46-Y60 HydrophobicContact CB-CE1 4.09Å; C46-Y60 WeakPolarHBondContact SG-CD1 3.28Å; C46-Y60 VanDerWaalsContact SG-CE1 3.51Å; C46-T109 PolarHBondContact N-O 3.19Å; C46-T109 PolarHBondContact O-N 3.02Å; C46-C128 HydrophobicContact CB-CB 3.98Å; C46-C128 WeakPolarHBondContact CB-SG 3.47Å
47E87.2Confident88.8Confident17 Ų1756.4 Ų56.48%0.07936%0.361CS..EExtended strand (participates in β ladder)trans-110.9127.3-178.9-54.6-168.212900109Y14 I45 S49 Y58 N59 R94 V108Y14-E47 PolarHBondContact OH-OE1 3.41Å; I45-E47 HydrophobicContact CG2-CG 3.9Å; E47-S49 PolarHBondContact O-N 2.95Å; E47-Y58 CarbonylContact O-C 3.57Å; E47-Y58 VanDerWaalsContact O-CA 3.29Å; E47-Y58 WeakPolarHBondContact O-CA 3.3Å; E47-N59 PolarHBondContact N-O 2.71Å; E47-N59 PolarHBondContact O-N 2.99Å; E47-R94 VanDerWaalsContact CD-NH2 3.3Å; E47-R94 IonicContact OE1-CZ 3.42Å; E47-R94 IonicContact OE1-NE 3.53Å; E47-R94 IonicContact OE1-NH2 2.6Å; E47-R94 PolarHBondContact OE1-NH2 2.95Å; E47-R94 IonicContact OE2-NH2 3.3Å; E47-V108 HydrophobicContact CG-CG1 3.95Å
48A86.4Confident88.4Confident31 Ų3152.7 Ų52.726%0.25633%0.331SS..EExtended strand (participates in β ladder)trans-68.7132.2174.200000109.6Y50 F55 Y58A48-Y50 HydrophobicContact CB-CD2 4.4Å; A48-Y50 HydrophobicContact CB-CE2 3.6Å; A48-F55 HydrophobicContact CB-CD2 4.39Å; A48-F55 HydrophobicContact CB-CE2 4.09Å; A48-Y58 HydrophobicContact CB-CD1 4.23Å; A48-Y58 HydrophobicContact CB-CE1 4Å
49S84.8Confident88.1Confident11 Ų1151.9 Ų51.98%0.07732%0.323CS..EExtended strand (participates in β ladder)trans-98.4137.5174.2-167.50000109.4E47 A56 G57E47-S49 PolarHBondContact O-N 2.95Å; S49-A56 PolarHBondContact O-N 3.23Å; S49-G57 PolarHBondContact N-O 3.47Å
50Y86.1Confident88Confident136 Ų13647.2 Ų47.253%0.53329%0.285SS..EExtended strand (participates in β ladder)trans-127.1136.9175.6-65.2-93.4000109.9A48 Q54 F55A48-Y50 HydrophobicContact CB-CD2 4.4Å; A48-Y50 HydrophobicContact CB-CE2 3.6Å; Y50-Q54 CarbonylContact C-O 3.52Å; Y50-Q54 WeakPolarHBondContact CA-O 3.39Å; Y50-F55 HydrophobicContact CD1-CB 4.33Å; Y50-F55 HydrophobicContact CE1-CB 4.04Å; Y50-F55 HydrophobicContact CE1-CD2 4.35Å
51I86Confident88Confident113 Ų11345.9 Ų45.958%0.57928%0.275SS*.EExtended strand (participates in β ladder)trans-124.7116.9175.2-59.6173.8000107G53 Q54 A56I51-G53 PolarHBondContact O-N 3.21Å; I51-Q54 PolarHBondContact N-O 2.82Å; I51-Q54 PolarHBondContact O-N 3.2Å; I51-A56 HydrophobicContact CB-CB 4.27Å; I51-A56 HydrophobicContact CD1-CB 3.63Å; I51-A56 HydrophobicContact CG1-CB 3.66Å
52G88.8Confident88Confident85 Ų8547.7 Ų47.788%0.87628%0.279SS*.THydrogen-bonded Turntrans58.731-175.800000113.8Q54G52-Q54 VanDerWaalsContact C-N 3.25Å; G52-Q54 PolarHBondContact O-N 3.14Å
53G87Confident88Confident69 Ų6947.7 Ų47.771%0.71128%0.281SS*.THydrogen-bonded Turntrans80.9-7.2-175.800000115.1I51I51-G53 PolarHBondContact O-N 3.21Å
54Q87.8Confident88.1Confident155 Ų15548 Ų4872%0.72428%0.284SS*.EExtended strand (participates in β ladder)trans-89.8140.2175.7-64-170.34000111.4Y50 I51 G52 A56Y50-Q54 CarbonylContact C-O 3.52Å; Y50-Q54 WeakPolarHBondContact CA-O 3.39Å; I51-Q54 PolarHBondContact N-O 2.82Å; I51-Q54 PolarHBondContact O-N 3.2Å; G52-Q54 VanDerWaalsContact C-N 3.25Å; G52-Q54 PolarHBondContact O-N 3.14Å; Q54-A56 PolarHBondContact O-N 2.81Å
55F86.1Confident88.2Confident107 Ų10749 Ų4947%0.46929%0.288SS..EExtended strand (participates in β ladder)trans-63.9119.5176175.8-102.9000110.3A48 Y50 G57 Y58A48-F55 HydrophobicContact CB-CD2 4.39Å; A48-F55 HydrophobicContact CB-CE2 4.09Å; Y50-F55 HydrophobicContact CD1-CB 4.33Å; Y50-F55 HydrophobicContact CE1-CB 4.04Å; Y50-F55 HydrophobicContact CE1-CD2 4.35Å; F55-G57 WeakPolarHBondContact CE2-O 3.48Å; F55-G57 WeakPolarHBondContact CZ-O 3.22Å; F55-Y58 HydrophobicContact CE2-CD2 4.37Å; F55-Y58 HydrophobicContact CE2-CE1 4.16Å; F55-Y58 HydrophobicContact CE2-CE2 4.02Å; F55-Y58 AromaticContact CE2-CZ 3.89Å; F55-Y58 AromaticContact CZ-CD2 3.79Å; F55-Y58 HydrophobicContact CZ-CD2 3.79Å; F55-Y58 HydrophobicContact CZ-CE1 4.42Å; F55-Y58 AromaticContact CZ-CE2 3.45Å; F55-Y58 HydrophobicContact CZ-CE2 3.45Å; F55-Y58 VanDerWaalsContact CZ-CE2 3.45Å; F55-Y58 HydrophobicContact CZ-CG 4.39Å; F55-Y58 AromaticContact CZ-CZ 3.79Å
56A85.6Confident88.2Confident54 Ų5451.7 Ų51.745%0.44632%0.316SS..EExtended strand (participates in β ladder)trans-107.55.1-176.400000113.1S49 I51 Q54S49-A56 PolarHBondContact O-N 3.23Å; I51-A56 HydrophobicContact CB-CB 4.27Å; I51-A56 HydrophobicContact CD1-CB 3.63Å; I51-A56 HydrophobicContact CG1-CB 3.66Å; Q54-A56 PolarHBondContact O-N 2.81Å
57G85.4Confident88.3Confident20 Ų2059.1 Ų59.121%0.20635%0.349CS..EExtended strand (participates in β ladder)trans116.5-158.2-179.400000113S49 F55S49-G57 PolarHBondContact N-O 3.47Å; F55-G57 WeakPolarHBondContact CE2-O 3.48Å; F55-G57 WeakPolarHBondContact CZ-O 3.22Å
58Y85.8Confident88.6Confident51 Ų5158.7 Ų58.720%0.235%0.347CS..EExtended strand (participates in β ladder)trans-122.6141.6-179.9-68-78.9000111.3E47 A48 F55 Y60 C128E47-Y58 CarbonylContact O-C 3.57Å; E47-Y58 VanDerWaalsContact O-CA 3.29Å; E47-Y58 WeakPolarHBondContact O-CA 3.3Å; A48-Y58 HydrophobicContact CB-CD1 4.23Å; A48-Y58 HydrophobicContact CB-CE1 4Å; F55-Y58 HydrophobicContact CE2-CD2 4.37Å; F55-Y58 HydrophobicContact CE2-CE1 4.16Å; F55-Y58 HydrophobicContact CE2-CE2 4.02Å; F55-Y58 AromaticContact CE2-CZ 3.89Å; F55-Y58 AromaticContact CZ-CD2 3.79Å; F55-Y58 HydrophobicContact CZ-CD2 3.79Å; F55-Y58 HydrophobicContact CZ-CE1 4.42Å; F55-Y58 AromaticContact CZ-CE2 3.45Å; F55-Y58 HydrophobicContact CZ-CE2 3.45Å; F55-Y58 VanDerWaalsContact CZ-CE2 3.45Å; F55-Y58 HydrophobicContact CZ-CG 4.39Å; F55-Y58 AromaticContact CZ-CZ 3.79Å; Y58-Y60 WeakPolarHBondContact O-CE2 3.32Å; Y58-C128 PolarHBondContact OH-O 3.3Å
59N86.5Confident88.9Confident29 Ų2957.4 Ų57.416%0.15534%0.336CS..EExtended strand (participates in β ladder)trans-96.8137.5164.7-67.8-51.4000109.2F3 C46 E47F3-N59 HydrophobicContact CD2-CB 3.54Å; F3-N59 VanDerWaalsContact CD2-CG 3.47Å; F3-N59 HydrophobicContact CE2-CB 3.72Å; F3-N59 HydrophobicContact CG-CB 4.48Å; C46-N59 WeakPolarHBondContact CA-O 3.34Å; E47-N59 PolarHBondContact N-O 2.71Å; E47-N59 PolarHBondContact O-N 2.99Å
60Y88.8Confident89.2Confident38 Ų3861.1 Ų61.115%0.14935%0.349CS..EExtended strand (participates in β ladder)trans-119.7126.7-175.4-61.6-88.4000110.4C24 I44 I45 C46 Y58C24-Y60 WeakPolarHBondContact O-CD2 3.37Å; I44-Y60 HydrophobicContact CD1-CD1 4.02Å; I44-Y60 HydrophobicContact CG1-CD1 4.47Å; I45-Y60 WeakPolarHBondContact O-CA 3.47Å; C46-Y60 HydrophobicContact CB-CD1 4.13Å; C46-Y60 HydrophobicContact CB-CE1 4.09Å; C46-Y60 WeakPolarHBondContact SG-CD1 3.28Å; C46-Y60 VanDerWaalsContact SG-CE1 3.51Å; Y58-Y60 WeakPolarHBondContact O-CE2 3.32Å
61I90.4Very high89.4Confident20 Ų2061.8 Ų61.810%0.10335%0.351CS..EExtended strand (participates in β ladder)trans-119.6130174-52.2170.5000107.4F3 Y14 I44 I45 I68F3-I61 HydrophobicContact CE1-CD1 3.76Å; F3-I61 HydrophobicContact CE1-CG1 3.77Å; F3-I61 HydrophobicContact CE2-CD1 4.46Å; F3-I61 HydrophobicContact CZ-CD1 3.43Å; F3-I61 VanDerWaalsContact CZ-CD1 3.43Å; F3-I61 HydrophobicContact CZ-CG1 3.76Å; Y14-I61 HydrophobicContact CD1-CD1 3.97Å; Y14-I61 HydrophobicContact CD2-CD1 3.94Å; Y14-I61 HydrophobicContact CE1-CD1 3.51Å; Y14-I61 HydrophobicContact CE2-CD1 3.49Å; Y14-I61 VanDerWaalsContact CE2-CD1 3.49Å; Y14-I61 HydrophobicContact CG-CD1 4.17Å; I44-I61 CarbonylContact C-O 3.58Å; I44-I61 WeakPolarHBondContact CA-O 3.31Å; I45-I61 HydrophobicContact CB-CB 4.32Å; I45-I61 PolarHBondContact N-O 3.32Å; I45-I61 PolarHBondContact O-N 3.04Å; I61-I68 HydrophobicContact CG2-CG2 3.86Å
62R90.4Very high89.7Confident48 Ų4857.5 Ų57.518%0.18134%0.335CS..EExtended strand (participates in β ladder)trans-136.5147.3-17651.5178.1-76.6176.84.1110.6A43 S120A43-R62 WeakPolarHBondContact O-CA 3.41Å; R62-S120 PolarHBondContact NH2-OG 2.92Å; R62-S120 VanDerWaalsContact NH2-OG 3.11Å
63G92.8Very high89.9Confident13 Ų1354 Ų5413%0.13430%0.296CS..EExtended strand (participates in β ladder)trans165-164.217700000112.4A43A43-G63 PolarHBondContact N-O 3.34Å; A43-G63 PolarHBondContact O-N 2.96Å; A43-G63 VanDerWaalsContact O-N 3.17Å
64C93.6Very high90.1Very high8 Ų853.5 Ų53.55%0.05428%0.277CS..EExtended strand (participates in β ladder)trans-76.7136171.8-41.90000109.1C38 G66 K67 I68C38-C64 WeakPolarHBondContact CA-SG 3.45Å; C38-C64 HydrophobicContact CB-CB 3.75Å; C38-C64 WeakPolarHBondContact CB-SG 3.32Å; C38-C64 WeakPolarHBondContact SG-CA 3.29Å; C38-C64 WeakPolarHBondContact SG-CB 3.45Å; C38-C64 CovalentContact SG-SG 2.03Å; C38-C64 PolarHBondContact SG-SG 2.86Å; C64-G66 PolarHBondContact O-N 3.48Å; C64-G66 VanDerWaalsContact O-N 3.11Å; C64-K67 PolarHBondContact O-N 2.99Å; C64-I68 PolarHBondContact O-N 3.16Å
65I91.8Very high90.2Very high22 Ų2251.3 Ų51.311%0.11327%0.27CS..G310 helixtrans-56.9-34.7-174.8-161.6151.1000113.1A41 A43 K67 F73 I78 I112A41-I65 HydrophobicContact CB-CG2 4.19Å; A41-I65 PolarHBondContact O-N 3.47Å; A43-I65 HydrophobicContact CB-CB 4.42Å; A43-I65 HydrophobicContact CB-CD1 4.33Å; A43-I65 HydrophobicContact CB-CG1 4.44Å; I65-K67 VanDerWaalsContact C-N 3.26Å; I65-K67 PolarHBondContact O-N 3.48Å; I65-F73 HydrophobicContact CD1-CD2 4.49Å; I65-F73 HydrophobicContact CG1-CD2 3.63Å; I65-F73 HydrophobicContact CG1-CE2 3.73Å; I65-F73 WeakPolarHBondContact O-CD2 3.09Å; I65-F73 WeakPolarHBondContact O-CE2 3.31Å; I65-I78 HydrophobicContact CD1-CD1 3.96Å; I65-I78 HydrophobicContact CD1-CG1 4.23Å; I65-I78 HydrophobicContact CD1-CG2 3.53Å; I65-I78 HydrophobicContact CG1-CG2 4.34Å; I65-I112 HydrophobicContact CD1-CD1 3.55Å; I65-I112 HydrophobicContact CD1-CG1 3.86Å; I65-I112 HydrophobicContact CD1-CG2 4.29Å
66G90.5Very high90.5Very high57 Ų5751 Ų5159%0.58827%0.273SS*.G310 helixtrans-74.4-5.3176.600000115.8C64C64-G66 PolarHBondContact O-N 3.48Å; C64-G66 VanDerWaalsContact O-N 3.11Å
67K92.6Very high90.7Very high158 Ų15849.7 Ų49.769%0.68726%0.259SS*.G310 helixtrans-129.413-175.2-67.3-151.4177.5-169.60114.6Y15 C64 I65Y15-K67 VanDerWaalsContact CD2-O 3.31Å; Y15-K67 WeakPolarHBondContact CD2-O 3.33Å; C64-K67 PolarHBondContact O-N 2.99Å; I65-K67 VanDerWaalsContact C-N 3.26Å; I65-K67 PolarHBondContact O-N 3.48Å
68I93Very high90.9Very high7 Ų750.1 Ų50.14%0.03626%0.256CS..THydrogen-bonded Turntrans-87.2-57.2174.9-68.7165.5000110.5Y14 Y15 A43 I45 I61 C64 F73Y14-I68 WeakPolarHBondContact CA-O 3.41Å; Y14-I68 HydrophobicContact CD1-CG2 3.9Å; Y14-I68 HydrophobicContact CE1-CG2 4.1Å; Y15-I68 PolarHBondContact N-O 3.45Å; A43-I68 HydrophobicContact CB-CD1 3.83Å; I45-I68 HydrophobicContact CD1-CG2 3.82Å; I61-I68 HydrophobicContact CG2-CG2 3.86Å; C64-I68 PolarHBondContact O-N 3.16Å; I68-F73 HydrophobicContact CB-CE2 4.11Å; I68-F73 HydrophobicContact CB-CZ 3.91Å; I68-F73 HydrophobicContact CG2-CZ 3.84Å
69A92.6Very high91.1Very high5 Ų555.8 Ų55.84%0.04128%0.279CS..BIsolated β-bridgetrans-96.3134-176.500000111.8I13 G72 F73 F98I13-A69 CarbonylContact O-C 3.18Å; I13-A69 WeakPolarHBondContact O-CA 3.49Å; A69-G72 PolarHBondContact O-N 3.01Å; A69-F73 HydrophobicContact CB-CD1 4.34Å; A69-F73 HydrophobicContact CB-CE1 4.02Å; A69-F73 HydrophobicContact CB-CE2 4.39Å; A69-F73 HydrophobicContact CB-CZ 4.01Å; A69-F98 HydrophobicContact CB-CD1 3.75Å; A69-F98 HydrophobicContact CB-CE1 3.85Å
70R91.6Very high91.1Very high89 Ų8960.6 Ų60.634%0.33630%0.298SS..THydrogen-bonded Turntrans-62.9-48179.9-72.1-173.7-176.2177.1-1.4112.6D12 I13 Y14 Y15 G72D12-R70 WeakPolarHBondContact O-CD 3.38Å; D12-R70 IonicContact OD1-NH1 2.73Å; I13-R70 PolarHBondContact O-N 3.24Å; Y14-R70 PolarHBondContact O-NE 3.42Å; Y14-R70 PolarHBondContact O-NH2 3.14Å; Y15-R70 HydrophobicContact CD1-CG 4.25Å; Y15-R70 HydrophobicContact CD2-CG 4.24Å; Y15-R70 HydrophobicContact CE1-CG 4.2Å; Y15-R70 HydrophobicContact CE2-CB 4.47Å; Y15-R70 HydrophobicContact CE2-CG 4.2Å; Y15-R70 HydrophobicContact CG-CG 4.27Å; R70-G72 PolarHBondContact O-N 3.44Å
71Y91.3Very high91Very high149 Ų14959.3 Ų59.358%0.58429%0.294SS*.THydrogen-bonded Turntrans-84.21.1177.1-57.4-69000113.2D12 R99D12-Y71 WeakPolarHBondContact O-CE2 3.36Å; Y71-R99 WeakPolarHBondContact O-CD 3.04Å
72G91.7Very high90.7Very high24 Ų2458.8 Ų58.825%0.24729%0.294CS..  trans74174.3-176.900000113.8A69 R70 R99A69-G72 PolarHBondContact O-N 3.01Å; R70-G72 PolarHBondContact O-N 3.44Å; G72-R99 PolarHBondContact O-N 3.23Å; G72-R99 VanDerWaalsContact O-N 3.11Å
73F92.2Very high90.2Very high12 Ų1259.4 Ų59.45%0.05331%0.309CS..BIsolated β-bridgetrans-91.9161.8176-62.2-66.6000111.7I45 I65 I68 A69 N75 I78 L97 F98 R99I45-F73 HydrophobicContact CD1-CE1 3.85Å; I45-F73 HydrophobicContact CD1-CZ 3.72Å; I65-F73 HydrophobicContact CD1-CD2 4.49Å; I65-F73 HydrophobicContact CG1-CD2 3.63Å; I65-F73 HydrophobicContact CG1-CE2 3.73Å; I65-F73 WeakPolarHBondContact O-CD2 3.09Å; I65-F73 WeakPolarHBondContact O-CE2 3.31Å; I68-F73 HydrophobicContact CB-CE2 4.11Å; I68-F73 HydrophobicContact CB-CZ 3.91Å; I68-F73 HydrophobicContact CG2-CZ 3.84Å; A69-F73 HydrophobicContact CB-CD1 4.34Å; A69-F73 HydrophobicContact CB-CE1 4.02Å; A69-F73 HydrophobicContact CB-CE2 4.39Å; A69-F73 HydrophobicContact CB-CZ 4.01Å; F73-N75 PolarHBondContact O-N 2.93Å; F73-N75 VanDerWaalsContact O-N 3.16Å; F73-I78 HydrophobicContact CB-CD1 3.78Å; F73-I78 HydrophobicContact CB-CG1 3.3Å; F73-I78 HydrophobicContact CD2-CD1 4.31Å; F73-I78 HydrophobicContact CD2-CG1 4.3Å; F73-I78 HydrophobicContact CG-CD1 3.97Å; F73-I78 HydrophobicContact CG-CG1 3.97Å; F73-L97 CarbonylContact C-O 3.49Å; F73-L97 VanDerWaalsContact CA-O 3.25Å; F73-L97 WeakPolarHBondContact CA-O 3.38Å; F73-L97 WeakPolarHBondContact CB-O 3.29Å; F73-L97 HydrophobicContact CD1-CD1 3.71Å; F73-L97 HydrophobicContact CD1-CD2 4.47Å; F73-L97 HydrophobicContact CD1-CG 3.73Å; F73-L97 HydrophobicContact CE1-CD1 4.22Å; F73-L97 HydrophobicContact CE1-CD2 4.28Å; F73-L97 HydrophobicContact CE1-CG 4.03Å; F73-L97 HydrophobicContact CG-CD1 4.37Å; F73-F98 HydrophobicContact CD1-CD1 4.05Å; F73-F98 HydrophobicContact CD1-CE1 4.14Å; F73-F98 AromaticContact CE1-CD1 3.83Å; F73-F98 HydrophobicContact CE1-CD1 3.83Å; F73-F98 AromaticContact CE1-CE1 3.45Å; F73-F98 HydrophobicContact CE1-CE1 3.45Å; F73-F98 VanDerWaalsContact CE1-CE1 3.45Å; F73-F98 AromaticContact CE1-CZ 3.94Å; F73-F98 HydrophobicContact CE1-CZ 3.94Å; F73-F98 HydrophobicContact CZ-CE1 4.29Å; F73-R99 WeakPolarHBondContact O-CD 3.39Å; F73-R99 PolarHBondContact O-NE 3.47Å
74N92Very high89.3Confident58 Ų5862.2 Ų62.231%0.3132%0.318SS..  trans-64.5115.5170.1-172.5-46.4000109.6L76 T77 I78 Q96 L97N74-L76 VanDerWaalsContact C-N 3.27Å; N74-L76 PolarHBondContact O-N 3.44Å; N74-L76 WeakPolarHBondContact OD1-CB 3.41Å; N74-L76 PolarHBondContact OD1-N 3.42Å; N74-T77 WeakPolarHBondContact O-CB 3.46Å; N74-T77 PolarHBondContact O-N 3.26Å; N74-T77 VanDerWaalsContact O-N 3.15Å; N74-T77 PolarHBondContact OD1-N 2.64Å; N74-I78 PolarHBondContact O-N 3.39Å; N74-Q96 WeakPolarHBondContact CB-O 2.96Å; N74-L97 PolarHBondContact N-O 2.87Å
75N90.5Very high88.2Confident108 Ų10872.3 Ų72.358%0.57836%0.355SS*.Hα-helixtrans-57.3-39.4-176.2-81.24.3000112.5F73 Y79 R99F73-N75 PolarHBondContact O-N 2.93Å; F73-N75 VanDerWaalsContact O-N 3.16Å; N75-Y79 WeakPolarHBondContact O-CB 3.14Å; N75-Y79 PolarHBondContact O-N 2.98Å; N75-R99 PolarHBondContact ND2-NH2 3.43Å; N75-R99 PolarHBondContact OD1-NH2 3.36Å
76L90.4Very high87.1Confident102 Ų10280.1 Ų80.153%0.53438%0.383SS..Hα-helixtrans-66.2-43.6-179.5-177.164.8000110.7N74 K80N74-L76 VanDerWaalsContact C-N 3.27Å; N74-L76 PolarHBondContact O-N 3.44Å; N74-L76 WeakPolarHBondContact OD1-CB 3.41Å; N74-L76 PolarHBondContact OD1-N 3.42Å; L76-K80 HydrophobicContact CG-CD 4.46Å; L76-K80 WeakPolarHBondContact O-CG 3.41Å; L76-K80 PolarHBondContact O-N 3.11Å
77T90.3Very high86.2Confident25 Ų2579.7 Ų79.715%0.15337%0.374CS..Hα-helixtrans-61.2-52.2177.4-55.10000110.7N74 Y79 K80 M81 V92 Q96 L97N74-T77 WeakPolarHBondContact O-CB 3.46Å; N74-T77 PolarHBondContact O-N 3.26Å; N74-T77 VanDerWaalsContact O-N 3.15Å; N74-T77 PolarHBondContact OD1-N 2.64Å; T77-Y79 PolarHBondContact O-N 3.3Å; T77-K80 PolarHBondContact O-N 2.91Å; T77-M81 HydrophobicContact CG2-CE 3.32Å; T77-M81 HydrophobicContact CG2-SD 4.08Å; T77-M81 VanDerWaalsContact O-CG 3.27Å; T77-M81 WeakPolarHBondContact O-CG 3.28Å; T77-M81 PolarHBondContact O-N 2.89Å; T77-M81 VanDerWaalsContact O-N 3.11Å; T77-V92 HydrophobicContact CG2-CG1 4.44Å; T77-Q96 PolarHBondContact OG1-O 2.72Å; T77-L97 HydrophobicContact CG2-CD1 4.41Å
78I90.3Very high85.4Confident29 Ų2975.7 Ų75.715%0.14936%0.36CS..Hα-helixtrans-64.6-39.9179.3-64.8-45.1000112.3I65 F73 N74 M81 G82 L97 I110 I112I65-I78 HydrophobicContact CD1-CD1 3.96Å; I65-I78 HydrophobicContact CD1-CG1 4.23Å; I65-I78 HydrophobicContact CD1-CG2 3.53Å; I65-I78 HydrophobicContact CG1-CG2 4.34Å; F73-I78 HydrophobicContact CB-CD1 3.78Å; F73-I78 HydrophobicContact CB-CG1 3.3Å; F73-I78 HydrophobicContact CD2-CD1 4.31Å; F73-I78 HydrophobicContact CD2-CG1 4.3Å; F73-I78 HydrophobicContact CG-CD1 3.97Å; F73-I78 HydrophobicContact CG-CG1 3.97Å; N74-I78 PolarHBondContact O-N 3.39Å; I78-M81 HydrophobicContact CD1-SD 4.18Å; I78-M81 PolarHBondContact O-N 2.78Å; I78-G82 PolarHBondContact O-N 2.88Å; I78-L97 HydrophobicContact CD1-CD1 3.72Å; I78-I110 HydrophobicContact CD1-CD1 4.07Å; I78-I112 HydrophobicContact CD1-CD1 4.02Å; I78-I112 HydrophobicContact CG2-CD1 3.99Å
79Y88.9Confident85.2Confident170 Ų17076.7 Ų76.767%0.66737%0.367SS*.Hα-helixtrans-60.8-47.2177.9175-97.7000111.2N75 T77 M81 G82 A83N75-Y79 WeakPolarHBondContact O-CB 3.14Å; N75-Y79 PolarHBondContact O-N 2.98Å; T77-Y79 PolarHBondContact O-N 3.3Å; Y79-M81 PolarHBondContact O-N 2.88Å; Y79-G82 PolarHBondContact O-N 3.06Å; Y79-A83 VanDerWaalsContact O-CB 3.27Å; Y79-A83 WeakPolarHBondContact O-CB 3.38Å; Y79-A83 PolarHBondContact O-N 2.81Å
80K88Confident85Confident130 Ų13078.9 Ų78.957%0.56538%0.376SS*.Hα-helixtrans-59.7-46.7177.2-74177.8178.8-176.30111.6L76 T77 A83L76-K80 HydrophobicContact CG-CD 4.46Å; L76-K80 WeakPolarHBondContact O-CG 3.41Å; L76-K80 PolarHBondContact O-N 3.11Å; T77-K80 PolarHBondContact O-N 2.91Å; K80-A83 PolarHBondContact O-N 2.78Å
81M86.9Confident84.9Confident11 Ų1181.6 Ų81.65%0.05439%0.387CS..Hα-helixtrans-64.1-42.2178.2-66.3169.8179.600112.4T77 I78 Y79 H90 V92 I110 I112T77-M81 HydrophobicContact CG2-CE 3.32Å; T77-M81 HydrophobicContact CG2-SD 4.08Å; T77-M81 VanDerWaalsContact O-CG 3.27Å; T77-M81 WeakPolarHBondContact O-CG 3.28Å; T77-M81 PolarHBondContact O-N 2.89Å; T77-M81 VanDerWaalsContact O-N 3.11Å; I78-M81 HydrophobicContact CD1-SD 4.18Å; I78-M81 PolarHBondContact O-N 2.78Å; Y79-M81 PolarHBondContact O-N 2.88Å; M81-H90 HydrophobicContact CE-CB 3.63Å; M81-H90 HydrophobicContact CG-CB 4.18Å; M81-H90 HydrophobicContact SD-CB 4.28Å; M81-V92 HydrophobicContact CE-CB 4.21Å; M81-V92 HydrophobicContact CE-CG1 3.28Å; M81-V92 HydrophobicContact CE-CG2 3.93Å; M81-I110 HydrophobicContact CE-CG2 3.57Å; M81-I110 HydrophobicContact SD-CG2 3.57Å; M81-I110 VanDerWaalsContact SD-CG2 3.57Å; M81-I112 HydrophobicContact CB-CD1 3.58Å; M81-I112 HydrophobicContact CB-CG1 4.42Å; M81-I112 HydrophobicContact SD-CD1 4.17Å
82G83.3Confident84.9Confident10 Ų1075.2 Ų75.210%0.10336%0.363CS..Hα-helixtrans-72.5-28.9-179.800000113.7I78 Y79 E84 R85I78-G82 PolarHBondContact O-N 2.88Å; Y79-G82 PolarHBondContact O-N 3.06Å; G82-E84 PolarHBondContact O-N 2.75Å; G82-R85 PolarHBondContact O-N 3.42Å; G82-R85 VanDerWaalsContact O-N 3.08Å
83A79.5Confident84.8Confident60 Ų6074.7 Ų74.750%0.49636%0.356SS..Hα-helixtrans-62.4-24.9179.900000113Y79 K80 R85Y79-A83 VanDerWaalsContact O-CB 3.27Å; Y79-A83 WeakPolarHBondContact O-CB 3.38Å; Y79-A83 PolarHBondContact O-N 2.81Å; K80-A83 PolarHBondContact O-N 2.78Å; A83-R85 PolarHBondContact O-N 2.6Å
84E73.9Confident84.8Confident72 Ų7275.9 Ų75.934%0.33636%0.36SS..THydrogen-bonded Turntrans-65-18176.7-66.6173.2-162.500112.7G82 R86 I88 H90G82-E84 PolarHBondContact O-N 2.75Å; E84-R86 WeakPolarHBondContact O-CG 3.06Å; E84-R86 PolarHBondContact O-N 2.63Å; E84-I88 HydrophobicContact CB-CD1 4.4Å; E84-I88 VanDerWaalsContact OE2-CB 3.25Å; E84-I88 WeakPolarHBondContact OE2-CB 3.25Å; E84-I88 VanDerWaalsContact OE2-CD1 3.28Å; E84-I88 WeakPolarHBondContact OE2-CD1 3.36Å; E84-I88 WeakPolarHBondContact OE2-CG2 3.47Å; E84-H90 VanDerWaalsContact CD-NE2 3.31Å; E84-H90 IonicContact OE1-CE1 3.52Å; E84-H90 PolarHBondContact OE1-CE1 3.38Å; E84-H90 IonicContact OE1-NE2 3.81Å; E84-H90 PolarHBondContact OE1-NE2 2.83Å; E84-H90 IonicContact OE2-CE1 3.92Å; E84-H90 IonicContact OE2-NE2 2.72Å; E84-H90 PolarHBondContact OE2-NE2 2.92Å
85R70.2Confident84.6Confident220 Ų22075 Ų7583%0.8336%0.359SS*.  trans46.324.3-178.1-62.4-163.7-173-155.24.2114.3G82 A83G82-R85 PolarHBondContact O-N 3.42Å; G82-R85 VanDerWaalsContact O-N 3.08Å; A83-R85 PolarHBondContact O-N 2.6Å
86R69.8Low84.6Confident187 Ų18775.1 Ų75.171%0.70636%0.356SS*.SBendtrans-129.3151.9178.7-70.8176.2-178.5159.81107.4E84 I88E84-R86 WeakPolarHBondContact O-CG 3.06Å; E84-R86 PolarHBondContact O-N 2.63Å; R86-I88 HydrophobicContact CB-CD1 3.93Å; R86-I88 HydrophobicContact CB-CG1 3.91Å; R86-I88 PolarHBondContact O-N 3.01Å
87A70.4Confident84.7Confident48 Ų4870.3 Ų70.340%0.39733%0.331SS..  trans-74.262.7177.700000110.8C113A87-C113 HydrophobicContact CB-CB 4.13Å
88I77.7Confident84.7Confident73 Ų7369.4 Ų69.437%0.37433%0.325SS..  trans-95.5137.2178.5-63.2173.1000108.3E84 R86E84-I88 HydrophobicContact CB-CD1 4.4Å; E84-I88 VanDerWaalsContact OE2-CB 3.25Å; E84-I88 WeakPolarHBondContact OE2-CB 3.25Å; E84-I88 VanDerWaalsContact OE2-CD1 3.28Å; E84-I88 WeakPolarHBondContact OE2-CD1 3.36Å; E84-I88 WeakPolarHBondContact OE2-CG2 3.47Å; R86-I88 HydrophobicContact CB-CD1 3.93Å; R86-I88 HydrophobicContact CB-CG1 3.91Å; R86-I88 PolarHBondContact O-N 3.01Å
89C87.4Confident84.6Confident28 Ų2873.2 Ų73.219%0.18934%0.337CS..EExtended strand (participates in β ladder)trans-99.9137.5179.5-61.20000110.6T109 I110 C111 A124C89-T109 HydrophobicContact CB-CG2 3.99Å; C89-I110 CarbonylContact C-O 3.6Å; C89-I110 WeakPolarHBondContact CA-O 2.94Å; C89-C111 VanDerWaalsContact CA-SG 3.59Å; C89-C111 HydrophobicContact CB-CB 4.01Å; C89-C111 WeakPolarHBondContact CB-SG 3.32Å; C89-C111 WeakPolarHBondContact SG-CB 3.4Å; C89-C111 CovalentContact SG-SG 2.02Å; C89-C111 PolarHBondContact SG-SG 2.86Å; C89-A124 VanDerWaalsContact SG-C 3.52Å; C89-A124 VanDerWaalsContact SG-CA 3.51Å; C89-A124 PolarHBondContact SG-O 2.9Å
90H88.6Confident84Confident51 Ų5169 Ų6924%0.23635%0.345CS..EExtended strand (participates in β ladder)trans-119129.7-179.1-71.3-85.4000109.2M81 E84 V92 T109 I110M81-H90 HydrophobicContact CE-CB 3.63Å; M81-H90 HydrophobicContact CG-CB 4.18Å; M81-H90 HydrophobicContact SD-CB 4.28Å; E84-H90 VanDerWaalsContact CD-NE2 3.31Å; E84-H90 IonicContact OE1-CE1 3.52Å; E84-H90 PolarHBondContact OE1-CE1 3.38Å; E84-H90 IonicContact OE1-NE2 3.81Å; E84-H90 PolarHBondContact OE1-NE2 2.83Å; E84-H90 IonicContact OE2-CE1 3.92Å; E84-H90 IonicContact OE2-NE2 2.72Å; E84-H90 PolarHBondContact OE2-NE2 2.92Å; H90-V92 HydrophobicContact CB-CG1 4.33Å; H90-T109 WeakPolarHBondContact O-CA 3.4Å; H90-I110 PolarHBondContact N-O 2.85Å; H90-I110 PolarHBondContact O-N 2.9Å
91R90.1Very high83.2Confident147 Ų14765.4 Ų65.456%0.55533%0.33SS*.EExtended strand (participates in β ladder)trans-86.9120.2166.1-101.8-177.4135.7174.7-5.2108V108 T109R91-V108 WeakPolarHBondContact CA-O 3.37Å; R91-T109 VanDerWaalsContact CG-OG1 3.29Å; R91-T109 WeakPolarHBondContact CG-OG1 3.48Å
92V90Very high81.7Confident15 Ų1568.4 Ų68.49%0.09136%0.357CS..EExtended strand (participates in β ladder)trans-134.7149-175.7-730000110.3T77 M81 H90 L97 Q107 V108 I110T77-V92 HydrophobicContact CG2-CG1 4.44Å; M81-V92 HydrophobicContact CE-CB 4.21Å; M81-V92 HydrophobicContact CE-CG1 3.28Å; M81-V92 HydrophobicContact CE-CG2 3.93Å; H90-V92 HydrophobicContact CB-CG1 4.33Å; V92-L97 HydrophobicContact CG2-CB 3.85Å; V92-L97 HydrophobicContact CG2-CD1 4.37Å; V92-L97 HydrophobicContact CG2-CD2 4.11Å; V92-L97 HydrophobicContact CG2-CG 4.32Å; V92-Q107 WeakPolarHBondContact O-CA 3.36Å; V92-V108 HydrophobicContact CG2-CG2 4.13Å; V92-V108 PolarHBondContact N-O 3.36Å; V92-V108 PolarHBondContact O-N 2.79Å; V92-I110 HydrophobicContact CG2-CG2 4Å
93A90.8Very high80.6Confident13 Ų1378.4 Ų78.411%0.10739%0.393CS..EExtended strand (participates in β ladder)trans-61.3138.5169.300000109.3S95 Q96 L97A93-S95 PolarHBondContact O-N 3.33Å; A93-Q96 HydrophobicContact CB-CB 4.37Å; A93-Q96 HydrophobicContact CB-CG 4.08Å; A93-Q96 WeakPolarHBondContact O-CB 3.42Å; A93-Q96 PolarHBondContact O-N 2.94Å; A93-L97 PolarHBondContact O-N 3.19Å; A93-L97 VanDerWaalsContact O-N 3.15Å
94R91Very high80Confident36 Ų3680.6 Ų80.614%0.13640%0.395CS..Hα-helixtrans-56-39.9-179.8-174.4173-80.1123.60.9111.4E47 Q96 L97 F98 M104 D106 V108E47-R94 VanDerWaalsContact CD-NH2 3.3Å; E47-R94 IonicContact OE1-CZ 3.42Å; E47-R94 IonicContact OE1-NE 3.53Å; E47-R94 IonicContact OE1-NH2 2.6Å; E47-R94 PolarHBondContact OE1-NH2 2.95Å; E47-R94 IonicContact OE2-NH2 3.3Å; R94-Q96 VanDerWaalsContact C-N 3.26Å; R94-Q96 PolarHBondContact O-N 3.24Å; R94-L97 PolarHBondContact O-N 2.84Å; R94-L97 VanDerWaalsContact O-N 3.12Å; R94-F98 HydrophobicContact CG-CD2 3.53Å; R94-F98 HydrophobicContact CG-CE2 3.85Å; R94-F98 WeakPolarHBondContact O-CD2 3.29Å; R94-F98 PolarHBondContact O-N 3.2Å; R94-M104 HydrophobicContact CB-CB 4.25Å; R94-M104 HydrophobicContact CG-CB 4.5Å; R94-D106 IonicContact CZ-OD1 3.64Å; R94-D106 IonicContact CZ-OD2 2.63Å; R94-D106 VanDerWaalsContact CZ-OD2 3.3Å; R94-D106 PolarHBondContact N-O 3.21Å; R94-D106 IonicContact NH1-OD1 3.03Å; R94-D106 PolarHBondContact NH1-OD1 3.11Å; R94-D106 IonicContact NH1-OD2 3.01Å; R94-D106 PolarHBondContact NH1-OD2 3.01Å; R94-D106 IonicContact NH2-OD2 3Å; R94-D106 PolarHBondContact NH2-OD2 3.35Å; R94-V108 VanDerWaalsContact NH2-CG1 3.29Å
95S89Confident79.9Confident41 Ų4185.8 Ų85.829%0.28742%0.419SS..Hα-helixtrans-61.1-27.3175.160.40000114.9A93 H101 M104A93-S95 PolarHBondContact O-N 3.33Å; S95-H101 VanDerWaalsContact CA-O 3.28Å; S95-H101 WeakPolarHBondContact CA-O 3.4Å; S95-H101 WeakPolarHBondContact CB-O 3.25Å; S95-M104 PolarHBondContact N-O 2.98Å
96Q90.5Very high80.7Confident110 Ų11078.7 Ų78.751%0.51440%0.398SS..Hα-helixtrans-86.1-23.2176.1-67.4177.4-18.100112.6N74 T77 A93 R94N74-Q96 WeakPolarHBondContact CB-O 2.96Å; T77-Q96 PolarHBondContact OG1-O 2.72Å; A93-Q96 HydrophobicContact CB-CB 4.37Å; A93-Q96 HydrophobicContact CB-CG 4.08Å; A93-Q96 WeakPolarHBondContact O-CB 3.42Å; A93-Q96 PolarHBondContact O-N 2.94Å; R94-Q96 VanDerWaalsContact C-N 3.26Å; R94-Q96 PolarHBondContact O-N 3.24Å
97L91.8Very high81.6Confident0 Ų074.3 Ų74.30%039%0.385CS..Hα-helixtrans-85.4-50.9-179.5-177.957.1000112F73 N74 T77 I78 V92 A93 R94 V108 I110F73-L97 CarbonylContact C-O 3.49Å; F73-L97 VanDerWaalsContact CA-O 3.25Å; F73-L97 WeakPolarHBondContact CA-O 3.38Å; F73-L97 WeakPolarHBondContact CB-O 3.29Å; F73-L97 HydrophobicContact CD1-CD1 3.71Å; F73-L97 HydrophobicContact CD1-CD2 4.47Å; F73-L97 HydrophobicContact CD1-CG 3.73Å; F73-L97 HydrophobicContact CE1-CD1 4.22Å; F73-L97 HydrophobicContact CE1-CD2 4.28Å; F73-L97 HydrophobicContact CE1-CG 4.03Å; F73-L97 HydrophobicContact CG-CD1 4.37Å; N74-L97 PolarHBondContact N-O 2.87Å; T77-L97 HydrophobicContact CG2-CD1 4.41Å; I78-L97 HydrophobicContact CD1-CD1 3.72Å; V92-L97 HydrophobicContact CG2-CB 3.85Å; V92-L97 HydrophobicContact CG2-CD1 4.37Å; V92-L97 HydrophobicContact CG2-CD2 4.11Å; V92-L97 HydrophobicContact CG2-CG 4.32Å; A93-L97 PolarHBondContact O-N 3.19Å; A93-L97 VanDerWaalsContact O-N 3.15Å; R94-L97 PolarHBondContact O-N 2.84Å; R94-L97 VanDerWaalsContact O-N 3.12Å; L97-V108 HydrophobicContact CB-CG2 4.39Å; L97-V108 HydrophobicContact CD2-CG2 3.53Å; L97-I110 HydrophobicContact CD1-CD1 3.82Å; L97-I110 HydrophobicContact CD1-CG2 4.06Å; L97-I110 HydrophobicContact CD2-CB 4.14Å; L97-I110 HydrophobicContact CD2-CD1 4.16Å; L97-I110 HydrophobicContact CD2-CG2 4.15Å
98F90.7Very high82.6Confident6 Ų672 Ų723%0.02637%0.366CS..BIsolated β-bridgetrans-95.2141-174.7-63.8-88.8000111.7I13 Y14 I45 A69 F73 R94 H101I13-F98 HydrophobicContact CG2-CD1 4.15Å; I13-F98 HydrophobicContact CG2-CE1 4.09Å; Y14-F98 HydrophobicContact CD1-CE1 4.44Å; Y14-F98 AromaticContact CE1-CE1 3.6Å; Y14-F98 HydrophobicContact CE1-CE1 3.6Å; Y14-F98 AromaticContact CE1-CZ 3.66Å; Y14-F98 HydrophobicContact CE1-CZ 3.66Å; Y14-F98 AromaticContact CZ-CZ 3.86Å; Y14-F98 VanDerWaalsContact OH-CZ 3.29Å; Y14-F98 WeakPolarHBondContact OH-CZ 3.37Å; I45-F98 HydrophobicContact CD1-CE1 4.49Å; I45-F98 HydrophobicContact CD1-CZ 4Å; A69-F98 HydrophobicContact CB-CD1 3.75Å; A69-F98 HydrophobicContact CB-CE1 3.85Å; F73-F98 HydrophobicContact CD1-CD1 4.05Å; F73-F98 HydrophobicContact CD1-CE1 4.14Å; F73-F98 AromaticContact CE1-CD1 3.83Å; F73-F98 HydrophobicContact CE1-CD1 3.83Å; F73-F98 AromaticContact CE1-CE1 3.45Å; F73-F98 HydrophobicContact CE1-CE1 3.45Å; F73-F98 VanDerWaalsContact CE1-CE1 3.45Å; F73-F98 AromaticContact CE1-CZ 3.94Å; F73-F98 HydrophobicContact CE1-CZ 3.94Å; F73-F98 HydrophobicContact CZ-CE1 4.29Å; R94-F98 HydrophobicContact CG-CD2 3.53Å; R94-F98 HydrophobicContact CG-CE2 3.85Å; R94-F98 WeakPolarHBondContact O-CD2 3.29Å; R94-F98 PolarHBondContact O-N 3.2Å; F98-H101 HydrophobicContact CB-CB 4.33Å
99R88.1Confident83.2Confident110 Ų11068.8 Ų68.842%0.41535%0.35SS..THydrogen-bonded Turntrans-74.3139.4170.5-70.5176.5172.9-179.6-6.4110.3Y71 G72 F73 N75 H101Y71-R99 WeakPolarHBondContact O-CD 3.04Å; G72-R99 PolarHBondContact O-N 3.23Å; G72-R99 VanDerWaalsContact O-N 3.11Å; F73-R99 WeakPolarHBondContact O-CD 3.39Å; F73-R99 PolarHBondContact O-NE 3.47Å; N75-R99 PolarHBondContact ND2-NH2 3.43Å; N75-R99 PolarHBondContact OD1-NH2 3.36Å; R99-H101 VanDerWaalsContact C-N 3.3Å; R99-H101 PolarHBondContact O-N 3.27Å
100G77.4Confident83.4Confident81 Ų8167.5 Ų67.584%0.83534%0.341SS*.THydrogen-bonded Turntrans80.2-1.3172.500000115.9
101H69.9Low83.5Confident54 Ų5465.2 Ų65.225%0.2533%0.331CS..  trans-111.763.7-179.7-72.1-70.9000112.3S95 F98 R99 Y103S95-H101 VanDerWaalsContact CA-O 3.28Å; S95-H101 WeakPolarHBondContact CA-O 3.4Å; S95-H101 WeakPolarHBondContact CB-O 3.25Å; F98-H101 HydrophobicContact CB-CB 4.33Å; R99-H101 VanDerWaalsContact C-N 3.3Å; R99-H101 PolarHBondContact O-N 3.27Å; H101-Y103 VanDerWaalsContact C-N 3.26Å; H101-Y103 PolarHBondContact O-N 2.98Å
102A56.4Low83.5Confident75 Ų7558.5 Ų58.562%0.6231%0.306SS*.THydrogen-bonded Turntrans-67.4-20.2-174.800000114.8
103Y58.8Low83.5Confident219 Ų21958.2 Ų58.286%0.85930%0.304SS*.THydrogen-bonded Turntrans-92.75.4-163.3-77.1-79.1000116.6H101H101-Y103 VanDerWaalsContact C-N 3.26Å; H101-Y103 PolarHBondContact O-N 2.98Å
104M67.6Low83.4Confident107 Ų10764.3 Ų64.353%0.52733%0.325SS..  trans-117108.1-177.6-60.2-64.1177.400110.6R94 S95 D106R94-M104 HydrophobicContact CB-CB 4.25Å; R94-M104 HydrophobicContact CG-CB 4.5Å; S95-M104 PolarHBondContact N-O 2.98Å; M104-D106 VanDerWaalsContact C-N 3.3Å
105E72.9Confident83.2Confident181 Ų18165.1 Ų65.185%0.84635%0.345SS*.  trans-80.2-7.3178.8-73.8-163.2156.900113.9
106D86.3Confident83.3Confident71 Ų7170.1 Ų70.138%0.3837%0.369SS..  trans-68.2156.4-179.376.7-47.2000112.2R94 M104R94-D106 IonicContact CZ-OD1 3.64Å; R94-D106 IonicContact CZ-OD2 2.63Å; R94-D106 VanDerWaalsContact CZ-OD2 3.3Å; R94-D106 PolarHBondContact N-O 3.21Å; R94-D106 IonicContact NH1-OD1 3.03Å; R94-D106 PolarHBondContact NH1-OD1 3.11Å; R94-D106 IonicContact NH1-OD2 3.01Å; R94-D106 PolarHBondContact NH1-OD2 3.01Å; R94-D106 IonicContact NH2-OD2 3Å; R94-D106 PolarHBondContact NH2-OD2 3.35Å; M104-D106 VanDerWaalsContact C-N 3.3Å
107Q88.6Confident83.2Confident94 Ų9470.9 Ų70.944%0.43937%0.367SS..EExtended strand (participates in β ladder)trans-100.2129.5-171.5-68.4-108.7-36.500110.8V92V92-Q107 WeakPolarHBondContact O-CA 3.36Å
108V90.3Very high83Confident0 Ų072 Ų720%038%0.375CS..EExtended strand (participates in β ladder)trans-111.9146.3171.9-66.20000109.5I45 E47 R91 V92 R94 L97I45-V108 HydrophobicContact CG2-CB 4.49Å; E47-V108 HydrophobicContact CG-CG1 3.95Å; R91-V108 WeakPolarHBondContact CA-O 3.37Å; V92-V108 HydrophobicContact CG2-CG2 4.13Å; V92-V108 PolarHBondContact N-O 3.36Å; V92-V108 PolarHBondContact O-N 2.79Å; R94-V108 VanDerWaalsContact NH2-CG1 3.29Å; L97-V108 HydrophobicContact CB-CG2 4.39Å; L97-V108 HydrophobicContact CD2-CG2 3.53Å
109T91.3Very high82.9Confident6 Ų672.1 Ų72.14%0.03738%0.376CS..EExtended strand (participates in β ladder)trans-98.8127173-52.40000108.5I45 C46 C89 H90 R91 C128I45-T109 CarbonylContact C-O 3.51Å; I45-T109 WeakPolarHBondContact CA-O 3.36Å; C46-T109 PolarHBondContact N-O 3.19Å; C46-T109 PolarHBondContact O-N 3.02Å; C89-T109 HydrophobicContact CB-CG2 3.99Å; H90-T109 WeakPolarHBondContact O-CA 3.4Å; R91-T109 VanDerWaalsContact CG-OG1 3.29Å; R91-T109 WeakPolarHBondContact CG-OG1 3.48Å; T109-C128 HydrophobicContact CG2-CB 4.01Å
110I91.1Very high82.7Confident0 Ų067.1 Ų67.10%036%0.357CS..EExtended strand (participates in β ladder)trans-123.2138.9173.2-175.4170.9000109.7A43 I44 I45 I78 M81 C89 H90 V92 L97 I112A43-I110 HydrophobicContact CB-CD1 4.48Å; I44-I110 WeakPolarHBondContact O-CA 3.44Å; I45-I110 HydrophobicContact CG1-CB 4.42Å; I45-I110 HydrophobicContact CG1-CD1 4.13Å; I45-I110 HydrophobicContact CG1-CG1 4.08Å; I78-I110 HydrophobicContact CD1-CD1 4.07Å; M81-I110 HydrophobicContact CE-CG2 3.57Å; M81-I110 HydrophobicContact SD-CG2 3.57Å; M81-I110 VanDerWaalsContact SD-CG2 3.57Å; C89-I110 CarbonylContact C-O 3.6Å; C89-I110 WeakPolarHBondContact CA-O 2.94Å; H90-I110 PolarHBondContact N-O 2.85Å; H90-I110 PolarHBondContact O-N 2.9Å; V92-I110 HydrophobicContact CG2-CG2 4Å; L97-I110 HydrophobicContact CD1-CD1 3.82Å; L97-I110 HydrophobicContact CD1-CG2 4.06Å; L97-I110 HydrophobicContact CD2-CB 4.14Å; L97-I110 HydrophobicContact CD2-CD1 4.16Å; L97-I110 HydrophobicContact CD2-CG2 4.15Å; I110-I112 HydrophobicContact CG1-CG1 4.46Å
111C90.5Very high82.2Confident3 Ų368 Ų682%0.0234%0.343CS..EExtended strand (participates in β ladder)trans-125.8135.6171.3-36.20000109.1A43 I44 C89 A124A43-C111 VanDerWaalsContact CA-O 3.25Å; A43-C111 WeakPolarHBondContact CA-O 3.4Å; I44-C111 HydrophobicContact CG2-CB 3.8Å; I44-C111 PolarHBondContact N-O 3.5Å; I44-C111 PolarHBondContact O-N 3.42Å; C89-C111 VanDerWaalsContact CA-SG 3.59Å; C89-C111 HydrophobicContact CB-CB 4.01Å; C89-C111 WeakPolarHBondContact CB-SG 3.32Å; C89-C111 WeakPolarHBondContact SG-CB 3.4Å; C89-C111 CovalentContact SG-SG 2.02Å; C89-C111 PolarHBondContact SG-SG 2.86Å; C111-A124 HydrophobicContact CB-CB 3.85Å; C111-A124 PolarHBondContact SG-O 3.19Å
112I90.5Very high81.8Confident7 Ų774.1 Ų74.14%0.03636%0.364CS..EExtended strand (participates in β ladder)trans-113.4138179.4-54.8177.8000107.9A41 C42 I65 I78 M81 I110A41-I112 HydrophobicContact CB-CG2 3.58Å; C42-I112 WeakPolarHBondContact O-CA 3.35Å; I65-I112 HydrophobicContact CD1-CD1 3.55Å; I65-I112 HydrophobicContact CD1-CG1 3.86Å; I65-I112 HydrophobicContact CD1-CG2 4.29Å; I78-I112 HydrophobicContact CD1-CD1 4.02Å; I78-I112 HydrophobicContact CG2-CD1 3.99Å; M81-I112 HydrophobicContact CB-CD1 3.58Å; M81-I112 HydrophobicContact CB-CG1 4.42Å; M81-I112 HydrophobicContact SD-CD1 4.17Å; I110-I112 HydrophobicContact CG1-CG1 4.46Å
113C89.9Confident81.6Confident8 Ų873.1 Ų73.15%0.05436%0.355CS..EExtended strand (participates in β ladder)trans-148.2165.117766.50000111.6C42 A87 C118 N119C42-C113 PolarHBondContact N-O 3.32Å; C42-C113 PolarHBondContact O-N 3.12Å; A87-C113 HydrophobicContact CB-CB 4.13Å; C113-C118 HydrophobicContact CB-CB 3.81Å; C113-C118 WeakPolarHBondContact CB-SG 3.5Å; C113-C118 PolarHBondContact O-SG 2.98Å; C113-C118 WeakPolarHBondContact SG-CB 3.2Å; C113-C118 CovalentContact SG-SG 2.05Å; C113-C118 PolarHBondContact SG-SG 2.88Å; C113-N119 PolarHBondContact SG-N 2.93Å
114Y88.4Confident81.3Confident141 Ų14162.8 Ų62.855%0.55332%0.315SS*.  trans-123.7145.9178.9-58.8-91.3000109.3A41 C118A41-Y114 HydrophobicContact CB-CD1 4.02Å; A41-Y114 HydrophobicContact CB-CE1 3.54Å; Y114-C118 PolarHBondContact N-SG 3.17Å; Y114-C118 VanDerWaalsContact N-SG 3.43Å
115G88.1Confident80.9Confident54 Ų5458.2 Ų58.256%0.55729%0.292SS*.SBendtrans111168.4-178.100000113.4R117G115-R117 PolarHBondContact O-N 3.16Å
116D89.5Confident80Confident145 Ų14552.4 Ų52.478%0.77527%0.272SS*.THydrogen-bonded Turntrans-65.6128.1-176.2-170.333.6000111C118D116-C118 PolarHBondContact O-N 2.02Å
117R88.7Confident78.4Confident127 Ų12750.9 Ų50.948%0.47927%0.273SS..THydrogen-bonded Turntrans49.823178.4-57.4171.4-170.1-140.4-3115G115 N119 S120G115-R117 PolarHBondContact O-N 3.16Å; R117-N119 PolarHBondContact O-N 2.98Å; R117-N119 VanDerWaalsContact O-N 3.12Å; R117-S120 WeakPolarHBondContact O-CA 3.28Å; R117-S120 WeakPolarHBondContact O-CB 3.47Å; R117-S120 PolarHBondContact O-N 2.91Å; R117-S120 PolarHBondContact O-OG 2.94Å
118C88.4Confident76.7Confident24 Ų2446.9 Ų46.916%0.16226%0.255CS..G310 helixtrans-62.2-27.1-171.866.40000113.7C113 Y114 D116 S120 N121C113-C118 HydrophobicContact CB-CB 3.81Å; C113-C118 WeakPolarHBondContact CB-SG 3.5Å; C113-C118 PolarHBondContact O-SG 2.98Å; C113-C118 WeakPolarHBondContact SG-CB 3.2Å; C113-C118 CovalentContact SG-SG 2.05Å; C113-C118 PolarHBondContact SG-SG 2.88Å; Y114-C118 PolarHBondContact N-SG 3.17Å; Y114-C118 VanDerWaalsContact N-SG 3.43Å; D116-C118 PolarHBondContact O-N 2.02Å; C118-S120 PolarHBondContact O-N 2.03Å; C118-N121 VanDerWaalsContact O-CB 3.25Å; C118-N121 WeakPolarHBondContact O-CB 3.03Å; C118-N121 PolarHBondContact O-N 2.9Å
119N89Confident74.8Confident8 Ų849.6 Ų49.64%0.04327%0.273CS..G310 helixtrans-74.90.6176.165.6-11.6000112.8C42 A43 I44 C113 R117C42-N119 HydrophobicContact CB-CB 3.99Å; A43-N119 PolarHBondContact O-ND2 3.04Å; I44-N119 HydrophobicContact CB-CB 4.34Å; C113-N119 PolarHBondContact SG-N 2.93Å; R117-N119 PolarHBondContact O-N 2.98Å; R117-N119 VanDerWaalsContact O-N 3.12Å
120S83.5Confident72.6Confident4 Ų452.5 Ų52.53%0.02829%0.294CS..G310 helixtrans-85.2-12166.3-44.80000111.1M28 E30 R62 R117 C118 R125M28-S120 VanDerWaalsContact CE-CB 3.5Å; M28-S120 WeakPolarHBondContact CE-O 3.24Å; E30-S120 VanDerWaalsContact OE1-CB 3.28Å; E30-S120 WeakPolarHBondContact OE1-CB 3.05Å; R62-S120 PolarHBondContact NH2-OG 2.92Å; R62-S120 VanDerWaalsContact NH2-OG 3.11Å; R117-S120 WeakPolarHBondContact O-CA 3.28Å; R117-S120 WeakPolarHBondContact O-CB 3.47Å; R117-S120 PolarHBondContact O-N 2.91Å; R117-S120 PolarHBondContact O-OG 2.94Å; C118-S120 PolarHBondContact O-N 2.03Å; S120-R125 PolarHBondContact O-NE 3.3Å; S120-R125 PolarHBondContact O-NH2 3.36Å
121N66.6Low70.3Confident99 Ų9962.4 Ų62.453%0.52933%0.331SS..  trans-75.3138.6-170.7-156.6-13.7000113C118 A123 A124C118-N121 VanDerWaalsContact O-CB 3.25Å; C118-N121 WeakPolarHBondContact O-CB 3.03Å; C118-N121 PolarHBondContact O-N 2.9Å; N121-A123 PolarHBondContact O-N 3.11Å; N121-A124 PolarHBondContact O-N 3.37Å
122R61.1Low68Low184 Ų18466.9 Ų66.969%0.69436%0.359SS*.Hα-helixtrans-59.1-28.7-179.1-74.3-175.6-172.4-165.31.9113.1A124 R125 S126R122-A124 VanDerWaalsContact C-N 3.33Å; R122-A124 PolarHBondContact O-N 2.87Å; R122-R125 CarbonylContact O-C 3.54Å; R122-R125 WeakPolarHBondContact O-CA 3.07Å; R122-R125 WeakPolarHBondContact O-CB 3.39Å; R122-R125 PolarHBondContact O-N 3.28Å; R122-S126 PolarHBondContact O-N 3.43Å; R122-S126 PolarHBondContact O-OG 2.05Å
123A52.7Low65.6Low54 Ų5470.6 Ų70.645%0.44638%0.384SS..Hα-helixtrans-62.5-38.3179.900000112.9N121 R125 S126N121-A123 PolarHBondContact O-N 3.11Å; A123-R125 PolarHBondContact O-N 3.4Å; A123-S126 WeakPolarHBondContact CA-OG 3.49Å; A123-S126 PolarHBondContact O-OG 2.93Å
124A53Low63.5Low2 Ų274 Ų742%0.01741%0.405CS..Hα-helixtrans-67.6-17.6171.900000111.8I44 C89 C111 N121 R122I44-A124 HydrophobicContact CG2-CB 4.09Å; C89-A124 VanDerWaalsContact SG-C 3.52Å; C89-A124 VanDerWaalsContact SG-CA 3.51Å; C89-A124 PolarHBondContact SG-O 2.9Å; C111-A124 HydrophobicContact CB-CB 3.85Å; C111-A124 PolarHBondContact SG-O 3.19Å; N121-A124 PolarHBondContact O-N 3.37Å; R122-A124 VanDerWaalsContact C-N 3.33Å; R122-A124 PolarHBondContact O-N 2.87Å
125R57.5Low61.5Low10 Ų1073.2 Ų73.24%0.03841%0.406CS..Hα-helixtrans-97.5-33.1-176.7-61.7-172.8-94138.1-18.3112E26 I44 S120 R122 A123 G127 C128 C129E26-R125 VanDerWaalsContact OE1-CB 3.31Å; E26-R125 WeakPolarHBondContact OE1-CB 3.05Å; E26-R125 WeakPolarHBondContact OE1-CD 3.02Å; E26-R125 IonicContact OE1-CZ 2.97Å; E26-R125 IonicContact OE1-NE 2.91Å; E26-R125 IonicContact OE1-NH1 3.64Å; E26-R125 PolarHBondContact OE1-NH1 2.99Å; E26-R125 IonicContact OE2-NH1 3.91Å; E26-R125 PolarHBondContact OE2-NH1 3.44Å; I44-R125 HydrophobicContact CD1-CG 4.13Å; S120-R125 PolarHBondContact O-NE 3.3Å; S120-R125 PolarHBondContact O-NH2 3.36Å; R122-R125 CarbonylContact O-C 3.54Å; R122-R125 WeakPolarHBondContact O-CA 3.07Å; R122-R125 WeakPolarHBondContact O-CB 3.39Å; R122-R125 PolarHBondContact O-N 3.28Å; A123-R125 PolarHBondContact O-N 3.4Å; R125-G127 VanDerWaalsContact C-N 3.27Å; R125-G127 PolarHBondContact O-N 2.83Å; R125-C128 WeakPolarHBondContact O-CB 3.35Å; R125-C128 PolarHBondContact O-N 2.91Å; R125-C129 PolarHBondContact O-N 3.12Å
126S54.6Low59.8Low60 Ų6077.7 Ų77.742%0.4241%0.41SS..Hα-helixtrans-58.4-39.9171.9420000111.4R122 A123 C128 C129 S130R122-S126 PolarHBondContact O-N 3.43Å; R122-S126 PolarHBondContact O-OG 2.05Å; A123-S126 WeakPolarHBondContact CA-OG 3.49Å; A123-S126 PolarHBondContact O-OG 2.93Å; S126-C128 PolarHBondContact O-N 2.89Å; S126-C128 VanDerWaalsContact O-N 3.11Å; S126-C129 CarbonylContact O-C 3.54Å; S126-C129 PolarHBondContact O-N 3.15Å; S126-S130 VanDerWaalsContact O-CA 3.28Å; S126-S130 WeakPolarHBondContact O-CA 3.42Å; S126-S130 WeakPolarHBondContact O-CB 3.46Å; S126-S130 PolarHBondContact O-N 3.5Å; S126-S130 PolarHBondContact O-OG 3.23Å
127G53.4Low57.9Low39 Ų3978.3 Ų78.340%0.40241%0.406SS..Hα-helixtrans-55.9-30.9174.400000114.1R125R125-G127 VanDerWaalsContact C-N 3.27Å; R125-G127 PolarHBondContact O-N 2.83Å
128C52.6Low56.5Low9 Ų976.9 Ų76.96%0.06141%0.408CS..Hα-helixtrans-81.7-28.1176.5-163.30000113.7C46 Y58 T109 R125 S126C46-C128 HydrophobicContact CB-CB 3.98Å; C46-C128 WeakPolarHBondContact CB-SG 3.47Å; Y58-C128 PolarHBondContact OH-O 3.3Å; T109-C128 HydrophobicContact CG2-CB 4.01Å; R125-C128 WeakPolarHBondContact O-CB 3.35Å; R125-C128 PolarHBondContact O-N 2.91Å; S126-C128 PolarHBondContact O-N 2.89Å; S126-C128 VanDerWaalsContact O-N 3.11Å
129C49.9Very low55.2Low57 Ų5781.3 Ų81.339%0.38543%0.43SS..Hα-helixtrans-94.8-12.5-179.7-140.70000113.1R125 S126 R131R125-C129 PolarHBondContact O-N 3.12Å; S126-C129 CarbonylContact O-C 3.54Å; S126-C129 PolarHBondContact O-N 3.15Å; C129-R131 VanDerWaalsContact C-N 3.31Å; C129-R131 PolarHBondContact O-N 2.93Å
130S45.8Very low54Low68 Ų6886.5 Ų86.548%0.47646%0.455SS..THydrogen-bonded Turntrans-73.71.8-152.5-1080000118.1S126S126-S130 VanDerWaalsContact O-CA 3.28Å; S126-S130 WeakPolarHBondContact O-CA 3.42Å; S126-S130 WeakPolarHBondContact O-CB 3.46Å; S126-S130 PolarHBondContact O-N 3.5Å; S126-S130 PolarHBondContact O-OG 3.23Å
131R43.2Very low53.6Low207 Ų20790.2 Ų90.278%0.78148%0.478SS*.THydrogen-bonded Turntrans-116.2-28.3176.3-76.3-170.6178.3-170.90.5115.7C129 Q135C129-R131 VanDerWaalsContact C-N 3.31Å; C129-R131 PolarHBondContact O-N 2.93Å; R131-Q135 WeakPolarHBondContact O-CG 3.48Å
132V41Very low54.1Low98 Ų9890.9 Ų90.959%0.59448%0.48SS*.Hα-helixtrans-84.4-41.4-172.9-175.90000111.6
133C41.7Very low55Low85 Ų8589.2 Ų89.257%0.57448%0.475SS*.Hα-helixtrans-74.2-29.8-176.8-77.60000114.4
134T44.1Very low56.3Low79 Ų7990.9 Ų90.949%0.48548%0.476SS..Hα-helixtrans-80.7-34.1-175.7-27.10000112.4K137 N138T134-K137 PolarHBondContact O-N 3.16Å; T134-N138 PolarHBondContact O-N 2.89Å
135Q48.2Very low57.8Low124 Ų12495.4 Ų95.458%0.57950%0.499SS*.Hα-helixtrans-65.3-40.1179-74.9-74.93.500112R131 K137 N138 L139R131-Q135 WeakPolarHBondContact O-CG 3.48Å; Q135-K137 PolarHBondContact O-N 2.96Å; Q135-N138 PolarHBondContact O-N 2.77Å; Q135-L139 PolarHBondContact O-N 3Å
136F50.7Low59Low148 Ų14898.6 Ų98.665%0.64952%0.519SS*.Hα-helixtrans-65.8-34179.3-103.9-86.4000113.6M140F136-M140 PolarHBondContact O-N 3.03Å
137K50.8Low60.1Low158 Ų158100.7 Ų100.769%0.68752%0.521SS*.Hα-helixtrans-66.2-41.8176.8-78.9-170.3173-172.60112.1T134 Q135 M140 V141T134-K137 PolarHBondContact O-N 3.16Å; Q135-K137 PolarHBondContact O-N 2.96Å; K137-M140 PolarHBondContact O-N 3.11Å; K137-V141 WeakPolarHBondContact O-CG2 3.25Å; K137-V141 PolarHBondContact O-N 2.79Å; K137-V141 VanDerWaalsContact O-N 3.16Å
138N57.8Low61.1Low97 Ų97106.4 Ų106.452%0.51954%0.535SS..Hα-helixtrans-69-38.2-178.2-72-17.2000112.3T134 Q135 V141 L142T134-N138 PolarHBondContact O-N 2.89Å; Q135-N138 PolarHBondContact O-N 2.77Å; N138-V141 PolarHBondContact O-N 2.82Å; N138-L142 WeakPolarHBondContact O-CB 3.17Å; N138-L142 PolarHBondContact O-N 3.47Å
139L61Low62.1Low118 Ų118115.8 Ų115.862%0.61857%0.569SS**Hα-helixtrans-65.5-41176.2-103.9135.9000112.7Q135 L142 Y143Q135-L139 PolarHBondContact O-N 3Å; L139-L142 PolarHBondContact O-N 3.37Å; L139-Y143 WeakPolarHBondContact O-CB 3.37Å; L139-Y143 PolarHBondContact O-N 3.01Å
140M65.1Low63.2Low116 Ų116119.4 Ų119.457%0.57158%0.584SS**Hα-helixtrans-63.8-41.6175.7-83-71.7-70.200112.5F136 K137 Y143 L144F136-M140 PolarHBondContact O-N 3.03Å; K137-M140 PolarHBondContact O-N 3.11Å; M140-Y143 PolarHBondContact O-N 3.34Å; M140-L144 WeakPolarHBondContact O-CB 3.28Å; M140-L144 WeakPolarHBondContact O-CG 3.25Å; M140-L144 PolarHBondContact O-N 2.96Å
141V74.9Confident64.4Low83 Ų83122.1 Ų122.150%0.50359%0.593SS.*Hα-helixtrans-66.1-44177.9172.50000111K137 N138 Y143 L144 I145K137-V141 WeakPolarHBondContact O-CG2 3.25Å; K137-V141 PolarHBondContact O-N 2.79Å; K137-V141 VanDerWaalsContact O-N 3.16Å; N138-V141 PolarHBondContact O-N 2.82Å; V141-Y143 PolarHBondContact O-N 3.11Å; V141-L144 PolarHBondContact O-N 2.8Å; V141-I145 HydrophobicContact CG1-CD1 3.72Å; V141-I145 HydrophobicContact CG1-CG1 4.42Å; V141-I145 WeakPolarHBondContact O-CD1 3.27Å; V141-I145 WeakPolarHBondContact O-CG1 3.33Å; V141-I145 PolarHBondContact O-N 3.46Å
142L76.4Confident65.3Low112 Ų112123.2 Ų123.259%0.58661%0.607SS**Hα-helixtrans-60.4-44174.8-101.5147.2000112.1N138 L139 I145 V146N138-L142 WeakPolarHBondContact O-CB 3.17Å; N138-L142 PolarHBondContact O-N 3.47Å; L139-L142 PolarHBondContact O-N 3.37Å; L142-I145 PolarHBondContact O-N 3.15Å; L142-V146 VanDerWaalsContact O-CG2 3.3Å; L142-V146 WeakPolarHBondContact O-CG2 3.47Å; L142-V146 PolarHBondContact O-N 2.97Å
143Y80.3Confident66.5Low150 Ų150124.5 Ų124.559%0.58861%0.608SS**Hα-helixtrans-62.3-44.7178.1-162.9-94000111.7L139 M140 V141 I145 V146 F147L139-Y143 WeakPolarHBondContact O-CB 3.37Å; L139-Y143 PolarHBondContact O-N 3.01Å; M140-Y143 PolarHBondContact O-N 3.34Å; V141-Y143 PolarHBondContact O-N 3.11Å; Y143-I145 PolarHBondContact O-N 2.83Å; Y143-V146 PolarHBondContact O-N 3.47Å; Y143-F147 AromaticContact CD1-CD2 3.99Å; Y143-F147 HydrophobicContact CD1-CD2 3.99Å; Y143-F147 AromaticContact CE1-CD2 3.38Å; Y143-F147 HydrophobicContact CE1-CD2 3.38Å; Y143-F147 AromaticContact CE1-CE2 3.58Å; Y143-F147 HydrophobicContact CE1-CE2 3.58Å; Y143-F147 HydrophobicContact CE1-CG 4.43Å; Y143-F147 AromaticContact CZ-CD2 3.85Å; Y143-F147 AromaticContact CZ-CE2 3.79Å; Y143-F147 WeakPolarHBondContact O-CB 3.46Å; Y143-F147 PolarHBondContact O-N 3.01Å; Y143-F147 WeakPolarHBondContact OH-CE2 3.43Å
144L80.9Confident67.8Low89 Ų89126.6 Ų126.647%0.46661%0.61SS.*Hα-helixtrans-62.4-42.5176.4-73.7168.1000112.1M140 V141 V146 F147 F148M140-L144 WeakPolarHBondContact O-CB 3.28Å; M140-L144 WeakPolarHBondContact O-CG 3.25Å; M140-L144 PolarHBondContact O-N 2.96Å; V141-L144 PolarHBondContact O-N 2.8Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 3.39Å; L144-F147 PolarHBondContact O-N 3.27Å; L144-F148 WeakPolarHBondContact O-CD2 3.27Å; L144-F148 PolarHBondContact O-N 2.93Å
145I83.7Confident69.1Low97 Ų97129.2 Ų129.250%0.49762%0.617SS.*Hα-helixtrans-62-43.4177.2-67.8164.5000110.8V141 L142 Y143 R149V141-I145 HydrophobicContact CG1-CD1 3.72Å; V141-I145 HydrophobicContact CG1-CG1 4.42Å; V141-I145 WeakPolarHBondContact O-CD1 3.27Å; V141-I145 WeakPolarHBondContact O-CG1 3.33Å; V141-I145 PolarHBondContact O-N 3.46Å; L142-I145 PolarHBondContact O-N 3.15Å; Y143-I145 PolarHBondContact O-N 2.83Å; I145-R149 WeakPolarHBondContact O-CB 3.08Å; I145-R149 WeakPolarHBondContact O-CG 3.33Å; I145-R149 PolarHBondContact O-N 3.22Å
146V82Confident70.3Confident76 Ų76129.5 Ų129.546%0.46162%0.619SS.*Hα-helixtrans-65.9-41.8177.5172.60000110.9L142 Y143 L144 R149 L150L142-V146 VanDerWaalsContact O-CG2 3.3Å; L142-V146 WeakPolarHBondContact O-CG2 3.47Å; L142-V146 PolarHBondContact O-N 2.97Å; Y143-V146 PolarHBondContact O-N 3.47Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 3.39Å; V146-R149 PolarHBondContact O-N 2.89Å; V146-L150 HydrophobicContact CG1-CD1 3.81Å; V146-L150 PolarHBondContact O-N 3.45Å; V146-L150 VanDerWaalsContact O-N 3.11Å
147F78.9Confident71.6Confident104 Ų104128.4 Ų128.446%0.45662%0.617SS.*Hα-helixtrans-65-39.5178.4-127.6-90.1000112.9Y143 L144 N151Y143-F147 AromaticContact CD1-CD2 3.99Å; Y143-F147 HydrophobicContact CD1-CD2 3.99Å; Y143-F147 AromaticContact CE1-CD2 3.38Å; Y143-F147 HydrophobicContact CE1-CD2 3.38Å; Y143-F147 AromaticContact CE1-CE2 3.58Å; Y143-F147 HydrophobicContact CE1-CE2 3.58Å; Y143-F147 HydrophobicContact CE1-CG 4.43Å; Y143-F147 AromaticContact CZ-CD2 3.85Å; Y143-F147 AromaticContact CZ-CE2 3.79Å; Y143-F147 WeakPolarHBondContact O-CB 3.46Å; Y143-F147 PolarHBondContact O-N 3.01Å; Y143-F147 WeakPolarHBondContact OH-CE2 3.43Å; L144-F147 PolarHBondContact O-N 3.27Å; F147-N151 PolarHBondContact O-ND2 3.06Å
148F74.3Confident72.9Confident160 Ų160126.4 Ų126.470%0.70261%0.612SS**Hα-helixtrans-69.7-35.9175.5-92.9-81.1000112.2L144 L150 N151L144-F148 WeakPolarHBondContact O-CD2 3.27Å; L144-F148 PolarHBondContact O-N 2.93Å; F148-L150 VanDerWaalsContact C-N 3.33Å; F148-L150 PolarHBondContact O-N 3.18Å; F148-N151 PolarHBondContact O-N 3.08Å
149R73.9Confident74Confident205 Ų205128.5 Ų128.577%0.77462%0.619SS**Hα-helixtrans-69.8-24.9176.5-82.1-102-172.6172.80.9114.1I145 V146I145-R149 WeakPolarHBondContact O-CB 3.08Å; I145-R149 WeakPolarHBondContact O-CG 3.33Å; I145-R149 PolarHBondContact O-N 3.22Å; V146-R149 PolarHBondContact O-N 2.89Å
150L72.8Confident75Confident133 Ų133129.3 Ų129.370%0.69662%0.619SS**Hα-helixtrans-85.7-14.8178.9-84.7157.3000113.6V146 F148V146-L150 HydrophobicContact CG1-CD1 3.81Å; V146-L150 PolarHBondContact O-N 3.45Å; V146-L150 VanDerWaalsContact O-N 3.11Å; F148-L150 VanDerWaalsContact C-N 3.33Å; F148-L150 PolarHBondContact O-N 3.18Å
151N70.3Confident75.8Confident126 Ų126130.4 Ų130.467%0.67462%0.623SS**  trans-108.720-177.4-73.7-66.1000113.3F147 F148F147-N151 PolarHBondContact O-ND2 3.06Å; F148-N151 PolarHBondContact O-N 3.08Å
152Q61.7Low75.9Confident230 Ų230134.7 Ų134.7100%1.07563%0.634SS**  trans-128.30178.5-153176.223.200109.8

Retrieved 152 of 152 residues in 439.1 ms (Link to these results)

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