A0A087YGM9_POEFO Loading...

Signal transducing adaptor molecule (SH3 domain and ITAM motif) 2

AlphaFold DB , UniProt , Accession A0A087YGM9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 516 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.5Very low74.1Confident220 Ų220115.6 Ų115.6100%1.08461%0.609SS**  0115.70-60.6-60.9-107.600108
2P46.9Very low75.9Confident112 Ų112107.9 Ų107.973%0.72757%0.568SS**  trans-68.7130.5168.928.9-31.7000109.4F4P2-F4 HydrophobicContact CB-CD2 4.19Å; P2-F4 PolarHBondContact O-N 3.32Å
3L50.5Low77.5Confident172 Ų17299.6 Ų99.690%0.90153%0.525SS*.  trans-8527.7-176.1-74.4167.3000113.4
4F64.9Low78.8Confident180 Ų18099.7 Ų99.779%0.78952%0.521SS*.  trans-96.7113.3-179.3-63.4-69.1000110.2P2 Q6P2-F4 HydrophobicContact CB-CD2 4.19Å; P2-F4 PolarHBondContact O-N 3.32Å; F4-Q6 PolarHBondContact O-N 3.33Å; F4-Q6 VanDerWaalsContact O-N 3.12Å
5S63.8Low79.9Confident119 Ų11999.5 Ų99.583%0.83251%0.514SS*.  trans-59.9110.7162.950.40000108.5N7S5-N7 PolarHBondContact O-N 2.88Å
6Q82.1Confident80.9Confident185 Ų18593.6 Ų93.686%0.86448%0.484SS*.  trans-65.2133.9176.9-70.2-177.5-7600109.8F4F4-Q6 PolarHBondContact O-N 3.33Å; F4-Q6 VanDerWaalsContact O-N 3.12Å
7N90.3Very high81.8Confident31 Ų3188.1 Ų88.117%0.16646%0.456CS..  trans-67.3125.4174.9-179.5-20.2000109S5 F9 D10 D45S5-N7 PolarHBondContact O-N 2.88Å; N7-F9 PolarHBondContact O-N 3.03Å; N7-F9 PolarHBondContact OD1-N 2.43Å; N7-D10 HydrophobicContact CB-CB 4.22Å; N7-D10 PolarHBondContact ND2-OD1 2.58Å; N7-D10 PolarHBondContact O-N 2.95Å; N7-D10 VanDerWaalsContact O-N 3.15Å; N7-D45 PolarHBondContact ND2-O 2.59Å
8P91.5Very high82.5Confident66 Ų6685.8 Ų85.843%0.42945%0.445SS..THydrogen-bonded Turntrans-64.5-12-176.825.9-34.4000114.1K35P8-K35 WeakPolarHBondContact O-CE 3.46Å; P8-K35 PolarHBondContact O-NZ 2.89Å
9F95.3Very high83.1Confident0 Ų086.9 Ų86.90%045%0.448CS..THydrogen-bonded Turntrans-95.7-20.1177.1-63.6-85.8000114.1N7 Q11 D12 V13 I32 K35 I36 T39 D45N7-F9 PolarHBondContact O-N 3.03Å; N7-F9 PolarHBondContact OD1-N 2.43Å; F9-Q11 VanDerWaalsContact C-N 3.27Å; F9-Q11 PolarHBondContact O-N 2.59Å; F9-Q11 VanDerWaalsContact O-N 3.13Å; F9-D12 PolarHBondContact O-N 2.96Å; F9-D12 VanDerWaalsContact O-N 3.09Å; F9-V13 HydrophobicContact CB-CG2 4Å; F9-V13 WeakPolarHBondContact O-CB 3.45Å; F9-V13 VanDerWaalsContact O-CG2 3.29Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 2.94Å; F9-I32 HydrophobicContact CD1-CG2 4.39Å; F9-K35 HydrophobicContact CD1-CD 4.32Å; F9-K35 HydrophobicContact CD1-CG 4.42Å; F9-K35 HydrophobicContact CE1-CB 4.07Å; F9-K35 HydrophobicContact CE1-CD 4.02Å; F9-K35 HydrophobicContact CE1-CG 3.64Å; F9-K35 HydrophobicContact CZ-CG 4.12Å; F9-I36 HydrophobicContact CD1-CG1 4.3Å; F9-I36 HydrophobicContact CE1-CG1 3.6Å; F9-I36 HydrophobicContact CZ-CG1 4.03Å; F9-T39 HydrophobicContact CE2-CG2 4.13Å; F9-T39 HydrophobicContact CZ-CG2 4.2Å; F9-D45 HydrophobicContact CD2-CB 4.26Å
10D94.4Very high83.6Confident45 Ų4589 Ų8924%0.24146%0.459CS..Hα-helixtrans-55.5-38.7-170.7-96.425.5000113.4N7 E14 S49 K52N7-D10 HydrophobicContact CB-CB 4.22Å; N7-D10 PolarHBondContact ND2-OD1 2.58Å; N7-D10 PolarHBondContact O-N 2.95Å; N7-D10 VanDerWaalsContact O-N 3.15Å; D10-E14 WeakPolarHBondContact O-CB 3.3Å; D10-E14 PolarHBondContact O-N 3.07Å; D10-S49 WeakPolarHBondContact CA-OG 3.42Å; D10-S49 WeakPolarHBondContact OD1-CB 3.31Å; D10-S49 PolarHBondContact OD1-OG 3.32Å; D10-K52 IonicContact OD1-NZ 3.88Å; D10-K52 IonicContact OD2-NZ 3.77Å; D10-K52 PolarHBondContact OD2-NZ 3.27Å
11Q94.4Very high84Confident142 Ų14286.8 Ų86.866%0.66445%0.449SS*.Hα-helixtrans-69.3-38.2-179.1-169.3-179.320.400113F9 K15F9-Q11 VanDerWaalsContact C-N 3.27Å; F9-Q11 PolarHBondContact O-N 2.59Å; F9-Q11 VanDerWaalsContact O-N 3.13Å; Q11-K15 WeakPolarHBondContact O-CG 3.13Å; Q11-K15 PolarHBondContact O-N 2.76Å
12D95.2Very high86.3Confident23 Ų2382.7 Ų82.712%0.12344%0.436CS..Hα-helixtrans-86.2-37.1-174.6-56.7-43.8000110.9F9 E14 K15 A16 L28 I32 K35F9-D12 PolarHBondContact O-N 2.96Å; F9-D12 VanDerWaalsContact O-N 3.09Å; D12-E14 VanDerWaalsContact C-N 3.29Å; D12-E14 PolarHBondContact O-N 2.67Å; D12-K15 WeakPolarHBondContact O-CB 3.43Å; D12-K15 PolarHBondContact O-N 2.91Å; D12-K15 IonicContact OD1-NZ 2.78Å; D12-K15 PolarHBondContact OD1-NZ 2.96Å; D12-A16 PolarHBondContact O-N 2.99Å; D12-L28 HydrophobicContact CB-CD1 4.31Å; D12-I32 HydrophobicContact CB-CD1 4.06Å; D12-I32 HydrophobicContact CB-CG1 3.95Å; D12-K35 IonicContact OD2-NZ 2.63Å; D12-K35 PolarHBondContact OD2-NZ 3.02Å
13V96.6Very high88.4Confident0 Ų082.3 Ų82.30%043%0.432CS..Hα-helixtrans-61.3-37.5169.91740000110.9F9 T17 I32 I50 R53 L68F9-V13 HydrophobicContact CB-CG2 4Å; F9-V13 WeakPolarHBondContact O-CB 3.45Å; F9-V13 VanDerWaalsContact O-CG2 3.29Å; F9-V13 WeakPolarHBondContact O-CG2 3.42Å; F9-V13 PolarHBondContact O-N 2.94Å; V13-T17 WeakPolarHBondContact O-CB 3.17Å; V13-T17 WeakPolarHBondContact O-CG2 3.36Å; V13-T17 PolarHBondContact O-N 3.44Å; V13-T17 PolarHBondContact O-OG1 2.83Å; V13-I32 HydrophobicContact CG2-CD1 4.41Å; V13-I50 HydrophobicContact CG1-CG1 4.16Å; V13-I50 HydrophobicContact CG2-CG1 4.19Å; V13-R53 HydrophobicContact CG1-CG 3.81Å; V13-L68 HydrophobicContact CB-CD2 4.45Å; V13-L68 HydrophobicContact CG1-CD2 4.19Å; V13-L68 HydrophobicContact CG2-CD2 4.11Å
14E95.8Very high90.4Very high101 Ų10176.3 Ų76.347%0.47240%0.4SS..Hα-helixtrans-70.8-32.3174.2177.1150.7-122.800113.9D10 D12 T17 N18 R53D10-E14 WeakPolarHBondContact O-CB 3.3Å; D10-E14 PolarHBondContact O-N 3.07Å; D12-E14 VanDerWaalsContact C-N 3.29Å; D12-E14 PolarHBondContact O-N 2.67Å; E14-T17 CarbonylContact O-C 3.57Å; E14-N18 WeakPolarHBondContact O-CA 3.39Å; E14-N18 WeakPolarHBondContact O-CB 3.33Å; E14-N18 PolarHBondContact O-N 2.85Å; E14-R53 IonicContact OE1-CZ 2.65Å; E14-R53 IonicContact OE1-NH1 3.81Å; E14-R53 PolarHBondContact OE1-NH1 2.84Å; E14-R53 IonicContact OE1-NH2 2.71Å
15K95.4Very high91.7Very high96 Ų9671.6 Ų71.642%0.41738%0.383SS..Hα-helixtrans-67.2-49.4170.6-71.8168.3-160.8157.20111.4Q11 D12 T17 N18 N21 L28Q11-K15 WeakPolarHBondContact O-CG 3.13Å; Q11-K15 PolarHBondContact O-N 2.76Å; D12-K15 WeakPolarHBondContact O-CB 3.43Å; D12-K15 PolarHBondContact O-N 2.91Å; D12-K15 IonicContact OD1-NZ 2.78Å; D12-K15 PolarHBondContact OD1-NZ 2.96Å; K15-T17 VanDerWaalsContact C-N 3.29Å; K15-T17 PolarHBondContact O-N 2.99Å; K15-N18 WeakPolarHBondContact O-CB 3.36Å; K15-N18 PolarHBondContact O-N 3.45Å; K15-N21 PolarHBondContact O-ND2 3.35Å; K15-L28 HydrophobicContact CB-CD2 3.54Å; K15-L28 HydrophobicContact CD-CD2 4.39Å
16A95.4Very high93.2Very high5 Ų572.6 Ų72.64%0.04137%0.369CS..Hα-helixtrans-62.6-38.3-178.700000111.8D12 N21 L28 I32 Q64 L68D12-A16 PolarHBondContact O-N 2.99Å; A16-N21 PolarHBondContact O-ND2 3.44Å; A16-N21 VanDerWaalsContact O-ND2 3.08Å; A16-L28 HydrophobicContact CB-CD2 3.88Å; A16-L28 HydrophobicContact CB-CG 4.21Å; A16-I32 HydrophobicContact CB-CD1 4.02Å; A16-Q64 PolarHBondContact O-NE2 3.28Å; A16-L68 HydrophobicContact CB-CD2 4.3Å
17T96.3Very high93.9Very high0 Ų065.9 Ų65.90%035%0.35CS..THydrogen-bonded Turntrans-101.134.9179.269.10000112.4V13 E14 K15 R53 V61 Q64 A65 L68V13-T17 WeakPolarHBondContact O-CB 3.17Å; V13-T17 WeakPolarHBondContact O-CG2 3.36Å; V13-T17 PolarHBondContact O-N 3.44Å; V13-T17 PolarHBondContact O-OG1 2.83Å; E14-T17 CarbonylContact O-C 3.57Å; K15-T17 VanDerWaalsContact C-N 3.29Å; K15-T17 PolarHBondContact O-N 2.99Å; T17-R53 HydrophobicContact CG2-CB 4.43Å; T17-R53 PolarHBondContact O-NH2 3.22Å; T17-R53 WeakPolarHBondContact OG1-CG 3.41Å; T17-R53 PolarHBondContact OG1-NE 2.96Å; T17-V61 WeakPolarHBondContact O-CG1 3.1Å; T17-V61 WeakPolarHBondContact O-CG2 3.44Å; T17-Q64 HydrophobicContact CG2-CB 4.07Å; T17-A65 HydrophobicContact CG2-CB 3.9Å; T17-L68 HydrophobicContact CG2-CD2 4.43Å
18N94.6Very high94.2Very high48 Ų4865.6 Ų65.626%0.25735%0.348SS..  trans-77.5138.3178.3-160.1-81000111E14 K15 N20 N21 Q64E14-N18 WeakPolarHBondContact O-CA 3.39Å; E14-N18 WeakPolarHBondContact O-CB 3.33Å; E14-N18 PolarHBondContact O-N 2.85Å; K15-N18 WeakPolarHBondContact O-CB 3.36Å; K15-N18 PolarHBondContact O-N 3.45Å; N18-N20 PolarHBondContact O-N 2.94Å; N18-N20 WeakPolarHBondContact OD1-CB 3.33Å; N18-N20 PolarHBondContact OD1-N 2.92Å; N18-N20 VanDerWaalsContact OD1-N 3.13Å; N18-N20 PolarHBondContact OD1-ND2 2.72Å; N18-N21 WeakPolarHBondContact O-CB 3.28Å; N18-N21 PolarHBondContact O-N 3.03Å; N18-N21 VanDerWaalsContact O-N 3.11Å; N18-Q64 PolarHBondContact O-NE2 2.85Å; N18-Q64 PolarHBondContact O-OE1 2.92Å
19E93.6Very high94.4Very high107 Ų10762.6 Ų62.650%0.533%0.328SS..THydrogen-bonded Turntrans-65.9-18.1-178.364.2-169.9-179.600114V61E19-V61 HydrophobicContact CB-CG2 3.7Å
20N92.9Very high94.5Very high127 Ų12765.8 Ų65.868%0.67934%0.344SS*.THydrogen-bonded Turntrans-86.5-8.6176.6-58.1-74.6000113.7N18 T22N18-N20 PolarHBondContact O-N 2.94Å; N18-N20 WeakPolarHBondContact OD1-CB 3.33Å; N18-N20 PolarHBondContact OD1-N 2.92Å; N18-N20 VanDerWaalsContact OD1-N 3.13Å; N18-N20 PolarHBondContact OD1-ND2 2.72Å; N20-T22 PolarHBondContact O-N 2.89Å
21N91.9Very high94.6Very high44 Ų4468.7 Ų68.724%0.23536%0.36CS..  trans-73.7124-179.3-62-8.8000109.8K15 A16 N18 H60K15-N21 PolarHBondContact O-ND2 3.35Å; A16-N21 PolarHBondContact O-ND2 3.44Å; A16-N21 VanDerWaalsContact O-ND2 3.08Å; N18-N21 WeakPolarHBondContact O-CB 3.28Å; N18-N21 PolarHBondContact O-N 3.03Å; N18-N21 VanDerWaalsContact O-N 3.11Å; N21-H60 PolarHBondContact O-NE2 3.49Å
22T90.3Very high94.7Very high133 Ų13362 Ų6282%0.81633%0.329SS*.SBendtrans-80-20.8177.347.20000113.5N20N20-T22 PolarHBondContact O-N 2.89Å
23T91.2Very high94.8Very high104 Ų10461.2 Ų61.264%0.63833%0.325SS*.SBendtrans-142.8163.6-178.8530000110.3D25T23-D25 PolarHBondContact O-N 2.84Å
24D91.8Very high94.7Very high46 Ų4666.7 Ų66.725%0.24635%0.354CS..  trans-70.1125.7170-64-71.2000111.1W26 I29 N67D24-W26 PolarHBondContact O-N 2.94Å; D24-W26 VanDerWaalsContact O-N 3.13Å; D24-I29 HydrophobicContact CB-CD1 4.05Å; D24-N67 PolarHBondContact OD1-ND2 2.71Å; D24-N67 PolarHBondContact OD2-ND2 2.88Å
25D93.1Very high94.7Very high81 Ų8164.7 Ų64.743%0.43334%0.343SS..  trans-80.987.2172.1-175.9-14.2000109.3T23 G27 L28 I29T23-D25 PolarHBondContact O-N 2.84Å; D25-G27 PolarHBondContact O-N 2.85Å; D25-G27 PolarHBondContact OD1-N 2.98Å; D25-L28 HydrophobicContact CB-CB 4.08Å; D25-L28 VanDerWaalsContact CG-CB 3.46Å; D25-L28 PolarHBondContact O-N 2.76Å; D25-L28 PolarHBondContact OD1-N 2.85Å; D25-L28 WeakPolarHBondContact OD2-CB 3.06Å; D25-I29 WeakPolarHBondContact O-CB 3.49Å; D25-I29 VanDerWaalsContact O-CG1 3.24Å; D25-I29 WeakPolarHBondContact O-CG1 3.39Å; D25-I29 PolarHBondContact O-N 2.69Å
26W95.5Very high94.7Very high140 Ų14060.1 Ų60.153%0.5332%0.324SS..Hα-helixtrans-64.1-23.9-179-73.5101.2000113.8D24 I29 M30 A71D24-W26 PolarHBondContact O-N 2.94Å; D24-W26 VanDerWaalsContact O-N 3.13Å; W26-I29 HydrophobicContact CD2-CD1 4.3Å; W26-I29 HydrophobicContact CE3-CB 4.4Å; W26-I29 HydrophobicContact CE3-CD1 4.16Å; W26-I29 HydrophobicContact CE3-CG2 4.04Å; W26-I29 HydrophobicContact CZ3-CD1 4.48Å; W26-I29 HydrophobicContact CZ3-CG2 4.14Å; W26-M30 HydrophobicContact CE3-CE 3.9Å; W26-M30 HydrophobicContact CZ3-CE 4.1Å; W26-M30 VanDerWaalsContact O-CG 3.3Å; W26-M30 WeakPolarHBondContact O-CG 3Å; W26-M30 PolarHBondContact O-N 3.41Å; W26-A71 HydrophobicContact CZ3-CB 4.19Å
27G96.2Very high94.5Very high44 Ų4462.3 Ų62.345%0.45435%0.346SS..Hα-helixtrans-66.1-55.5172.600000110.4D25 I29 M30 D31D25-G27 PolarHBondContact O-N 2.85Å; D25-G27 PolarHBondContact OD1-N 2.98Å; G27-I29 VanDerWaalsContact C-N 3.29Å; G27-I29 PolarHBondContact O-N 2.81Å; G27-M30 PolarHBondContact O-N 3.2Å; G27-M30 VanDerWaalsContact O-N 3.08Å; G27-D31 PolarHBondContact O-N 3.45Å
28L96.1Very high94.3Very high25 Ų2568 Ų6813%0.13138%0.381CS..Hα-helixtrans-62.6-33.2177.9-179.161.8000113.1D12 K15 A16 D25 M30 I32D12-L28 HydrophobicContact CB-CD1 4.31Å; K15-L28 HydrophobicContact CB-CD2 3.54Å; K15-L28 HydrophobicContact CD-CD2 4.39Å; A16-L28 HydrophobicContact CB-CD2 3.88Å; A16-L28 HydrophobicContact CB-CG 4.21Å; D25-L28 HydrophobicContact CB-CB 4.08Å; D25-L28 VanDerWaalsContact CG-CB 3.46Å; D25-L28 PolarHBondContact O-N 2.76Å; D25-L28 PolarHBondContact OD1-N 2.85Å; D25-L28 WeakPolarHBondContact OD2-CB 3.06Å; L28-M30 VanDerWaalsContact C-N 3.34Å; L28-I32 HydrophobicContact CD1-CD1 4.46Å; L28-I32 HydrophobicContact CG-CD1 4.22Å; L28-I32 WeakPolarHBondContact O-CD1 3.27Å; L28-I32 VanDerWaalsContact O-CG1 3.23Å; L28-I32 WeakPolarHBondContact O-CG1 3.36Å; L28-I32 PolarHBondContact O-N 3.34Å
29I96.9Very high94.2Very high3 Ų367.9 Ų67.92%0.01538%0.382CS..Hα-helixtrans-62.8-40.6174.1-72.8165.5000111.1D24 D25 W26 G27 I32 C33 L68 A71D24-I29 HydrophobicContact CB-CD1 4.05Å; D25-I29 WeakPolarHBondContact O-CB 3.49Å; D25-I29 VanDerWaalsContact O-CG1 3.24Å; D25-I29 WeakPolarHBondContact O-CG1 3.39Å; D25-I29 PolarHBondContact O-N 2.69Å; W26-I29 HydrophobicContact CD2-CD1 4.3Å; W26-I29 HydrophobicContact CE3-CB 4.4Å; W26-I29 HydrophobicContact CE3-CD1 4.16Å; W26-I29 HydrophobicContact CE3-CG2 4.04Å; W26-I29 HydrophobicContact CZ3-CD1 4.48Å; W26-I29 HydrophobicContact CZ3-CG2 4.14Å; G27-I29 VanDerWaalsContact C-N 3.29Å; G27-I29 PolarHBondContact O-N 2.81Å; I29-I32 PolarHBondContact O-N 3.38Å; I29-C33 PolarHBondContact O-N 3.19Å; I29-C33 PolarHBondContact O-SG 3.23Å; I29-L68 HydrophobicContact CB-CD1 4.32Å; I29-L68 HydrophobicContact CG1-CD1 4.17Å; I29-L68 HydrophobicContact CG2-CD1 3.98Å; I29-A71 HydrophobicContact CG2-CB 3.37Å
30M96.6Very high93.9Very high68 Ų6868.7 Ų68.734%0.33540%0.395SS..Hα-helixtrans-75.3-39.3177.6-64.3-59.1158.700112.2W26 G27 L28 I32 C33 D34W26-M30 HydrophobicContact CE3-CE 3.9Å; W26-M30 HydrophobicContact CZ3-CE 4.1Å; W26-M30 VanDerWaalsContact O-CG 3.3Å; W26-M30 WeakPolarHBondContact O-CG 3Å; W26-M30 PolarHBondContact O-N 3.41Å; G27-M30 PolarHBondContact O-N 3.2Å; G27-M30 VanDerWaalsContact O-N 3.08Å; L28-M30 VanDerWaalsContact C-N 3.34Å; M30-I32 PolarHBondContact O-N 3.12Å; M30-C33 WeakPolarHBondContact O-CA 3.35Å; M30-C33 WeakPolarHBondContact O-CB 3.39Å; M30-C33 PolarHBondContact O-N 2.82Å; M30-D34 PolarHBondContact O-N 3.28Å
31D96.6Very high93.8Very high106 Ų10667.8 Ų67.857%0.56739%0.39SS*.Hα-helixtrans-53.1-40170.3-75-18.8000111.6G27 K35G27-D31 PolarHBondContact O-N 3.45Å; D31-K35 WeakPolarHBondContact O-CB 3.2Å; D31-K35 PolarHBondContact O-N 3.08Å
32I96.7Very high93.9Very high2 Ų265.7 Ų65.71%0.0138%0.379CS..Hα-helixtrans-66.9-40174.8-69.1163.8000111.2F9 D12 V13 A16 L28 I29 M30 K35 I36 L68F9-I32 HydrophobicContact CD1-CG2 4.39Å; D12-I32 HydrophobicContact CB-CD1 4.06Å; D12-I32 HydrophobicContact CB-CG1 3.95Å; V13-I32 HydrophobicContact CG2-CD1 4.41Å; A16-I32 HydrophobicContact CB-CD1 4.02Å; L28-I32 HydrophobicContact CD1-CD1 4.46Å; L28-I32 HydrophobicContact CG-CD1 4.22Å; L28-I32 WeakPolarHBondContact O-CD1 3.27Å; L28-I32 VanDerWaalsContact O-CG1 3.23Å; L28-I32 WeakPolarHBondContact O-CG1 3.36Å; L28-I32 PolarHBondContact O-N 3.34Å; I29-I32 PolarHBondContact O-N 3.38Å; M30-I32 PolarHBondContact O-N 3.12Å; I32-K35 PolarHBondContact O-N 2.89Å; I32-I36 HydrophobicContact CG2-CD1 4.04Å; I32-I36 VanDerWaalsContact O-CG1 3.23Å; I32-I36 WeakPolarHBondContact O-CG1 3.5Å; I32-I36 PolarHBondContact O-N 2.8Å; I32-L68 HydrophobicContact CB-CD1 4.26Å; I32-L68 HydrophobicContact CD1-CD1 4.2Å; I32-L68 HydrophobicContact CD1-CD2 4.04Å; I32-L68 HydrophobicContact CG2-CD1 4Å
33C96.3Very high94.1Very high6 Ų660 Ų604%0.04134%0.344CS..Hα-helixtrans-65.5-42.2178.4-65.30000112.6I29 M30 I36 G37 N75 C76I29-C33 PolarHBondContact O-N 3.19Å; I29-C33 PolarHBondContact O-SG 3.23Å; M30-C33 WeakPolarHBondContact O-CA 3.35Å; M30-C33 WeakPolarHBondContact O-CB 3.39Å; M30-C33 PolarHBondContact O-N 2.82Å; C33-I36 WeakPolarHBondContact O-CB 2.96Å; C33-I36 PolarHBondContact O-N 2.84Å; C33-G37 PolarHBondContact O-N 2.87Å; C33-N75 HydrophobicContact CB-CB 4.19Å; C33-C76 PolarHBondContact O-SG 3.49Å
34D95.8Very high94.3Very high115 Ų11558.1 Ų58.162%0.61533%0.327SS*.Hα-helixtrans-67.3-39.5175.1-74.8-21.2000111.7M30 I36 G37 T38M30-D34 PolarHBondContact O-N 3.28Å; D34-I36 VanDerWaalsContact C-N 3.28Å; D34-I36 PolarHBondContact O-N 2.85Å; D34-G37 PolarHBondContact O-N 3.42Å; D34-T38 PolarHBondContact O-N 3.19Å; D34-T38 VanDerWaalsContact O-N 3.11Å; D34-T38 PolarHBondContact O-OG1 2.87Å
35K95.1Very high94.5Very high58 Ų5857.8 Ų57.825%0.25233%0.326SS..Hα-helixtrans-63.1-32173.2-174.1175.8165.9172.20112.4P8 F9 D12 D31 I32 T38 T39P8-K35 WeakPolarHBondContact O-CE 3.46Å; P8-K35 PolarHBondContact O-NZ 2.89Å; F9-K35 HydrophobicContact CD1-CD 4.32Å; F9-K35 HydrophobicContact CD1-CG 4.42Å; F9-K35 HydrophobicContact CE1-CB 4.07Å; F9-K35 HydrophobicContact CE1-CD 4.02Å; F9-K35 HydrophobicContact CE1-CG 3.64Å; F9-K35 HydrophobicContact CZ-CG 4.12Å; D12-K35 IonicContact OD2-NZ 2.63Å; D12-K35 PolarHBondContact OD2-NZ 3.02Å; D31-K35 WeakPolarHBondContact O-CB 3.2Å; D31-K35 PolarHBondContact O-N 3.08Å; I32-K35 PolarHBondContact O-N 2.89Å; K35-T38 WeakPolarHBondContact CA-OG1 3.31Å; K35-T38 PolarHBondContact O-OG1 3.36Å; K35-T39 WeakPolarHBondContact O-CB 3.44Å; K35-T39 PolarHBondContact O-N 2.93Å; K35-T39 PolarHBondContact O-OG1 3.39Å
36I95.7Very high94.6Very high1 Ų154 Ų541%0.00531%0.305CS..Hα-helixtrans-65.7-45.7172.8-74.5165.6000111.2F9 I32 C33 D34 T38 P43 S46 C72 C76 F80F9-I36 HydrophobicContact CD1-CG1 4.3Å; F9-I36 HydrophobicContact CE1-CG1 3.6Å; F9-I36 HydrophobicContact CZ-CG1 4.03Å; I32-I36 HydrophobicContact CG2-CD1 4.04Å; I32-I36 VanDerWaalsContact O-CG1 3.23Å; I32-I36 WeakPolarHBondContact O-CG1 3.5Å; I32-I36 PolarHBondContact O-N 2.8Å; C33-I36 WeakPolarHBondContact O-CB 2.96Å; C33-I36 PolarHBondContact O-N 2.84Å; D34-I36 VanDerWaalsContact C-N 3.28Å; D34-I36 PolarHBondContact O-N 2.85Å; I36-T38 VanDerWaalsContact C-N 3.3Å; I36-T38 PolarHBondContact O-N 2.84Å; I36-P43 HydrophobicContact CG2-CB 4.27Å; I36-P43 HydrophobicContact CG2-CG 3.81Å; I36-S46 VanDerWaalsContact CD1-OG 3.22Å; I36-S46 WeakPolarHBondContact CD1-OG 3.48Å; I36-S46 VanDerWaalsContact CG1-CB 3.5Å; I36-S46 VanDerWaalsContact CG1-OG 3.31Å; I36-S46 WeakPolarHBondContact CG1-OG 3.33Å; I36-C72 HydrophobicContact CD1-CB 4.14Å; I36-C72 WeakPolarHBondContact CD1-SG 3.29Å; I36-C76 HydrophobicContact CG2-CB 3.9Å; I36-C76 VanDerWaalsContact CG2-SG 3.6Å; I36-F80 HydrophobicContact CD1-CD2 4.5Å; I36-F80 HydrophobicContact CD1-CE2 4.21Å; I36-F80 HydrophobicContact CG2-CD2 4.11Å
37G90.9Very high94.7Very high50 Ų5047.8 Ų47.852%0.51528%0.282SS..Hα-helixtrans-67.1-28.2-179.900000114.1C33 D34C33-G37 PolarHBondContact O-N 2.87Å; D34-G37 PolarHBondContact O-N 3.42Å
38T91.9Very high94.7Very high119 Ų11952.8 Ų52.873%0.7329%0.288SS*.Hα-helixtrans-95.9-12.8-176.350.30000114.9D34 K35 I36D34-T38 PolarHBondContact O-N 3.19Å; D34-T38 VanDerWaalsContact O-N 3.11Å; D34-T38 PolarHBondContact O-OG1 2.87Å; K35-T38 WeakPolarHBondContact CA-OG1 3.31Å; K35-T38 PolarHBondContact O-OG1 3.36Å; I36-T38 VanDerWaalsContact C-N 3.3Å; I36-T38 PolarHBondContact O-N 2.84Å
39T92.4Very high94.7Very high46 Ų4651.8 Ų51.828%0.28228%0.282SS..SBendtrans-98.5131.9-175.5-60.10000112.3F9 K35 N41 G42F9-T39 HydrophobicContact CE2-CG2 4.13Å; F9-T39 HydrophobicContact CZ-CG2 4.2Å; K35-T39 WeakPolarHBondContact O-CB 3.44Å; K35-T39 PolarHBondContact O-N 2.93Å; K35-T39 PolarHBondContact O-OG1 3.39Å; T39-N41 PolarHBondContact O-N 3.17Å; T39-G42 VanDerWaalsContact O-CA 3.32Å; T39-G42 WeakPolarHBondContact O-CA 3.45Å; T39-G42 PolarHBondContact O-N 3.21Å
40T88.5Confident94.7Very high125 Ų12551.6 Ų51.677%0.76728%0.282SS*.THydrogen-bonded Turntrans-60.4126.2170-51.60000110.8G42T40-G42 PolarHBondContact O-N 2.99Å
41N90.8Very high94.7Very high107 Ų10748.9 Ų48.957%0.57227%0.268SS*.THydrogen-bonded Turntrans62.211.1-167.5-53.2-42.4000115.2T39 K44 D45T39-N41 PolarHBondContact O-N 3.17Å; N41-K44 WeakPolarHBondContact O-CB 3.45Å; N41-K44 PolarHBondContact O-N 2.67Å; N41-D45 PolarHBondContact O-N 3.24Å; N41-D45 VanDerWaalsContact O-N 3.11Å
42G93.9Very high94.7Very high0 Ų050 Ų500%027%0.268CS..Hα-helixtrans-43.5-53.9-178.600000114.2T39 T40 K44 D45 S46T39-G42 VanDerWaalsContact O-CA 3.32Å; T39-G42 WeakPolarHBondContact O-CA 3.45Å; T39-G42 PolarHBondContact O-N 3.21Å; T40-G42 PolarHBondContact O-N 2.99Å; G42-K44 VanDerWaalsContact C-N 3.31Å; G42-K44 PolarHBondContact O-N 3.07Å; G42-D45 PolarHBondContact O-N 3Å; G42-S46 VanDerWaalsContact O-CB 3.27Å; G42-S46 WeakPolarHBondContact O-CB 3.44Å; G42-S46 PolarHBondContact O-N 2.98Å; G42-S46 PolarHBondContact O-OG 3.17Å
43P95.3Very high94.7Very high14 Ų1451.2 Ų51.29%0.09127%0.272CS..Hα-helixtrans-58.1-36.7178.6-28.636.4000115.1I36 S46 L47 I79 F80 E83I36-P43 HydrophobicContact CG2-CB 4.27Å; I36-P43 HydrophobicContact CG2-CG 3.81Å; P43-S46 PolarHBondContact O-OG 2.82Å; P43-L47 WeakPolarHBondContact O-CB 3.14Å; P43-L47 PolarHBondContact O-N 2.89Å; P43-L47 VanDerWaalsContact O-N 3.16Å; P43-I79 WeakPolarHBondContact CB-O 3.39Å; P43-I79 HydrophobicContact CG-CB 4.19Å; P43-I79 HydrophobicContact CG-CD1 3.96Å; P43-I79 HydrophobicContact CG-CG1 4.04Å; P43-F80 HydrophobicContact CB-CB 4.41Å; P43-F80 HydrophobicContact CB-CD2 3.84Å; P43-E83 HydrophobicContact CB-CG 4.07Å
44K94.8Very high94.7Very high65 Ų6550.9 Ų50.928%0.28327%0.27SS..Hα-helixtrans-75.4-45.7-176.6-175.3171.6-13565.20111.6N41 G42 R48 E83N41-K44 WeakPolarHBondContact O-CB 3.45Å; N41-K44 PolarHBondContact O-N 2.67Å; G42-K44 VanDerWaalsContact C-N 3.31Å; G42-K44 PolarHBondContact O-N 3.07Å; K44-R48 WeakPolarHBondContact O-CD 3.4Å; K44-R48 VanDerWaalsContact O-CG 3.26Å; K44-R48 WeakPolarHBondContact O-CG 3.5Å; K44-R48 PolarHBondContact O-N 2.79Å; K44-R48 VanDerWaalsContact O-N 3.15Å; K44-E83 HydrophobicContact CB-CG 4.23Å; K44-E83 WeakPolarHBondContact CG-OE2 3.41Å; K44-E83 IonicContact NZ-OE1 3.4Å; K44-E83 PolarHBondContact NZ-OE1 3.09Å; K44-E83 IonicContact NZ-OE2 2.69Å; K44-E83 PolarHBondContact NZ-OE2 3.43Å
45D95.3Very high94.6Very high39 Ų3948.1 Ų48.121%0.20926%0.255CS..Hα-helixtrans-78.7-33.7-176.6-69.3-34.1000111.5N7 F9 N41 G42 R48 S49N7-D45 PolarHBondContact ND2-O 2.59Å; F9-D45 HydrophobicContact CD2-CB 4.26Å; N41-D45 PolarHBondContact O-N 3.24Å; N41-D45 VanDerWaalsContact O-N 3.11Å; G42-D45 PolarHBondContact O-N 3Å; D45-R48 PolarHBondContact O-N 3.23Å; D45-R48 IonicContact OD1-NH1 3.22Å; D45-R48 PolarHBondContact OD1-NH1 3.28Å; D45-S49 PolarHBondContact O-N 2.84Å
46S96.5Very high94.7Very high0 Ų048.6 Ų48.60%026%0.259CS..Hα-helixtrans-63.7-47.4169.367.10000112.1I36 G42 P43 R48 S49 I50I36-S46 VanDerWaalsContact CD1-OG 3.22Å; I36-S46 WeakPolarHBondContact CD1-OG 3.48Å; I36-S46 VanDerWaalsContact CG1-CB 3.5Å; I36-S46 VanDerWaalsContact CG1-OG 3.31Å; I36-S46 WeakPolarHBondContact CG1-OG 3.33Å; G42-S46 VanDerWaalsContact O-CB 3.27Å; G42-S46 WeakPolarHBondContact O-CB 3.44Å; G42-S46 PolarHBondContact O-N 2.98Å; G42-S46 PolarHBondContact O-OG 3.17Å; P43-S46 PolarHBondContact O-OG 2.82Å; S46-R48 VanDerWaalsContact C-N 3.3Å; S46-R48 PolarHBondContact O-N 2.75Å; S46-S49 WeakPolarHBondContact O-CA 3.46Å; S46-S49 WeakPolarHBondContact O-CB 3.45Å; S46-S49 PolarHBondContact O-N 2.81Å; S46-I50 VanDerWaalsContact O-CG1 3.28Å; S46-I50 WeakPolarHBondContact O-CG1 3.34Å; S46-I50 PolarHBondContact O-N 3.28Å
47L97.1Very high94.5Very high10 Ų1058.1 Ų58.15%0.05230%0.3CS..Hα-helixtrans-57.8-42.1177.9-179.960.6000111.8P43 S49 I50 M51 L69 F80 E83 I84 F89P43-L47 WeakPolarHBondContact O-CB 3.14Å; P43-L47 PolarHBondContact O-N 2.89Å; P43-L47 VanDerWaalsContact O-N 3.16Å; L47-S49 VanDerWaalsContact C-N 3.34Å; L47-S49 PolarHBondContact O-N 3.32Å; L47-I50 PolarHBondContact O-N 3.27Å; L47-M51 HydrophobicContact CD1-CG 3.94Å; L47-M51 HydrophobicContact CG-CG 4.4Å; L47-M51 WeakPolarHBondContact O-CB 3.5Å; L47-M51 WeakPolarHBondContact O-CG 3.3Å; L47-M51 PolarHBondContact O-N 3.27Å; L47-L69 HydrophobicContact CD1-CD1 3.49Å; L47-L69 VanDerWaalsContact CD1-CD1 3.49Å; L47-F80 HydrophobicContact CB-CE2 4.21Å; L47-F80 HydrophobicContact CB-CZ 4.25Å; L47-F80 HydrophobicContact CD1-CZ 4.14Å; L47-E83 HydrophobicContact CD2-CB 3.82Å; L47-E83 VanDerWaalsContact CD2-O 3.32Å; L47-E83 WeakPolarHBondContact CD2-O 3.2Å; L47-I84 HydrophobicContact CD1-CD1 3.7Å; L47-I84 HydrophobicContact CD2-CD1 4.18Å; L47-F89 HydrophobicContact CD1-CD2 4.06Å; L47-F89 HydrophobicContact CD1-CE2 4.24Å; L47-F89 HydrophobicContact CD2-CD2 4.26Å
48R95.6Very high94.7Very high150 Ų15058 Ų5857%0.56629%0.289SS*.Hα-helixtrans-60-41.8173.2-76.5165.9162.9-177.8-8.4112.8K44 D45 S46 K52K44-R48 WeakPolarHBondContact O-CD 3.4Å; K44-R48 VanDerWaalsContact O-CG 3.26Å; K44-R48 WeakPolarHBondContact O-CG 3.5Å; K44-R48 PolarHBondContact O-N 2.79Å; K44-R48 VanDerWaalsContact O-N 3.15Å; D45-R48 PolarHBondContact O-N 3.23Å; D45-R48 IonicContact OD1-NH1 3.22Å; D45-R48 PolarHBondContact OD1-NH1 3.28Å; S46-R48 VanDerWaalsContact C-N 3.3Å; S46-R48 PolarHBondContact O-N 2.75Å; R48-K52 WeakPolarHBondContact O-CB 3.24Å; R48-K52 PolarHBondContact O-N 2.96Å
49S96.6Very high94.8Very high3 Ų354.9 Ų54.92%0.02127%0.27CS..Hα-helixtrans-66.5-44.5177.5-161.70000111.7D10 D45 S46 L47 K52 R53D10-S49 WeakPolarHBondContact CA-OG 3.42Å; D10-S49 WeakPolarHBondContact OD1-CB 3.31Å; D10-S49 PolarHBondContact OD1-OG 3.32Å; D45-S49 PolarHBondContact O-N 2.84Å; S46-S49 WeakPolarHBondContact O-CA 3.46Å; S46-S49 WeakPolarHBondContact O-CB 3.45Å; S46-S49 PolarHBondContact O-N 2.81Å; L47-S49 VanDerWaalsContact C-N 3.34Å; L47-S49 PolarHBondContact O-N 3.32Å; S49-K52 WeakPolarHBondContact O-CB 3.29Å; S49-K52 PolarHBondContact O-N 3.07Å; S49-R53 PolarHBondContact O-N 3.14Å
50I97.5Very high94.9Very high0 Ų056.5 Ų56.50%028%0.275CS..Hα-helixtrans-63.8-49.5179.1-65.9162.9000110.4V13 S46 L47 K52 R53 V54 A65 L68 L69V13-I50 HydrophobicContact CG1-CG1 4.16Å; V13-I50 HydrophobicContact CG2-CG1 4.19Å; S46-I50 VanDerWaalsContact O-CG1 3.28Å; S46-I50 WeakPolarHBondContact O-CG1 3.34Å; S46-I50 PolarHBondContact O-N 3.28Å; L47-I50 PolarHBondContact O-N 3.27Å; I50-K52 VanDerWaalsContact C-N 3.26Å; I50-K52 PolarHBondContact O-N 3.06Å; I50-R53 CarbonylContact O-C 3.53Å; I50-R53 WeakPolarHBondContact O-CA 3.44Å; I50-R53 WeakPolarHBondContact O-CB 3.29Å; I50-R53 PolarHBondContact O-N 3.35Å; I50-V54 HydrophobicContact CG2-CG2 4.3Å; I50-V54 PolarHBondContact O-N 3.35Å; I50-A65 WeakPolarHBondContact CG2-O 3.47Å; I50-L68 HydrophobicContact CD1-CD2 4.34Å; I50-L68 HydrophobicContact CD1-CG 4.06Å; I50-L68 HydrophobicContact CG1-CD2 3.97Å; I50-L68 HydrophobicContact CG1-CG 4.15Å; I50-L69 HydrophobicContact CG2-CB 3.81Å; I50-L69 HydrophobicContact CG2-CD1 3.96Å; I50-L69 HydrophobicContact CG2-CG 4.39Å
51M96.5Very high95.3Very high11 Ų1150.6 Ų50.65%0.05424%0.239CC..Hα-helixtrans-65.8-27.1-179.6-67.2-53.9-66.600113.7L47 R53 V54 N55 L69 F89 E92 V96L47-M51 HydrophobicContact CD1-CG 3.94Å; L47-M51 HydrophobicContact CG-CG 4.4Å; L47-M51 WeakPolarHBondContact O-CB 3.5Å; L47-M51 WeakPolarHBondContact O-CG 3.3Å; L47-M51 PolarHBondContact O-N 3.27Å; M51-R53 VanDerWaalsContact C-N 3.27Å; M51-R53 PolarHBondContact O-N 3.38Å; M51-V54 HydrophobicContact CE-CB 4.34Å; M51-V54 HydrophobicContact CE-CG1 4.31Å; M51-V54 PolarHBondContact O-N 3.06Å; M51-V54 HydrophobicContact SD-CB 4.28Å; M51-V54 HydrophobicContact SD-CG2 3.98Å; M51-N55 PolarHBondContact O-N 3.06Å; M51-N55 VanDerWaalsContact O-N 3.08Å; M51-N55 PolarHBondContact O-ND2 2.86Å; M51-L69 HydrophobicContact SD-CD2 4Å; M51-F89 HydrophobicContact CE-CE2 4.14Å; M51-F89 HydrophobicContact CG-CD2 4.43Å; M51-F89 HydrophobicContact CG-CE2 4.47Å; M51-F89 HydrophobicContact SD-CD2 4.28Å; M51-F89 HydrophobicContact SD-CE2 3.76Å; M51-E92 HydrophobicContact CB-CG 4.03Å; M51-E92 HydrophobicContact CE-CB 4.09Å; M51-E92 HydrophobicContact CE-CG 3.64Å; M51-E92 HydrophobicContact CG-CG 4.42Å; M51-V96 HydrophobicContact CE-CG2 4.01Å
52K95.6Very high95.6Very high128 Ų12845.6 Ų45.656%0.55721%0.212SC*.Hα-helixtrans-64.1-28.6168.5169-174.1169.2-174.10112.3D10 R48 S49 I50D10-K52 IonicContact OD1-NZ 3.88Å; D10-K52 IonicContact OD2-NZ 3.77Å; D10-K52 PolarHBondContact OD2-NZ 3.27Å; R48-K52 WeakPolarHBondContact O-CB 3.24Å; R48-K52 PolarHBondContact O-N 2.96Å; S49-K52 WeakPolarHBondContact O-CB 3.29Å; S49-K52 PolarHBondContact O-N 3.07Å; I50-K52 VanDerWaalsContact C-N 3.26Å; I50-K52 PolarHBondContact O-N 3.06Å
53R96.3Very high95.7Very high28 Ų2847.6 Ų47.611%0.10622%0.222CC..Hα-helixtrans-87.9-31171.9-56.6-62.6-73.8-163.2-4.8113.3V13 E14 T17 S49 I50 M51 N55 H56 V61 A65V13-R53 HydrophobicContact CG1-CG 3.81Å; E14-R53 IonicContact OE1-CZ 2.65Å; E14-R53 IonicContact OE1-NH1 3.81Å; E14-R53 PolarHBondContact OE1-NH1 2.84Å; E14-R53 IonicContact OE1-NH2 2.71Å; T17-R53 HydrophobicContact CG2-CB 4.43Å; T17-R53 PolarHBondContact O-NH2 3.22Å; T17-R53 WeakPolarHBondContact OG1-CG 3.41Å; T17-R53 PolarHBondContact OG1-NE 2.96Å; S49-R53 PolarHBondContact O-N 3.14Å; I50-R53 CarbonylContact O-C 3.53Å; I50-R53 WeakPolarHBondContact O-CA 3.44Å; I50-R53 WeakPolarHBondContact O-CB 3.29Å; I50-R53 PolarHBondContact O-N 3.35Å; M51-R53 VanDerWaalsContact C-N 3.27Å; M51-R53 PolarHBondContact O-N 3.38Å; R53-N55 PolarHBondContact O-N 2.7Å; R53-H56 WeakPolarHBondContact O-CB 3.15Å; R53-H56 PolarHBondContact O-N 3.22Å; R53-V61 HydrophobicContact CB-CG1 4.31Å; R53-A65 HydrophobicContact CB-CB 3.64Å
54V97Very high95.8Very high0 Ų047.2 Ų47.20%022%0.219CC..Hα-helixtrans-61-34.8170.8179.40000111.2I50 M51 H56 A62 A65 L66 V96 V104I50-V54 HydrophobicContact CG2-CG2 4.3Å; I50-V54 PolarHBondContact O-N 3.35Å; M51-V54 HydrophobicContact CE-CB 4.34Å; M51-V54 HydrophobicContact CE-CG1 4.31Å; M51-V54 PolarHBondContact O-N 3.06Å; M51-V54 HydrophobicContact SD-CB 4.28Å; M51-V54 HydrophobicContact SD-CG2 3.98Å; V54-H56 PolarHBondContact O-N 3.43Å; V54-A62 WeakPolarHBondContact O-CB 3.16Å; V54-A65 HydrophobicContact CB-CB 4.41Å; V54-A65 HydrophobicContact CG2-CB 3.61Å; V54-L66 HydrophobicContact CG1-CD2 3.93Å; V54-L66 HydrophobicContact CG1-CG 4.28Å; V54-L66 HydrophobicContact CG2-CD2 3.89Å; V54-L66 HydrophobicContact CG2-CG 4.28Å; V54-V96 HydrophobicContact CG1-CG1 3.92Å; V54-V96 HydrophobicContact CG1-CG2 3.81Å; V54-V104 HydrophobicContact CG1-CG1 4.37Å
55N94.6Very high95.9Very high56 Ų5644.1 Ų44.130%0.29921%0.206SC..THydrogen-bonded Turntrans-79.59.4172.3-81-85.6000114.5M51 R53 E92 V96M51-N55 PolarHBondContact O-N 3.06Å; M51-N55 VanDerWaalsContact O-N 3.08Å; M51-N55 PolarHBondContact O-ND2 2.86Å; R53-N55 PolarHBondContact O-N 2.7Å; N55-E92 PolarHBondContact ND2-OE1 3.39Å; N55-E92 PolarHBondContact OD1-OE1 2.92Å; N55-V96 WeakPolarHBondContact ND2-CG2 3.26Å
56H95.4Very high96Very high69 Ų6942.3 Ų42.332%0.31920%0.196SC..  trans-70.9147.1-178.3-164.8-116.7000112.3R53 V54 V58 V61R53-H56 WeakPolarHBondContact O-CB 3.15Å; R53-H56 PolarHBondContact O-N 3.22Å; V54-H56 PolarHBondContact O-N 3.43Å; H56-V58 VanDerWaalsContact C-N 3.26Å; H56-V58 PolarHBondContact ND1-N 3.42Å; H56-V58 PolarHBondContact O-N 2.97Å; H56-V61 HydrophobicContact CB-CB 4.12Å; H56-V61 HydrophobicContact CB-CG1 3.61Å; H56-V61 WeakPolarHBondContact ND1-CB 3.5Å
57K92.3Very high96Very high201 Ų20143.5 Ų43.587%0.87420%0.202SC*.SBendtrans-66.8-26-177.3-65.9-176.7179.3-179.80113.6P59K57-P59 WeakPolarHBondContact O-CD 3.25Å
58V94.7Very high96.1Very high48 Ų4843 Ų4329%0.29120%0.2SC..SBendtrans-87.6116.9178.5-179.70000108.6H56 H60 V61 A62H56-V58 VanDerWaalsContact C-N 3.26Å; H56-V58 PolarHBondContact ND1-N 3.42Å; H56-V58 PolarHBondContact O-N 2.97Å; V58-H60 HydrophobicContact CG1-CB 4.07Å; V58-H60 PolarHBondContact O-N 2.82Å; V58-V61 HydrophobicContact CB-CB 4.39Å; V58-V61 HydrophobicContact CB-CG2 4.09Å; V58-V61 HydrophobicContact CG1-CG2 4.22Å; V58-V61 PolarHBondContact O-N 3.41Å; V58-A62 PolarHBondContact O-N 3.08Å
59P94.4Very high96.2Very high52 Ų5235.9 Ų35.934%0.33817%0.173SC..Hα-helixtrans-62.2-25.8-175.6-25.335.5000114.3K57 A62 M63 H101 V104K57-P59 WeakPolarHBondContact O-CD 3.25Å; P59-A62 PolarHBondContact O-N 3.41Å; P59-M63 WeakPolarHBondContact O-CB 3.4Å; P59-M63 PolarHBondContact O-N 3.19Å; P59-H101 HydrophobicContact CB-CB 3.9Å; P59-H101 HydrophobicContact CG-CB 3.81Å; P59-V104 HydrophobicContact CB-CG2 4.5Å
60H94.6Very high96.2Very high81 Ų8136.5 Ų36.538%0.37518%0.18SC..Hα-helixtrans-62.9-53.9175.2-169.253000111.5N21 V58 A62 M63 Q64N21-H60 PolarHBondContact O-NE2 3.49Å; V58-H60 HydrophobicContact CG1-CB 4.07Å; V58-H60 PolarHBondContact O-N 2.82Å; H60-A62 VanDerWaalsContact C-N 3.27Å; H60-A62 PolarHBondContact O-N 2.95Å; H60-M63 WeakPolarHBondContact O-CA 3.43Å; H60-M63 WeakPolarHBondContact O-CB 3.49Å; H60-M63 PolarHBondContact O-N 3.12Å; H60-Q64 VanDerWaalsContact C-OE1 3.31Å; H60-Q64 PolarHBondContact CD2-OE1 3.43Å; H60-Q64 VanDerWaalsContact CD2-OE1 3.31Å; H60-Q64 WeakPolarHBondContact O-CG 3.43Å; H60-Q64 PolarHBondContact O-N 2.75Å; H60-Q64 PolarHBondContact O-OE1 3.21Å
61V96.4Very high96.1Very high1 Ų136.9 Ų36.91%0.00618%0.182CC..Hα-helixtrans-54.3-43.2174.5172.90000111.8T17 E19 R53 H56 V58 A65T17-V61 WeakPolarHBondContact O-CG1 3.1Å; T17-V61 WeakPolarHBondContact O-CG2 3.44Å; E19-V61 HydrophobicContact CB-CG2 3.7Å; R53-V61 HydrophobicContact CB-CG1 4.31Å; H56-V61 HydrophobicContact CB-CB 4.12Å; H56-V61 HydrophobicContact CB-CG1 3.61Å; H56-V61 WeakPolarHBondContact ND1-CB 3.5Å; V58-V61 HydrophobicContact CB-CB 4.39Å; V58-V61 HydrophobicContact CB-CG2 4.09Å; V58-V61 HydrophobicContact CG1-CG2 4.22Å; V58-V61 PolarHBondContact O-N 3.41Å; V61-A65 WeakPolarHBondContact O-CB 3.42Å; V61-A65 PolarHBondContact O-N 2.99Å
62A96.7Very high96.2Very high2 Ų236.3 Ų36.32%0.01718%0.18CC..Hα-helixtrans-68.4-33.917800000112.9V54 V58 P59 H60 A65 L66 V104V54-A62 WeakPolarHBondContact O-CB 3.16Å; V58-A62 PolarHBondContact O-N 3.08Å; P59-A62 PolarHBondContact O-N 3.41Å; H60-A62 VanDerWaalsContact C-N 3.27Å; H60-A62 PolarHBondContact O-N 2.95Å; A62-A65 PolarHBondContact O-N 3.39Å; A62-L66 PolarHBondContact O-N 2.71Å; A62-L66 VanDerWaalsContact O-N 3.09Å; A62-V104 HydrophobicContact CB-CG1 4Å; A62-V104 HydrophobicContact CB-CG2 3.87Å
63M96.2Very high96.2Very high41 Ų4130.5 Ų30.520%0.20216%0.155CC..Hα-helixtrans-67.4-46.1174.6-17160.450.400111.5P59 H60 A65 L66 N67 K103 V104 K107P59-M63 WeakPolarHBondContact O-CB 3.4Å; P59-M63 PolarHBondContact O-N 3.19Å; H60-M63 WeakPolarHBondContact O-CA 3.43Å; H60-M63 WeakPolarHBondContact O-CB 3.49Å; H60-M63 PolarHBondContact O-N 3.12Å; M63-A65 VanDerWaalsContact C-N 3.29Å; M63-A65 PolarHBondContact O-N 2.75Å; M63-L66 PolarHBondContact O-N 2.77Å; M63-L66 VanDerWaalsContact O-N 3.13Å; M63-N67 PolarHBondContact O-N 2.85Å; M63-N67 PolarHBondContact O-OD1 2.89Å; M63-K103 HydrophobicContact CE-CB 4.47Å; M63-K103 HydrophobicContact CE-CG 4.05Å; M63-V104 HydrophobicContact CE-CG2 4.14Å; M63-K107 HydrophobicContact SD-CB 4.42Å; M63-K107 HydrophobicContact SD-CD 3.48Å; M63-K107 WeakPolarHBondContact SD-CD 3.38Å
64Q97Very high96.2Very high7 Ų733.3 Ų33.33%0.03318%0.179CC..Hα-helixtrans-61.8-38174.1-63.1163.6-84.900111.4A16 T17 N18 H60 L66 N67 L68A16-Q64 PolarHBondContact O-NE2 3.28Å; T17-Q64 HydrophobicContact CG2-CB 4.07Å; N18-Q64 PolarHBondContact O-NE2 2.85Å; N18-Q64 PolarHBondContact O-OE1 2.92Å; H60-Q64 VanDerWaalsContact C-OE1 3.31Å; H60-Q64 PolarHBondContact CD2-OE1 3.43Å; H60-Q64 VanDerWaalsContact CD2-OE1 3.31Å; H60-Q64 WeakPolarHBondContact O-CG 3.43Å; H60-Q64 PolarHBondContact O-N 2.75Å; H60-Q64 PolarHBondContact O-OE1 3.21Å; Q64-L66 VanDerWaalsContact C-N 3.3Å; Q64-L66 PolarHBondContact O-N 3.38Å; Q64-N67 WeakPolarHBondContact O-CB 3.37Å; Q64-N67 PolarHBondContact O-N 3.09Å; Q64-N67 VanDerWaalsContact O-N 3.17Å; Q64-L68 PolarHBondContact O-N 2.88Å
65A97.8Very high96.1Very high0 Ų037.7 Ų37.70%020%0.202CC..Hα-helixtrans-64.3-34.417500000112.4T17 I50 R53 V54 V61 A62 M63 L69T17-A65 HydrophobicContact CG2-CB 3.9Å; I50-A65 WeakPolarHBondContact CG2-O 3.47Å; R53-A65 HydrophobicContact CB-CB 3.64Å; V54-A65 HydrophobicContact CB-CB 4.41Å; V54-A65 HydrophobicContact CG2-CB 3.61Å; V61-A65 WeakPolarHBondContact O-CB 3.42Å; V61-A65 PolarHBondContact O-N 2.99Å; A62-A65 PolarHBondContact O-N 3.39Å; M63-A65 VanDerWaalsContact C-N 3.29Å; M63-A65 PolarHBondContact O-N 2.75Å; A65-L69 VanDerWaalsContact O-CB 3.29Å; A65-L69 WeakPolarHBondContact O-CB 3.35Å; A65-L69 PolarHBondContact O-N 3.49Å
66L97.6Very high96Very high0 Ų035.8 Ų35.80%019%0.193CC..Hα-helixtrans-72.6-33.4170.7-70-179.6000112.9V54 A62 M63 Q64 L69 G70 V104 K107 L108 M111V54-L66 HydrophobicContact CG1-CD2 3.93Å; V54-L66 HydrophobicContact CG1-CG 4.28Å; V54-L66 HydrophobicContact CG2-CD2 3.89Å; V54-L66 HydrophobicContact CG2-CG 4.28Å; A62-L66 PolarHBondContact O-N 2.71Å; A62-L66 VanDerWaalsContact O-N 3.09Å; M63-L66 PolarHBondContact O-N 2.77Å; M63-L66 VanDerWaalsContact O-N 3.13Å; Q64-L66 VanDerWaalsContact C-N 3.3Å; Q64-L66 PolarHBondContact O-N 3.38Å; L66-L69 HydrophobicContact CD2-CD2 3.98Å; L66-L69 PolarHBondContact O-N 2.9Å; L66-G70 PolarHBondContact O-N 3.47Å; L66-V104 HydrophobicContact CD1-CB 4.49Å; L66-V104 HydrophobicContact CD1-CG1 3.64Å; L66-V104 WeakPolarHBondContact CD1-O 3.31Å; L66-V104 HydrophobicContact CG-CG1 4.4Å; L66-K107 HydrophobicContact CB-CD 4.23Å; L66-K107 HydrophobicContact CB-CG 4.48Å; L66-K107 HydrophobicContact CD1-CB 3.96Å; L66-K107 HydrophobicContact CD1-CD 4.43Å; L66-K107 HydrophobicContact CD1-CG 4.06Å; L66-L108 HydrophobicContact CD1-CB 4.2Å; L66-L108 HydrophobicContact CD2-CB 4.32Å; L66-L108 HydrophobicContact CD2-CD1 4.06Å; L66-M111 HydrophobicContact CB-CE 4.46Å; L66-M111 HydrophobicContact CB-SD 4.09Å; L66-M111 HydrophobicContact CD2-CE 4.46Å; L66-M111 HydrophobicContact CD2-SD 4.45Å; L66-M111 VanDerWaalsContact O-CE 3.26Å; L66-M111 WeakPolarHBondContact O-CE 3.46Å
67N96.9Very high95.9Very high25 Ų2533.7 Ų33.713%0.13419%0.19CC..Hα-helixtrans-60.4-50.5172.4-66-17.7000110.8D24 M63 Q64 G70 A71 K107D24-N67 PolarHBondContact OD1-ND2 2.71Å; D24-N67 PolarHBondContact OD2-ND2 2.88Å; M63-N67 PolarHBondContact O-N 2.85Å; M63-N67 PolarHBondContact O-OD1 2.89Å; Q64-N67 WeakPolarHBondContact O-CB 3.37Å; Q64-N67 PolarHBondContact O-N 3.09Å; Q64-N67 VanDerWaalsContact O-N 3.17Å; N67-G70 PolarHBondContact O-N 3.22Å; N67-A71 PolarHBondContact O-N 2.84Å; N67-K107 PolarHBondContact OD1-NZ 2.82Å
68L97.8Very high95.9Very high1 Ų128.4 Ų28.41%0.00517%0.167CC..Hα-helixtrans-61.1-4317517657.1000112V13 A16 T17 I29 I32 I50 Q64 G70 A71 C72V13-L68 HydrophobicContact CB-CD2 4.45Å; V13-L68 HydrophobicContact CG1-CD2 4.19Å; V13-L68 HydrophobicContact CG2-CD2 4.11Å; A16-L68 HydrophobicContact CB-CD2 4.3Å; T17-L68 HydrophobicContact CG2-CD2 4.43Å; I29-L68 HydrophobicContact CB-CD1 4.32Å; I29-L68 HydrophobicContact CG1-CD1 4.17Å; I29-L68 HydrophobicContact CG2-CD1 3.98Å; I32-L68 HydrophobicContact CB-CD1 4.26Å; I32-L68 HydrophobicContact CD1-CD1 4.2Å; I32-L68 HydrophobicContact CD1-CD2 4.04Å; I32-L68 HydrophobicContact CG2-CD1 4Å; I50-L68 HydrophobicContact CD1-CD2 4.34Å; I50-L68 HydrophobicContact CD1-CG 4.06Å; I50-L68 HydrophobicContact CG1-CD2 3.97Å; I50-L68 HydrophobicContact CG1-CG 4.15Å; Q64-L68 PolarHBondContact O-N 2.88Å; L68-G70 VanDerWaalsContact C-N 3.33Å; L68-G70 PolarHBondContact O-N 3.5Å; L68-A71 PolarHBondContact O-N 3.3Å; L68-C72 PolarHBondContact O-N 2.99Å; L68-C72 PolarHBondContact O-SG 3.01Å
69L97.9Very high95.8Very high0 Ų030.6 Ų30.60%018%0.176CC..Hα-helixtrans-58-44.6176.1-17363.9000112L47 I50 M51 A65 L66 C72 V73 F80 I84 F89 M111 W115L47-L69 HydrophobicContact CD1-CD1 3.49Å; L47-L69 VanDerWaalsContact CD1-CD1 3.49Å; I50-L69 HydrophobicContact CG2-CB 3.81Å; I50-L69 HydrophobicContact CG2-CD1 3.96Å; I50-L69 HydrophobicContact CG2-CG 4.39Å; M51-L69 HydrophobicContact SD-CD2 4Å; A65-L69 VanDerWaalsContact O-CB 3.29Å; A65-L69 WeakPolarHBondContact O-CB 3.35Å; A65-L69 PolarHBondContact O-N 3.49Å; L66-L69 HydrophobicContact CD2-CD2 3.98Å; L66-L69 PolarHBondContact O-N 2.9Å; L69-C72 PolarHBondContact O-N 2.87Å; L69-V73 WeakPolarHBondContact O-CG2 3.28Å; L69-V73 PolarHBondContact O-N 3.06Å; L69-V73 VanDerWaalsContact O-N 3.08Å; L69-F80 HydrophobicContact CD1-CE1 4.24Å; L69-F80 HydrophobicContact CD1-CZ 4.15Å; L69-I84 HydrophobicContact CD1-CD1 3.96Å; L69-F89 HydrophobicContact CD2-CE2 4.23Å; L69-F89 HydrophobicContact CD2-CZ 4.47Å; L69-M111 HydrophobicContact CB-CE 4.26Å; L69-M111 HydrophobicContact CD2-CE 4.35Å; L69-M111 HydrophobicContact CG-CE 4.38Å; L69-W115 HydrophobicContact CD2-CH2 3.91Å; L69-W115 HydrophobicContact CG-CH2 3.95Å
70G96.8Very high95.9Very high16 Ų1628.1 Ų28.117%0.16516%0.16CC..Hα-helixtrans-59.6-50.1175.100000111.9L66 N67 L68 C72 V73 S74L66-G70 PolarHBondContact O-N 3.47Å; N67-G70 PolarHBondContact O-N 3.22Å; L68-G70 VanDerWaalsContact C-N 3.33Å; L68-G70 PolarHBondContact O-N 3.5Å; G70-C72 VanDerWaalsContact C-N 3.31Å; G70-C72 PolarHBondContact O-N 3.39Å; G70-V73 PolarHBondContact O-N 2.96Å; G70-S74 PolarHBondContact O-N 3.07Å; G70-S74 PolarHBondContact O-OG 2.95Å
71A96.6Very high96Very high7 Ų725.8 Ų25.86%0.05815%0.149CC..Hα-helixtrans-57.5-41.3177.500000112.8W26 I29 N67 L68 S74 N75W26-A71 HydrophobicContact CZ3-CB 4.19Å; I29-A71 HydrophobicContact CG2-CB 3.37Å; N67-A71 PolarHBondContact O-N 2.84Å; L68-A71 PolarHBondContact O-N 3.3Å; A71-S74 PolarHBondContact O-N 3.16Å; A71-N75 WeakPolarHBondContact O-CB 3.47Å; A71-N75 PolarHBondContact O-N 3.49Å; A71-N75 PolarHBondContact O-ND2 3.34Å
72C96.9Very high95.9Very high0 Ų029.3 Ų29.30%017%0.168CC..Hα-helixtrans-65.8-36175.4-61.90000112.7I36 L68 L69 G70 C76 F80I36-C72 HydrophobicContact CD1-CB 4.14Å; I36-C72 WeakPolarHBondContact CD1-SG 3.29Å; L68-C72 PolarHBondContact O-N 2.99Å; L68-C72 PolarHBondContact O-SG 3.01Å; L69-C72 PolarHBondContact O-N 2.87Å; G70-C72 VanDerWaalsContact C-N 3.31Å; G70-C72 PolarHBondContact O-N 3.39Å; C72-C76 WeakPolarHBondContact O-CB 3.23Å; C72-C76 PolarHBondContact O-N 2.94Å; C72-C76 PolarHBondContact O-SG 2.93Å; C72-F80 HydrophobicContact CB-CD1 4.12Å; C72-F80 HydrophobicContact CB-CD2 4.31Å; C72-F80 HydrophobicContact CB-CE1 3.61Å; C72-F80 HydrophobicContact CB-CE2 3.86Å; C72-F80 HydrophobicContact CB-CG 4.45Å; C72-F80 HydrophobicContact CB-CZ 3.48Å; C72-F80 VanDerWaalsContact CB-CZ 3.48Å
73V96.6Very high95.8Very high6 Ų631.3 Ų31.34%0.03618%0.177CC..Hα-helixtrans-66.8-42.9173.8175.20000111.7L69 G70 F80 H81 I84 W115 F119L69-V73 WeakPolarHBondContact O-CG2 3.28Å; L69-V73 PolarHBondContact O-N 3.06Å; L69-V73 VanDerWaalsContact O-N 3.08Å; G70-V73 PolarHBondContact O-N 2.96Å; V73-F80 HydrophobicContact CG2-CD1 3.83Å; V73-F80 HydrophobicContact CG2-CE1 3.68Å; V73-H81 PolarHBondContact O-NE2 3.3Å; V73-I84 HydrophobicContact CG2-CD1 4.1Å; V73-I84 HydrophobicContact CG2-CG1 3.85Å; V73-W115 HydrophobicContact CB-CZ2 4Å; V73-W115 HydrophobicContact CG1-CD2 4.17Å; V73-W115 HydrophobicContact CG1-CG 4.19Å; V73-W115 HydrophobicContact CG1-CZ2 4.35Å; V73-W115 HydrophobicContact CG2-CD2 4.37Å; V73-W115 HydrophobicContact CG2-CH2 3.88Å; V73-W115 HydrophobicContact CG2-CZ2 3.54Å; V73-W115 HydrophobicContact CG2-CZ3 4.41Å; V73-F119 HydrophobicContact CG1-CE1 4.49Å; V73-F119 HydrophobicContact CG1-CZ 3.97Å
74S95.4Very high95.8Very high86 Ų8629.4 Ų29.460%0.60117%0.167SC*.Hα-helixtrans-66.9-42.7179.3-54.40000112.7G70 A71G70-S74 PolarHBondContact O-N 3.07Å; G70-S74 PolarHBondContact O-OG 2.95Å; A71-S74 PolarHBondContact O-N 3.16Å
75N95.3Very high95.7Very high93 Ų9329.8 Ų29.850%0.49717%0.171SC..Hα-helixtrans-98.9-34.7-167.9-64-77.2000114.5C33 A71 G77C33-N75 HydrophobicContact CB-CB 4.19Å; A71-N75 WeakPolarHBondContact O-CB 3.47Å; A71-N75 PolarHBondContact O-N 3.49Å; A71-N75 PolarHBondContact O-ND2 3.34Å; N75-G77 VanDerWaalsContact C-N 3.3Å; N75-G77 PolarHBondContact O-N 2.67Å
76C93.6Very high95.6Very high15 Ų1530.5 Ų30.510%0.10118%0.176CC..SBendtrans-82.6-4.9-175-54.80000113.9C33 I36 C72 I79 F80C33-C76 PolarHBondContact O-SG 3.49Å; I36-C76 HydrophobicContact CG2-CB 3.9Å; I36-C76 VanDerWaalsContact CG2-SG 3.6Å; C72-C76 WeakPolarHBondContact O-CB 3.23Å; C72-C76 PolarHBondContact O-N 2.94Å; C72-C76 PolarHBondContact O-SG 2.93Å; C76-I79 WeakPolarHBondContact O-CG1 3.34Å; C76-F80 HydrophobicContact CB-CB 3.62Å; C76-F80 HydrophobicContact CB-CD2 4.39Å; C76-F80 HydrophobicContact CB-CG 4.11Å
77G92Very high95.3Very high25 Ų2539.7 Ų39.726%0.25821%0.21SC..THydrogen-bonded Turntrans60.1-156.6172.300000115.4N75 I79 F80 H81N75-G77 VanDerWaalsContact C-N 3.3Å; N75-G77 PolarHBondContact O-N 2.67Å; G77-I79 PolarHBondContact O-N 2.88Å; G77-I79 VanDerWaalsContact O-N 3.07Å; G77-F80 PolarHBondContact O-N 2.8Å; G77-H81 PolarHBondContact O-CD2 2.76Å; G77-H81 VanDerWaalsContact O-CD2 3.29Å; G77-H81 PolarHBondContact O-N 3Å
78K93.1Very high95.2Very high91 Ų9144.8 Ų44.840%0.39623%0.233SC..Hα-helixtrans-58.2-29-167.9-175.5163.2175.9167.50114.7F80 H81 L82 D122K78-F80 PolarHBondContact O-N 3.26Å; K78-H81 PolarHBondContact O-N 3.27Å; K78-L82 HydrophobicContact CG-CD1 4.35Å; K78-L82 HydrophobicContact CG-CG 4.36Å; K78-L82 WeakPolarHBondContact O-CG 3.48Å; K78-L82 PolarHBondContact O-N 3.1Å; K78-L82 VanDerWaalsContact O-N 3.12Å; K78-D122 WeakPolarHBondContact CE-OD2 3.41Å; K78-D122 IonicContact NZ-OD1 2.7Å; K78-D122 IonicContact NZ-OD2 3.65Å; K78-D122 PolarHBondContact NZ-OD2 3.22Å
79I93.3Very high95.1Very high93 Ų9345 Ų4548%0.47723%0.234SC..Hα-helixtrans-65-26.8175.859.8168000112.8P43 C76 G77P43-I79 WeakPolarHBondContact CB-O 3.39Å; P43-I79 HydrophobicContact CG-CB 4.19Å; P43-I79 HydrophobicContact CG-CD1 3.96Å; P43-I79 HydrophobicContact CG-CG1 4.04Å; C76-I79 WeakPolarHBondContact O-CG1 3.34Å; G77-I79 PolarHBondContact O-N 2.88Å; G77-I79 VanDerWaalsContact O-N 3.07Å
80F96.4Very high94.9Very high0 Ų045.4 Ų45.40%024%0.237CC..Hα-helixtrans-92.2-36.3174.1-164.4-93.6000111.8I36 P43 L47 L69 C72 V73 C76 G77 K78 L82 E83 I84I36-F80 HydrophobicContact CD1-CD2 4.5Å; I36-F80 HydrophobicContact CD1-CE2 4.21Å; I36-F80 HydrophobicContact CG2-CD2 4.11Å; P43-F80 HydrophobicContact CB-CB 4.41Å; P43-F80 HydrophobicContact CB-CD2 3.84Å; L47-F80 HydrophobicContact CB-CE2 4.21Å; L47-F80 HydrophobicContact CB-CZ 4.25Å; L47-F80 HydrophobicContact CD1-CZ 4.14Å; L69-F80 HydrophobicContact CD1-CE1 4.24Å; L69-F80 HydrophobicContact CD1-CZ 4.15Å; C72-F80 HydrophobicContact CB-CD1 4.12Å; C72-F80 HydrophobicContact CB-CD2 4.31Å; C72-F80 HydrophobicContact CB-CE1 3.61Å; C72-F80 HydrophobicContact CB-CE2 3.86Å; C72-F80 HydrophobicContact CB-CG 4.45Å; C72-F80 HydrophobicContact CB-CZ 3.48Å; C72-F80 VanDerWaalsContact CB-CZ 3.48Å; V73-F80 HydrophobicContact CG2-CD1 3.83Å; V73-F80 HydrophobicContact CG2-CE1 3.68Å; C76-F80 HydrophobicContact CB-CB 3.62Å; C76-F80 HydrophobicContact CB-CD2 4.39Å; C76-F80 HydrophobicContact CB-CG 4.11Å; G77-F80 PolarHBondContact O-N 2.8Å; K78-F80 PolarHBondContact O-N 3.26Å; F80-L82 PolarHBondContact O-N 2.95Å; F80-E83 PolarHBondContact O-N 2.7Å; F80-I84 HydrophobicContact CD1-CD1 4.45Å; F80-I84 HydrophobicContact CD1-CG1 3.89Å; F80-I84 HydrophobicContact CE1-CD1 3.83Å; F80-I84 HydrophobicContact CE1-CG1 3.78Å; F80-I84 HydrophobicContact CZ-CD1 4.49Å; F80-I84 PolarHBondContact O-N 2.58Å
81H95.3Very high94.8Very high32 Ų3247.5 Ų47.515%0.14825%0.253CS..Hα-helixtrans-57.1-34.6175.6-53.8161.8000112.6V73 G77 K78 I84 C85 F119 L125V73-H81 PolarHBondContact O-NE2 3.3Å; G77-H81 PolarHBondContact O-CD2 2.76Å; G77-H81 VanDerWaalsContact O-CD2 3.29Å; G77-H81 PolarHBondContact O-N 3Å; K78-H81 PolarHBondContact O-N 3.27Å; H81-I84 PolarHBondContact O-N 3.02Å; H81-C85 WeakPolarHBondContact O-CB 3.48Å; H81-C85 PolarHBondContact O-N 3.42Å; H81-C85 PolarHBondContact O-SG 3.49Å; H81-F119 HydrophobicContact CB-CE1 4.19Å; H81-F119 HydrophobicContact CB-CE2 4.39Å; H81-F119 HydrophobicContact CB-CZ 3.88Å; H81-F119 AromaticContact CD2-CE1 3.79Å; H81-F119 AromaticContact CD2-CZ 3.64Å; H81-F119 AromaticContact CE1-CE1 3.88Å; H81-F119 AromaticContact CG-CE1 3.67Å; H81-F119 AromaticContact CG-CZ 3.67Å; H81-F119 AromaticContact ND1-CE1 3.76Å; H81-F119 AromaticContact NE2-CE1 3.93Å; H81-L125 HydrophobicContact CB-CD1 3.85Å; H81-L125 HydrophobicContact CB-CD2 3.71Å; H81-L125 HydrophobicContact CB-CG 4.45Å
82L94.2Very high94.8Very high76 Ų7650.2 Ų50.240%0.39826%0.264SS..Hα-helixtrans-67.7-33.1175.7-72169.2000113.8K78 F80 C85 Q124 L125K78-L82 HydrophobicContact CG-CD1 4.35Å; K78-L82 HydrophobicContact CG-CG 4.36Å; K78-L82 WeakPolarHBondContact O-CG 3.48Å; K78-L82 PolarHBondContact O-N 3.1Å; K78-L82 VanDerWaalsContact O-N 3.12Å; F80-L82 PolarHBondContact O-N 2.95Å; L82-C85 CarbonylContact O-C 3.53Å; L82-C85 PolarHBondContact O-N 3.46Å; L82-Q124 HydrophobicContact CD2-CB 4.34Å; L82-L125 HydrophobicContact CD2-CD2 4.06Å; L82-L125 HydrophobicContact CG-CD2 4.41Å
83E95.5Very high94.8Very high44 Ų4450.2 Ų50.221%0.20626%0.264CS..Hα-helixtrans-78.4-30.2175.4-71.2-72.1156.400111.6P43 K44 L47 F80 S86P43-E83 HydrophobicContact CB-CG 4.07Å; K44-E83 HydrophobicContact CB-CG 4.23Å; K44-E83 WeakPolarHBondContact CG-OE2 3.41Å; K44-E83 IonicContact NZ-OE1 3.4Å; K44-E83 PolarHBondContact NZ-OE1 3.09Å; K44-E83 IonicContact NZ-OE2 2.69Å; K44-E83 PolarHBondContact NZ-OE2 3.43Å; L47-E83 HydrophobicContact CD2-CB 3.82Å; L47-E83 VanDerWaalsContact CD2-O 3.32Å; L47-E83 WeakPolarHBondContact CD2-O 3.2Å; F80-E83 PolarHBondContact O-N 2.7Å; E83-S86 WeakPolarHBondContact O-CB 3.47Å; E83-S86 PolarHBondContact O-N 3Å; E83-S86 PolarHBondContact O-OG 3.37Å
84I95.8Very high94.7Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-65.7-40.3166.5-65.8-66.1000110.8L47 L69 V73 F80 H81 S86 F89 W115 F119 I128L47-I84 HydrophobicContact CD1-CD1 3.7Å; L47-I84 HydrophobicContact CD2-CD1 4.18Å; L69-I84 HydrophobicContact CD1-CD1 3.96Å; V73-I84 HydrophobicContact CG2-CD1 4.1Å; V73-I84 HydrophobicContact CG2-CG1 3.85Å; F80-I84 HydrophobicContact CD1-CD1 4.45Å; F80-I84 HydrophobicContact CD1-CG1 3.89Å; F80-I84 HydrophobicContact CE1-CD1 3.83Å; F80-I84 HydrophobicContact CE1-CG1 3.78Å; F80-I84 HydrophobicContact CZ-CD1 4.49Å; F80-I84 PolarHBondContact O-N 2.58Å; H81-I84 PolarHBondContact O-N 3.02Å; I84-S86 PolarHBondContact O-N 3.21Å; I84-F89 HydrophobicContact CD1-CD2 4.06Å; I84-F89 HydrophobicContact CD1-CE1 4.5Å; I84-F89 HydrophobicContact CD1-CE2 3.81Å; I84-F89 HydrophobicContact CD1-CZ 4.06Å; I84-F89 HydrophobicContact CG2-CD1 4.19Å; I84-F89 HydrophobicContact CG2-CE1 4.04Å; I84-F89 WeakPolarHBondContact O-CB 3.42Å; I84-F89 WeakPolarHBondContact O-CD1 3.27Å; I84-F89 WeakPolarHBondContact O-CG 3.18Å; I84-W115 HydrophobicContact CD1-CZ3 4.31Å; I84-W115 HydrophobicContact CG2-CE3 3.91Å; I84-W115 HydrophobicContact CG2-CZ3 3.99Å; I84-F119 HydrophobicContact CG2-CE2 4.37Å; I84-I128 HydrophobicContact CG2-CD1 3.68Å; I84-I128 HydrophobicContact CG2-CG1 3.93Å
85C95.1Very high94.7Very high16 Ų1650 Ų5011%0.10825%0.253CS..THydrogen-bonded Turntrans-81.739.3175.7-610000112.9H81 L82 L125 L127H81-C85 WeakPolarHBondContact O-CB 3.48Å; H81-C85 PolarHBondContact O-N 3.42Å; H81-C85 PolarHBondContact O-SG 3.49Å; L82-C85 CarbonylContact O-C 3.53Å; L82-C85 PolarHBondContact O-N 3.46Å; C85-L125 HydrophobicContact CB-CD2 4.19Å; C85-L125 VanDerWaalsContact SG-CA 3.52Å; C85-L125 PolarHBondContact SG-O 3.06Å; C85-L125 VanDerWaalsContact SG-O 3.34Å; C85-L127 HydrophobicContact CB-CB 4.3Å; C85-L127 VanDerWaalsContact O-CD2 3.25Å; C85-L127 WeakPolarHBondContact O-CD2 3.44Å
86S94.9Very high94.7Very high14 Ų1445.5 Ų45.510%0.09823%0.229CC..SBendtrans-105.7159177.970.30000112.8E83 I84 E88 F89 S90E83-S86 WeakPolarHBondContact O-CB 3.47Å; E83-S86 PolarHBondContact O-N 3Å; E83-S86 PolarHBondContact O-OG 3.37Å; I84-S86 PolarHBondContact O-N 3.21Å; S86-E88 VanDerWaalsContact C-N 3.26Å; S86-E88 WeakPolarHBondContact CB-OE2 3.28Å; S86-E88 PolarHBondContact O-N 3.28Å; S86-F89 WeakPolarHBondContact OG-CB 3.39Å; S86-F89 PolarHBondContact OG-N 3.38Å; S86-S90 PolarHBondContact O-N 3.37Å; S86-S90 VanDerWaalsContact O-N 3.09Å; S86-S90 PolarHBondContact O-OG 2.89Å
87R92.9Very high94.7Very high194 Ų19446.2 Ų46.273%0.73223%0.232SC*.Hα-helixtrans-70-30.9174.9-69.4-177.8176.8-85.8-1.5111.3S90 A91R87-S90 PolarHBondContact O-N 3.12Å; R87-A91 WeakPolarHBondContact O-CB 3.48Å; R87-A91 PolarHBondContact O-N 2.98Å
88E93.7Very high94.7Very high132 Ų13251.5 Ų51.562%0.61725%0.254SS*.Hα-helixtrans-62-49.4176.4-6664.3-149.500110S86 A91 E92S86-E88 VanDerWaalsContact C-N 3.26Å; S86-E88 WeakPolarHBondContact CB-OE2 3.28Å; S86-E88 PolarHBondContact O-N 3.28Å; E88-A91 PolarHBondContact O-N 3.44Å; E88-E92 PolarHBondContact O-N 3.18Å
89F96.1Very high94.7Very high5 Ų554.5 Ų54.52%0.02227%0.267CS..Hα-helixtrans-63.6-44.7172.9-174.5-100000111.8L47 M51 L69 I84 S86 A91 E92 V93 L108 W115 I128L47-F89 HydrophobicContact CD1-CD2 4.06Å; L47-F89 HydrophobicContact CD1-CE2 4.24Å; L47-F89 HydrophobicContact CD2-CD2 4.26Å; M51-F89 HydrophobicContact CE-CE2 4.14Å; M51-F89 HydrophobicContact CG-CD2 4.43Å; M51-F89 HydrophobicContact CG-CE2 4.47Å; M51-F89 HydrophobicContact SD-CD2 4.28Å; M51-F89 HydrophobicContact SD-CE2 3.76Å; L69-F89 HydrophobicContact CD2-CE2 4.23Å; L69-F89 HydrophobicContact CD2-CZ 4.47Å; I84-F89 HydrophobicContact CD1-CD2 4.06Å; I84-F89 HydrophobicContact CD1-CE1 4.5Å; I84-F89 HydrophobicContact CD1-CE2 3.81Å; I84-F89 HydrophobicContact CD1-CZ 4.06Å; I84-F89 HydrophobicContact CG2-CD1 4.19Å; I84-F89 HydrophobicContact CG2-CE1 4.04Å; I84-F89 WeakPolarHBondContact O-CB 3.42Å; I84-F89 WeakPolarHBondContact O-CD1 3.27Å; I84-F89 WeakPolarHBondContact O-CG 3.18Å; S86-F89 WeakPolarHBondContact OG-CB 3.39Å; S86-F89 PolarHBondContact OG-N 3.38Å; F89-A91 PolarHBondContact O-N 3.27Å; F89-E92 PolarHBondContact O-N 3.34Å; F89-E92 VanDerWaalsContact O-N 3.1Å; F89-V93 HydrophobicContact CD1-CG2 3.84Å; F89-V93 HydrophobicContact CE1-CG2 3.42Å; F89-V93 VanDerWaalsContact CE1-CG2 3.42Å; F89-V93 HydrophobicContact CE2-CG2 4.3Å; F89-V93 HydrophobicContact CG-CG2 4.44Å; F89-V93 HydrophobicContact CZ-CG2 3.67Å; F89-V93 WeakPolarHBondContact O-CG2 3.43Å; F89-V93 PolarHBondContact O-N 2.94Å; F89-L108 HydrophobicContact CZ-CD1 4.49Å; F89-W115 HydrophobicContact CE1-CZ3 4.27Å; F89-W115 AromaticContact CZ-CZ3 3.91Å; F89-W115 HydrophobicContact CZ-CZ3 3.91Å; F89-I128 HydrophobicContact CD1-CD1 3.83Å; F89-I128 HydrophobicContact CE1-CD1 3.76Å
90S94.6Very high94.7Very high9 Ų951.5 Ų51.56%0.06326%0.256CS..Hα-helixtrans-61.1-23.6176.3-64.80000114.5S86 R87 R94 T131S86-S90 PolarHBondContact O-N 3.37Å; S86-S90 VanDerWaalsContact O-N 3.09Å; S86-S90 PolarHBondContact O-OG 2.89Å; R87-S90 PolarHBondContact O-N 3.12Å; S90-R94 PolarHBondContact O-NH1 3.18Å; S90-T131 PolarHBondContact OG-OG1 3.14Å
91A94.7Very high94.6Very high59 Ų5956 Ų5649%0.48828%0.277SS..Hα-helixtrans-83.7-40.2172.200000111.7R87 E88 F89 R94 S95R87-A91 WeakPolarHBondContact O-CB 3.48Å; R87-A91 PolarHBondContact O-N 2.98Å; E88-A91 PolarHBondContact O-N 3.44Å; F89-A91 PolarHBondContact O-N 3.27Å; A91-R94 WeakPolarHBondContact O-CB 3.25Å; A91-R94 PolarHBondContact O-N 3.15Å; A91-S95 PolarHBondContact O-N 3.14Å
92E95.8Very high94.5Very high64 Ų6458.6 Ų58.630%0.29930%0.296SS..Hα-helixtrans-70.4-34.4179-160.158.6-11100112.3M51 N55 E88 F89 R94 S95 V96M51-E92 HydrophobicContact CB-CG 4.03Å; M51-E92 HydrophobicContact CE-CB 4.09Å; M51-E92 HydrophobicContact CE-CG 3.64Å; M51-E92 HydrophobicContact CG-CG 4.42Å; N55-E92 PolarHBondContact ND2-OE1 3.39Å; N55-E92 PolarHBondContact OD1-OE1 2.92Å; E88-E92 PolarHBondContact O-N 3.18Å; F89-E92 PolarHBondContact O-N 3.34Å; F89-E92 VanDerWaalsContact O-N 3.1Å; E92-R94 VanDerWaalsContact C-N 3.31Å; E92-R94 PolarHBondContact O-N 3.22Å; E92-S95 WeakPolarHBondContact O-CA 3.35Å; E92-S95 VanDerWaalsContact O-CB 3.3Å; E92-S95 WeakPolarHBondContact O-CB 3.48Å; E92-S95 PolarHBondContact O-N 3.39Å; E92-S95 VanDerWaalsContact O-N 3.12Å; E92-S95 WeakPolarHBondContact OE1-CB 3.22Å; E92-S95 PolarHBondContact OE1-OG 3.29Å; E92-V96 WeakPolarHBondContact O-CG2 3.43Å; E92-V96 PolarHBondContact O-N 3.32Å
93V96.1Very high94.4Very high0 Ų061.3 Ų61.30%031%0.305CS..Hα-helixtrans-53.7-47.8167164.80000110.9F89 S95 V96 L97 L108 M112 L135F89-V93 HydrophobicContact CD1-CG2 3.84Å; F89-V93 HydrophobicContact CE1-CG2 3.42Å; F89-V93 VanDerWaalsContact CE1-CG2 3.42Å; F89-V93 HydrophobicContact CE2-CG2 4.3Å; F89-V93 HydrophobicContact CG-CG2 4.44Å; F89-V93 HydrophobicContact CZ-CG2 3.67Å; F89-V93 WeakPolarHBondContact O-CG2 3.43Å; F89-V93 PolarHBondContact O-N 2.94Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 3.23Å; V93-V96 PolarHBondContact O-N 2.97Å; V93-L97 HydrophobicContact CG1-CD1 3.77Å; V93-L97 HydrophobicContact CG1-CG 4.27Å; V93-L97 WeakPolarHBondContact O-CB 3Å; V93-L97 VanDerWaalsContact O-CG 3.27Å; V93-L97 WeakPolarHBondContact O-CG 3.49Å; V93-L97 PolarHBondContact O-N 2.91Å; V93-L108 HydrophobicContact CG1-CD2 4.48Å; V93-L108 HydrophobicContact CG2-CD2 4.38Å; V93-M112 HydrophobicContact CB-SD 4.39Å; V93-M112 HydrophobicContact CG1-CE 3.88Å; V93-M112 HydrophobicContact CG1-SD 3.49Å; V93-M112 WeakPolarHBondContact CG1-SD 3.42Å; V93-M112 HydrophobicContact CG2-CE 4.28Å; V93-M112 HydrophobicContact CG2-SD 3.93Å; V93-L135 HydrophobicContact CG1-CD1 3.9Å
94R94.8Very high94.4Very high65 Ų6559.2 Ų59.225%0.24530%0.296CS..Hα-helixtrans-64.9-36176.8-76-177.4176.386.2-8112.4S90 A91 E92 N98 S134 L135 E138S90-R94 PolarHBondContact O-NH1 3.18Å; A91-R94 WeakPolarHBondContact O-CB 3.25Å; A91-R94 PolarHBondContact O-N 3.15Å; E92-R94 VanDerWaalsContact C-N 3.31Å; E92-R94 PolarHBondContact O-N 3.22Å; R94-N98 WeakPolarHBondContact O-CB 2.98Å; R94-N98 PolarHBondContact O-N 3.35Å; R94-N98 PolarHBondContact O-ND2 3.45Å; R94-S134 PolarHBondContact NH2-OG 3.25Å; R94-L135 HydrophobicContact CG-CD2 3.78Å; R94-E138 IonicContact CZ-OE1 2.67Å; R94-E138 IonicContact CZ-OE2 2.68Å; R94-E138 IonicContact NE-OE1 2.65Å; R94-E138 PolarHBondContact NE-OE1 3.42Å; R94-E138 IonicContact NE-OE2 3.76Å; R94-E138 PolarHBondContact NE-OE2 3.49Å; R94-E138 VanDerWaalsContact NE-OE2 3.09Å; R94-E138 IonicContact NH2-OE1 3.87Å; R94-E138 PolarHBondContact NH2-OE1 3Å; R94-E138 IonicContact NH2-OE2 3.2Å
95S94.9Very high94.4Very high22 Ų2259.8 Ų59.815%0.15430%0.299CS..Hα-helixtrans-61.5-49.1173.71770000111.3A91 E92 V93 N98 K99A91-S95 PolarHBondContact O-N 3.14Å; E92-S95 WeakPolarHBondContact O-CA 3.35Å; E92-S95 VanDerWaalsContact O-CB 3.3Å; E92-S95 WeakPolarHBondContact O-CB 3.48Å; E92-S95 PolarHBondContact O-N 3.39Å; E92-S95 VanDerWaalsContact O-N 3.12Å; E92-S95 WeakPolarHBondContact OE1-CB 3.22Å; E92-S95 PolarHBondContact OE1-OG 3.29Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 3.23Å; S95-N98 PolarHBondContact O-N 3.1Å; S95-K99 WeakPolarHBondContact O-CB 3.48Å; S95-K99 WeakPolarHBondContact O-CD 3.17Å; S95-K99 VanDerWaalsContact O-CG 3.27Å; S95-K99 WeakPolarHBondContact O-CG 3.48Å; S95-K99 PolarHBondContact O-N 3.37Å; S95-K99 PolarHBondContact OG-NZ 3.23Å
96V95.2Very high94.4Very high0 Ų064.8 Ų64.80%032%0.321CS..Hα-helixtrans-63.5-51.4178.4173.70000111.2M51 V54 N55 E92 V93 N98 K99 A100 V104 L108M51-V96 HydrophobicContact CE-CG2 4.01Å; V54-V96 HydrophobicContact CG1-CG1 3.92Å; V54-V96 HydrophobicContact CG1-CG2 3.81Å; N55-V96 WeakPolarHBondContact ND2-CG2 3.26Å; E92-V96 WeakPolarHBondContact O-CG2 3.43Å; E92-V96 PolarHBondContact O-N 3.32Å; V93-V96 PolarHBondContact O-N 2.97Å; V96-N98 PolarHBondContact O-N 3.41Å; V96-N98 VanDerWaalsContact O-N 3.1Å; V96-K99 PolarHBondContact O-N 2.94Å; V96-A100 HydrophobicContact CG1-CB 3.7Å; V96-A100 VanDerWaalsContact O-CB 3.27Å; V96-A100 WeakPolarHBondContact O-CB 3.4Å; V96-A100 PolarHBondContact O-N 3.18Å; V96-V104 HydrophobicContact CG1-CG1 4.5Å; V96-L108 HydrophobicContact CB-CD2 4.02Å; V96-L108 HydrophobicContact CG1-CD2 3.7Å
97L94Very high94.5Very high30 Ų3067.5 Ų67.516%0.15733%0.331CS..Hα-helixtrans-59.9-25.6-177-70.1177.8000114V93 C105 L108 K109 L135 V140V93-L97 HydrophobicContact CG1-CD1 3.77Å; V93-L97 HydrophobicContact CG1-CG 4.27Å; V93-L97 WeakPolarHBondContact O-CB 3Å; V93-L97 VanDerWaalsContact O-CG 3.27Å; V93-L97 WeakPolarHBondContact O-CG 3.49Å; V93-L97 PolarHBondContact O-N 2.91Å; L97-C105 HydrophobicContact CD2-CB 3.76Å; L97-L108 HydrophobicContact CD2-CD2 4.5Å; L97-K109 HydrophobicContact CD2-CD 4.47Å; L97-K109 HydrophobicContact CD2-CG 3.99Å; L97-L135 HydrophobicContact CD1-CD1 3.89Å; L97-L135 HydrophobicContact CD1-CD2 4.3Å; L97-V140 HydrophobicContact CD1-CG1 4.49Å
98N92.4Very high94.7Very high136 Ų13658.3 Ų58.373%0.72730%0.296SS*.Hα-helixtrans-93.2-10.6177.9-77.6-73.9000114.7R94 S95 V96R94-N98 WeakPolarHBondContact O-CB 2.98Å; R94-N98 PolarHBondContact O-N 3.35Å; R94-N98 PolarHBondContact O-ND2 3.45Å; S95-N98 PolarHBondContact O-N 3.1Å; V96-N98 PolarHBondContact O-N 3.41Å; V96-N98 VanDerWaalsContact O-N 3.1Å
99K92.4Very high94.7Very high154 Ų15454 Ų5467%0.6728%0.276SS*.Hα-helixtrans-132.5-26-169-61.2171.5-166.6159.30115S95 V96S95-K99 WeakPolarHBondContact O-CB 3.48Å; S95-K99 WeakPolarHBondContact O-CD 3.17Å; S95-K99 VanDerWaalsContact O-CG 3.27Å; S95-K99 WeakPolarHBondContact O-CG 3.48Å; S95-K99 PolarHBondContact O-N 3.37Å; S95-K99 PolarHBondContact OG-NZ 3.23Å; V96-K99 PolarHBondContact O-N 2.94Å
100A93.4Very high94.7Very high30 Ų3055.9 Ų55.925%0.24829%0.292CS..SBendtrans-85.4169-173.900000112.3V96 V104V96-A100 HydrophobicContact CG1-CB 3.7Å; V96-A100 VanDerWaalsContact O-CB 3.27Å; V96-A100 WeakPolarHBondContact O-CB 3.4Å; V96-A100 PolarHBondContact O-N 3.18Å; A100-V104 HydrophobicContact CB-CB 4.42Å; A100-V104 HydrophobicContact CB-CG1 4.31Å
101H94.4Very high94.8Very high93 Ų9356 Ų5643%0.43129%0.292SS..  trans-64.8139.5179.5179.7-92.4000111.5P59 K103 V104 C105P59-H101 HydrophobicContact CB-CB 3.9Å; P59-H101 HydrophobicContact CG-CB 3.81Å; H101-K103 VanDerWaalsContact C-N 3.32Å; H101-K103 PolarHBondContact ND1-N 3.45Å; H101-K103 PolarHBondContact O-N 3.03Å; H101-K103 VanDerWaalsContact O-N 3.1Å; H101-V104 HydrophobicContact CB-CG2 4.1Å; H101-V104 WeakPolarHBondContact O-CA 3.42Å; H101-V104 VanDerWaalsContact O-CB 3.3Å; H101-V104 WeakPolarHBondContact O-CB 3.4Å; H101-V104 PolarHBondContact O-N 3.14Å; H101-C105 PolarHBondContact O-N 3.17Å
102P93.6Very high94.9Very high87 Ų8753.2 Ų53.257%0.56527%0.269SS*.Hα-helixtrans-48.8-45.8-173.4-31.936.4000114.9V104 C105 E106P102-V104 VanDerWaalsContact C-N 3.26Å; P102-V104 PolarHBondContact O-N 3.48Å; P102-C105 CarbonylContact O-C 3.52Å; P102-C105 WeakPolarHBondContact O-CA 3.44Å; P102-C105 WeakPolarHBondContact O-CB 3.38Å; P102-C105 PolarHBondContact O-N 2.8Å; P102-E106 WeakPolarHBondContact O-CG 3.49Å; P102-E106 PolarHBondContact O-N 3.23Å
103K92.8Very high94.9Very high133 Ų13350.9 Ų50.958%0.57826%0.259SS*.Hα-helixtrans-62.1-28178.3-163.6172.5-177.1176.10114.3M63 H101 E106 K107M63-K103 HydrophobicContact CE-CB 4.47Å; M63-K103 HydrophobicContact CE-CG 4.05Å; H101-K103 VanDerWaalsContact C-N 3.32Å; H101-K103 PolarHBondContact ND1-N 3.45Å; H101-K103 PolarHBondContact O-N 3.03Å; H101-K103 VanDerWaalsContact O-N 3.1Å; K103-E106 WeakPolarHBondContact CA-OE2 3.41Å; K103-K107 PolarHBondContact O-N 3.34Å
104V95.8Very high94.8Very high1 Ų156.2 Ų56.21%0.00628%0.284CS..Hα-helixtrans-74.1-43.8173.3-179.60000109.3V54 P59 A62 M63 L66 V96 A100 H101 P102 K107 L108V54-V104 HydrophobicContact CG1-CG1 4.37Å; P59-V104 HydrophobicContact CB-CG2 4.5Å; A62-V104 HydrophobicContact CB-CG1 4Å; A62-V104 HydrophobicContact CB-CG2 3.87Å; M63-V104 HydrophobicContact CE-CG2 4.14Å; L66-V104 HydrophobicContact CD1-CB 4.49Å; L66-V104 HydrophobicContact CD1-CG1 3.64Å; L66-V104 WeakPolarHBondContact CD1-O 3.31Å; L66-V104 HydrophobicContact CG-CG1 4.4Å; V96-V104 HydrophobicContact CG1-CG1 4.5Å; A100-V104 HydrophobicContact CB-CB 4.42Å; A100-V104 HydrophobicContact CB-CG1 4.31Å; H101-V104 HydrophobicContact CB-CG2 4.1Å; H101-V104 WeakPolarHBondContact O-CA 3.42Å; H101-V104 VanDerWaalsContact O-CB 3.3Å; H101-V104 WeakPolarHBondContact O-CB 3.4Å; H101-V104 PolarHBondContact O-N 3.14Å; P102-V104 VanDerWaalsContact C-N 3.26Å; P102-V104 PolarHBondContact O-N 3.48Å; V104-K107 PolarHBondContact O-N 3.33Å; V104-L108 WeakPolarHBondContact O-CB 3.49Å; V104-L108 PolarHBondContact O-N 3.43Å
105C95.3Very high94.8Very high12 Ų1253.5 Ų53.58%0.08127%0.274CS..Hα-helixtrans-63-41176.2-59.20000112.4L97 H101 P102 K109L97-C105 HydrophobicContact CD2-CB 3.76Å; H101-C105 PolarHBondContact O-N 3.17Å; P102-C105 CarbonylContact O-C 3.52Å; P102-C105 WeakPolarHBondContact O-CA 3.44Å; P102-C105 WeakPolarHBondContact O-CB 3.38Å; P102-C105 PolarHBondContact O-N 2.8Å; C105-K109 WeakPolarHBondContact O-CG 3.3Å; C105-K109 PolarHBondContact O-N 2.96Å
106E95.4Very high94.8Very high121 Ų12153.7 Ų53.757%0.56528%0.276SS*.Hα-helixtrans-60.5-48.9174.1-73.2168.9163.200111.8P102 K103 L108 K109 A110P102-E106 WeakPolarHBondContact O-CG 3.49Å; P102-E106 PolarHBondContact O-N 3.23Å; K103-E106 WeakPolarHBondContact CA-OE2 3.41Å; E106-L108 PolarHBondContact O-N 3.12Å; E106-K109 WeakPolarHBondContact O-CB 3.38Å; E106-K109 PolarHBondContact O-N 3.4Å; E106-A110 PolarHBondContact O-N 3.36Å
107K95.8Very high94.6Very high71 Ų7157.2 Ų57.231%0.30929%0.293SS..Hα-helixtrans-62.6-44177.9-178.4163.5-171.91600112.1M63 L66 N67 K103 V104 K109 A110 M111M63-K107 HydrophobicContact SD-CB 4.42Å; M63-K107 HydrophobicContact SD-CD 3.48Å; M63-K107 WeakPolarHBondContact SD-CD 3.38Å; L66-K107 HydrophobicContact CB-CD 4.23Å; L66-K107 HydrophobicContact CB-CG 4.48Å; L66-K107 HydrophobicContact CD1-CB 3.96Å; L66-K107 HydrophobicContact CD1-CD 4.43Å; L66-K107 HydrophobicContact CD1-CG 4.06Å; N67-K107 PolarHBondContact OD1-NZ 2.82Å; K103-K107 PolarHBondContact O-N 3.34Å; V104-K107 PolarHBondContact O-N 3.33Å; K107-K109 VanDerWaalsContact C-N 3.32Å; K107-K109 PolarHBondContact O-N 3.08Å; K107-A110 PolarHBondContact O-N 3.1Å; K107-M111 HydrophobicContact CD-SD 4.23Å; K107-M111 HydrophobicContact CG-CG 4.35Å; K107-M111 HydrophobicContact CG-SD 3.66Å; K107-M111 WeakPolarHBondContact O-CG 3.43Å; K107-M111 PolarHBondContact O-N 3.36Å
108L96.5Very high94.4Very high0 Ų058.5 Ų58.50%031%0.313CS..Hα-helixtrans-60.3-41.2176.4179.359.6000111.8L66 F89 V93 V96 L97 V104 E106 M112L66-L108 HydrophobicContact CD1-CB 4.2Å; L66-L108 HydrophobicContact CD2-CB 4.32Å; L66-L108 HydrophobicContact CD2-CD1 4.06Å; F89-L108 HydrophobicContact CZ-CD1 4.49Å; V93-L108 HydrophobicContact CG1-CD2 4.48Å; V93-L108 HydrophobicContact CG2-CD2 4.38Å; V96-L108 HydrophobicContact CB-CD2 4.02Å; V96-L108 HydrophobicContact CG1-CD2 3.7Å; L97-L108 HydrophobicContact CD2-CD2 4.5Å; V104-L108 WeakPolarHBondContact O-CB 3.49Å; V104-L108 PolarHBondContact O-N 3.43Å; E106-L108 PolarHBondContact O-N 3.12Å; L108-M112 HydrophobicContact CD1-CG 4.34Å; L108-M112 HydrophobicContact CG-SD 4.39Å; L108-M112 WeakPolarHBondContact O-CB 3.45Å; L108-M112 VanDerWaalsContact O-CG 3.27Å; L108-M112 WeakPolarHBondContact O-CG 3.22Å; L108-M112 PolarHBondContact O-N 3.38Å
109K95.5Very high94.3Very high43 Ų4352.9 Ų52.919%0.18728%0.282CS..Hα-helixtrans-61.9-43.2174.8-72.7167.7-179.6-165.70112.6L97 C105 E106 K107 M112 V113 V140 S141 F142L97-K109 HydrophobicContact CD2-CD 4.47Å; L97-K109 HydrophobicContact CD2-CG 3.99Å; C105-K109 WeakPolarHBondContact O-CG 3.3Å; C105-K109 PolarHBondContact O-N 2.96Å; E106-K109 WeakPolarHBondContact O-CB 3.38Å; E106-K109 PolarHBondContact O-N 3.4Å; K107-K109 VanDerWaalsContact C-N 3.32Å; K107-K109 PolarHBondContact O-N 3.08Å; K109-M112 PolarHBondContact O-N 2.96Å; K109-V113 WeakPolarHBondContact O-CG2 3.4Å; K109-V113 PolarHBondContact O-N 3.35Å; K109-V113 VanDerWaalsContact O-N 3.14Å; K109-V140 HydrophobicContact CD-CG1 4.47Å; K109-V140 VanDerWaalsContact CE-CG1 3.4Å; K109-S141 WeakPolarHBondContact CD-O 3.46Å; K109-S141 WeakPolarHBondContact CE-O 3.27Å; K109-S141 PolarHBondContact NZ-O 2.96Å; K109-F142 HydrophobicContact CB-CD1 3.74Å; K109-F142 HydrophobicContact CB-CE1 4.08Å; K109-F142 HydrophobicContact CG-CD1 3.89Å; K109-F142 HydrophobicContact CG-CE1 3.9Å
110A95.7Very high94.1Very high44 Ų4452.6 Ų52.636%0.36428%0.283SS..Hα-helixtrans-62.3-51.1178.400000111.2E106 K107 M112 V113 E114 P143E106-A110 PolarHBondContact O-N 3.36Å; K107-A110 PolarHBondContact O-N 3.1Å; A110-M112 VanDerWaalsContact C-N 3.31Å; A110-M112 PolarHBondContact O-N 3.5Å; A110-V113 PolarHBondContact O-N 3.34Å; A110-E114 PolarHBondContact O-N 3.11Å; A110-P143 HydrophobicContact CB-CG 4.18Å
111M96.3Very high93.7Very high11 Ų1160.4 Ų60.45%0.05431%0.312CS..Hα-helixtrans-58.1-41176.9-68.2164.660.100112.1L66 L69 K107 V113 E114 W115L66-M111 HydrophobicContact CB-CE 4.46Å; L66-M111 HydrophobicContact CB-SD 4.09Å; L66-M111 HydrophobicContact CD2-CE 4.46Å; L66-M111 HydrophobicContact CD2-SD 4.45Å; L66-M111 VanDerWaalsContact O-CE 3.26Å; L66-M111 WeakPolarHBondContact O-CE 3.46Å; L69-M111 HydrophobicContact CB-CE 4.26Å; L69-M111 HydrophobicContact CD2-CE 4.35Å; L69-M111 HydrophobicContact CG-CE 4.38Å; K107-M111 HydrophobicContact CD-SD 4.23Å; K107-M111 HydrophobicContact CG-CG 4.35Å; K107-M111 HydrophobicContact CG-SD 3.66Å; K107-M111 WeakPolarHBondContact O-CG 3.43Å; K107-M111 PolarHBondContact O-N 3.36Å; M111-V113 VanDerWaalsContact C-N 3.35Å; M111-V113 PolarHBondContact O-N 2.97Å; M111-E114 PolarHBondContact O-N 2.8Å; M111-W115 HydrophobicContact CB-CH2 4.25Å; M111-W115 HydrophobicContact CB-CZ2 3.88Å; M111-W115 HydrophobicContact CE-CH2 3.71Å; M111-W115 HydrophobicContact CE-CZ2 3.42Å; M111-W115 VanDerWaalsContact CE-CZ2 3.42Å; M111-W115 WeakPolarHBondContact O-CB 3.45Å; M111-W115 VanDerWaalsContact O-CD1 3.29Å; M111-W115 PolarHBondContact O-N 3.4Å
112M96Very high93.5Very high0 Ų057.7 Ų57.70%030%0.301CS..Hα-helixtrans-61.9-39.5175.3-76.3-178.576.900113.1V93 L108 K109 A110 A116 I128 T131 I132 L135V93-M112 HydrophobicContact CB-SD 4.39Å; V93-M112 HydrophobicContact CG1-CE 3.88Å; V93-M112 HydrophobicContact CG1-SD 3.49Å; V93-M112 WeakPolarHBondContact CG1-SD 3.42Å; V93-M112 HydrophobicContact CG2-CE 4.28Å; V93-M112 HydrophobicContact CG2-SD 3.93Å; L108-M112 HydrophobicContact CD1-CG 4.34Å; L108-M112 HydrophobicContact CG-SD 4.39Å; L108-M112 WeakPolarHBondContact O-CB 3.45Å; L108-M112 VanDerWaalsContact O-CG 3.27Å; L108-M112 WeakPolarHBondContact O-CG 3.22Å; L108-M112 PolarHBondContact O-N 3.38Å; K109-M112 PolarHBondContact O-N 2.96Å; A110-M112 VanDerWaalsContact C-N 3.31Å; A110-M112 PolarHBondContact O-N 3.5Å; M112-A116 WeakPolarHBondContact O-CB 3.22Å; M112-A116 PolarHBondContact O-N 3.28Å; M112-I128 WeakPolarHBondContact O-CG2 3.49Å; M112-T131 HydrophobicContact CE-CG2 4.02Å; M112-I132 HydrophobicContact CB-CD1 4.05Å; M112-I132 HydrophobicContact CB-CG1 4.24Å; M112-I132 HydrophobicContact CE-CG1 3.94Å; M112-I132 VanDerWaalsContact O-CD1 3.3Å; M112-I132 WeakPolarHBondContact O-CD1 3.27Å; M112-L135 HydrophobicContact CE-CD1 4.4Å
113V95.8Very high93.3Very high15 Ų1558.8 Ų58.89%0.09131%0.307CS..Hα-helixtrans-67.5-48.4178.2170.90000110.7K109 A110 M111 W115 A116 E117 I132 F142 A145K109-V113 WeakPolarHBondContact O-CG2 3.4Å; K109-V113 PolarHBondContact O-N 3.35Å; K109-V113 VanDerWaalsContact O-N 3.14Å; A110-V113 PolarHBondContact O-N 3.34Å; M111-V113 VanDerWaalsContact C-N 3.35Å; M111-V113 PolarHBondContact O-N 2.97Å; V113-W115 VanDerWaalsContact C-N 3.31Å; V113-W115 PolarHBondContact O-N 2.95Å; V113-A116 WeakPolarHBondContact O-CB 3.32Å; V113-A116 PolarHBondContact O-N 2.77Å; V113-A116 VanDerWaalsContact O-N 3.08Å; V113-E117 PolarHBondContact O-N 2.87Å; V113-E117 VanDerWaalsContact O-N 3.12Å; V113-I132 HydrophobicContact CG2-CD1 4.35Å; V113-F142 HydrophobicContact CG2-CB 4.18Å; V113-F142 HydrophobicContact CG2-CD1 3.84Å; V113-F142 HydrophobicContact CG2-CG 4.39Å; V113-A145 HydrophobicContact CG1-CB 3.54Å
114E94.9Very high93Very high113 Ų11358.4 Ų58.453%0.52831%0.308SS..Hα-helixtrans-51.7-48.2173.6-177.6-162.7138.200111.5A110 M111 E117 G118A110-E114 PolarHBondContact O-N 3.11Å; M111-E114 PolarHBondContact O-N 2.8Å; E114-E117 PolarHBondContact O-N 3.31Å; E114-G118 PolarHBondContact O-N 2.73Å
115W95.1Very high92.8Very high8 Ų858.7 Ų58.73%0.0331%0.309CS..Hα-helixtrans-68-35.3177.8-57.4-16.7000112.9L69 V73 I84 F89 M111 V113 E117 G118 F119L69-W115 HydrophobicContact CD2-CH2 3.91Å; L69-W115 HydrophobicContact CG-CH2 3.95Å; V73-W115 HydrophobicContact CB-CZ2 4Å; V73-W115 HydrophobicContact CG1-CD2 4.17Å; V73-W115 HydrophobicContact CG1-CG 4.19Å; V73-W115 HydrophobicContact CG1-CZ2 4.35Å; V73-W115 HydrophobicContact CG2-CD2 4.37Å; V73-W115 HydrophobicContact CG2-CH2 3.88Å; V73-W115 HydrophobicContact CG2-CZ2 3.54Å; V73-W115 HydrophobicContact CG2-CZ3 4.41Å; I84-W115 HydrophobicContact CD1-CZ3 4.31Å; I84-W115 HydrophobicContact CG2-CE3 3.91Å; I84-W115 HydrophobicContact CG2-CZ3 3.99Å; F89-W115 HydrophobicContact CE1-CZ3 4.27Å; F89-W115 AromaticContact CZ-CZ3 3.91Å; F89-W115 HydrophobicContact CZ-CZ3 3.91Å; M111-W115 HydrophobicContact CB-CH2 4.25Å; M111-W115 HydrophobicContact CB-CZ2 3.88Å; M111-W115 HydrophobicContact CE-CH2 3.71Å; M111-W115 HydrophobicContact CE-CZ2 3.42Å; M111-W115 VanDerWaalsContact CE-CZ2 3.42Å; M111-W115 WeakPolarHBondContact O-CB 3.45Å; M111-W115 VanDerWaalsContact O-CD1 3.29Å; M111-W115 PolarHBondContact O-N 3.4Å; V113-W115 VanDerWaalsContact C-N 3.31Å; V113-W115 PolarHBondContact O-N 2.95Å; W115-E117 VanDerWaalsContact C-N 3.28Å; W115-E117 PolarHBondContact O-N 3.05Å; W115-G118 PolarHBondContact O-N 3.37Å; W115-F119 HydrophobicContact CB-CD2 4.18Å; W115-F119 HydrophobicContact CB-CE2 3.86Å; W115-F119 HydrophobicContact CB-CZ 4.11Å; W115-F119 HydrophobicContact CG-CZ 4.43Å; W115-F119 WeakPolarHBondContact O-CB 3.49Å; W115-F119 WeakPolarHBondContact O-CD2 3.47Å; W115-F119 WeakPolarHBondContact O-CG 3.37Å; W115-F119 PolarHBondContact O-N 3.04Å
116A93.6Very high92.7Very high26 Ų2661.7 Ų61.722%0.21533%0.331CS..Hα-helixtrans-62.7-36.1176.300000112.2M112 V113 Q120 I128 I132M112-A116 WeakPolarHBondContact O-CB 3.22Å; M112-A116 PolarHBondContact O-N 3.28Å; V113-A116 WeakPolarHBondContact O-CB 3.32Å; V113-A116 PolarHBondContact O-N 2.77Å; V113-A116 VanDerWaalsContact O-N 3.08Å; A116-Q120 PolarHBondContact O-N 2.86Å; A116-I128 HydrophobicContact CB-CG2 4.22Å; A116-I132 HydrophobicContact CB-CD1 3.66Å
117E91.9Very high92.6Very high73 Ų7358.2 Ų58.234%0.34132%0.316SS..Hα-helixtrans-74.1-45174.1-64.1-167125.100112.2V113 E114 W115 F119 Q120 A145V113-E117 PolarHBondContact O-N 2.87Å; V113-E117 VanDerWaalsContact O-N 3.12Å; E114-E117 PolarHBondContact O-N 3.31Å; W115-E117 VanDerWaalsContact C-N 3.28Å; W115-E117 PolarHBondContact O-N 3.05Å; E117-F119 VanDerWaalsContact C-N 3.27Å; E117-F119 PolarHBondContact O-N 3.46Å; E117-Q120 WeakPolarHBondContact O-CG 3.41Å; E117-Q120 PolarHBondContact O-N 3.34Å; E117-Q120 PolarHBondContact O-NE2 3.1Å; E117-A145 HydrophobicContact CG-CB 4.41Å; E117-A145 VanDerWaalsContact OE1-CB 3.29Å; E117-A145 WeakPolarHBondContact OE1-CB 3.45Å
118G88.9Confident92.5Very high57 Ų5754.9 Ų54.959%0.58830%0.301SS*.Hα-helixtrans-61.1-35.6176.400000113.1E114 W115E114-G118 PolarHBondContact O-N 2.73Å; W115-G118 PolarHBondContact O-N 3.37Å
119F92Very high92.3Very high18 Ų1856.3 Ų56.38%0.07932%0.316CS..THydrogen-bonded Turntrans-87.8-6.4-176.9-64.5-9.4000114.5V73 H81 I84 W115 E117 K121 D122 L125V73-F119 HydrophobicContact CG1-CE1 4.49Å; V73-F119 HydrophobicContact CG1-CZ 3.97Å; H81-F119 HydrophobicContact CB-CE1 4.19Å; H81-F119 HydrophobicContact CB-CE2 4.39Å; H81-F119 HydrophobicContact CB-CZ 3.88Å; H81-F119 AromaticContact CD2-CE1 3.79Å; H81-F119 AromaticContact CD2-CZ 3.64Å; H81-F119 AromaticContact CE1-CE1 3.88Å; H81-F119 AromaticContact CG-CE1 3.67Å; H81-F119 AromaticContact CG-CZ 3.67Å; H81-F119 AromaticContact ND1-CE1 3.76Å; H81-F119 AromaticContact NE2-CE1 3.93Å; I84-F119 HydrophobicContact CG2-CE2 4.37Å; W115-F119 HydrophobicContact CB-CD2 4.18Å; W115-F119 HydrophobicContact CB-CE2 3.86Å; W115-F119 HydrophobicContact CB-CZ 4.11Å; W115-F119 HydrophobicContact CG-CZ 4.43Å; W115-F119 WeakPolarHBondContact O-CB 3.49Å; W115-F119 WeakPolarHBondContact O-CD2 3.47Å; W115-F119 WeakPolarHBondContact O-CG 3.37Å; W115-F119 PolarHBondContact O-N 3.04Å; E117-F119 VanDerWaalsContact C-N 3.27Å; E117-F119 PolarHBondContact O-N 3.46Å; F119-K121 PolarHBondContact O-N 2.97Å; F119-D122 PolarHBondContact O-N 3.08Å; F119-L125 HydrophobicContact CB-CB 3.66Å; F119-L125 HydrophobicContact CB-CD1 4.16Å; F119-L125 HydrophobicContact CD1-CD1 3.8Å; F119-L125 HydrophobicContact CD2-CB 3.91Å; F119-L125 HydrophobicContact CD2-CD1 4.29Å; F119-L125 HydrophobicContact CE1-CD1 4.29Å; F119-L125 HydrophobicContact CG-CB 3.85Å; F119-L125 HydrophobicContact CG-CD1 3.82Å; F119-L125 HydrophobicContact CG-CG 4.46Å
120Q86.8Confident92.2Very high148 Ų14857 Ų5769%0.69233%0.329SS*.THydrogen-bonded Turntrans-57.8-21.6-173.377.2-171.8-71.400114.7A116 E117A116-Q120 PolarHBondContact O-N 2.86Å; E117-Q120 WeakPolarHBondContact O-CG 3.41Å; E117-Q120 PolarHBondContact O-N 3.34Å; E117-Q120 PolarHBondContact O-NE2 3.1Å
121K86.6Confident92.1Very high194 Ų19455.2 Ų55.284%0.84331%0.314SS*.THydrogen-bonded Turntrans-80.1-13.2179.1-62.4179.7-178.5176.60113.7F119F119-K121 PolarHBondContact O-N 2.97Å
122D88.7Confident92.1Very high37 Ų3755.2 Ų55.220%0.19831%0.314CS..  trans-118.9109.8-178.3-169.2-27.5000111.7K78 F119 Q124 L125K78-D122 WeakPolarHBondContact CE-OD2 3.41Å; K78-D122 IonicContact NZ-OD1 2.7Å; K78-D122 IonicContact NZ-OD2 3.65Å; K78-D122 PolarHBondContact NZ-OD2 3.22Å; F119-D122 PolarHBondContact O-N 3.08Å; D122-Q124 PolarHBondContact O-N 3.44Å; D122-Q124 VanDerWaalsContact O-N 3.08Å; D122-Q124 VanDerWaalsContact OD1-CB 3.27Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.34Å; D122-Q124 WeakPolarHBondContact OD1-CG 3.37Å; D122-Q124 PolarHBondContact OD1-N 2.88Å; D122-L125 HydrophobicContact CB-CB 4.36Å; D122-L125 HydrophobicContact CB-CD1 4.03Å; D122-L125 HydrophobicContact CB-CG 4.03Å; D122-L125 PolarHBondContact O-N 3.45Å
123P89.3Confident92Very high109 Ų10961.6 Ų61.671%0.70834%0.342SS*.G310 helixtrans-56-26.8178.3-27.335.7000114.6L125 S126P123-L125 PolarHBondContact O-N 3.02Å; P123-S126 WeakPolarHBondContact O-CB 3.37Å; P123-S126 PolarHBondContact O-N 3Å; P123-S126 PolarHBondContact O-OG 3.03Å
124Q87.7Confident91.9Very high125 Ų12562.6 Ų62.658%0.58435%0.35SS*.G310 helixtrans-69.9-20.9178.3-54.6-168.6-87.800112.8L82 D122L82-Q124 HydrophobicContact CD2-CB 4.34Å; D122-Q124 PolarHBondContact O-N 3.44Å; D122-Q124 VanDerWaalsContact O-N 3.08Å; D122-Q124 VanDerWaalsContact OD1-CB 3.27Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.34Å; D122-Q124 WeakPolarHBondContact OD1-CG 3.37Å; D122-Q124 PolarHBondContact OD1-N 2.88Å
125L91.3Very high91.9Very high7 Ų757.3 Ų57.34%0.03733%0.325CS..G310 helixtrans-101.33.3-176.9-55.6-176.8000113.1H81 L82 C85 F119 D122 P123 L127H81-L125 HydrophobicContact CB-CD1 3.85Å; H81-L125 HydrophobicContact CB-CD2 3.71Å; H81-L125 HydrophobicContact CB-CG 4.45Å; L82-L125 HydrophobicContact CD2-CD2 4.06Å; L82-L125 HydrophobicContact CG-CD2 4.41Å; C85-L125 HydrophobicContact CB-CD2 4.19Å; C85-L125 VanDerWaalsContact SG-CA 3.52Å; C85-L125 PolarHBondContact SG-O 3.06Å; C85-L125 VanDerWaalsContact SG-O 3.34Å; F119-L125 HydrophobicContact CB-CB 3.66Å; F119-L125 HydrophobicContact CB-CD1 4.16Å; F119-L125 HydrophobicContact CD1-CD1 3.8Å; F119-L125 HydrophobicContact CD2-CB 3.91Å; F119-L125 HydrophobicContact CD2-CD1 4.29Å; F119-L125 HydrophobicContact CE1-CD1 4.29Å; F119-L125 HydrophobicContact CG-CB 3.85Å; F119-L125 HydrophobicContact CG-CD1 3.82Å; F119-L125 HydrophobicContact CG-CG 4.46Å; D122-L125 HydrophobicContact CB-CB 4.36Å; D122-L125 HydrophobicContact CB-CD1 4.03Å; D122-L125 HydrophobicContact CB-CG 4.03Å; D122-L125 PolarHBondContact O-N 3.45Å; P123-L125 PolarHBondContact O-N 3.02Å; L125-L127 PolarHBondContact O-N 3.38Å
126S92.3Very high91.9Very high76 Ų7662.5 Ų62.553%0.53135%0.348SS..THydrogen-bonded Turntrans-61.6-13.7-178.859.70000115.6P123 I128 G129 A130P123-S126 WeakPolarHBondContact O-CB 3.37Å; P123-S126 PolarHBondContact O-N 3Å; P123-S126 PolarHBondContact O-OG 3.03Å; S126-I128 VanDerWaalsContact C-N 3.29Å; S126-I128 PolarHBondContact O-N 3.38Å; S126-G129 PolarHBondContact O-N 3.47Å; S126-A130 PolarHBondContact O-N 2.93Å
127L93.3Very high91.9Very high48 Ų4867.9 Ų67.925%0.25137%0.369SS..Hα-helixtrans-64.2-29.9-176.8-170.965000113.3C85 L125 A130 T131C85-L127 HydrophobicContact CB-CB 4.3Å; C85-L127 VanDerWaalsContact O-CD2 3.25Å; C85-L127 WeakPolarHBondContact O-CD2 3.44Å; L125-L127 PolarHBondContact O-N 3.38Å; L127-A130 PolarHBondContact O-N 2.93Å; L127-T131 VanDerWaalsContact O-CB 3.32Å; L127-T131 WeakPolarHBondContact O-CB 3.45Å; L127-T131 PolarHBondContact O-N 3.49Å; L127-T131 PolarHBondContact O-OG1 3.22Å
128I93.9Very high92Very high0 Ų069.3 Ų69.30%038%0.375CS..Hα-helixtrans-66.6-48.4176-68.2-66.9000110.4I84 F89 M112 A116 S126 A130 T131 I132I84-I128 HydrophobicContact CG2-CD1 3.68Å; I84-I128 HydrophobicContact CG2-CG1 3.93Å; F89-I128 HydrophobicContact CD1-CD1 3.83Å; F89-I128 HydrophobicContact CE1-CD1 3.76Å; M112-I128 WeakPolarHBondContact O-CG2 3.49Å; A116-I128 HydrophobicContact CB-CG2 4.22Å; S126-I128 VanDerWaalsContact C-N 3.29Å; S126-I128 PolarHBondContact O-N 3.38Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.89Å; I128-T131 PolarHBondContact O-N 2.93Å; I128-T131 VanDerWaalsContact O-N 3.11Å; I128-I132 HydrophobicContact CG2-CD1 4.04Å; I128-I132 WeakPolarHBondContact O-CG1 3.37Å; I128-I132 PolarHBondContact O-N 3.4Å
129G93.1Very high92Very high31 Ų3169.7 Ų69.732%0.3238%0.38SS..Hα-helixtrans-58.7-42.4174.300000112.9S126 T131 I132 K133S126-G129 PolarHBondContact O-N 3.47Å; G129-T131 VanDerWaalsContact C-N 3.35Å; G129-T131 PolarHBondContact O-N 3.45Å; G129-I132 PolarHBondContact O-N 2.94Å; G129-K133 PolarHBondContact O-N 3.09Å
130A93.7Very high92Very high56 Ų5670.6 Ų70.646%0.46339%0.387SS..Hα-helixtrans-63.4-38.4174.300000112.7S126 L127 I128 K133 S134S126-A130 PolarHBondContact O-N 2.93Å; L127-A130 PolarHBondContact O-N 2.93Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 2.89Å; A130-K133 PolarHBondContact O-N 3.03Å; A130-S134 PolarHBondContact O-N 2.76Å
131T93.8Very high92.2Very high7 Ų768 Ų684%0.04339%0.385CS..Hα-helixtrans-68.4-40.6177-60.30000111.4S90 M112 L127 I128 G129 K133 S134 L135S90-T131 PolarHBondContact OG-OG1 3.14Å; M112-T131 HydrophobicContact CE-CG2 4.02Å; L127-T131 VanDerWaalsContact O-CB 3.32Å; L127-T131 WeakPolarHBondContact O-CB 3.45Å; L127-T131 PolarHBondContact O-N 3.49Å; L127-T131 PolarHBondContact O-OG1 3.22Å; I128-T131 PolarHBondContact O-N 2.93Å; I128-T131 VanDerWaalsContact O-N 3.11Å; G129-T131 VanDerWaalsContact C-N 3.35Å; G129-T131 PolarHBondContact O-N 3.45Å; T131-K133 VanDerWaalsContact C-N 3.35Å; T131-S134 PolarHBondContact O-N 3.3Å; T131-L135 HydrophobicContact CG2-CD1 3.92Å; T131-L135 WeakPolarHBondContact O-CB 3.46Å; T131-L135 VanDerWaalsContact O-CG 3.28Å; T131-L135 WeakPolarHBondContact O-CG 3.38Å; T131-L135 PolarHBondContact O-N 2.84Å
132I94.8Very high92.5Very high11 Ų1159.6 Ų59.66%0.05635%0.348CS..Hα-helixtrans-61.6-43.3173.2-65.9165.3000110.7M112 V113 A116 I128 G129 L135 K136 F142M112-I132 HydrophobicContact CB-CD1 4.05Å; M112-I132 HydrophobicContact CB-CG1 4.24Å; M112-I132 HydrophobicContact CE-CG1 3.94Å; M112-I132 VanDerWaalsContact O-CD1 3.3Å; M112-I132 WeakPolarHBondContact O-CD1 3.27Å; V113-I132 HydrophobicContact CG2-CD1 4.35Å; A116-I132 HydrophobicContact CB-CD1 3.66Å; I128-I132 HydrophobicContact CG2-CD1 4.04Å; I128-I132 WeakPolarHBondContact O-CG1 3.37Å; I128-I132 PolarHBondContact O-N 3.4Å; G129-I132 PolarHBondContact O-N 2.94Å; I132-L135 PolarHBondContact O-N 3.38Å; I132-K136 HydrophobicContact CG2-CD 4.2Å; I132-K136 WeakPolarHBondContact O-CG 3.42Å; I132-K136 PolarHBondContact O-N 3.1Å; I132-F142 HydrophobicContact CB-CE1 4.4Å; I132-F142 HydrophobicContact CB-CZ 4.27Å; I132-F142 HydrophobicContact CG1-CE1 3.93Å; I132-F142 HydrophobicContact CG1-CZ 4.18Å; I132-F142 HydrophobicContact CG2-CD1 4.12Å; I132-F142 HydrophobicContact CG2-CD2 4.11Å; I132-F142 HydrophobicContact CG2-CE1 4.03Å; I132-F142 HydrophobicContact CG2-CE2 4.03Å; I132-F142 HydrophobicContact CG2-CG 4.16Å; I132-F142 HydrophobicContact CG2-CZ 3.99Å
133K94.3Very high92.5Very high134 Ų13460.7 Ų60.758%0.58336%0.357SS*.Hα-helixtrans-61-49.5177.4-172.4179.8176.5-169.40111.5G129 A130 T131 L135 K136 E137G129-K133 PolarHBondContact O-N 3.09Å; A130-K133 PolarHBondContact O-N 3.03Å; T131-K133 VanDerWaalsContact C-N 3.35Å; K133-L135 VanDerWaalsContact C-N 3.29Å; K133-L135 PolarHBondContact O-N 2.91Å; K133-K136 WeakPolarHBondContact O-CB 3.41Å; K133-K136 PolarHBondContact O-N 2.85Å; K133-K136 VanDerWaalsContact O-N 3.14Å; K133-E137 WeakPolarHBondContact CE-OE1 3.36Å; K133-E137 IonicContact NZ-OE1 3.06Å; K133-E137 WeakPolarHBondContact O-CG 3.3Å; K133-E137 PolarHBondContact O-N 3.04Å
134S94.9Very high91.9Very high37 Ų3759.7 Ų59.726%0.25936%0.358SS..Hα-helixtrans-57.4-41.3174.9-172.70000112R94 A130 T131 E137 E138R94-S134 PolarHBondContact NH2-OG 3.25Å; A130-S134 PolarHBondContact O-N 2.76Å; T131-S134 PolarHBondContact O-N 3.3Å; S134-E137 WeakPolarHBondContact O-CB 3.25Å; S134-E137 PolarHBondContact O-N 2.83Å; S134-E138 WeakPolarHBondContact O-CB 3.46Å; S134-E138 VanDerWaalsContact O-CG 3.27Å; S134-E138 WeakPolarHBondContact O-CG 3.44Å; S134-E138 PolarHBondContact O-N 3.25Å; S134-E138 PolarHBondContact OG-OE1 3.27Å
135L94.3Very high90.5Very high2 Ų256 Ų561%0.0135%0.349CS..Hα-helixtrans-67.7-36177.6-75.1167.7000112.3V93 R94 L97 M112 T131 I132 K133 E138 G139 V140 F142V93-L135 HydrophobicContact CG1-CD1 3.9Å; R94-L135 HydrophobicContact CG-CD2 3.78Å; L97-L135 HydrophobicContact CD1-CD1 3.89Å; L97-L135 HydrophobicContact CD1-CD2 4.3Å; M112-L135 HydrophobicContact CE-CD1 4.4Å; T131-L135 HydrophobicContact CG2-CD1 3.92Å; T131-L135 WeakPolarHBondContact O-CB 3.46Å; T131-L135 VanDerWaalsContact O-CG 3.28Å; T131-L135 WeakPolarHBondContact O-CG 3.38Å; T131-L135 PolarHBondContact O-N 2.84Å; I132-L135 PolarHBondContact O-N 3.38Å; K133-L135 VanDerWaalsContact C-N 3.29Å; K133-L135 PolarHBondContact O-N 2.91Å; L135-E138 CarbonylContact O-C 3.43Å; L135-E138 WeakPolarHBondContact O-CB 3.25Å; L135-E138 PolarHBondContact O-N 3.38Å; L135-G139 PolarHBondContact O-N 3.34Å; L135-V140 HydrophobicContact CB-CB 4.18Å; L135-V140 HydrophobicContact CB-CG2 4.36Å; L135-V140 HydrophobicContact CD2-CG2 4.17Å; L135-V140 WeakPolarHBondContact O-CA 3.36Å; L135-V140 WeakPolarHBondContact O-CB 3.49Å; L135-V140 WeakPolarHBondContact O-CG2 3.33Å; L135-V140 PolarHBondContact O-N 3Å; L135-F142 HydrophobicContact CB-CE2 3.63Å; L135-F142 HydrophobicContact CB-CZ 3.71Å; L135-F142 HydrophobicContact CD1-CZ 3.87Å; L135-F142 HydrophobicContact CG-CZ 4.45Å
136K93.9Very high88.2Confident117 Ų11761 Ų6151%0.50938%0.38SS..Hα-helixtrans-64.7-39171.6-73.4176.7177.5-177.40111.8I132 K133 E138 G139 F142I132-K136 HydrophobicContact CG2-CD 4.2Å; I132-K136 WeakPolarHBondContact O-CG 3.42Å; I132-K136 PolarHBondContact O-N 3.1Å; K133-K136 WeakPolarHBondContact O-CB 3.41Å; K133-K136 PolarHBondContact O-N 2.85Å; K133-K136 VanDerWaalsContact O-N 3.14Å; K136-E138 VanDerWaalsContact C-N 3.34Å; K136-G139 PolarHBondContact O-N 3.01Å; K136-F142 HydrophobicContact CD-CD2 4.3Å; K136-F142 HydrophobicContact CG-CD2 3.61Å; K136-F142 HydrophobicContact CG-CE2 3.95Å
137E94.6Very high85.6Confident139 Ų13962.5 Ų62.565%0.6539%0.39SS*.Hα-helixtrans-67.4-32.5173.1-68.7166.3176.700112.1K133 S134 G139K133-E137 WeakPolarHBondContact CE-OE1 3.36Å; K133-E137 IonicContact NZ-OE1 3.06Å; K133-E137 WeakPolarHBondContact O-CG 3.3Å; K133-E137 PolarHBondContact O-N 3.04Å; S134-E137 WeakPolarHBondContact O-CB 3.25Å; S134-E137 PolarHBondContact O-N 2.83Å; E137-G139 PolarHBondContact O-N 3.07Å
138E92.9Very high82.9Confident102 Ų10265.9 Ų65.948%0.47741%0.405SS..THydrogen-bonded Turntrans-72.72.6168.6-68.7160-125.500113.2R94 S134 L135 K136R94-E138 IonicContact CZ-OE1 2.67Å; R94-E138 IonicContact CZ-OE2 2.68Å; R94-E138 IonicContact NE-OE1 2.65Å; R94-E138 PolarHBondContact NE-OE1 3.42Å; R94-E138 IonicContact NE-OE2 3.76Å; R94-E138 PolarHBondContact NE-OE2 3.49Å; R94-E138 VanDerWaalsContact NE-OE2 3.09Å; R94-E138 IonicContact NH2-OE1 3.87Å; R94-E138 PolarHBondContact NH2-OE1 3Å; R94-E138 IonicContact NH2-OE2 3.2Å; S134-E138 WeakPolarHBondContact O-CB 3.46Å; S134-E138 VanDerWaalsContact O-CG 3.27Å; S134-E138 WeakPolarHBondContact O-CG 3.44Å; S134-E138 PolarHBondContact O-N 3.25Å; S134-E138 PolarHBondContact OG-OE1 3.27Å; L135-E138 CarbonylContact O-C 3.43Å; L135-E138 WeakPolarHBondContact O-CB 3.25Å; L135-E138 PolarHBondContact O-N 3.38Å; K136-E138 VanDerWaalsContact C-N 3.34Å
139G89.7Confident79.9Confident66 Ų6669 Ų6968%0.6844%0.438SS*.THydrogen-bonded Turntrans87.56.6177.400000115.5L135 K136 E137 S141L135-G139 PolarHBondContact O-N 3.34Å; K136-G139 PolarHBondContact O-N 3.01Å; E137-G139 PolarHBondContact O-N 3.07Å; G139-S141 PolarHBondContact O-N 3.18Å
140V92.3Very high77.1Confident37 Ų3773.1 Ų73.122%0.22446%0.461CS..  trans-79.3110.6179.7-175.20000110.4L97 K109 L135 F142L97-V140 HydrophobicContact CD1-CG1 4.49Å; K109-V140 HydrophobicContact CD-CG1 4.47Å; K109-V140 VanDerWaalsContact CE-CG1 3.4Å; L135-V140 HydrophobicContact CB-CB 4.18Å; L135-V140 HydrophobicContact CB-CG2 4.36Å; L135-V140 HydrophobicContact CD2-CG2 4.17Å; L135-V140 WeakPolarHBondContact O-CA 3.36Å; L135-V140 WeakPolarHBondContact O-CB 3.49Å; L135-V140 WeakPolarHBondContact O-CG2 3.33Å; L135-V140 PolarHBondContact O-N 3Å; V140-F142 HydrophobicContact CB-CE2 4.15Å; V140-F142 HydrophobicContact CG1-CD2 4.4Å; V140-F142 HydrophobicContact CG1-CE2 3.95Å; V140-F142 HydrophobicContact CG1-CZ 4.42Å; V140-F142 WeakPolarHBondContact O-CD2 3.3Å; V140-F142 WeakPolarHBondContact O-CE2 3.27Å
141S91.5Very high74.6Confident93 Ų9375.9 Ų75.965%0.6548%0.477SS*.  trans-66.6141168.7-176.50000111.6K109 G139K109-S141 WeakPolarHBondContact CD-O 3.46Å; K109-S141 WeakPolarHBondContact CE-O 3.27Å; K109-S141 PolarHBondContact NZ-O 2.96Å; G139-S141 PolarHBondContact O-N 3.18Å
142F92.2Very high71.5Confident18 Ų1880.7 Ų80.78%0.07951%0.507CS..  trans-121.8154.4175.1-75.4-101.1000109.1K109 V113 I132 L135 K136 V140K109-F142 HydrophobicContact CB-CD1 3.74Å; K109-F142 HydrophobicContact CB-CE1 4.08Å; K109-F142 HydrophobicContact CG-CD1 3.89Å; K109-F142 HydrophobicContact CG-CE1 3.9Å; V113-F142 HydrophobicContact CG2-CB 4.18Å; V113-F142 HydrophobicContact CG2-CD1 3.84Å; V113-F142 HydrophobicContact CG2-CG 4.39Å; I132-F142 HydrophobicContact CB-CE1 4.4Å; I132-F142 HydrophobicContact CB-CZ 4.27Å; I132-F142 HydrophobicContact CG1-CE1 3.93Å; I132-F142 HydrophobicContact CG1-CZ 4.18Å; I132-F142 HydrophobicContact CG2-CD1 4.12Å; I132-F142 HydrophobicContact CG2-CD2 4.11Å; I132-F142 HydrophobicContact CG2-CE1 4.03Å; I132-F142 HydrophobicContact CG2-CE2 4.03Å; I132-F142 HydrophobicContact CG2-CG 4.16Å; I132-F142 HydrophobicContact CG2-CZ 3.99Å; L135-F142 HydrophobicContact CB-CE2 3.63Å; L135-F142 HydrophobicContact CB-CZ 3.71Å; L135-F142 HydrophobicContact CD1-CZ 3.87Å; L135-F142 HydrophobicContact CG-CZ 4.45Å; K136-F142 HydrophobicContact CD-CD2 4.3Å; K136-F142 HydrophobicContact CG-CD2 3.61Å; K136-F142 HydrophobicContact CG-CE2 3.95Å; V140-F142 HydrophobicContact CB-CE2 4.15Å; V140-F142 HydrophobicContact CG1-CD2 4.4Å; V140-F142 HydrophobicContact CG1-CE2 3.95Å; V140-F142 HydrophobicContact CG1-CZ 4.42Å; V140-F142 WeakPolarHBondContact O-CD2 3.3Å; V140-F142 WeakPolarHBondContact O-CE2 3.27Å
143P88.8Confident68.5Low60 Ų6089.5 Ų89.539%0.3955%0.545SS..  trans-58.4154.8169.927.5-34.6000111A110A110-P143 HydrophobicContact CB-CG 4.18Å
144A76.8Confident65.3Low87 Ų8789 Ų8972%0.71955%0.552SS**  trans-59.8144.8163.500000109.1T146A144-T146 PolarHBondContact O-N 2.96Å; A144-T146 VanDerWaalsContact O-N 3.17Å
145A57.3Low62.2Low48 Ų4893.1 Ų93.140%0.39758%0.581SS.*  trans-72.6110.4-179.700000109.6V113 E117 S147V113-A145 HydrophobicContact CG1-CB 3.54Å; E117-A145 HydrophobicContact CG-CB 4.41Å; E117-A145 VanDerWaalsContact OE1-CB 3.29Å; E117-A145 WeakPolarHBondContact OE1-CB 3.45Å; A145-S147 PolarHBondContact O-N 2.97Å
146T43.6Very low59.2Low113 Ų11398.3 Ų98.369%0.69361%0.613SS**  trans-88.997.617750.70000108.7A144 Q148A144-T146 PolarHBondContact O-N 2.96Å; A144-T146 VanDerWaalsContact O-N 3.17Å; T146-Q148 VanDerWaalsContact C-N 3.28Å; T146-Q148 PolarHBondContact O-N 2.85Å
147S37.4Very low56.2Low106 Ų10699.2 Ų99.274%0.74163%0.631SS**  trans-63.283.8175.557.20000111.3A145A145-S147 PolarHBondContact O-N 2.97Å
148Q38.1Very low52.9Low119 Ų11996.7 Ų96.756%0.55663%0.634SS**  trans-92.998.9173.6-75-149.5-2500111T146 T152T146-Q148 VanDerWaalsContact C-N 3.28Å; T146-Q148 PolarHBondContact O-N 2.85Å; Q148-T152 PolarHBondContact NE2-O 2.84Å; Q148-T152 PolarHBondContact NE2-OG1 3.04Å
149G30.8Very low50.2Low67 Ų6797.4 Ų97.469%0.69165%0.647SS**SBendtrans-64.8135.4134.200000108.7
150S32.6Very low47.7Very low116 Ų116101.7 Ų101.781%0.81166%0.655SS**SBendtrans21.7104.9163.1-54.20000118.9
151S41.8Very low44.7Very low114 Ų114109.7 Ų109.780%0.79769%0.686SS**  trans59.883.7149-60.80000118.4
152T27.9Very low42Very low109 Ų109109.2 Ų109.267%0.66968%0.68SS**  trans-127.9145.3146.419.40000112.6Q148Q148-T152 PolarHBondContact NE2-O 2.84Å; Q148-T152 PolarHBondContact NE2-OG1 3.04Å
153K32.2Very low39.5Very low196 Ų196114 Ų11485%0.85271%0.713SS**  trans-66.6145.8-160.8-66.6168-179.6168.10113.8
154V28.1Very low37.3Very low123 Ų123115.3 Ų115.375%0.74572%0.717SS**  trans-51.9139.21591720000110.7T156V154-T156 HydrophobicContact CG1-CG2 4.41Å
155S29.2Very low35.9Very low124 Ų124117.7 Ų117.787%0.86772%0.717SS**  trans-143.3117.6147.5-91.20000111
156T31.6Very low35.6Very low110 Ų110122 Ų12268%0.67573%0.733SS**  trans-86.4152.6171.846.20000111.5V154 A158V154-T156 HydrophobicContact CG1-CG2 4.41Å; T156-A158 PolarHBondContact O-N 3.34Å
157P30.1Very low36.3Very low136 Ų136121.6 Ų121.688%0.88373%0.727SS**  trans-73.2124.1174.830.2-34.3000112.3
158A26.6Very low37.1Very low87 Ų87121 Ų12172%0.71972%0.715SS**  trans-155.2163.1168.200000108.2T156T156-A158 PolarHBondContact O-N 3.34Å
159P36.1Very low38.2Very low116 Ų116118.1 Ų118.175%0.75371%0.712SS**  trans-78.1158.7-14331.4-38.1000115.8K161P159-K161 PolarHBondContact O-N 2.89Å
160N36.4Very low39.9Very low156 Ų156121.1 Ų121.183%0.83471%0.706SS**  trans2.1104.2164.4-60.913.9000116.1
161K29.3Very low41.2Very low205 Ų205117.8 Ų117.889%0.89169%0.685SS**  trans-111.3122.7141.3-72.5-169.2171.8-168.20107.3P159P159-K161 PolarHBondContact O-N 2.89Å
162T35.4Very low42.3Very low83 Ų83117.3 Ų117.351%0.50967%0.673SS.*  trans-79.1159.3-180430000110.7D164T162-D164 WeakPolarHBondContact CB-OD2 3.36Å; T162-D164 WeakPolarHBondContact CG2-OD2 3.03Å; T162-D164 PolarHBondContact O-N 3.33Å; T162-D164 PolarHBondContact OG1-OD2 2.86Å
163P39.8Very low43.9Very low119 Ų119118.1 Ų118.177%0.77367%0.669SS**SBendtrans-75.527.8170.335.1-37000112.4
164D42.6Very low45.3Very low88 Ų88114.8 Ų114.847%0.47166%0.66SS.*Hα-helixtrans-80.7-15.2-170-73.4-42.5000114T162 D166 D167 L168T162-D164 WeakPolarHBondContact CB-OD2 3.36Å; T162-D164 WeakPolarHBondContact CG2-OD2 3.03Å; T162-D164 PolarHBondContact O-N 3.33Å; T162-D164 PolarHBondContact OG1-OD2 2.86Å; D164-D166 PolarHBondContact O-N 3.45Å; D164-D167 PolarHBondContact O-N 2.82Å; D164-L168 WeakPolarHBondContact O-CA 3.1Å; D164-L168 WeakPolarHBondContact O-CB 3.38Å; D164-L168 PolarHBondContact O-N 2.93Å
165D46.2Very low46.7Very low137 Ų137112.5 Ų112.573%0.73365%0.649SS**Hα-helixtrans-64.2-41.6-172.2-104.4-84.6000113A169D165-A169 WeakPolarHBondContact O-CB 3.27Å; D165-A169 PolarHBondContact O-N 3.12Å
166D51.8Low48.1Very low137 Ų137112.3 Ų112.373%0.73364%0.638SS**Hα-helixtrans-70-39.8175.7-80.8-76.7000112.8D164 K170D164-D166 PolarHBondContact O-N 3.45Å; D166-K170 PolarHBondContact O-N 2.98Å; D166-K170 VanDerWaalsContact O-N 3.1Å
167D58.3Low49.3Very low105 Ų105112.9 Ų112.956%0.56163%0.633SS**Hα-helixtrans-76.5-27.2177-96.2-49.7000112.6D164 A171D164-D167 PolarHBondContact O-N 2.82Å; D167-A171 WeakPolarHBondContact O-CB 3.37Å; D167-A171 PolarHBondContact O-N 3.39Å
168L54.5Low50.6Low93 Ų93112.5 Ų112.549%0.48762%0.619SS.*Hα-helixtrans-73.7-39.1172.4-178.761.5000110.9D164 A171 I172D164-L168 WeakPolarHBondContact O-CA 3.1Å; D164-L168 WeakPolarHBondContact O-CB 3.38Å; D164-L168 PolarHBondContact O-N 2.93Å; L168-A171 PolarHBondContact O-N 3.2Å; L168-I172 HydrophobicContact CD1-CD1 4.04Å; L168-I172 HydrophobicContact CD1-CG1 4.18Å; L168-I172 HydrophobicContact CG-CD1 3.95Å; L168-I172 HydrophobicContact CG-CG1 4.5Å; L168-I172 WeakPolarHBondContact O-CB 3.12Å; L168-I172 VanDerWaalsContact O-CG1 3.26Å; L168-I172 WeakPolarHBondContact O-CG1 3.39Å; L168-I172 PolarHBondContact O-N 2.84Å
169A61.2Low51.6Low60 Ų60116.1 Ų116.150%0.49662%0.621SS.*Hα-helixtrans-57.5-49.1169.900000110.6D165 I172 E173D165-A169 WeakPolarHBondContact O-CB 3.27Å; D165-A169 PolarHBondContact O-N 3.12Å; A169-I172 PolarHBondContact O-N 2.99Å; A169-E173 WeakPolarHBondContact O-CB 3.3Å; A169-E173 PolarHBondContact O-N 3.1Å
170K66.8Low52.2Low130 Ų130118.8 Ų118.857%0.56562%0.621SS**Hα-helixtrans-61-42.6172.5-82179.5177.6168.60113.4D166 E173 L174D166-K170 PolarHBondContact O-N 2.98Å; D166-K170 VanDerWaalsContact O-N 3.1Å; K170-E173 PolarHBondContact O-N 3.18Å; K170-L174 WeakPolarHBondContact O-CB 3.5Å; K170-L174 PolarHBondContact O-N 2.94Å
171A59.2Low52.7Low46 Ų46119.4 Ų119.438%0.3862%0.619SS.*Hα-helixtrans-68.5-35.3-177.300000112D167 L168 S175D167-A171 WeakPolarHBondContact O-CB 3.37Å; D167-A171 PolarHBondContact O-N 3.39Å; L168-A171 PolarHBondContact O-N 3.2Å; A171-S175 VanDerWaalsContact O-CB 3.22Å; A171-S175 WeakPolarHBondContact O-CB 3.48Å; A171-S175 PolarHBondContact O-N 3.09Å; A171-S175 PolarHBondContact O-OG 3.15Å
172I65.1Low53.2Low103 Ų103117.1 Ų117.153%0.52861%0.612SS.*Hα-helixtrans-68-43.6171.6-68.8167.7000110.1L168 A169 S175 L176L168-I172 HydrophobicContact CD1-CD1 4.04Å; L168-I172 HydrophobicContact CD1-CG1 4.18Å; L168-I172 HydrophobicContact CG-CD1 3.95Å; L168-I172 HydrophobicContact CG-CG1 4.5Å; L168-I172 WeakPolarHBondContact O-CB 3.12Å; L168-I172 VanDerWaalsContact O-CG1 3.26Å; L168-I172 WeakPolarHBondContact O-CG1 3.39Å; L168-I172 PolarHBondContact O-N 2.84Å; A169-I172 PolarHBondContact O-N 2.99Å; I172-S175 PolarHBondContact O-N 3.03Å; I172-L176 WeakPolarHBondContact O-CB 3.41Å; I172-L176 PolarHBondContact O-N 2.99Å
173E62.2Low53.3Low127 Ų127117.6 Ų117.659%0.59362%0.624SS**Hα-helixtrans-63.4-45.8177.1-169.4168.9-147.100111.9A169 K170 S175 L176 Q177A169-E173 WeakPolarHBondContact O-CB 3.3Å; A169-E173 PolarHBondContact O-N 3.1Å; K170-E173 PolarHBondContact O-N 3.18Å; E173-S175 PolarHBondContact O-N 3.3Å; E173-L176 PolarHBondContact O-N 3.5Å; E173-Q177 WeakPolarHBondContact O-CB 3.34Å; E173-Q177 PolarHBondContact O-N 3.46Å
174L60.5Low53.3Low125 Ų125119.9 Ų119.965%0.65462%0.624SS**Hα-helixtrans-59.1-46172.8-111.271.1000111.9K170 L176 Q177 E178K170-L174 WeakPolarHBondContact O-CB 3.5Å; K170-L174 PolarHBondContact O-N 2.94Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-L176 PolarHBondContact O-N 3.17Å; L174-Q177 WeakPolarHBondContact O-CB 3.13Å; L174-Q177 PolarHBondContact O-N 3.38Å; L174-Q177 VanDerWaalsContact O-N 3.16Å; L174-E178 PolarHBondContact O-N 2.86Å
175S58.4Low52.9Low76 Ų76122.2 Ų122.253%0.53164%0.642SS.*Hα-helixtrans-61.8-38.4179.2-63.10000112A171 I172 E173 Q179A171-S175 VanDerWaalsContact O-CB 3.22Å; A171-S175 WeakPolarHBondContact O-CB 3.48Å; A171-S175 PolarHBondContact O-N 3.09Å; A171-S175 PolarHBondContact O-OG 3.15Å; I172-S175 PolarHBondContact O-N 3.03Å; E173-S175 PolarHBondContact O-N 3.3Å; S175-Q179 VanDerWaalsContact O-CB 3.25Å; S175-Q179 WeakPolarHBondContact O-CB 3.27Å; S175-Q179 PolarHBondContact O-N 2.88Å
176L59Low52.2Low119 Ų119125.8 Ų125.862%0.62365%0.645SS**Hα-helixtrans-72.8-30.5177.6-159.968.4000111.9I172 E173 L174I172-L176 WeakPolarHBondContact O-CB 3.41Å; I172-L176 PolarHBondContact O-N 2.99Å; E173-L176 PolarHBondContact O-N 3.5Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-L176 PolarHBondContact O-N 3.17Å
177Q56.2Low51.5Low122 Ų122124.5 Ų124.557%0.5764%0.644SS**Hα-helixtrans-67.5-47.7171.1-134.975.1-42.800111.5E173 L174 K180E173-Q177 WeakPolarHBondContact O-CB 3.34Å; E173-Q177 PolarHBondContact O-N 3.46Å; L174-Q177 WeakPolarHBondContact O-CB 3.13Å; L174-Q177 PolarHBondContact O-N 3.38Å; L174-Q177 VanDerWaalsContact O-N 3.16Å; Q177-K180 WeakPolarHBondContact O-CB 3.35Å; Q177-K180 PolarHBondContact O-N 2.65Å
178E58.2Low50.1Low129 Ų129125.3 Ų125.360%0.60365%0.648SS**Hα-helixtrans-69.7-41.1-176.9-168.2175.9122.500112.1L174 K180 Q181L174-E178 PolarHBondContact O-N 2.86Å; E178-K180 PolarHBondContact O-N 3.5Å; E178-K180 VanDerWaalsContact O-N 3.07Å; E178-Q181 PolarHBondContact O-N 2.78Å
179Q47.1Very low48.8Very low163 Ų163127.8 Ų127.876%0.76267%0.667SS**THydrogen-bonded Turntrans-62.7-16.9176.7-169166.789.500112.9S175S175-Q179 VanDerWaalsContact O-CB 3.25Å; S175-Q179 WeakPolarHBondContact O-CB 3.27Å; S175-Q179 PolarHBondContact O-N 2.88Å
180K47.8Very low47.3Very low172 Ų172132.3 Ų132.375%0.74868%0.682SS**THydrogen-bonded Turntrans-84.4-12.4174.3-161.4174.1179.7-179.90114Q177 E178Q177-K180 WeakPolarHBondContact O-CB 3.35Å; Q177-K180 PolarHBondContact O-N 2.65Å; E178-K180 PolarHBondContact O-N 3.5Å; E178-K180 VanDerWaalsContact O-N 3.07Å
181Q47Very low45.4Very low168 Ų168132.6 Ų132.679%0.78569%0.694SS**THydrogen-bonded Turntrans-106.7-12.2-176.2-68.6-169.1-3.200115.3E178E178-Q181 PolarHBondContact O-N 2.78Å
182Q40.4Very low43.9Very low158 Ų158134.3 Ų134.374%0.73871%0.709SS**SBendtrans-93.317178.1-67.1-168.517.800115.1E184Q182-E184 PolarHBondContact O-N 2.76Å
183A37.3Very low42Very low92 Ų92137.1 Ų137.176%0.7673%0.725SS**SBendtrans-77.9-13.4-178.100000114.9
184E39.6Very low41.5Very low168 Ų168136.3 Ų136.379%0.78573%0.731SS**SBendtrans-128.1131-177.4-98179.580.200114.5Q182Q182-E184 PolarHBondContact O-N 2.76Å
185T33.8Very low40.8Very low137 Ų137135.4 Ų135.484%0.8473%0.733SS**  trans72.5104.7166.467.80000119.8
186R31.3Very low39.4Very low212 Ų212138 Ų13880%0.875%0.746SS**  trans-90.6164.4145.5-111-175.1172.9-173.5-1.3108.2
187P37.7Very low37.9Very low109 Ų109139.5 Ų139.571%0.70875%0.754SS**  cis-148152.240.240-19.2000120
188L28.6Very low36.5Very low123 Ų123139 Ų13964%0.64476%0.76SS**  trans32128.2131.4-53167.6000121.7
189T28.2Very low35.3Very low145 Ų145141.1 Ų141.189%0.8978%0.775SS**  -173.7174.1114.2210000112.1
190L29.8Very low34.4Very low154 Ų154137.3 Ų137.381%0.80678%0.779SS**  trans-109.5160.9-173.3-50.985.4000112.3
191T26.6Very low33.4Very low136 Ų136133 Ų13383%0.83478%0.783SS**  167.1140.1109.444.10000115.3
192A26.8Very low32.6Very low83 Ų83128.7 Ų128.769%0.68678%0.784SS**  trans59.9104.9139.900000123.5
193D26.4Very low32.4Very low161 Ų161125.2 Ų125.286%0.86179%0.791SS**  68.3159118.1-76.4-65000123.5
194P51.8Low32.4Very low111 Ų111129.4 Ų129.472%0.72179%0.794SS**  trans-97.6177.9-149.442.9-41000114.1
195P45.5Very low33Very low106 Ų106130.3 Ų130.369%0.68880%0.799SS**  cis-151.5-168.430.445.9-24000120
196T28.2Very low34.7Very low131 Ų131129.7 Ų129.780%0.80479%0.789SS**  trans80.1107.915946.90000121.6
197N28.3Very low37.1Very low150 Ų150124.7 Ų124.780%0.80277%0.77SS**  trans88.7152.7134.6-151.216.8000120.6
198T26.3Very low39.5Very low112 Ų112124.8 Ų124.869%0.68776%0.759SS**  trans63.8115.8168.5480000120.8
199N33.8Very low42.4Very low173 Ų173118.9 Ų118.993%0.92573%0.729SS**  trans48.4130.2147.3-72.310.8000122.5
200G26.8Very low45.3Very low83 Ų83113.6 Ų113.686%0.85669%0.692SS**  trans136.3124.7164.800000111.4
201G28Very low48.2Very low80 Ų80106.4 Ų106.483%0.82566%0.655SS**  cis173.862.2-1.300000113
202G30Very low51Low78 Ų78103.5 Ų103.580%0.80463%0.634SS**  trans-84.8106.7168.300000109.9Q204G202-Q204 PolarHBondContact O-N 2.8Å
203G34.7Very low53.8Low85 Ų85106.2 Ų106.288%0.87663%0.627SS**  trans-77.281.4-174.700000113.5
204Q38.4Very low56.8Low180 Ų180102.5 Ų102.584%0.84161%0.608SS**  trans-76.8127.3157.1-74-176.9-43.300108.8G202 I206G202-Q204 PolarHBondContact O-N 2.8Å; Q204-I206 PolarHBondContact O-N 2.98Å
205E53.1Low58.6Low187 Ų18798.6 Ų98.687%0.87458%0.579SS**  trans-64.9125.2170.3-65.7-169.6119.400109.2R207E205-R207 VanDerWaalsContact C-N 3.27Å; E205-R207 PolarHBondContact O-N 3.38Å
206I67.6Low60.8Low124 Ų124100.9 Ų100.964%0.63658%0.581SS**  trans-72.185.9-178.2-56.2176.7000108.2Q204 K208 I232Q204-I206 PolarHBondContact O-N 2.98Å; I206-K208 PolarHBondContact O-N 3.44Å; I206-K208 VanDerWaalsContact O-N 3.12Å; I206-I232 HydrophobicContact CG2-CG1 4.32Å; I206-I232 HydrophobicContact CG2-CG2 3.56Å
207R82.3Confident63.7Low108 Ų10896.2 Ų96.241%0.40856%0.556SS.*  trans-62.9114.2-177.3-167.9-169.3-61.7169.411.5109.2E205 V233 D236E205-R207 VanDerWaalsContact C-N 3.27Å; E205-R207 PolarHBondContact O-N 3.38Å; R207-V233 HydrophobicContact CB-CB 4.39Å; R207-V233 PolarHBondContact O-N 3.48Å; R207-D236 IonicContact CZ-OD2 2.8Å; R207-D236 IonicContact NH1-OD2 3.59Å; R207-D236 PolarHBondContact NH1-OD2 3.06Å; R207-D236 IonicContact NH2-OD1 3.21Å; R207-D236 IonicContact NH2-OD2 2.76Å; R207-D236 PolarHBondContact NH2-OD2 2.68Å
208K87.8Confident66.1Low110 Ų11093.7 Ų93.748%0.47856%0.555SS.*EExtended strand (participates in β ladder)trans-98.6140.1172.6-67179.3-175.3179.20109.3I206 I231 I232 L262I206-K208 PolarHBondContact O-N 3.44Å; I206-K208 VanDerWaalsContact O-N 3.12Å; K208-I231 WeakPolarHBondContact CA-O 3.43Å; K208-I232 HydrophobicContact CG-CG1 4.23Å; K208-L262 HydrophobicContact CB-CD1 4.19Å
209V89.4Confident68.9Low0 Ų094 Ų940%055%0.549CS..EExtended strand (participates in β ladder)trans-129164172.9-62.30000108.5L230 I231 V233 W242 F253 V258 T259 T260V209-L230 WeakPolarHBondContact O-CA 3.46Å; V209-I231 HydrophobicContact CG2-CB 4.03Å; V209-I231 PolarHBondContact N-O 3.22Å; V209-I231 PolarHBondContact O-N 3.04Å; V209-V233 HydrophobicContact CB-CG2 4.31Å; V209-V233 HydrophobicContact CG1-CG2 3.7Å; V209-V233 HydrophobicContact CG2-CG2 3.66Å; V209-W242 HydrophobicContact CG1-CZ3 4.29Å; V209-F253 HydrophobicContact CG2-CZ 4.36Å; V209-V258 HydrophobicContact CB-CB 3.98Å; V209-V258 HydrophobicContact CB-CG2 4.04Å; V209-V258 HydrophobicContact CG1-CG2 4.45Å; V209-V258 HydrophobicContact CG2-CB 3.84Å; V209-V258 HydrophobicContact CG2-CG1 3.98Å; V209-V258 HydrophobicContact CG2-CG2 3.87Å; V209-T259 CarbonylContact C-O 3.41Å; V209-T259 VanDerWaalsContact CA-O 3.29Å; V209-T259 WeakPolarHBondContact CA-O 3.36Å; V209-T259 WeakPolarHBondContact CB-O 3.18Å; V209-T260 HydrophobicContact CG1-CG2 4.13Å
210R89.6Confident71.1Confident34 Ų3494.3 Ų94.313%0.12855%0.551CS.*EExtended strand (participates in β ladder)trans-126.9133.5-178.8-165.1-179.465.9174.818.7110.7L212 G228 E229 L230 V258 T259 L262 A264R210-L212 PolarHBondContact O-N 3.47Å; R210-G228 WeakPolarHBondContact CG-O 3.35Å; R210-E229 CarbonylContact C-O 3.51Å; R210-E229 WeakPolarHBondContact CA-O 3.17Å; R210-E229 WeakPolarHBondContact CG-O 3.34Å; R210-L230 HydrophobicContact CB-CD2 3.85Å; R210-L230 HydrophobicContact CG-CD2 3.88Å; R210-V258 CarbonylContact O-C 3.57Å; R210-V258 VanDerWaalsContact O-CA 3.24Å; R210-V258 WeakPolarHBondContact O-CA 3.28Å; R210-T259 HydrophobicContact CB-CG2 4.41Å; R210-T259 PolarHBondContact N-O 2.96Å; R210-T259 PolarHBondContact O-N 2.92Å; R210-L262 HydrophobicContact CB-CD2 4.1Å; R210-L262 VanDerWaalsContact NH1-C 3.29Å; R210-L262 PolarHBondContact NH1-O 3.4Å; R210-A264 PolarHBondContact NH1-O 2.9Å; R210-A264 PolarHBondContact NH2-O 3.33Å
211A90.4Very high74Confident2 Ų294.3 Ų94.32%0.01753%0.531CS..EExtended strand (participates in β ladder)trans-58.7131.417600000111.7F225 K226 G228 E229 F257A211-F225 HydrophobicContact CB-CD2 3.39Å; A211-F225 HydrophobicContact CB-CE2 3.54Å; A211-F225 HydrophobicContact CB-CG 4.38Å; A211-K226 WeakPolarHBondContact CB-O 3.5Å; A211-G228 PolarHBondContact O-N 3.46Å; A211-E229 HydrophobicContact CB-CB 4.46Å; A211-E229 PolarHBondContact N-O 3.06Å; A211-F257 WeakPolarHBondContact CA-O 3.45Å
212L85.7Confident77Confident76 Ų7692.1 Ų92.140%0.39850%0.5SS..SBendtrans-87.7-31.3170.4-67.1173.7000111.4R210 F257 T259R210-L212 PolarHBondContact O-N 3.47Å; L212-F257 PolarHBondContact N-O 3.21Å; L212-T259 HydrophobicContact CD2-CG2 3.6Å; L212-T259 HydrophobicContact CG-CG2 4.15Å
213Y85.8Confident79.9Confident140 Ų14088.7 Ų88.755%0.54946%0.463SS..SBendtrans-135.2166.1-176-50.5-63.5000110.8F225 F257Y213-F225 WeakPolarHBondContact O-CE2 3.33Å; Y213-F257 HydrophobicContact CD2-CD1 4.22Å; Y213-F257 HydrophobicContact CD2-CE1 4.49Å; Y213-F257 HydrophobicContact CD2-CG 4.33Å
214D88.9Confident82.5Confident83 Ų8386.7 Ų86.744%0.44443%0.434SS..  trans-68.7139.1166.1-79.87.4000110.4K226 A227D214-K226 HydrophobicContact CB-CD 4.19Å; D214-K226 WeakPolarHBondContact OD1-CA 3.26Å; D214-K226 WeakPolarHBondContact OD1-CD 3.36Å; D214-K226 WeakPolarHBondContact OD2-CD 3.47Å; D214-K226 WeakPolarHBondContact OD2-CE 3.33Å; D214-K226 IonicContact OD2-NZ 2.67Å; D214-K226 PolarHBondContact OD2-NZ 3.05Å; D214-A227 PolarHBondContact OD1-N 3.38Å
215F90.7Very high85.1Confident29 Ų2978.1 Ų78.113%0.12739%0.394CS..BIsolated β-bridgetrans-135.1132.7171.1-175.7-108.2000109.7E222 L223 T224 F225 W241 F253 P254 F257F215-E222 HydrophobicContact CE1-CB 4.28Å; F215-L223 WeakPolarHBondContact CD1-O 3.39Å; F215-T224 WeakPolarHBondContact O-CA 3.41Å; F215-F225 HydrophobicContact CB-CD1 4.33Å; F215-F225 HydrophobicContact CB-CD2 4.06Å; F215-F225 HydrophobicContact CB-CE1 3.88Å; F215-F225 HydrophobicContact CB-CE2 3.58Å; F215-F225 HydrophobicContact CB-CG 4.42Å; F215-F225 HydrophobicContact CB-CZ 3.48Å; F215-F225 VanDerWaalsContact CB-CZ 3.48Å; F215-F225 HydrophobicContact CD1-CD1 4.47Å; F215-F225 AromaticContact CD1-CE1 3.93Å; F215-F225 HydrophobicContact CD1-CE1 3.93Å; F215-F225 HydrophobicContact CD1-CZ 4.26Å; F215-F225 HydrophobicContact CG-CE1 4.25Å; F215-F225 HydrophobicContact CG-CZ 4.12Å; F215-F225 PolarHBondContact N-O 3.35Å; F215-F225 PolarHBondContact O-N 3.37Å; F215-W241 HydrophobicContact CZ-CH2 4.37Å; F215-W241 HydrophobicContact CZ-CZ3 4.22Å; F215-F253 HydrophobicContact CD1-CB 4.34Å; F215-F253 HydrophobicContact CE1-CB 4.3Å; F215-P254 HydrophobicContact CD2-CG 4.02Å; F215-P254 HydrophobicContact CE2-CG 3.83Å; F215-P254 HydrophobicContact CZ-CG 4.27Å; F215-F257 HydrophobicContact CB-CD1 4.03Å; F215-F257 HydrophobicContact CB-CE1 4.46Å; F215-F257 HydrophobicContact CD2-CD1 4.19Å; F215-F257 HydrophobicContact CD2-CE1 4.13Å; F215-F257 HydrophobicContact CG-CD1 4.48Å
216E90.9Very high86.8Confident153 Ų15374 Ų7472%0.71537%0.372SS*.  trans-124.2122.1-178.7-175.6164.5-163.300108.9A218E216-A218 PolarHBondContact O-N 2.99Å
217A88.6Confident87.8Confident34 Ų3470.4 Ų70.428%0.28136%0.362SS..  trans-58.9123.9-179.800000111.3E222 T224A217-E222 HydrophobicContact CB-CB 3.63Å; A217-T224 VanDerWaalsContact CB-OG1 3.3Å; A217-T224 WeakPolarHBondContact CB-OG1 3.21Å; A217-T224 PolarHBondContact N-OG1 2.79Å
218A78.7Confident87.8Confident96 Ų9667 Ų6779%0.79336%0.36SS*.SBendtrans-89.1-26.2167.800000111.7E216 E222E216-A218 PolarHBondContact O-N 2.99Å; A218-E222 WeakPolarHBondContact CA-OE2 3.43Å; A218-E222 PolarHBondContact N-OE2 3.22Å
219E84.9Confident87.9Confident118 Ų11862.7 Ų62.755%0.55134%0.341SS*.SBendtrans-120.2151.4178.1-61.4-173.117600112.7N221 E222E219-N221 PolarHBondContact O-N 3.18Å; E219-N221 PolarHBondContact OE2-ND2 3.15Å; E219-N221 VanDerWaalsContact OE2-ND2 3.08Å; E219-E222 HydrophobicContact CB-CG 4.23Å; E219-E222 PolarHBondContact N-OE2 3.4Å; E219-E222 PolarHBondContact O-N 2.65Å
220D81.2Confident87.9Confident180 Ų18067.1 Ų67.196%0.96337%0.365SS*.THydrogen-bonded Turntrans-60.6-13.2-177.6-67-42000114.3
221N87.1Confident88Confident83 Ų8365.6 Ų65.644%0.44436%0.359SS..THydrogen-bonded Turntrans-94-2177.337.3-97.1000114.5E219 G251 L252E219-N221 PolarHBondContact O-N 3.18Å; E219-N221 PolarHBondContact OE2-ND2 3.15Å; E219-N221 VanDerWaalsContact OE2-ND2 3.08Å; N221-G251 CarbonylContact O-C 3.48Å; N221-G251 WeakPolarHBondContact O-CA 3.18Å; N221-L252 PolarHBondContact O-N 2.85Å
222E91.3Very high88Confident35 Ų3568 Ų6816%0.16437%0.371CS..BIsolated β-bridgetrans-100157.5-175.6-63.8177.6140.500113.1F215 A217 A218 E219 W241 L252F215-E222 HydrophobicContact CE1-CB 4.28Å; A217-E222 HydrophobicContact CB-CB 3.63Å; A218-E222 WeakPolarHBondContact CA-OE2 3.43Å; A218-E222 PolarHBondContact N-OE2 3.22Å; E219-E222 HydrophobicContact CB-CG 4.23Å; E219-E222 PolarHBondContact N-OE2 3.4Å; E219-E222 PolarHBondContact O-N 2.65Å; E222-W241 HydrophobicContact CG-CZ3 4.24Å; E222-W241 WeakPolarHBondContact OE1-CH2 3.35Å; E222-W241 WeakPolarHBondContact OE1-CZ3 3.39Å; E222-L252 CarbonylContact C-O 3.58Å; E222-L252 VanDerWaalsContact CA-O 3.27Å; E222-L252 WeakPolarHBondContact CA-O 3.25Å
223L91.3Very high88.3Confident6 Ų665.2 Ų65.23%0.03136%0.357CS..  trans-10797.6-173.5-171.569.9000112.3F215 F225 I231 N246 G249 L252 F253F215-L223 WeakPolarHBondContact CD1-O 3.39Å; L223-F225 HydrophobicContact CG-CD1 4.45Å; L223-F225 WeakPolarHBondContact O-CD1 3.48Å; L223-F225 PolarHBondContact O-N 3.08Å; L223-I231 HydrophobicContact CD2-CG2 3.78Å; L223-N246 WeakPolarHBondContact CD1-OD1 3.47Å; L223-N246 HydrophobicContact CD2-CB 4.46Å; L223-G249 WeakPolarHBondContact CD1-O 3.29Å; L223-L252 PolarHBondContact N-O 2.97Å; L223-F253 HydrophobicContact CB-CD1 4.45Å; L223-F253 HydrophobicContact CD2-CD1 3.95Å; L223-F253 HydrophobicContact CD2-CE1 4.37Å
224T89.6Confident88.4Confident43 Ų4362.7 Ų62.726%0.26435%0.353SS..  trans-63.1130.1172.1-61.60000111.9F215 A217 N246 R248F215-T224 WeakPolarHBondContact O-CA 3.41Å; A217-T224 VanDerWaalsContact CB-OG1 3.3Å; A217-T224 WeakPolarHBondContact CB-OG1 3.21Å; A217-T224 PolarHBondContact N-OG1 2.79Å; T224-N246 PolarHBondContact O-ND2 2.99Å; T224-R248 WeakPolarHBondContact O-CD 3.34Å
225F92.4Very high88.1Confident0 Ų062.1 Ų62.10%035%0.35CS..BIsolated β-bridgetrans-149.3169173.355.6-103.2000112.5A211 Y213 F215 L223 E229 I231 F253 F257 V258A211-F225 HydrophobicContact CB-CD2 3.39Å; A211-F225 HydrophobicContact CB-CE2 3.54Å; A211-F225 HydrophobicContact CB-CG 4.38Å; Y213-F225 WeakPolarHBondContact O-CE2 3.33Å; F215-F225 HydrophobicContact CB-CD1 4.33Å; F215-F225 HydrophobicContact CB-CD2 4.06Å; F215-F225 HydrophobicContact CB-CE1 3.88Å; F215-F225 HydrophobicContact CB-CE2 3.58Å; F215-F225 HydrophobicContact CB-CG 4.42Å; F215-F225 HydrophobicContact CB-CZ 3.48Å; F215-F225 VanDerWaalsContact CB-CZ 3.48Å; F215-F225 HydrophobicContact CD1-CD1 4.47Å; F215-F225 AromaticContact CD1-CE1 3.93Å; F215-F225 HydrophobicContact CD1-CE1 3.93Å; F215-F225 HydrophobicContact CD1-CZ 4.26Å; F215-F225 HydrophobicContact CG-CE1 4.25Å; F215-F225 HydrophobicContact CG-CZ 4.12Å; F215-F225 PolarHBondContact N-O 3.35Å; F215-F225 PolarHBondContact O-N 3.37Å; L223-F225 HydrophobicContact CG-CD1 4.45Å; L223-F225 WeakPolarHBondContact O-CD1 3.48Å; L223-F225 PolarHBondContact O-N 3.08Å; F225-E229 WeakPolarHBondContact CA-OE2 3.35Å; F225-E229 HydrophobicContact CB-CB 4.4Å; F225-E229 WeakPolarHBondContact CB-OE2 3.46Å; F225-I231 HydrophobicContact CB-CD1 4.33Å; F225-I231 HydrophobicContact CD1-CD1 3.36Å; F225-I231 HydrophobicContact CD1-CG1 4.4Å; F225-I231 HydrophobicContact CD2-CD1 4.19Å; F225-I231 HydrophobicContact CE1-CD1 3.52Å; F225-I231 HydrophobicContact CE2-CD1 4.32Å; F225-I231 HydrophobicContact CG-CD1 3.72Å; F225-I231 HydrophobicContact CZ-CD1 4Å; F225-F253 HydrophobicContact CE1-CB 3.61Å; F225-F253 HydrophobicContact CE1-CD2 4.21Å; F225-F253 AromaticContact CE1-CG 3.92Å; F225-F253 HydrophobicContact CE1-CG 3.92Å; F225-F253 HydrophobicContact CZ-CB 4.29Å; F225-F253 HydrophobicContact CZ-CD2 4.45Å; F225-F257 HydrophobicContact CE2-CB 4.37Å; F225-F257 HydrophobicContact CZ-CB 4.03Å; F225-V258 HydrophobicContact CZ-CG1 4.42Å
226K89.1Confident87.9Confident99 Ų9964.1 Ų64.143%0.4336%0.361SS..  trans-111.4155.3175.9-66.8-62.3-177.9-170.60113A211 D214 G228 E229A211-K226 WeakPolarHBondContact CB-O 3.5Å; D214-K226 HydrophobicContact CB-CD 4.19Å; D214-K226 WeakPolarHBondContact OD1-CA 3.26Å; D214-K226 WeakPolarHBondContact OD1-CD 3.36Å; D214-K226 WeakPolarHBondContact OD2-CD 3.47Å; D214-K226 WeakPolarHBondContact OD2-CE 3.33Å; D214-K226 IonicContact OD2-NZ 2.67Å; D214-K226 PolarHBondContact OD2-NZ 3.05Å; K226-G228 PolarHBondContact O-N 3.29Å; K226-E229 PolarHBondContact N-OE2 2.63Å; K226-E229 WeakPolarHBondContact O-CB 3.32Å; K226-E229 PolarHBondContact O-N 2.8Å
227A88.1Confident87.5Confident50 Ų5061.8 Ų61.841%0.41336%0.362SS..THydrogen-bonded Turntrans-54.6136.6177.100000111.1D214 E229D214-A227 PolarHBondContact OD1-N 3.38Å; A227-E229 VanDerWaalsContact C-N 3.28Å; A227-E229 PolarHBondContact O-N 3.42Å
228G83.1Confident87.1Confident35 Ų3563.7 Ų63.736%0.36137%0.367SS..THydrogen-bonded Turntrans81.3-8.7-173.200000115.6R210 A211 K226R210-G228 WeakPolarHBondContact CG-O 3.35Å; A211-G228 PolarHBondContact O-N 3.46Å; K226-G228 PolarHBondContact O-N 3.29Å
229E89.5Confident87.2Confident20 Ų2063.9 Ų63.99%0.09336%0.361CS..  trans-69.1142.5177.9-166.6177.6151.900112.1R210 A211 F225 K226 A227 N246 H247R210-E229 CarbonylContact C-O 3.51Å; R210-E229 WeakPolarHBondContact CA-O 3.17Å; R210-E229 WeakPolarHBondContact CG-O 3.34Å; A211-E229 HydrophobicContact CB-CB 4.46Å; A211-E229 PolarHBondContact N-O 3.06Å; F225-E229 WeakPolarHBondContact CA-OE2 3.35Å; F225-E229 HydrophobicContact CB-CB 4.4Å; F225-E229 WeakPolarHBondContact CB-OE2 3.46Å; K226-E229 PolarHBondContact N-OE2 2.63Å; K226-E229 WeakPolarHBondContact O-CB 3.32Å; K226-E229 PolarHBondContact O-N 2.8Å; A227-E229 VanDerWaalsContact C-N 3.28Å; A227-E229 PolarHBondContact O-N 3.42Å; E229-N246 WeakPolarHBondContact OE1-CB 3.36Å; E229-N246 PolarHBondContact OE1-ND2 3.17Å; E229-H247 IonicContact OE1-CE1 2.43Å; E229-H247 PolarHBondContact OE1-CE1 2.93Å; E229-H247 IonicContact OE1-ND1 2.95Å; E229-H247 PolarHBondContact OE1-ND1 3.49Å; E229-H247 IonicContact OE1-NE2 2.59Å; E229-H247 PolarHBondContact OE1-NE2 3.43Å; E229-H247 IonicContact OE2-CE1 3.98Å; E229-H247 IonicContact OE2-NE2 2.58Å; E229-H247 PolarHBondContact OE2-NE2 3.13Å
230L88.3Confident87.1Confident94 Ų9462.8 Ų62.849%0.49236%0.359SS..EExtended strand (participates in β ladder)trans-91.6129177.3-69.5173.7000111.3V209 R210 L262V209-L230 WeakPolarHBondContact O-CA 3.46Å; R210-L230 HydrophobicContact CB-CD2 3.85Å; R210-L230 HydrophobicContact CG-CD2 3.88Å; L230-L262 HydrophobicContact CD2-CD2 3.86Å
231I91.7Very high87.6Confident1 Ų159.2 Ų59.21%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-118.5136.5179.6-54.6167.4000108.2K208 V209 L223 F225 F253 V258K208-I231 WeakPolarHBondContact CA-O 3.43Å; V209-I231 HydrophobicContact CG2-CB 4.03Å; V209-I231 PolarHBondContact N-O 3.22Å; V209-I231 PolarHBondContact O-N 3.04Å; L223-I231 HydrophobicContact CD2-CG2 3.78Å; F225-I231 HydrophobicContact CB-CD1 4.33Å; F225-I231 HydrophobicContact CD1-CD1 3.36Å; F225-I231 HydrophobicContact CD1-CG1 4.4Å; F225-I231 HydrophobicContact CD2-CD1 4.19Å; F225-I231 HydrophobicContact CE1-CD1 3.52Å; F225-I231 HydrophobicContact CE2-CD1 4.32Å; F225-I231 HydrophobicContact CG-CD1 3.72Å; F225-I231 HydrophobicContact CZ-CD1 4Å; I231-F253 HydrophobicContact CG2-CE1 3.78Å; I231-F253 HydrophobicContact CG2-CZ 4.1Å; I231-V258 HydrophobicContact CD1-CG1 3.94Å
232I91.3Very high87.8Confident54 Ų5457.4 Ų57.428%0.27732%0.319SS..EExtended strand (participates in β ladder)trans-88.5122.1170.4-66.8166.2000107.6I206 K208 L234 G244 E245I206-I232 HydrophobicContact CG2-CG1 4.32Å; I206-I232 HydrophobicContact CG2-CG2 3.56Å; K208-I232 HydrophobicContact CG-CG1 4.23Å; I232-L234 HydrophobicContact CG2-CD2 4.19Å; I232-G244 CarbonylContact O-C 3.58Å; I232-G244 WeakPolarHBondContact O-CA 3.48Å; I232-E245 HydrophobicContact CB-CB 4.41Å; I232-E245 PolarHBondContact N-O 2.95Å; I232-E245 PolarHBondContact O-N 3.26Å
233V91.5Very high87.7Confident16 Ų1660.1 Ų60.110%0.09733%0.33CS..EExtended strand (participates in β ladder)trans-77.7129174.8-174.30000108.9R207 V209 D236 W242R207-V233 HydrophobicContact CB-CB 4.39Å; R207-V233 PolarHBondContact O-N 3.48Å; V209-V233 HydrophobicContact CB-CG2 4.31Å; V209-V233 HydrophobicContact CG1-CG2 3.7Å; V209-V233 HydrophobicContact CG2-CG2 3.66Å; V233-D236 HydrophobicContact CG1-CB 4.18Å; V233-W242 HydrophobicContact CG2-CE3 4.35Å
234L87.4Confident87.8Confident88 Ų8859.8 Ų59.846%0.46133%0.328SS..EExtended strand (participates in β ladder)trans-108.1-26.2177.4-63.8-179.8000112.5I232 K243 E245 V250I232-L234 HydrophobicContact CG2-CD2 4.19Å; L234-K243 PolarHBondContact N-O 3.12Å; L234-E245 HydrophobicContact CD1-CB 4.11Å; L234-E245 HydrophobicContact CG-CB 4.46Å; L234-V250 HydrophobicContact CD1-CG1 3.8Å; L234-V250 HydrophobicContact CD1-CG2 3.97Å
235D84.4Confident87.9Confident71 Ų7162 Ų6238%0.3834%0.336SS..EExtended strand (participates in β ladder)trans-154.5124177-162.3-17000109.8S237 W242 K243D235-S237 WeakPolarHBondContact OD1-CB 3.4Å; D235-S237 PolarHBondContact OD1-N 3.32Å; D235-S237 PolarHBondContact OD1-OG 3.49Å; D235-W242 WeakPolarHBondContact O-CA 3.41Å; D235-K243 HydrophobicContact CB-CB 3.75Å; D235-K243 HydrophobicContact CB-CD 4.48Å; D235-K243 PolarHBondContact N-O 3.33Å; D235-K243 PolarHBondContact O-N 3.21Å
236D86Confident87.8Confident70 Ų7062.8 Ų62.837%0.37434%0.34SS..  trans-114.717.9174.564.2-43.6000113.1R207 V233 D238 W242R207-D236 IonicContact CZ-OD2 2.8Å; R207-D236 IonicContact NH1-OD2 3.59Å; R207-D236 PolarHBondContact NH1-OD2 3.06Å; R207-D236 IonicContact NH2-OD1 3.21Å; R207-D236 IonicContact NH2-OD2 2.76Å; R207-D236 PolarHBondContact NH2-OD2 2.68Å; V233-D236 HydrophobicContact CG1-CB 4.18Å; D236-D238 VanDerWaalsContact C-N 3.25Å; D236-D238 PolarHBondContact O-N 2.93Å; D236-W242 HydrophobicContact CB-CD2 4.21Å; D236-W242 HydrophobicContact CB-CG 4.26Å; D236-W242 HydrophobicContact CB-CZ2 4.43Å
237S81.3Confident87.5Confident104 Ų10464.8 Ų64.873%0.72735%0.351SS*.  trans-64.4-21.6-175.9-57.80000115.1D235D235-S237 WeakPolarHBondContact OD1-CB 3.4Å; D235-S237 PolarHBondContact OD1-N 3.32Å; D235-S237 PolarHBondContact OD1-OG 3.49Å
238D80.3Confident87.2Confident74 Ų7470 Ų7040%0.39636%0.36SS..SBendtrans-102.4130.8174.2-175.5-75.8000110.1D236 N240 W241 W242D236-D238 VanDerWaalsContact C-N 3.25Å; D236-D238 PolarHBondContact O-N 2.93Å; D238-N240 PolarHBondContact O-N 2.92Å; D238-N240 WeakPolarHBondContact OD1-CA 3.41Å; D238-N240 PolarHBondContact OD1-N 3.27Å; D238-W241 PolarHBondContact OD1-N 2.88Å; D238-W242 PolarHBondContact O-NE1 3.24Å; D238-W242 VanDerWaalsContact O-NE1 3.17Å
239P80.9Confident87.4Confident100 Ų10069.9 Ų69.965%0.64936%0.358SS*.SBendtrans-63.7-24.9-177.8-23.934.4000114.8S255P239-S255 PolarHBondContact O-OG 3.46Å
240N83.4Confident87.5Confident96 Ų9672.5 Ų72.551%0.51338%0.375SS..SBendtrans-106.2-33.4-171.9-71.1113.5000113.1D238 P254 S255D238-N240 PolarHBondContact O-N 2.92Å; D238-N240 WeakPolarHBondContact OD1-CA 3.41Å; D238-N240 PolarHBondContact OD1-N 3.27Å; N240-P254 CarbonylContact O-C 3.53Å; N240-P254 VanDerWaalsContact O-CA 3.29Å; N240-P254 WeakPolarHBondContact O-CA 3.48Å; N240-S255 PolarHBondContact O-N 3.02Å; N240-S255 PolarHBondContact O-OG 2.82Å
241W90.8Very high87.6Confident104 Ų10468.3 Ų68.339%0.39435%0.354SS..EExtended strand (participates in β ladder)trans-126.1104.9-175.2-72.891.1000112.4F215 E222 D238 L252 F253F215-W241 HydrophobicContact CZ-CH2 4.37Å; F215-W241 HydrophobicContact CZ-CZ3 4.22Å; E222-W241 HydrophobicContact CG-CZ3 4.24Å; E222-W241 WeakPolarHBondContact OE1-CH2 3.35Å; E222-W241 WeakPolarHBondContact OE1-CZ3 3.39Å; D238-W241 PolarHBondContact OD1-N 2.88Å; W241-L252 HydrophobicContact CE3-CB 4.02Å; W241-F253 CarbonylContact C-O 3.57Å; W241-F253 WeakPolarHBondContact CA-O 3.09Å
242W92.7Very high87.6Confident46 Ų4671.1 Ų71.117%0.17437%0.369CS..EExtended strand (participates in β ladder)trans-91148.9176.7-68.2-6.9000111.3V209 V233 D235 D236 D238 L252 F253 V258V209-W242 HydrophobicContact CG1-CZ3 4.29Å; V233-W242 HydrophobicContact CG2-CE3 4.35Å; D235-W242 WeakPolarHBondContact O-CA 3.41Å; D236-W242 HydrophobicContact CB-CD2 4.21Å; D236-W242 HydrophobicContact CB-CG 4.26Å; D236-W242 HydrophobicContact CB-CZ2 4.43Å; D238-W242 PolarHBondContact O-NE1 3.24Å; D238-W242 VanDerWaalsContact O-NE1 3.17Å; W242-L252 CarbonylContact O-C 3.56Å; W242-L252 WeakPolarHBondContact O-CA 3.34Å; W242-F253 HydrophobicContact CB-CE1 4.11Å; W242-F253 HydrophobicContact CB-CE2 3.94Å; W242-F253 HydrophobicContact CB-CZ 3.69Å; W242-F253 HydrophobicContact CE3-CE2 4.25Å; W242-F253 HydrophobicContact CE3-CZ 4.37Å; W242-F253 PolarHBondContact N-O 3.43Å; W242-F253 VanDerWaalsContact O-CD1 3.31Å; W242-F253 WeakPolarHBondContact O-CD1 3.45Å; W242-F253 PolarHBondContact O-N 2.96Å; W242-V258 HydrophobicContact CE3-CG2 4Å; W242-V258 HydrophobicContact CZ3-CG2 3.86Å
243K89.8Confident87.6Confident91 Ų9168.6 Ų68.640%0.39636%0.356SS..EExtended strand (participates in β ladder)trans-97.6136.5171.4-165.7178.6179.3178.70109.4L234 D235 V250 G251 L252L234-K243 PolarHBondContact N-O 3.12Å; D235-K243 HydrophobicContact CB-CB 3.75Å; D235-K243 HydrophobicContact CB-CD 4.48Å; D235-K243 PolarHBondContact N-O 3.33Å; D235-K243 PolarHBondContact O-N 3.21Å; K243-V250 HydrophobicContact CG-CG1 4.23Å; K243-G251 WeakPolarHBondContact CA-O 3.41Å; K243-L252 HydrophobicContact CB-CD2 3.85Å; K243-L252 HydrophobicContact CG-CD2 4.13Å
244G92.4Very high87.5Confident0 Ų068.7 Ų68.70%036%0.357CS..EExtended strand (participates in β ladder)trans-155.9178.5176.200000114.6I232 V250 G251I232-G244 CarbonylContact O-C 3.58Å; I232-G244 WeakPolarHBondContact O-CA 3.48Å; G244-V250 VanDerWaalsContact O-CA 3.28Å; G244-V250 WeakPolarHBondContact O-CA 3.46Å; G244-G251 PolarHBondContact N-O 2.83Å; G244-G251 PolarHBondContact O-N 3.3Å
245E92.1Very high87.5Confident90 Ų9065.2 Ų65.242%0.42134%0.34SS..EExtended strand (participates in β ladder)trans-123.6133.7-177.7-169.6173.8165.600110.4I232 L234 G249 V250I232-E245 HydrophobicContact CB-CB 4.41Å; I232-E245 PolarHBondContact N-O 2.95Å; I232-E245 PolarHBondContact O-N 3.26Å; L234-E245 HydrophobicContact CD1-CB 4.11Å; L234-E245 HydrophobicContact CG-CB 4.46Å; E245-G249 WeakPolarHBondContact CA-O 3.33Å; E245-V250 HydrophobicContact CB-CG2 3.92Å; E245-V250 HydrophobicContact CG-CG2 3.76Å
246N90.3Very high87.8Confident15 Ų1567.6 Ų67.68%0.0835%0.353CS..EExtended strand (participates in β ladder)trans-131.7-171.116877.9-9.1000110.5L223 T224 E229 R248 G249L223-N246 WeakPolarHBondContact CD1-OD1 3.47Å; L223-N246 HydrophobicContact CD2-CB 4.46Å; T224-N246 PolarHBondContact O-ND2 2.99Å; E229-N246 WeakPolarHBondContact OE1-CB 3.36Å; E229-N246 PolarHBondContact OE1-ND2 3.17Å; N246-R248 PolarHBondContact O-N 3.48Å; N246-R248 WeakPolarHBondContact OD1-CA 3.42Å; N246-R248 VanDerWaalsContact OD1-CB 3.31Å; N246-R248 WeakPolarHBondContact OD1-CB 3.45Å; N246-R248 PolarHBondContact OD1-N 2.95Å; N246-G249 PolarHBondContact N-O 3.04Å; N246-G249 PolarHBondContact O-N 2.75Å; N246-G249 PolarHBondContact OD1-N 3.17Å
247H82.9Confident87.8Confident142 Ų14267.5 Ų67.566%0.65735%0.349SS*.THydrogen-bonded Turntrans-67.5-2-179.668.3-93.9000115E229E229-H247 IonicContact OE1-CE1 2.43Å; E229-H247 PolarHBondContact OE1-CE1 2.93Å; E229-H247 IonicContact OE1-ND1 2.95Å; E229-H247 PolarHBondContact OE1-ND1 3.49Å; E229-H247 IonicContact OE1-NE2 2.59Å; E229-H247 PolarHBondContact OE1-NE2 3.43Å; E229-H247 IonicContact OE2-CE1 3.98Å; E229-H247 IonicContact OE2-NE2 2.58Å; E229-H247 PolarHBondContact OE2-NE2 3.13Å
248R82.1Confident88.1Confident160 Ų16063.2 Ų63.260%0.60432%0.318SS*.THydrogen-bonded Turntrans-104.4-26.6178.3-53.5-175.7-179.8-90.4-13.3112.9T224 N246T224-R248 WeakPolarHBondContact O-CD 3.34Å; N246-R248 PolarHBondContact O-N 3.48Å; N246-R248 WeakPolarHBondContact OD1-CA 3.42Å; N246-R248 VanDerWaalsContact OD1-CB 3.31Å; N246-R248 WeakPolarHBondContact OD1-CB 3.45Å; N246-R248 PolarHBondContact OD1-N 2.95Å
249G86.9Confident88.2Confident31 Ų3161.3 Ų61.332%0.3231%0.31SS..EExtended strand (participates in β ladder)trans153-154.1-179.500000112.7L223 E245 N246L223-G249 WeakPolarHBondContact CD1-O 3.29Å; E245-G249 WeakPolarHBondContact CA-O 3.33Å; N246-G249 PolarHBondContact N-O 3.04Å; N246-G249 PolarHBondContact O-N 2.75Å; N246-G249 PolarHBondContact OD1-N 3.17Å
250V90.6Very high88.3Confident76 Ų7661.2 Ų61.246%0.46131%0.308SS..EExtended strand (participates in β ladder)trans-118.9133178.9173.70000109.4L234 K243 G244 E245L234-V250 HydrophobicContact CD1-CG1 3.8Å; L234-V250 HydrophobicContact CD1-CG2 3.97Å; K243-V250 HydrophobicContact CG-CG1 4.23Å; G244-V250 VanDerWaalsContact O-CA 3.28Å; G244-V250 WeakPolarHBondContact O-CA 3.46Å; E245-V250 HydrophobicContact CB-CG2 3.92Å; E245-V250 HydrophobicContact CG-CG2 3.76Å
251G91.6Very high88Confident5 Ų561.1 Ų61.15%0.05231%0.307CS..EExtended strand (participates in β ladder)trans-165.1179.9-179.600000112.9N221 K243 G244N221-G251 CarbonylContact O-C 3.48Å; N221-G251 WeakPolarHBondContact O-CA 3.18Å; K243-G251 WeakPolarHBondContact CA-O 3.41Å; G244-G251 PolarHBondContact N-O 2.83Å; G244-G251 PolarHBondContact O-N 3.3Å
252L90.6Very high87.2Confident61 Ų6159.5 Ų59.532%0.31931%0.306SS..EExtended strand (participates in β ladder)trans-91148.2175.8-62176.8000111.7N221 E222 L223 W241 W242 K243N221-L252 PolarHBondContact O-N 2.85Å; E222-L252 CarbonylContact C-O 3.58Å; E222-L252 VanDerWaalsContact CA-O 3.27Å; E222-L252 WeakPolarHBondContact CA-O 3.25Å; L223-L252 PolarHBondContact N-O 2.97Å; W241-L252 HydrophobicContact CE3-CB 4.02Å; W242-L252 CarbonylContact O-C 3.56Å; W242-L252 WeakPolarHBondContact O-CA 3.34Å; K243-L252 HydrophobicContact CB-CD2 3.85Å; K243-L252 HydrophobicContact CG-CD2 4.13Å
253F92.5Very high85.6Confident0 Ų064.5 Ų64.50%034%0.336CS..EExtended strand (participates in β ladder)trans-151.7154.1174.363.5-88.5000112.2V209 F215 L223 F225 I231 W241 W242 S255 V258V209-F253 HydrophobicContact CG2-CZ 4.36Å; F215-F253 HydrophobicContact CD1-CB 4.34Å; F215-F253 HydrophobicContact CE1-CB 4.3Å; L223-F253 HydrophobicContact CB-CD1 4.45Å; L223-F253 HydrophobicContact CD2-CD1 3.95Å; L223-F253 HydrophobicContact CD2-CE1 4.37Å; F225-F253 HydrophobicContact CE1-CB 3.61Å; F225-F253 HydrophobicContact CE1-CD2 4.21Å; F225-F253 AromaticContact CE1-CG 3.92Å; F225-F253 HydrophobicContact CE1-CG 3.92Å; F225-F253 HydrophobicContact CZ-CB 4.29Å; F225-F253 HydrophobicContact CZ-CD2 4.45Å; I231-F253 HydrophobicContact CG2-CE1 3.78Å; I231-F253 HydrophobicContact CG2-CZ 4.1Å; W241-F253 CarbonylContact C-O 3.57Å; W241-F253 WeakPolarHBondContact CA-O 3.09Å; W242-F253 HydrophobicContact CB-CE1 4.11Å; W242-F253 HydrophobicContact CB-CE2 3.94Å; W242-F253 HydrophobicContact CB-CZ 3.69Å; W242-F253 HydrophobicContact CE3-CE2 4.25Å; W242-F253 HydrophobicContact CE3-CZ 4.37Å; W242-F253 PolarHBondContact N-O 3.43Å; W242-F253 VanDerWaalsContact O-CD1 3.31Å; W242-F253 WeakPolarHBondContact O-CD1 3.45Å; W242-F253 PolarHBondContact O-N 2.96Å; F253-S255 PolarHBondContact O-N 3.32Å; F253-V258 HydrophobicContact CD2-CG1 3.95Å; F253-V258 HydrophobicContact CE2-CB 4.33Å; F253-V258 HydrophobicContact CE2-CG1 3.56Å; F253-V258 HydrophobicContact CE2-CG2 3.78Å; F253-V258 HydrophobicContact CZ-CG1 4.42Å
254P88.9Confident83.4Confident19 Ų1962.7 Ų62.712%0.12334%0.338CS..EExtended strand (participates in β ladder)trans-67.1127.5177.924.3-33.3000112.4F215 N240 N256 F257F215-P254 HydrophobicContact CD2-CG 4.02Å; F215-P254 HydrophobicContact CE2-CG 3.83Å; F215-P254 HydrophobicContact CZ-CG 4.27Å; N240-P254 CarbonylContact O-C 3.53Å; N240-P254 VanDerWaalsContact O-CA 3.29Å; N240-P254 WeakPolarHBondContact O-CA 3.48Å; P254-N256 PolarHBondContact O-N 3.09Å; P254-N256 VanDerWaalsContact O-N 3.17Å; P254-F257 HydrophobicContact CB-CD2 3.93Å; P254-F257 HydrophobicContact CB-CE2 4.47Å; P254-F257 HydrophobicContact CG-CB 4.1Å; P254-F257 HydrophobicContact CG-CD1 4.49Å; P254-F257 HydrophobicContact CG-CD2 3.47Å; P254-F257 VanDerWaalsContact CG-CD2 3.47Å; P254-F257 HydrophobicContact CG-CE2 3.98Å; P254-F257 HydrophobicContact CG-CG 3.77Å; P254-F257 WeakPolarHBondContact O-CB 3.38Å; P254-F257 PolarHBondContact O-N 3.27Å
255S88.1Confident81.1Confident14 Ų1469.9 Ų69.910%0.09838%0.376CS..G310 helixtrans-56.4-33.2-179.156.50000113.4P239 N240 F253 F257 V258P239-S255 PolarHBondContact O-OG 3.46Å; N240-S255 PolarHBondContact O-N 3.02Å; N240-S255 PolarHBondContact O-OG 2.82Å; F253-S255 PolarHBondContact O-N 3.32Å; S255-F257 PolarHBondContact O-N 3.46Å; S255-V258 VanDerWaalsContact O-CG2 3.3Å; S255-V258 WeakPolarHBondContact O-CG2 3.18Å; S255-V258 PolarHBondContact O-N 2.93Å
256N88.8Confident78.7Confident122 Ų12270.1 Ų70.165%0.65239%0.385SS*.G310 helixtrans-67.5-11.3177.1-66.7-36.6000114.8P254P254-N256 PolarHBondContact O-N 3.09Å; P254-N256 VanDerWaalsContact O-N 3.17Å
257F86.9Confident76.2Confident67 Ų6778.4 Ų78.429%0.29442%0.424SS..G310 helixtrans-91.12.2-179.9-83.3-122.8000113.1A211 L212 Y213 F215 F225 P254 S255A211-F257 WeakPolarHBondContact CA-O 3.45Å; L212-F257 PolarHBondContact N-O 3.21Å; Y213-F257 HydrophobicContact CD2-CD1 4.22Å; Y213-F257 HydrophobicContact CD2-CE1 4.49Å; Y213-F257 HydrophobicContact CD2-CG 4.33Å; F215-F257 HydrophobicContact CB-CD1 4.03Å; F215-F257 HydrophobicContact CB-CE1 4.46Å; F215-F257 HydrophobicContact CD2-CD1 4.19Å; F215-F257 HydrophobicContact CD2-CE1 4.13Å; F215-F257 HydrophobicContact CG-CD1 4.48Å; F225-F257 HydrophobicContact CE2-CB 4.37Å; F225-F257 HydrophobicContact CZ-CB 4.03Å; P254-F257 HydrophobicContact CB-CD2 3.93Å; P254-F257 HydrophobicContact CB-CE2 4.47Å; P254-F257 HydrophobicContact CG-CB 4.1Å; P254-F257 HydrophobicContact CG-CD1 4.49Å; P254-F257 HydrophobicContact CG-CD2 3.47Å; P254-F257 VanDerWaalsContact CG-CD2 3.47Å; P254-F257 HydrophobicContact CG-CE2 3.98Å; P254-F257 HydrophobicContact CG-CG 3.77Å; P254-F257 WeakPolarHBondContact O-CB 3.38Å; P254-F257 PolarHBondContact O-N 3.27Å; S255-F257 PolarHBondContact O-N 3.46Å
258V87.9Confident74.3Confident14 Ų1477.3 Ų77.39%0.08543%0.429CS..EExtended strand (participates in β ladder)trans-130.8160.6-178.1-59.80000112.8V209 R210 F225 I231 W242 F253 S255V209-V258 HydrophobicContact CB-CB 3.98Å; V209-V258 HydrophobicContact CB-CG2 4.04Å; V209-V258 HydrophobicContact CG1-CG2 4.45Å; V209-V258 HydrophobicContact CG2-CB 3.84Å; V209-V258 HydrophobicContact CG2-CG1 3.98Å; V209-V258 HydrophobicContact CG2-CG2 3.87Å; R210-V258 CarbonylContact O-C 3.57Å; R210-V258 VanDerWaalsContact O-CA 3.24Å; R210-V258 WeakPolarHBondContact O-CA 3.28Å; F225-V258 HydrophobicContact CZ-CG1 4.42Å; I231-V258 HydrophobicContact CD1-CG1 3.94Å; W242-V258 HydrophobicContact CE3-CG2 4Å; W242-V258 HydrophobicContact CZ3-CG2 3.86Å; F253-V258 HydrophobicContact CD2-CG1 3.95Å; F253-V258 HydrophobicContact CE2-CB 4.33Å; F253-V258 HydrophobicContact CE2-CG1 3.56Å; F253-V258 HydrophobicContact CE2-CG2 3.78Å; F253-V258 HydrophobicContact CZ-CG1 4.42Å; S255-V258 VanDerWaalsContact O-CG2 3.3Å; S255-V258 WeakPolarHBondContact O-CG2 3.18Å; S255-V258 PolarHBondContact O-N 2.93Å
259T82.8Confident72.1Confident35 Ų3575.6 Ų75.622%0.21544%0.436CS..EExtended strand (participates in β ladder)trans-128.5149.3170.4-176.50000111.5V209 R210 L212 N261V209-T259 CarbonylContact C-O 3.41Å; V209-T259 VanDerWaalsContact CA-O 3.29Å; V209-T259 WeakPolarHBondContact CA-O 3.36Å; V209-T259 WeakPolarHBondContact CB-O 3.18Å; R210-T259 HydrophobicContact CB-CG2 4.41Å; R210-T259 PolarHBondContact N-O 2.96Å; R210-T259 PolarHBondContact O-N 2.92Å; L212-T259 HydrophobicContact CD2-CG2 3.6Å; L212-T259 HydrophobicContact CG-CG2 4.15Å; T259-N261 VanDerWaalsContact C-N 3.26Å; T259-N261 HydrophobicContact CG2-CB 4.47Å; T259-N261 WeakPolarHBondContact CG2-O 3.39Å; T259-N261 PolarHBondContact OG1-N 3.44Å
260T83.1Confident69.6Low98 Ų9878.8 Ų78.860%0.60146%0.46SS*.SBendtrans-76.1-13.8167.2490000112.5V209 L262V209-T260 HydrophobicContact CG1-CG2 4.13Å; T260-L262 PolarHBondContact O-N 3.33Å
261N77.3Confident67.1Low94 Ų9484.9 Ų84.950%0.50348%0.476SS..  trans-81.397.2177.7-168.9-21.6000111T259 N263T259-N261 VanDerWaalsContact C-N 3.26Å; T259-N261 HydrophobicContact CG2-CB 4.47Å; T259-N261 WeakPolarHBondContact CG2-O 3.39Å; T259-N261 PolarHBondContact OG1-N 3.44Å; N261-N263 PolarHBondContact O-N 2.94Å; N261-N263 PolarHBondContact OD1-N 3.25Å
262L72.9Confident64.4Low70 Ų7090.9 Ų90.937%0.36651%0.511SS..THydrogen-bonded Turntrans-76.2-3.9-174.3-52-175.2000114.4K208 R210 L230 T260K208-L262 HydrophobicContact CB-CD1 4.19Å; R210-L262 HydrophobicContact CB-CD2 4.1Å; R210-L262 VanDerWaalsContact NH1-C 3.29Å; R210-L262 PolarHBondContact NH1-O 3.4Å; L230-L262 HydrophobicContact CD2-CD2 3.86Å; T260-L262 PolarHBondContact O-N 3.33Å
263N58.7Low61.6Low150 Ų15095.2 Ų95.280%0.80253%0.53SS*.THydrogen-bonded Turntrans-106.2-11.6-160.5-90.54000117.7N261N261-N263 PolarHBondContact O-N 2.94Å; N261-N263 PolarHBondContact OD1-N 3.25Å
264A44.8Very low58.8Low53 Ų53103.5 Ų103.544%0.43857%0.566SS.*  trans-78.3137.3-17800000112.5R210R210-A264 PolarHBondContact NH1-O 2.9Å; R210-A264 PolarHBondContact NH2-O 3.33Å
265D42.8Very low56.1Low152 Ų152108 Ų10881%0.81360%0.598SS**  trans-67.1152.1166-123.2-17.2000109.7E267D265-E267 PolarHBondContact O-N 2.96Å
266P41.8Very low53.5Low94 Ų94112 Ų11261%0.6163%0.632SS**  trans-85.1107-177.632.1-29.8000111.4P268P266-P268 WeakPolarHBondContact O-CD 3.26Å
267E38.6Very low50.7Low189 Ų189112.5 Ų112.588%0.88364%0.64SS**  trans-68.5125.7169-73.2-160.9119.100111.3D265 V269D265-E267 PolarHBondContact O-N 2.96Å; E267-V269 PolarHBondContact O-N 3.05Å
268P42.9Very low49Very low120 Ų120115 Ų11578%0.77966%0.662SS**  trans-85.3108.7179.932.2-32.4000111.4P266 A270P266-P268 WeakPolarHBondContact O-CD 3.26Å; P268-A270 PolarHBondContact O-N 3.4Å
269V36.7Very low46.2Very low124 Ų124123.8 Ų123.875%0.75270%0.702SS**  trans-68.4112.3169.4-740000111E267E267-V269 PolarHBondContact O-N 3.05Å
270A33.6Very low44.1Very low98 Ų98130.7 Ų130.781%0.8173%0.732SS**  trans-111142.3175.500000111P268P268-A270 PolarHBondContact O-N 3.4Å
271Y37.3Very low41.6Very low203 Ų203131.9 Ų131.980%0.79674%0.739SS**  trans-103.8158.2-171.8-51.5-90.8000112.8
272V34.7Very low39.7Very low132 Ų132133 Ų13380%0.876%0.755SS**  trans96119.3157-172.10000119.6
273E33.5Very low37.8Very low151 Ų151136.6 Ų136.671%0.70677%0.774SS**  trans49.3109.8154.2-75.7-158.310500124.5
274K33.4Very low37Very low174 Ų174139.1 Ų139.176%0.75778%0.781SS**  64.2104.6111.4-170.4-172-174.4176.80119.9
275S31.2Very low36.5Very low113 Ų113143.9 Ų143.979%0.7980%0.797SS**  173156.2105.347.70000115.1
276A33.1Very low36.5Very low99 Ų99148.2 Ų148.282%0.81880%0.802SS**  trans70.7157.3161.600000120.1
277T31.4Very low36.3Very low133 Ų133147.2 Ų147.282%0.81680%0.802SS**  trans-130.1-179.7-172.151.80000109.2
278P49.9Very low36.4Very low118 Ų118147 Ų14777%0.76680%0.801SS**  -127.5167.1-51.336.9-23.4000111.3
279E29.9Very low36.6Very low199 Ų199146.2 Ų146.293%0.9380%0.796SS**  trans-151.2145.8158.3-14716617200111.7
280E39.9Very low37.4Very low181 Ų181148.4 Ų148.485%0.84680%0.798SS**  trans-81.4134.7179.9-67.5171.784.100111.1
281T29.7Very low38.7Very low122 Ų122149.4 Ų149.475%0.74880%0.796SS**  trans-151.2108.1156.3-67.90000109L283T281-L283 HydrophobicContact CG2-CG 4.37Å; T281-L283 PolarHBondContact O-N 3.08Å
282S37.6Very low40.5Very low119 Ų119142.5 Ų142.583%0.83278%0.775SS**  trans-68.9117.9176.8-50.20000110.8
283L32Very low42.9Very low145 Ų145142.7 Ų142.776%0.75976%0.762SS**  trans-132.5126164.9-72.1174000108.4T281 I285T281-L283 HydrophobicContact CG2-CG 4.37Å; T281-L283 PolarHBondContact O-N 3.08Å; L283-I285 VanDerWaalsContact C-N 3.34Å; L283-I285 PolarHBondContact O-N 3.01Å
284E41.8Very low45.5Very low202 Ų202138.9 Ų138.994%0.94475%0.746SS**  trans-7087.1177.9-71.4170.187.300110.6R286E284-R286 PolarHBondContact O-N 3.24Å; E284-R286 VanDerWaalsContact O-N 3.09Å
285I34.9Very low48.2Very low154 Ų154132 Ų13279%0.7972%0.718SS**  trans-72.2100.6162.1-59.7177.2000106.6L283 A287L283-I285 VanDerWaalsContact C-N 3.34Å; L283-I285 PolarHBondContact O-N 3.01Å; I285-A287 PolarHBondContact O-N 2.96Å
286R42.9Very low51Low242 Ų242133.7 Ų133.791%0.91371%0.713SS**  trans-68.883.8171.2-176.2180177.9170.90.4109E284E284-R286 PolarHBondContact O-N 3.24Å; E284-R286 VanDerWaalsContact O-N 3.09Å
287A37.5Very low53.7Low74 Ų74132.3 Ų132.361%0.61270%0.701SS**PPolyproline II helixtrans-55.7140.4177.100000110.9I285I285-A287 PolarHBondContact O-N 2.96Å
288E41.3Very low56.4Low184 Ų184128.7 Ų128.786%0.8667%0.674SS**PPolyproline II helixtrans-66127.4161.2-168.2164.4-150.700106.9E290E288-E290 PolarHBondContact O-N 3.37Å
289P46.3Very low58.3Low104 Ų104126 Ų12668%0.67565%0.653SS**PPolyproline II helixtrans-67.1126.1-167.125.3-33.7000110.8
290E54.6Low61.3Low170 Ų170121.3 Ų121.379%0.79463%0.634SS**PPolyproline II helixtrans-54.2146163.6-70.6-167.2131.800109.4E288 V292E288-E290 PolarHBondContact O-N 3.37Å; E290-V292 PolarHBondContact O-N 3.5Å
291P59Low63.6Low118 Ų118119 Ų11977%0.76662%0.617SS**  trans-65.197.1179.126.8-34.2000110Y293P291-Y293 PolarHBondContact O-N 2.97Å
292V75.9Confident66.5Low58 Ų58113.7 Ų113.735%0.35259%0.585SS.*  trans-57.7132178.7-175.60000109E290 Q330 M331 L334E290-V292 PolarHBondContact O-N 3.5Å; V292-Q330 HydrophobicContact CG1-CB 4.04Å; V292-Q330 HydrophobicContact CG2-CB 4.16Å; V292-M331 HydrophobicContact CG1-CG 3.85Å; V292-L334 HydrophobicContact CB-CD1 4.11Å; V292-L334 HydrophobicContact CG1-CD1 3.96Å; V292-L334 WeakPolarHBondContact O-CD1 3.43Å
293Y85.1Confident69Low137 Ų137112.2 Ų112.254%0.53757%0.567SS.*  trans-128.8149.6178.166.6-87.7000108.8P291 D295 K298 M331P291-Y293 PolarHBondContact O-N 2.97Å; Y293-D295 HydrophobicContact CD2-CB 4.13Å; Y293-D295 HydrophobicContact CE2-CB 3.6Å; Y293-D295 VanDerWaalsContact CE2-OD2 3.23Å; Y293-D295 WeakPolarHBondContact CE2-OD2 3.43Å; Y293-D295 PolarHBondContact O-N 3.39Å; Y293-D295 PolarHBondContact OH-OD2 3.35Å; Y293-K298 PolarHBondContact OH-NZ 3.07Å; Y293-M331 VanDerWaalsContact O-SD 3.32Å
294I87.9Confident71.7Confident70 Ų70107.5 Ų107.536%0.35955%0.549SS..  trans-69.6119.2179.1-54.9172.3000108.5M299 L334 I335 K338I294-M299 HydrophobicContact CG2-CE 3.98Å; I294-L334 HydrophobicContact CD1-CB 4.07Å; I294-L334 HydrophobicContact CG1-CB 3.9Å; I294-I335 HydrophobicContact CD1-CG1 3.85Å; I294-I335 HydrophobicContact CG1-CG1 4.02Å; I294-I335 HydrophobicContact CG2-CD1 4.43Å; I294-I335 HydrophobicContact CG2-CG1 4.06Å; I294-K338 HydrophobicContact CD1-CG 3.94Å
295D89.9Confident73.8Confident30 Ų30100 Ų10016%0.1652%0.515CS..  trans-124.298.7-174.4-165.9-35.9000110.2Y293 A297 K298 M299 M331Y293-D295 HydrophobicContact CD2-CB 4.13Å; Y293-D295 HydrophobicContact CE2-CB 3.6Å; Y293-D295 VanDerWaalsContact CE2-OD2 3.23Å; Y293-D295 WeakPolarHBondContact CE2-OD2 3.43Å; Y293-D295 PolarHBondContact O-N 3.39Å; Y293-D295 PolarHBondContact OH-OD2 3.35Å; D295-A297 VanDerWaalsContact C-N 3.25Å; D295-A297 PolarHBondContact O-N 3.01Å; D295-A297 PolarHBondContact OD1-N 3.45Å; D295-A297 VanDerWaalsContact OD1-N 3.15Å; D295-K298 HydrophobicContact CB-CB 4.14Å; D295-K298 HydrophobicContact CB-CD 4.06Å; D295-K298 HydrophobicContact CB-CG 3.91Å; D295-K298 PolarHBondContact O-N 3.27Å; D295-K298 VanDerWaalsContact O-N 3.14Å; D295-K298 PolarHBondContact OD1-N 2.87Å; D295-K298 IonicContact OD2-NZ 2.82Å; D295-K298 PolarHBondContact OD2-NZ 2.89Å; D295-M299 PolarHBondContact O-N 3.2Å; D295-M331 HydrophobicContact CB-SD 3.96Å; D295-M331 PolarHBondContact N-SD 2.89Å
296E90.5Very high76.2Confident148 Ų14897.1 Ų97.169%0.69250%0.501SS*.Hα-helixtrans-56.2-39179.5-170.2173.4-150.300111.9K298 M299 D300E296-K298 VanDerWaalsContact C-N 3.32Å; E296-K298 PolarHBondContact O-N 2.84Å; E296-M299 PolarHBondContact O-N 3.31Å; E296-D300 PolarHBondContact O-N 3.49Å
297A89.2Confident78.2Confident70 Ų7092.3 Ų92.358%0.57949%0.489SS*.Hα-helixtrans-71.3-25.4-179.300000113.2D295 R301D295-A297 VanDerWaalsContact C-N 3.25Å; D295-A297 PolarHBondContact O-N 3.01Å; D295-A297 PolarHBondContact OD1-N 3.45Å; D295-A297 VanDerWaalsContact OD1-N 3.15Å; A297-R301 VanDerWaalsContact O-CB 3.31Å; A297-R301 WeakPolarHBondContact O-CB 3.48Å; A297-R301 PolarHBondContact O-N 2.9Å
298K88.9Confident80.3Confident57 Ų5795.5 Ų95.525%0.24850%0.496CS..Hα-helixtrans-69.7-49.1167.5-68.2-171.4-170.285.60110.5Y293 D295 E296 D300 R301 T302 L324 A327 M331Y293-K298 PolarHBondContact OH-NZ 3.07Å; D295-K298 HydrophobicContact CB-CB 4.14Å; D295-K298 HydrophobicContact CB-CD 4.06Å; D295-K298 HydrophobicContact CB-CG 3.91Å; D295-K298 PolarHBondContact O-N 3.27Å; D295-K298 VanDerWaalsContact O-N 3.14Å; D295-K298 PolarHBondContact OD1-N 2.87Å; D295-K298 IonicContact OD2-NZ 2.82Å; D295-K298 PolarHBondContact OD2-NZ 2.89Å; E296-K298 VanDerWaalsContact C-N 3.32Å; E296-K298 PolarHBondContact O-N 2.84Å; K298-D300 PolarHBondContact O-N 3.38Å; K298-R301 WeakPolarHBondContact O-CB 3.41Å; K298-R301 PolarHBondContact O-N 3.47Å; K298-R301 VanDerWaalsContact O-N 3.1Å; K298-T302 PolarHBondContact O-N 2.67Å; K298-T302 PolarHBondContact O-OG1 2.88Å; K298-L324 HydrophobicContact CB-CD2 4.28Å; K298-L324 HydrophobicContact CG-CD2 4.29Å; K298-A327 HydrophobicContact CD-CB 4.18Å; K298-M331 HydrophobicContact CB-CE 4.21Å
299M89.8Confident82.2Confident63 Ų6389.9 Ų89.931%0.3147%0.474SS..Hα-helixtrans-60.3-44.9-178.9-63.6-172.5-69.600112.3I294 D295 E296 R301 T302 L303 M331 I335I294-M299 HydrophobicContact CG2-CE 3.98Å; D295-M299 PolarHBondContact O-N 3.2Å; E296-M299 PolarHBondContact O-N 3.31Å; M299-R301 VanDerWaalsContact C-N 3.3Å; M299-R301 PolarHBondContact O-N 3.16Å; M299-T302 PolarHBondContact O-N 2.88Å; M299-L303 WeakPolarHBondContact O-CB 3.32Å; M299-L303 PolarHBondContact O-N 3.38Å; M299-M331 HydrophobicContact CG-CE 3.63Å; M299-M331 HydrophobicContact SD-CE 4.34Å; M299-I335 HydrophobicContact SD-CD1 3.84Å
300D91.9Very high83.8Confident99 Ų9989.8 Ų89.853%0.52947%0.468SS..Hα-helixtrans-59.7-39173.9-85-16.6000112.2E296 K298 L303 A304E296-D300 PolarHBondContact O-N 3.49Å; K298-D300 PolarHBondContact O-N 3.38Å; D300-L303 PolarHBondContact O-N 2.96Å; D300-A304 VanDerWaalsContact O-CB 3.25Å; D300-A304 WeakPolarHBondContact O-CB 3.44Å; D300-A304 PolarHBondContact O-N 3.15Å
301R89.1Confident84.7Confident133 Ų13388 Ų8850%0.50247%0.471SS..Hα-helixtrans-70.3-41.8178.5-170.8176.5179.9154.9-2.2111.8A297 K298 M299 L303 A304 L305 E320 L324A297-R301 VanDerWaalsContact O-CB 3.31Å; A297-R301 WeakPolarHBondContact O-CB 3.48Å; A297-R301 PolarHBondContact O-N 2.9Å; K298-R301 WeakPolarHBondContact O-CB 3.41Å; K298-R301 PolarHBondContact O-N 3.47Å; K298-R301 VanDerWaalsContact O-N 3.1Å; M299-R301 VanDerWaalsContact C-N 3.3Å; M299-R301 PolarHBondContact O-N 3.16Å; R301-L303 VanDerWaalsContact C-N 3.34Å; R301-A304 PolarHBondContact O-N 3.31Å; R301-L305 HydrophobicContact CG-CD1 4.44Å; R301-L305 WeakPolarHBondContact O-CG 3.32Å; R301-L305 PolarHBondContact O-N 2.97Å; R301-E320 IonicContact CZ-OE1 3.15Å; R301-E320 IonicContact NE-OE1 3.91Å; R301-E320 PolarHBondContact NE-OE1 3.22Å; R301-E320 IonicContact NH2-OE1 3.86Å; R301-E320 PolarHBondContact NH2-OE1 3.2Å; R301-E320 IonicContact NH2-OE2 2.67Å; R301-E320 PolarHBondContact NH2-OE2 2.65Å; R301-E320 VanDerWaalsContact NH2-OE2 3.08Å; R301-L324 HydrophobicContact CB-CD1 4.27Å; R301-L324 HydrophobicContact CG-CD1 3.73Å
302T90.6Very high85.6Confident10 Ų1086.6 Ų86.66%0.06147%0.469CS..Hα-helixtrans-59.2-47172.3-43.90000110.4K298 M299 A304 L305 L306 L321 L324 C328K298-T302 PolarHBondContact O-N 2.67Å; K298-T302 PolarHBondContact O-OG1 2.88Å; M299-T302 PolarHBondContact O-N 2.88Å; T302-A304 PolarHBondContact O-N 3.11Å; T302-L305 PolarHBondContact O-N 3.32Å; T302-L306 HydrophobicContact CG2-CD1 4.08Å; T302-L306 WeakPolarHBondContact O-CB 3.44Å; T302-L306 VanDerWaalsContact O-CG 3.3Å; T302-L306 WeakPolarHBondContact O-CG 3.24Å; T302-L306 PolarHBondContact O-N 2.82Å; T302-L321 HydrophobicContact CG2-CD1 4.08Å; T302-L324 HydrophobicContact CG2-CB 4.46Å; T302-L324 WeakPolarHBondContact OG1-CB 3.41Å; T302-C328 PolarHBondContact OG1-SG 3.4Å; T302-C328 VanDerWaalsContact OG1-SG 3.39Å
303L89.9Confident85.6Confident88 Ų8888.7 Ų88.746%0.46148%0.478SS..Hα-helixtrans-62.6-42.7178.2-176.560.3000112.1M299 D300 R301 L306 Q307M299-L303 WeakPolarHBondContact O-CB 3.32Å; M299-L303 PolarHBondContact O-N 3.38Å; D300-L303 PolarHBondContact O-N 2.96Å; R301-L303 VanDerWaalsContact C-N 3.34Å; L303-L306 PolarHBondContact O-N 3.5Å; L303-Q307 HydrophobicContact CD1-CG 4.35Å; L303-Q307 WeakPolarHBondContact O-CB 3.37Å; L303-Q307 VanDerWaalsContact O-CG 3.25Å; L303-Q307 WeakPolarHBondContact O-CG 3.3Å; L303-Q307 PolarHBondContact O-N 2.98Å
304A88.8Confident85.1Confident46 Ų4686.9 Ų86.938%0.3849%0.492SS..Hα-helixtrans-66.3-35.8177.100000112.7D300 R301 T302 N308D300-A304 VanDerWaalsContact O-CB 3.25Å; D300-A304 WeakPolarHBondContact O-CB 3.44Å; D300-A304 PolarHBondContact O-N 3.15Å; R301-A304 PolarHBondContact O-N 3.31Å; T302-A304 PolarHBondContact O-N 3.11Å; A304-N308 PolarHBondContact O-ND2 2.74Å
305L85.4Confident84.6Confident46 Ų4688 Ų8824%0.24150%0.502CS..Hα-helixtrans-65.5-53.9171.9-74.4165.3000110.5R301 T302 Q307 N308 T309 E320 L321 L324R301-L305 HydrophobicContact CG-CD1 4.44Å; R301-L305 WeakPolarHBondContact O-CG 3.32Å; R301-L305 PolarHBondContact O-N 2.97Å; T302-L305 PolarHBondContact O-N 3.32Å; L305-Q307 VanDerWaalsContact C-N 3.27Å; L305-Q307 PolarHBondContact O-N 3.31Å; L305-N308 PolarHBondContact O-N 2.95Å; L305-T309 PolarHBondContact O-N 3.34Å; L305-T309 VanDerWaalsContact O-N 3.14Å; L305-T309 PolarHBondContact O-OG1 3.11Å; L305-E320 HydrophobicContact CD1-CG 4.21Å; L305-L321 HydrophobicContact CB-CD1 4.03Å; L305-L321 HydrophobicContact CD1-CB 4.4Å; L305-L321 HydrophobicContact CD1-CD1 4.42Å; L305-L324 HydrophobicContact CD1-CD1 3.6Å
306L86.4Confident84Confident92 Ų9292.2 Ų92.248%0.48253%0.531SS..Hα-helixtrans-56.9-35.7179.7-71.4170000113.5T302 L303 N308 L321T302-L306 HydrophobicContact CG2-CD1 4.08Å; T302-L306 WeakPolarHBondContact O-CB 3.44Å; T302-L306 VanDerWaalsContact O-CG 3.3Å; T302-L306 WeakPolarHBondContact O-CG 3.24Å; T302-L306 PolarHBondContact O-N 2.82Å; L303-L306 PolarHBondContact O-N 3.5Å; L306-N308 VanDerWaalsContact C-N 3.26Å; L306-N308 PolarHBondContact O-N 3.13Å; L306-L321 HydrophobicContact CD2-CD1 4.03Å; L306-L321 HydrophobicContact CD2-CD2 4.16Å; L306-L321 HydrophobicContact CG-CD1 4.01Å
307Q85Confident83.5Confident142 Ų14290 Ų9066%0.66452%0.524SS*.THydrogen-bonded Turntrans-70.3-17.7176.4-77177.913.300114.3L303 L305L303-Q307 HydrophobicContact CD1-CG 4.35Å; L303-Q307 WeakPolarHBondContact O-CB 3.37Å; L303-Q307 VanDerWaalsContact O-CG 3.25Å; L303-Q307 WeakPolarHBondContact O-CG 3.3Å; L303-Q307 PolarHBondContact O-N 2.98Å; L305-Q307 VanDerWaalsContact C-N 3.27Å; L305-Q307 PolarHBondContact O-N 3.31Å
308N80.9Confident83.2Confident141 Ų14189.5 Ų89.575%0.75452%0.516SS*.THydrogen-bonded Turntrans-108.2-6.5-179.4-72.2-76.6000113.6A304 L305 L306A304-N308 PolarHBondContact O-ND2 2.74Å; L305-N308 PolarHBondContact O-N 2.95Å; L306-N308 VanDerWaalsContact C-N 3.26Å; L306-N308 PolarHBondContact O-N 3.13Å
309T81.2Confident82.8Confident66 Ų6692.9 Ų92.941%0.40554%0.536SS..SBendtrans-75.2134.2172.3-56.50000110.8L305 P311L305-T309 PolarHBondContact O-N 3.34Å; L305-T309 VanDerWaalsContact O-N 3.14Å; L305-T309 PolarHBondContact O-OG1 3.11Å; T309-P311 WeakPolarHBondContact O-CD 3.49Å
310D79Confident82.6Confident102 Ų10293.6 Ų93.655%0.54554%0.539SS..  trans-85.9116.7171.9-173-16.1000110A312 D313D310-A312 PolarHBondContact O-N 3.19Å; D310-A312 WeakPolarHBondContact OD1-CB 3.3Å; D310-A312 PolarHBondContact OD1-N 3.22Å; D310-D313 HydrophobicContact CB-CB 4.46Å; D310-D313 PolarHBondContact O-N 3.05Å; D310-D313 VanDerWaalsContact O-N 3.09Å
311P75.2Confident82.3Confident133 Ų13389.2 Ų89.286%0.86452%0.516SS*.THydrogen-bonded Turntrans-65.2-4.9178.3-20.333.8000114.9T309T309-P311 WeakPolarHBondContact O-CD 3.49Å
312A77Confident82.2Confident88 Ų8886.6 Ų86.673%0.72751%0.514SS*.THydrogen-bonded Turntrans-102.7-2.317500000114.1D310D310-A312 PolarHBondContact O-N 3.19Å; D310-A312 WeakPolarHBondContact OD1-CB 3.3Å; D310-A312 PolarHBondContact OD1-N 3.22Å
313D76.8Confident82Confident101 Ų10192.2 Ų92.254%0.5454%0.539SS..  trans-72.9150.7172.5-153.9-20.5000110.9D310 T315D310-D313 HydrophobicContact CB-CB 4.46Å; D310-D313 PolarHBondContact O-N 3.05Å; D310-D313 VanDerWaalsContact O-N 3.09Å; D313-T315 PolarHBondContact OD1-N 3.08Å; D313-T315 PolarHBondContact OD2-OG1 2.82Å
314A73.7Confident81.9Confident100 Ų10089 Ų8983%0.82652%0.523SS*.  trans-106.94177.500000112.7
315T76.6Confident81.9Confident92 Ų9291.7 Ų91.756%0.56453%0.528SS*.SBendtrans-68.4139.4167.457.80000110.8D313D313-T315 PolarHBondContact OD1-N 3.08Å; D313-T315 PolarHBondContact OD2-OG1 2.82Å
316P77.6Confident82Confident119 Ų11990.7 Ų90.777%0.77353%0.528SS*.PPolyproline II helixtrans-65.8149.8171.530.2-35.3000111.1
317D80.5Confident82.1Confident102 Ų10287.2 Ų87.255%0.54551%0.513SS..PPolyproline II helixtrans-55.6147-179.8-68-71000113.3L321 V322D317-L321 HydrophobicContact CB-CD2 4.4Å; D317-V322 HydrophobicContact CB-CG2 4.19Å
318S82.3Confident82.3Confident60 Ų6081.6 Ų81.642%0.4249%0.489SS..PPolyproline II helixtrans-63.5140.6177.2750000111.1E320 L321 V322S318-E320 PolarHBondContact O-N 3.29Å; S318-E320 VanDerWaalsContact O-N 3.12Å; S318-L321 WeakPolarHBondContact O-CB 3.49Å; S318-L321 PolarHBondContact O-N 3.21Å; S318-L321 WeakPolarHBondContact OG-CB 3.4Å; S318-L321 PolarHBondContact OG-N 2.86Å; S318-V322 PolarHBondContact O-N 3.39Å
319L81.8Confident82.7Confident127 Ų12781.3 Ų81.367%0.66548%0.483SS*.Hα-helixtrans-56.9-29.8177.1-173.465.5000112.4Q323L319-Q323 WeakPolarHBondContact O-CB 3.37Å; L319-Q323 VanDerWaalsContact O-CG 3.25Å; L319-Q323 WeakPolarHBondContact O-CG 3.47Å; L319-Q323 PolarHBondContact O-N 2.64Å
320E85.8Confident83.1Confident78 Ų7883.2 Ų83.236%0.36449%0.487SS..Hα-helixtrans-63.9-45173.4-177.8176.7139.600112R301 L305 S318 Q323 L324R301-E320 IonicContact CZ-OE1 3.15Å; R301-E320 IonicContact NE-OE1 3.91Å; R301-E320 PolarHBondContact NE-OE1 3.22Å; R301-E320 IonicContact NH2-OE1 3.86Å; R301-E320 PolarHBondContact NH2-OE1 3.2Å; R301-E320 IonicContact NH2-OE2 2.67Å; R301-E320 PolarHBondContact NH2-OE2 2.65Å; R301-E320 VanDerWaalsContact NH2-OE2 3.08Å; L305-E320 HydrophobicContact CD1-CG 4.21Å; S318-E320 PolarHBondContact O-N 3.29Å; S318-E320 VanDerWaalsContact O-N 3.12Å; E320-Q323 PolarHBondContact O-N 3.19Å; E320-L324 HydrophobicContact CG-CD1 3.81Å; E320-L324 HydrophobicContact CG-CG 4.49Å; E320-L324 WeakPolarHBondContact O-CB 3.43Å; E320-L324 VanDerWaalsContact O-CG 3.28Å; E320-L324 WeakPolarHBondContact O-CG 3.38Å; E320-L324 PolarHBondContact O-N 3.49Å
321L85.6Confident83.7Confident8 Ų878.5 Ų78.54%0.04246%0.462CS..Hα-helixtrans-62.9-46.1177.9177.657000111.2T302 L305 L306 D317 S318 Q323 L324 E325T302-L321 HydrophobicContact CG2-CD1 4.08Å; L305-L321 HydrophobicContact CB-CD1 4.03Å; L305-L321 HydrophobicContact CD1-CB 4.4Å; L305-L321 HydrophobicContact CD1-CD1 4.42Å; L306-L321 HydrophobicContact CD2-CD1 4.03Å; L306-L321 HydrophobicContact CD2-CD2 4.16Å; L306-L321 HydrophobicContact CG-CD1 4.01Å; D317-L321 HydrophobicContact CB-CD2 4.4Å; S318-L321 WeakPolarHBondContact O-CB 3.49Å; S318-L321 PolarHBondContact O-N 3.21Å; S318-L321 WeakPolarHBondContact OG-CB 3.4Å; S318-L321 PolarHBondContact OG-N 2.86Å; L321-Q323 VanDerWaalsContact C-N 3.34Å; L321-Q323 PolarHBondContact O-N 2.91Å; L321-L324 PolarHBondContact O-N 3.39Å; L321-E325 WeakPolarHBondContact O-CB 3.38Å; L321-E325 PolarHBondContact O-N 3.01Å
322V86.4Confident84.4Confident77 Ų7776 Ų7647%0.46744%0.442SS..Hα-helixtrans-62.7-39.6178.8-179.50000111.8D317 S318 G326D317-V322 HydrophobicContact CB-CG2 4.19Å; S318-V322 PolarHBondContact O-N 3.39Å; V322-G326 PolarHBondContact O-N 3.19Å
323Q86.8Confident85.2Confident128 Ų12875.7 Ų75.760%0.59843%0.432SS*.Hα-helixtrans-67.8-38.5175.6-74.7175.23.500112.6L319 E320 L321 A327L319-Q323 WeakPolarHBondContact O-CB 3.37Å; L319-Q323 VanDerWaalsContact O-CG 3.25Å; L319-Q323 WeakPolarHBondContact O-CG 3.47Å; L319-Q323 PolarHBondContact O-N 2.64Å; E320-Q323 PolarHBondContact O-N 3.19Å; L321-Q323 VanDerWaalsContact C-N 3.34Å; L321-Q323 PolarHBondContact O-N 2.91Å; Q323-A327 WeakPolarHBondContact O-CB 3.29Å; Q323-A327 PolarHBondContact O-N 3.47Å
324L87.7Confident85.9Confident22 Ų2273.2 Ų73.212%0.11542%0.418CS..Hα-helixtrans-74.5-35.5178.5-73.9170.9000112.7K298 R301 T302 L305 E320 L321 A327 C328K298-L324 HydrophobicContact CB-CD2 4.28Å; K298-L324 HydrophobicContact CG-CD2 4.29Å; R301-L324 HydrophobicContact CB-CD1 4.27Å; R301-L324 HydrophobicContact CG-CD1 3.73Å; T302-L324 HydrophobicContact CG2-CB 4.46Å; T302-L324 WeakPolarHBondContact OG1-CB 3.41Å; L305-L324 HydrophobicContact CD1-CD1 3.6Å; E320-L324 HydrophobicContact CG-CD1 3.81Å; E320-L324 HydrophobicContact CG-CG 4.49Å; E320-L324 WeakPolarHBondContact O-CB 3.43Å; E320-L324 VanDerWaalsContact O-CG 3.28Å; E320-L324 WeakPolarHBondContact O-CG 3.38Å; E320-L324 PolarHBondContact O-N 3.49Å; L321-L324 PolarHBondContact O-N 3.39Å; L324-A327 PolarHBondContact O-N 3.21Å; L324-C328 PolarHBondContact O-N 3.25Å; L324-C328 PolarHBondContact O-SG 3Å; L324-C328 VanDerWaalsContact O-SG 3.34Å
325E88.9Confident86.8Confident102 Ų10270.6 Ų70.648%0.47739%0.39SS..Hα-helixtrans-62.9-51.1171.8-178.3172.4-13300110.9L321 A327 C328 E329L321-E325 WeakPolarHBondContact O-CB 3.38Å; L321-E325 PolarHBondContact O-N 3.01Å; E325-A327 PolarHBondContact O-N 3.23Å; E325-C328 WeakPolarHBondContact O-CA 3.22Å; E325-C328 WeakPolarHBondContact O-CB 3.41Å; E325-C328 PolarHBondContact O-N 2.7Å; E325-E329 PolarHBondContact O-N 3.06Å
326G87.4Confident87.6Confident24 Ų2471.2 Ų71.225%0.24739%0.39CS..Hα-helixtrans-62-26.1175.300000113.8V322 Q330V322-G326 PolarHBondContact O-N 3.19Å; G326-Q330 WeakPolarHBondContact O-CG 3.31Å; G326-Q330 PolarHBondContact O-N 3.39Å; G326-Q330 PolarHBondContact O-NE2 2.81Å
327A87.3Confident88.4Confident20 Ų2070.1 Ų70.117%0.16538%0.375CS..Hα-helixtrans-73.5-39.9169.800000112.1K298 Q323 L324 E325 Q330 M331K298-A327 HydrophobicContact CD-CB 4.18Å; Q323-A327 WeakPolarHBondContact O-CB 3.29Å; Q323-A327 PolarHBondContact O-N 3.47Å; L324-A327 PolarHBondContact O-N 3.21Å; E325-A327 PolarHBondContact O-N 3.23Å; A327-Q330 PolarHBondContact O-N 2.94Å; A327-M331 WeakPolarHBondContact O-CG 3.37Å; A327-M331 PolarHBondContact O-N 3.3Å
328C89.4Confident89Confident24 Ų2470.2 Ų70.216%0.16237%0.37CS..Hα-helixtrans-62.1-44.2172.8-70.90000112.2T302 L324 E325 Q330 M331 N332T302-C328 PolarHBondContact OG1-SG 3.4Å; T302-C328 VanDerWaalsContact OG1-SG 3.39Å; L324-C328 PolarHBondContact O-N 3.25Å; L324-C328 PolarHBondContact O-SG 3Å; L324-C328 VanDerWaalsContact O-SG 3.34Å; E325-C328 WeakPolarHBondContact O-CA 3.22Å; E325-C328 WeakPolarHBondContact O-CB 3.41Å; E325-C328 PolarHBondContact O-N 2.7Å; C328-Q330 VanDerWaalsContact C-N 3.25Å; C328-Q330 PolarHBondContact O-N 3.47Å; C328-M331 HydrophobicContact CB-CE 4.36Å; C328-M331 PolarHBondContact O-N 3.42Å; C328-N332 PolarHBondContact O-N 2.62Å; C328-N332 VanDerWaalsContact O-N 3.12Å; C328-N332 PolarHBondContact O-OD1 2.61Å
329E90.2Very high89.7Confident134 Ų13471.8 Ų71.863%0.62637%0.373SS*.Hα-helixtrans-56.7-39.5176.3-70.9-161.6131.100112.6E325 M331 N332E325-E329 PolarHBondContact O-N 3.06Å; E329-M331 VanDerWaalsContact C-N 3.32Å; E329-M331 PolarHBondContact O-N 2.76Å; E329-N332 WeakPolarHBondContact O-CB 3.23Å; E329-N332 PolarHBondContact O-N 2.9Å
330Q89.8Confident90.3Very high107 Ų10772.7 Ų72.750%0.537%0.374SS..Hα-helixtrans-71-24.9176.8-72.817285.900113.4V292 G326 A327 C328V292-Q330 HydrophobicContact CG1-CB 4.04Å; V292-Q330 HydrophobicContact CG2-CB 4.16Å; G326-Q330 WeakPolarHBondContact O-CG 3.31Å; G326-Q330 PolarHBondContact O-N 3.39Å; G326-Q330 PolarHBondContact O-NE2 2.81Å; A327-Q330 PolarHBondContact O-N 2.94Å; C328-Q330 VanDerWaalsContact C-N 3.25Å; C328-Q330 PolarHBondContact O-N 3.47Å
331M90.9Very high90.8Very high2 Ų272.3 Ų72.31%0.0137%0.372CS..Hα-helixtrans-80.4-27.6175.7-68.2-176.1-63.800112.9V292 Y293 D295 K298 M299 A327 C328 E329 L334 I335V292-M331 HydrophobicContact CG1-CG 3.85Å; Y293-M331 VanDerWaalsContact O-SD 3.32Å; D295-M331 HydrophobicContact CB-SD 3.96Å; D295-M331 PolarHBondContact N-SD 2.89Å; K298-M331 HydrophobicContact CB-CE 4.21Å; M299-M331 HydrophobicContact CG-CE 3.63Å; M299-M331 HydrophobicContact SD-CE 4.34Å; A327-M331 WeakPolarHBondContact O-CG 3.37Å; A327-M331 PolarHBondContact O-N 3.3Å; C328-M331 HydrophobicContact CB-CE 4.36Å; C328-M331 PolarHBondContact O-N 3.42Å; E329-M331 VanDerWaalsContact C-N 3.32Å; E329-M331 PolarHBondContact O-N 2.76Å; M331-L334 WeakPolarHBondContact O-CB 3.4Å; M331-L334 PolarHBondContact O-N 3.11Å; M331-I335 HydrophobicContact CB-CD1 4.1Å; M331-I335 WeakPolarHBondContact O-CG1 3.33Å; M331-I335 PolarHBondContact O-N 2.93Å
332N90.8Very high91.3Very high82 Ų8276.9 Ų76.944%0.43940%0.396SS..Hα-helixtrans-45.8-53.1-179.4-71.6-20.1000115C328 E329 L334 I335 D336C328-N332 PolarHBondContact O-N 2.62Å; C328-N332 VanDerWaalsContact O-N 3.12Å; C328-N332 PolarHBondContact O-OD1 2.61Å; E329-N332 WeakPolarHBondContact O-CB 3.23Å; E329-N332 PolarHBondContact O-N 2.9Å; N332-L334 PolarHBondContact O-N 2.7Å; N332-I335 WeakPolarHBondContact O-CB 3.32Å; N332-I335 PolarHBondContact O-N 3.46Å; N332-D336 PolarHBondContact O-N 3.34Å
333P92.5Very high91.9Very high81 Ų8178.6 Ų78.653%0.52640%0.402SS..Hα-helixtrans-63.8-27.5-17925-35.5000113.7E337P333-E337 PolarHBondContact O-N 2.94Å; P333-E337 VanDerWaalsContact O-N 3.1Å
334L91.8Very high92.4Very high49 Ų4977.2 Ų77.226%0.25739%0.392SS..Hα-helixtrans-75.4-37.3174.7-58.1170.6000110.8V292 I294 M331 N332 E337 K338V292-L334 HydrophobicContact CB-CD1 4.11Å; V292-L334 HydrophobicContact CG1-CD1 3.96Å; V292-L334 WeakPolarHBondContact O-CD1 3.43Å; I294-L334 HydrophobicContact CD1-CB 4.07Å; I294-L334 HydrophobicContact CG1-CB 3.9Å; M331-L334 WeakPolarHBondContact O-CB 3.4Å; M331-L334 PolarHBondContact O-N 3.11Å; N332-L334 PolarHBondContact O-N 2.7Å; L334-E337 PolarHBondContact O-N 3.41Å; L334-K338 WeakPolarHBondContact O-CG 3.25Å; L334-K338 PolarHBondContact O-N 3.07Å
335I92.8Very high92.8Very high45 Ų4580.1 Ų80.123%0.23140%0.404CS..Hα-helixtrans-64.4-46174.4-64.7164.9000109.6I294 M299 M331 N332 E337 K338 L339I294-I335 HydrophobicContact CD1-CG1 3.85Å; I294-I335 HydrophobicContact CG1-CG1 4.02Å; I294-I335 HydrophobicContact CG2-CD1 4.43Å; I294-I335 HydrophobicContact CG2-CG1 4.06Å; M299-I335 HydrophobicContact SD-CD1 3.84Å; M331-I335 HydrophobicContact CB-CD1 4.1Å; M331-I335 WeakPolarHBondContact O-CG1 3.33Å; M331-I335 PolarHBondContact O-N 2.93Å; N332-I335 WeakPolarHBondContact O-CB 3.32Å; N332-I335 PolarHBondContact O-N 3.46Å; I335-E337 PolarHBondContact O-N 2.85Å; I335-K338 PolarHBondContact O-N 3.13Å; I335-K338 VanDerWaalsContact O-N 3.15Å; I335-L339 HydrophobicContact CG2-CD1 4Å; I335-L339 HydrophobicContact CG2-CG 4.38Å; I335-L339 WeakPolarHBondContact O-CG 3.24Å; I335-L339 PolarHBondContact O-N 2.81Å
336D93.8Very high93.2Very high104 Ų10481.1 Ų81.156%0.55641%0.409SS*.Hα-helixtrans-58.8-43.5175.3-72.9-25.7000112N332 K338 L339 Q340N332-D336 PolarHBondContact O-N 3.34Å; D336-K338 PolarHBondContact O-N 2.92Å; D336-L339 PolarHBondContact O-N 3.41Å; D336-Q340 WeakPolarHBondContact O-CB 3.37Å; D336-Q340 PolarHBondContact O-N 3.01Å
337E94.3Very high93.7Very high97 Ų9783.3 Ų83.345%0.45342%0.42SS..Hα-helixtrans-60.3-43.3174.3-169-154.9119.400111.7P333 L334 I335 Q340 E341P333-E337 PolarHBondContact O-N 2.94Å; P333-E337 VanDerWaalsContact O-N 3.1Å; L334-E337 PolarHBondContact O-N 3.41Å; I335-E337 PolarHBondContact O-N 2.85Å; E337-Q340 PolarHBondContact O-N 3.17Å; E337-E341 WeakPolarHBondContact O-CB 3.35Å; E337-E341 PolarHBondContact O-N 2.93Å
338K93.8Very high94.2Very high103 Ų10387.1 Ų87.145%0.44844%0.435SS..Hα-helixtrans-69.4-35.3177.3-63.6-48.3168.7-139.60113I294 L334 I335 D336 E341 I342I294-K338 HydrophobicContact CD1-CG 3.94Å; L334-K338 WeakPolarHBondContact O-CG 3.25Å; L334-K338 PolarHBondContact O-N 3.07Å; I335-K338 PolarHBondContact O-N 3.13Å; I335-K338 VanDerWaalsContact O-N 3.15Å; D336-K338 PolarHBondContact O-N 2.92Å; K338-E341 PolarHBondContact O-N 3.31Å; K338-I342 WeakPolarHBondContact O-CB 3.47Å; K338-I342 WeakPolarHBondContact O-CD1 3.32Å; K338-I342 WeakPolarHBondContact O-CG1 3.27Å; K338-I342 PolarHBondContact O-N 3.08Å
339L95.3Very high94.5Very high93 Ų9391.5 Ų91.549%0.48746%0.456SS..Hα-helixtrans-64.7-46.2172.8-70.7171.5000111I335 D336 E341 I342 D343I335-L339 HydrophobicContact CG2-CD1 4Å; I335-L339 HydrophobicContact CG2-CG 4.38Å; I335-L339 WeakPolarHBondContact O-CG 3.24Å; I335-L339 PolarHBondContact O-N 2.81Å; D336-L339 PolarHBondContact O-N 3.41Å; L339-E341 VanDerWaalsContact C-N 3.32Å; L339-E341 PolarHBondContact O-N 3.3Å; L339-I342 PolarHBondContact O-N 3.18Å; L339-D343 PolarHBondContact O-N 2.93Å
340Q96.2Very high94.8Very high147 Ų14787.7 Ų87.769%0.68744%0.444SS*.Hα-helixtrans-61.2-38.9176.7-171.9177.512.200112.5D336 E337 R344D336-Q340 WeakPolarHBondContact O-CB 3.37Å; D336-Q340 PolarHBondContact O-N 3.01Å; E337-Q340 PolarHBondContact O-N 3.17Å; Q340-R344 WeakPolarHBondContact O-CB 3.47Å; Q340-R344 PolarHBondContact O-N 3.21Å
341E95.7Very high95.2Very high70 Ų7086.4 Ų86.433%0.32744%0.441SS..Hα-helixtrans-67.7-37.5175.4177.667.7170.500112.5E337 K338 L339 R344 H345E337-E341 WeakPolarHBondContact O-CB 3.35Å; E337-E341 PolarHBondContact O-N 2.93Å; K338-E341 PolarHBondContact O-N 3.31Å; L339-E341 VanDerWaalsContact C-N 3.32Å; L339-E341 PolarHBondContact O-N 3.3Å; E341-R344 IonicContact OE1-CZ 3.13Å; E341-R344 IonicContact OE1-NH2 2.71Å; E341-R344 PolarHBondContact OE1-NH2 3.04Å; E341-R344 IonicContact OE2-CZ 3.08Å; E341-R344 IonicContact OE2-NE 3.09Å; E341-R344 PolarHBondContact OE2-NE 2.94Å; E341-R344 IonicContact OE2-NH2 2.75Å; E341-R344 PolarHBondContact OE2-NH2 3.13Å; E341-H345 PolarHBondContact O-N 2.94Å; E341-H345 IonicContact OE1-CE1 3.99Å; E341-H345 PolarHBondContact OE1-CE1 2.92Å; E341-H345 IonicContact OE1-NE2 3.99Å
342I96.7Very high95.5Very high103 Ų10391.3 Ų91.353%0.52847%0.466SS..Hα-helixtrans-66.2-46.2173.8-72.1164.2000110.6K338 L339 R344 H345 H346K338-I342 WeakPolarHBondContact O-CB 3.47Å; K338-I342 WeakPolarHBondContact O-CD1 3.32Å; K338-I342 WeakPolarHBondContact O-CG1 3.27Å; K338-I342 PolarHBondContact O-N 3.08Å; L339-I342 PolarHBondContact O-N 3.18Å; I342-R344 VanDerWaalsContact C-N 3.33Å; I342-R344 PolarHBondContact O-N 3.43Å; I342-H345 PolarHBondContact O-N 3.09Å; I342-H346 WeakPolarHBondContact O-CB 3.37Å; I342-H346 PolarHBondContact O-N 3.32Å
343D97.1Very high95.8Very high114 Ų11491.7 Ų91.761%0.6147%0.469SS*.Hα-helixtrans-62.3-39.8176.5-82.6-13.3000111.8L339 H346 S347L339-D343 PolarHBondContact O-N 2.93Å; D343-H346 PolarHBondContact O-N 2.91Å; D343-S347 VanDerWaalsContact O-CB 3.32Å; D343-S347 WeakPolarHBondContact O-CB 3.45Å; D343-S347 PolarHBondContact O-N 3.24Å
344R97.7Very high96.1Very high99 Ų9992.7 Ų92.737%0.37447%0.469SS..Hα-helixtrans-59.1-51.1173.2-174.2-178.268.672.7-0.7111.1Q340 E341 I342 H346 S347 E348Q340-R344 WeakPolarHBondContact O-CB 3.47Å; Q340-R344 PolarHBondContact O-N 3.21Å; E341-R344 IonicContact OE1-CZ 3.13Å; E341-R344 IonicContact OE1-NH2 2.71Å; E341-R344 PolarHBondContact OE1-NH2 3.04Å; E341-R344 IonicContact OE2-CZ 3.08Å; E341-R344 IonicContact OE2-NE 3.09Å; E341-R344 PolarHBondContact OE2-NE 2.94Å; E341-R344 IonicContact OE2-NH2 2.75Å; E341-R344 PolarHBondContact OE2-NH2 3.13Å; I342-R344 VanDerWaalsContact C-N 3.33Å; I342-R344 PolarHBondContact O-N 3.43Å; R344-H346 PolarHBondContact O-N 3.05Å; R344-S347 WeakPolarHBondContact O-CB 3.37Å; R344-S347 PolarHBondContact O-N 3.22Å; R344-E348 WeakPolarHBondContact CG-OE1 3.23Å; R344-E348 IonicContact CZ-OE1 2.7Å; R344-E348 IonicContact NH1-OE1 2.7Å; R344-E348 PolarHBondContact NH1-OE1 3.02Å; R344-E348 IonicContact NH1-OE2 2.62Å; R344-E348 PolarHBondContact NH1-OE2 3.05Å; R344-E348 WeakPolarHBondContact O-CG 3.41Å; R344-E348 PolarHBondContact O-N 3.01Å
345H96.4Very high96.3Very high83 Ų8395.4 Ų95.438%0.38448%0.479SS..Hα-helixtrans-64.8-36.8177.6-76.8158.6000113.3E341 I342 E348 L349E341-H345 PolarHBondContact O-N 2.94Å; E341-H345 IonicContact OE1-CE1 3.99Å; E341-H345 PolarHBondContact OE1-CE1 2.92Å; E341-H345 IonicContact OE1-NE2 3.99Å; I342-H345 PolarHBondContact O-N 3.09Å; H345-E348 IonicContact CD2-OE2 4Å; H345-L349 VanDerWaalsContact O-CB 3.3Å; H345-L349 WeakPolarHBondContact O-CB 3.16Å; H345-L349 PolarHBondContact O-N 2.68Å
346H97.4Very high96.6Very high122 Ų12296.7 Ų96.757%0.56549%0.488SS*.Hα-helixtrans-65.5-41.2175.2-178-86.8000111.5I342 D343 R344 S350I342-H346 WeakPolarHBondContact O-CB 3.37Å; I342-H346 PolarHBondContact O-N 3.32Å; D343-H346 PolarHBondContact O-N 2.91Å; R344-H346 PolarHBondContact O-N 3.05Å; H346-S350 VanDerWaalsContact O-CB 3.32Å; H346-S350 WeakPolarHBondContact O-CB 3.48Å; H346-S350 PolarHBondContact O-N 3.41Å; H346-S350 PolarHBondContact O-OG 2.82Å
347S97.6Very high96.7Very high71 Ų7196.7 Ų96.750%0.49749%0.486SS..Hα-helixtrans-61.2-52.6173.7-169.20000111.1D343 R344 L349 S350 D351D343-S347 VanDerWaalsContact O-CB 3.32Å; D343-S347 WeakPolarHBondContact O-CB 3.45Å; D343-S347 PolarHBondContact O-N 3.24Å; R344-S347 WeakPolarHBondContact O-CB 3.37Å; R344-S347 PolarHBondContact O-N 3.22Å; S347-L349 VanDerWaalsContact C-N 3.33Å; S347-L349 PolarHBondContact O-N 3.39Å; S347-S350 WeakPolarHBondContact O-CB 3.49Å; S347-S350 PolarHBondContact O-N 3.39Å; S347-S350 VanDerWaalsContact O-N 3.11Å; S347-D351 WeakPolarHBondContact O-CB 3.49Å; S347-D351 PolarHBondContact O-N 3.11Å
348E97.4Very high96.8Very high99 Ų9998.1 Ų98.146%0.46349%0.493SS..Hα-helixtrans-57.7-41178.3-75.1170.5-165.700113.1R344 H345 L352R344-E348 WeakPolarHBondContact CG-OE1 3.23Å; R344-E348 IonicContact CZ-OE1 2.7Å; R344-E348 IonicContact NH1-OE1 2.7Å; R344-E348 PolarHBondContact NH1-OE1 3.02Å; R344-E348 IonicContact NH1-OE2 2.62Å; R344-E348 PolarHBondContact NH1-OE2 3.05Å; R344-E348 WeakPolarHBondContact O-CG 3.41Å; R344-E348 PolarHBondContact O-N 3.01Å; H345-E348 IonicContact CD2-OE2 4Å; E348-L352 WeakPolarHBondContact O-CB 3.17Å; E348-L352 PolarHBondContact O-N 3.15Å
349L96.8Very high96.9Very high116 Ų11696 Ų9661%0.60749%0.494SS*.Hα-helixtrans-68.8-39.1176.4-176.561.2000112.3H345 S347 L352 N353H345-L349 VanDerWaalsContact O-CB 3.3Å; H345-L349 WeakPolarHBondContact O-CB 3.16Å; H345-L349 PolarHBondContact O-N 2.68Å; S347-L349 VanDerWaalsContact C-N 3.33Å; S347-L349 PolarHBondContact O-N 3.39Å; L349-L352 PolarHBondContact O-N 3.45Å; L349-N353 WeakPolarHBondContact O-CB 3.33Å; L349-N353 PolarHBondContact O-N 3.28Å
350S97.3Very high96.9Very high55 Ų5596.5 Ų96.539%0.38550%0.497SS..Hα-helixtrans-64.3-44.2175.6-61.50000111.4H346 S347 N353 L354H346-S350 VanDerWaalsContact O-CB 3.32Å; H346-S350 WeakPolarHBondContact O-CB 3.48Å; H346-S350 PolarHBondContact O-N 3.41Å; H346-S350 PolarHBondContact O-OG 2.82Å; S347-S350 WeakPolarHBondContact O-CB 3.49Å; S347-S350 PolarHBondContact O-N 3.39Å; S347-S350 VanDerWaalsContact O-N 3.11Å; S350-N353 PolarHBondContact O-N 3.37Å; S350-L354 WeakPolarHBondContact O-CB 3.42Å; S350-L354 PolarHBondContact O-N 3.34Å
351D97.6Very high96.9Very high80 Ų8096.2 Ų96.243%0.42850%0.496SS..Hα-helixtrans-61.9-41.1175.9-120.740.2000112S347 K355S347-D351 WeakPolarHBondContact O-CB 3.49Å; S347-D351 PolarHBondContact O-N 3.11Å; D351-K355 VanDerWaalsContact O-CD 3.25Å; D351-K355 WeakPolarHBondContact O-CD 3.48Å; D351-K355 VanDerWaalsContact O-CG 3.24Å; D351-K355 WeakPolarHBondContact O-CG 3.19Å; D351-K355 PolarHBondContact O-N 3.18Å; D351-K355 VanDerWaalsContact O-N 3.07Å; D351-K355 IonicContact OD2-NZ 3.18Å; D351-K355 PolarHBondContact OD2-NZ 2.97Å
352L97.3Very high96.8Very high104 Ų10497.4 Ų97.455%0.54550%0.504SS..Hα-helixtrans-67.6-43.5176-177.860.9000111.5E348 L349 L354 K355 V356E348-L352 WeakPolarHBondContact O-CB 3.17Å; E348-L352 PolarHBondContact O-N 3.15Å; L349-L352 PolarHBondContact O-N 3.45Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L352-L354 PolarHBondContact O-N 3.12Å; L352-K355 PolarHBondContact O-N 3.5Å; L352-V356 WeakPolarHBondContact O-CG2 3.3Å; L352-V356 PolarHBondContact O-N 3.17Å
353N96.9Very high96.6Very high91 Ų9199 Ų9949%0.48750%0.504SS..Hα-helixtrans-60.8-41.7175.6-175.743.9000111.7L349 S350 V356 M357L349-N353 WeakPolarHBondContact O-CB 3.33Å; L349-N353 PolarHBondContact O-N 3.28Å; S350-N353 PolarHBondContact O-N 3.37Å; N353-V356 PolarHBondContact O-N 2.97Å; N353-M357 WeakPolarHBondContact O-CG 3.46Å; N353-M357 PolarHBondContact O-N 2.96Å
354L97.9Very high96.3Very high101 Ų10197.1 Ų97.153%0.52950%0.497SS..Hα-helixtrans-61.7-46.1175-169.8153.2000111.6S350 L352 V356 M357 E358S350-L354 WeakPolarHBondContact O-CB 3.42Å; S350-L354 PolarHBondContact O-N 3.34Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L352-L354 PolarHBondContact O-N 3.12Å; L354-V356 VanDerWaalsContact C-N 3.31Å; L354-V356 PolarHBondContact O-N 2.9Å; L354-M357 PolarHBondContact O-N 3.4Å; L354-E358 PolarHBondContact O-N 3.29Å
355K97.3Very high96.1Very high107 Ų10798.3 Ų98.347%0.46551%0.505SS..Hα-helixtrans-62.3-35.3176-70.1157.6-165.9152.20112.5D351 L352 A359D351-K355 VanDerWaalsContact O-CD 3.25Å; D351-K355 WeakPolarHBondContact O-CD 3.48Å; D351-K355 VanDerWaalsContact O-CG 3.24Å; D351-K355 WeakPolarHBondContact O-CG 3.19Å; D351-K355 PolarHBondContact O-N 3.18Å; D351-K355 VanDerWaalsContact O-N 3.07Å; D351-K355 IonicContact OD2-NZ 3.18Å; D351-K355 PolarHBondContact OD2-NZ 2.97Å; L352-K355 PolarHBondContact O-N 3.5Å; K355-A359 VanDerWaalsContact O-CB 3.3Å; K355-A359 WeakPolarHBondContact O-CB 3.34Å; K355-A359 PolarHBondContact O-N 2.85Å
356V97.5Very high95.7Very high71 Ų7199.2 Ų99.243%0.4351%0.512SS..Hα-helixtrans-67.3-43.4173.61690000111.2L352 N353 L354 A359 L360L352-V356 WeakPolarHBondContact O-CG2 3.3Å; L352-V356 PolarHBondContact O-N 3.17Å; N353-V356 PolarHBondContact O-N 2.97Å; L354-V356 VanDerWaalsContact C-N 3.31Å; L354-V356 PolarHBondContact O-N 2.9Å; V356-A359 PolarHBondContact O-N 3.32Å; V356-L360 HydrophobicContact CG1-CD1 4.01Å; V356-L360 WeakPolarHBondContact O-CB 3.3Å; V356-L360 VanDerWaalsContact O-CG 3.3Å; V356-L360 WeakPolarHBondContact O-CG 3.48Å; V356-L360 PolarHBondContact O-N 3.2Å
357M96.3Very high95.1Very high104 Ų10499.4 Ų99.451%0.51252%0.515SS..Hα-helixtrans-64-43.2175.8-70.8-174.6-69.300112.1N353 L354 A359 L360 E361N353-M357 WeakPolarHBondContact O-CG 3.46Å; N353-M357 PolarHBondContact O-N 2.96Å; L354-M357 PolarHBondContact O-N 3.4Å; M357-A359 PolarHBondContact O-N 3.45Å; M357-L360 PolarHBondContact O-N 3.46Å; M357-E361 PolarHBondContact O-N 2.72Å
358E97.1Very high94.3Very high127 Ų127102.1 Ų102.159%0.59352%0.523SS*.Hα-helixtrans-60.9-43.8174.4-175.6-179.3-165.400111.7L354 L360 E361 L362L354-E358 PolarHBondContact O-N 3.29Å; E358-L360 VanDerWaalsContact C-N 3.34Å; E358-L360 PolarHBondContact O-N 2.69Å; E358-E361 PolarHBondContact O-N 2.63Å; E358-L362 WeakPolarHBondContact O-CB 3.3Å; E358-L362 PolarHBondContact O-N 2.78Å
359A95.9Very high93.3Very high58 Ų58103.5 Ų103.548%0.47953%0.53SS..Hα-helixtrans-64-37176.900000112.7K355 V356 M357 Y363K355-A359 VanDerWaalsContact O-CB 3.3Å; K355-A359 WeakPolarHBondContact O-CB 3.34Å; K355-A359 PolarHBondContact O-N 2.85Å; V356-A359 PolarHBondContact O-N 3.32Å; M357-A359 PolarHBondContact O-N 3.45Å; A359-Y363 VanDerWaalsContact O-CB 3.3Å; A359-Y363 WeakPolarHBondContact O-CB 3.28Å; A359-Y363 PolarHBondContact O-N 3.28Å
360L95.2Very high91.6Very high104 Ų104101.6 Ų101.655%0.54553%0.531SS..Hα-helixtrans-71.4-37.4175.2-71.7171.3000112.3V356 M357 E358 T364V356-L360 HydrophobicContact CG1-CD1 4.01Å; V356-L360 WeakPolarHBondContact O-CB 3.3Å; V356-L360 VanDerWaalsContact O-CG 3.3Å; V356-L360 WeakPolarHBondContact O-CG 3.48Å; V356-L360 PolarHBondContact O-N 3.2Å; M357-L360 PolarHBondContact O-N 3.46Å; E358-L360 VanDerWaalsContact C-N 3.34Å; E358-L360 PolarHBondContact O-N 2.69Å; L360-T364 VanDerWaalsContact O-CB 3.28Å; L360-T364 WeakPolarHBondContact O-CB 3.33Å; L360-T364 PolarHBondContact O-N 2.9Å; L360-T364 PolarHBondContact O-OG1 2.89Å
361E95.4Very high90Very high141 Ų141103.5 Ų103.566%0.65954%0.542SS*.Hα-helixtrans-64.2-47.3171.5-170-174.1156.500110.6M357 E358 Y363 T364 K365M357-E361 PolarHBondContact O-N 2.72Å; E358-E361 PolarHBondContact O-N 2.63Å; E361-Y363 PolarHBondContact O-N 3.38Å; E361-T364 CarbonylContact O-C 3.58Å; E361-T364 PolarHBondContact O-N 3.32Å; E361-T364 VanDerWaalsContact O-N 3.17Å; E361-K365 VanDerWaalsContact O-CB 3.32Å; E361-K365 WeakPolarHBondContact O-CB 3.43Å; E361-K365 PolarHBondContact O-N 3.11Å
362L93.7Very high88Confident95 Ų95109.8 Ų109.850%0.49756%0.561SS.*Hα-helixtrans-61-43.8178.2-179.961.1000112E358 K365 L366E358-L362 WeakPolarHBondContact O-CB 3.3Å; E358-L362 PolarHBondContact O-N 2.78Å; L362-K365 PolarHBondContact O-N 2.94Å; L362-L366 HydrophobicContact CD1-CD1 4.12Å; L362-L366 HydrophobicContact CD1-CG 4.26Å; L362-L366 HydrophobicContact CG-CD1 4.04Å; L362-L366 WeakPolarHBondContact O-CB 3.32Å; L362-L366 VanDerWaalsContact O-CG 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.35Å; L362-L366 PolarHBondContact O-N 3.17Å
363Y92.9Very high85.9Confident138 Ų138114 Ų11454%0.54157%0.571SS.*Hα-helixtrans-59.2-48172.5173.3-92.8000111.4A359 E361 K365 L366 M367A359-Y363 VanDerWaalsContact O-CB 3.3Å; A359-Y363 WeakPolarHBondContact O-CB 3.28Å; A359-Y363 PolarHBondContact O-N 3.28Å; E361-Y363 PolarHBondContact O-N 3.38Å; Y363-K365 VanDerWaalsContact C-N 3.29Å; Y363-K365 PolarHBondContact O-N 2.91Å; Y363-L366 PolarHBondContact O-N 3.39Å; Y363-M367 HydrophobicContact CD1-CG 4.35Å; Y363-M367 HydrophobicContact CD2-CE 4.29Å; Y363-M367 HydrophobicContact CD2-CG 4.36Å; Y363-M367 HydrophobicContact CE1-CG 3.93Å; Y363-M367 HydrophobicContact CE2-CE 3.47Å; Y363-M367 VanDerWaalsContact CE2-CE 3.47Å; Y363-M367 HydrophobicContact CE2-CG 3.96Å; Y363-M367 WeakPolarHBondContact O-CB 3.42Å; Y363-M367 WeakPolarHBondContact O-CG 3.41Å; Y363-M367 PolarHBondContact O-N 3.35Å
364T90.6Very high83.8Confident73 Ų73112 Ų11245%0.44857%0.567SS.*Hα-helixtrans-61.9-39179-59.60000111.2L360 E361 N368L360-T364 VanDerWaalsContact O-CB 3.28Å; L360-T364 WeakPolarHBondContact O-CB 3.33Å; L360-T364 PolarHBondContact O-N 2.9Å; L360-T364 PolarHBondContact O-OG1 2.89Å; E361-T364 CarbonylContact O-C 3.58Å; E361-T364 PolarHBondContact O-N 3.32Å; E361-T364 VanDerWaalsContact O-N 3.17Å; T364-N368 WeakPolarHBondContact O-CB 3.31Å; T364-N368 PolarHBondContact O-N 2.9Å; T364-N368 VanDerWaalsContact O-N 3.09Å; T364-N368 PolarHBondContact O-ND2 2.88Å
365K92.9Very high81.7Confident124 Ų124109.9 Ų109.954%0.53956%0.564SS.*Hα-helixtrans-65.2-50.2175.8-176.2178.3179.9178.60111.6E361 L362 Y363 M367 N368 E369E361-K365 VanDerWaalsContact O-CB 3.32Å; E361-K365 WeakPolarHBondContact O-CB 3.43Å; E361-K365 PolarHBondContact O-N 3.11Å; L362-K365 PolarHBondContact O-N 2.94Å; Y363-K365 VanDerWaalsContact C-N 3.29Å; Y363-K365 PolarHBondContact O-N 2.91Å; K365-M367 VanDerWaalsContact C-N 3.3Å; K365-M367 PolarHBondContact O-N 2.78Å; K365-N368 CarbonylContact O-C 3.48Å; K365-N368 PolarHBondContact O-N 3.09Å; K365-N368 VanDerWaalsContact O-N 3.11Å; K365-E369 PolarHBondContact O-N 2.76Å
366L89.7Confident79.6Confident103 Ų103112.9 Ų112.954%0.53957%0.574SS.*Hα-helixtrans-63.2-33.1178.4-72.2169000112.9L362 Y363L362-L366 HydrophobicContact CD1-CD1 4.12Å; L362-L366 HydrophobicContact CD1-CG 4.26Å; L362-L366 HydrophobicContact CG-CD1 4.04Å; L362-L366 WeakPolarHBondContact O-CB 3.32Å; L362-L366 VanDerWaalsContact O-CG 3.31Å; L362-L366 WeakPolarHBondContact O-CG 3.35Å; L362-L366 PolarHBondContact O-N 3.17Å; Y363-L366 PolarHBondContact O-N 3.39Å
367M83.6Confident77.4Confident126 Ų126113.2 Ų113.262%0.62158%0.579SS**Hα-helixtrans-77.3-21.2174.9-71.2-64.317300113.6Y363 K365Y363-M367 HydrophobicContact CD1-CG 4.35Å; Y363-M367 HydrophobicContact CD2-CE 4.29Å; Y363-M367 HydrophobicContact CD2-CG 4.36Å; Y363-M367 HydrophobicContact CE1-CG 3.93Å; Y363-M367 HydrophobicContact CE2-CE 3.47Å; Y363-M367 VanDerWaalsContact CE2-CE 3.47Å; Y363-M367 HydrophobicContact CE2-CG 3.96Å; Y363-M367 WeakPolarHBondContact O-CB 3.42Å; Y363-M367 WeakPolarHBondContact O-CG 3.41Å; Y363-M367 PolarHBondContact O-N 3.35Å; K365-M367 VanDerWaalsContact C-N 3.3Å; K365-M367 PolarHBondContact O-N 2.78Å
368N80.3Confident75.3Confident127 Ų127116.7 Ų116.768%0.67959%0.592SS**Hα-helixtrans-93.5-17.6174.1-77-65000113.4T364 K365 A370T364-N368 WeakPolarHBondContact O-CB 3.31Å; T364-N368 PolarHBondContact O-N 2.9Å; T364-N368 VanDerWaalsContact O-N 3.09Å; T364-N368 PolarHBondContact O-ND2 2.88Å; K365-N368 CarbonylContact O-C 3.48Å; K365-N368 PolarHBondContact O-N 3.09Å; K365-N368 VanDerWaalsContact O-N 3.11Å; N368-A370 PolarHBondContact O-N 3.45Å; N368-A370 VanDerWaalsContact O-N 3.13Å
369E76.3Confident73.2Confident129 Ų129117.1 Ų117.160%0.60360%0.596SS**SBendtrans-68.2106.5165.1-76.7-166.2139.400109.6K365K365-E369 PolarHBondContact O-N 2.76Å
370A62.6Low71.1Confident75 Ų75122.5 Ų122.562%0.6261%0.611SS**  trans-56.6137.6-174.900000111.8N368 Y372N368-A370 PolarHBondContact O-N 3.45Å; N368-A370 VanDerWaalsContact O-N 3.13Å; A370-Y372 PolarHBondContact O-N 3.13Å
371P62.2Low68.9Low96 Ų96123.2 Ų123.262%0.62362%0.62SS**  trans-59.5140.2-175.524-34.5000111.2Y373 A374P371-Y373 PolarHBondContact O-N 3.09Å; P371-A374 WeakPolarHBondContact O-CB 3.43Å; P371-A374 PolarHBondContact O-N 3.26Å
372Y55.7Low66.6Low211 Ų211124.4 Ų124.483%0.82763%0.625SS**THydrogen-bonded Turntrans-49-25.3-174.4-134.2-103.5000114.5A370 A374 A375A370-Y372 PolarHBondContact O-N 3.13Å; Y372-A374 PolarHBondContact O-N 2.86Å; Y372-A375 PolarHBondContact O-N 2.84Å
373Y53.6Low64.4Low192 Ų192130.7 Ų130.775%0.75364%0.644SS**Hα-helixtrans-55.2-28.5171.1-82.1-87.3000115.2P371 A375 Y376 S377P371-Y373 PolarHBondContact O-N 3.09Å; Y373-A375 PolarHBondContact O-N 3.19Å; Y373-Y376 PolarHBondContact O-N 3.26Å; Y373-S377 PolarHBondContact O-N 3.26Å; Y373-S377 VanDerWaalsContact O-N 3.09Å
374A53.4Low61.9Low50 Ų50127.2 Ų127.241%0.41365%0.65SS.*Hα-helixtrans-64-25.5179.500000113P371 Y372P371-A374 WeakPolarHBondContact O-CB 3.43Å; P371-A374 PolarHBondContact O-N 3.26Å; Y372-A374 PolarHBondContact O-N 2.86Å
375A53.3Low59.5Low56 Ų56130 Ų13046%0.46367%0.669SS.*Hα-helixtrans-75.4-44.1172.900000111.9Y372 Y373 S377 K378Y372-A375 PolarHBondContact O-N 2.84Å; Y373-A375 PolarHBondContact O-N 3.19Å; A375-S377 PolarHBondContact O-N 3.35Å; A375-K378 PolarHBondContact O-N 3.48Å
376Y53.8Low57.3Low170 Ų170130.3 Ų130.367%0.66768%0.684SS**Hα-helixtrans-61.8-43179.1-104.6-89.5000112.7Y373 K378 M379Y373-Y376 PolarHBondContact O-N 3.26Å; Y376-K378 PolarHBondContact O-N 3.04Å; Y376-M379 PolarHBondContact O-N 3.21Å
377S51.7Low54.7Low78 Ų78128.7 Ų128.755%0.54569%0.693SS.*Hα-helixtrans-53.6-39.7178.8-179.50000112.8Y373 A375 M379 Q380Y373-S377 PolarHBondContact O-N 3.26Å; Y373-S377 VanDerWaalsContact O-N 3.09Å; A375-S377 PolarHBondContact O-N 3.35Å; S377-M379 VanDerWaalsContact C-N 3.27Å; S377-M379 PolarHBondContact O-N 3.33Å; S377-Q380 PolarHBondContact O-N 3.29Å
378K52.3Low52.4Low177 Ų177129 Ų12977%0.7771%0.707SS**Hα-helixtrans-71.2-16.4-178.9-66.9-177.4-178.11790114.4A375 Y376A375-K378 PolarHBondContact O-N 3.48Å; Y376-K378 PolarHBondContact O-N 3.04Å
379M51.9Low50.4Low137 Ų137128.1 Ų128.168%0.67571%0.711SS**Hα-helixtrans-84.8-22.7177.6-57.5-172.7-17500112.6Y376 S377Y376-M379 PolarHBondContact O-N 3.21Å; S377-M379 VanDerWaalsContact C-N 3.27Å; S377-M379 PolarHBondContact O-N 3.33Å
380Q52.3Low48.6Very low170 Ų170128.3 Ų128.379%0.79472%0.72SS**Hα-helixtrans-86.7-15.6-171.6-159.7162.84.100113.8S377 Q382S377-Q380 PolarHBondContact O-N 3.29Å; Q380-Q382 VanDerWaalsContact C-N 3.28Å; Q380-Q382 PolarHBondContact O-N 3.34Å
381T48.2Very low48.6Very low120 Ų120130 Ų13074%0.73673%0.725SS**THydrogen-bonded Turntrans-78.3-4-177.8-35.60000114.2Y383T381-Y383 PolarHBondContact O-N 3.46Å
382Q47.9Very low47.1Very low166 Ų166133 Ų13378%0.77673%0.733SS**THydrogen-bonded Turntrans-870.3-169.2-151.6164.230.500115.2Q380Q380-Q382 VanDerWaalsContact C-N 3.28Å; Q380-Q382 PolarHBondContact O-N 3.34Å
383Y46.2Very low46Very low226 Ų226131.3 Ų131.389%0.88673%0.733SS**  trans-126.586.8177.6-77.8-85000112.4T381T381-Y383 PolarHBondContact O-N 3.46Å
384G41.4Very low45Very low65 Ų65126.7 Ų126.767%0.6773%0.734SS**  trans-142134.6168.300000110.7
385P40.3Very low43.9Very low131 Ų131134.9 Ų134.985%0.85176%0.756SS**  trans-79.1158.4-173.731.8-35.6000113.6
386P46.9Very low42.8Very low131 Ų131138.9 Ų138.985%0.85177%0.768SS**  trans-97.1157.3-17037.3-36.4000115.7
387G35.5Very low41.5Very low70 Ų70134.2 Ų134.272%0.72277%0.772SS**  trans98.3149.8167.200000114.8
388S34.8Very low41.4Very low132 Ų132136.6 Ų136.692%0.92379%0.786SS**  cis-152.9174.9-6.1-79.60000110
389S38.2Very low40.5Very low109 Ų109133.2 Ų133.276%0.76279%0.791SS**  trans-102.5175.4-160.352.30000116.9
390V37.8Very low39.5Very low132 Ų132130.6 Ų130.680%0.880%0.799SS**  trans93.3131.4165.2-169.60000116.6
391P63.2Low38.6Very low112 Ų112127.2 Ų127.273%0.72780%0.8SS**  trans-106.8168.1-176.841.3-35.9000114.6
392M31.5Very low38.9Very low157 Ų157126.8 Ų126.877%0.77380%0.8SS**  trans-168.9133.5149.9-152.7104.8-18000115.2
393Q32.3Very low38.1Very low177 Ų177130.3 Ų130.383%0.82781%0.807SS**  trans56.2174.4145.7-80.2170.8-23.600122.4
394A33Very low37.8Very low94 Ų94127.1 Ų127.178%0.77781%0.805SS**  trans-139.5157.5-167.300000112.7
395Y29.3Very low38.3Very low223 Ų223129.3 Ų129.388%0.87581%0.807SS**  trans-157.9-178.1159.8-137.7-117.4000113.9
396L30.2Very low39Very low139 Ų139129.1 Ų129.173%0.72881%0.806SS**  trans-75.2173.4-161.7-76.581.5000117.2
397G27Very low38.3Very low73 Ų73126.9 Ų126.975%0.75381%0.806SS**  trans-76.9-147.4170.400000114.7
398P50Low38.1Very low127 Ų127127.1 Ų127.183%0.82581%0.809SS**  cis-146-177.928.244.5-24.8000118.3
399A32.6Very low38.8Very low107 Ų107126.6 Ų126.688%0.88480%0.802SS**  trans41134.2145.200000124.5
400G30.2Very low38.6Very low81 Ų81129.6 Ų129.684%0.83580%0.804SS**  trans172.4140.6160.400000114.4
401A33.6Very low38.5Very low100 Ų100129.2 Ų129.283%0.82680%0.802SS**  trans-162.5-172.9-178.200000110.3
402P55.3Low38Very low111 Ų111129.1 Ų129.172%0.72180%0.802SS**  cis-123.8179.3-41.838.1-24.3000112.5
403Y31.4Very low39.3Very low240 Ų240127.9 Ų127.994%0.94181%0.805SS**  trans-147150.4161-94-78.1000114.6
404L39.6Very low39.2Very low159 Ų159123.2 Ų123.283%0.83280%0.797SS**  trans-106.3175.2174.1-92.1162.5000109.3
405P51.2Low39.2Very low110 Ų110126.6 Ų126.671%0.71480%0.797SS**  cis-151.3-137.940.939.4-12.6000114.3
406P55.3Low39.9Very low127 Ų127121.2 Ų121.283%0.82579%0.789SS**  -114.1-166.3-69.729.5-9000113.5
407G33.3Very low40Very low84 Ų84124.2 Ų124.287%0.86679%0.792SS**  trans-170.4-169.7174.200000117.9
408G29.6Very low40.2Very low75 Ų75126 Ų12677%0.77379%0.793SS**  trans119.4167.3176.600000114.5
409P49.4Very low39.4Very low121 Ų121127.2 Ų127.279%0.78679%0.792SS**  cis-141.3152.5-1.841.9-23.3000119.1
410Q34.6Very low40Very low172 Ų172127.9 Ų127.980%0.80479%0.787SS**  trans68.9119.3134.7-79.2-170.8-13.700128.2
411V36.1Very low40.1Very low124 Ų124130.2 Ų130.275%0.75278%0.78SS**  trans55.4167.6131.7-59.90000123.7
412P52.6Low40Very low111 Ų111132.5 Ų132.572%0.72178%0.779SS**  cis-123-172.5-25.222.90.4000112.4
413P57.9Low39Very low130 Ų130135.3 Ų135.384%0.84478%0.782SS**  cis-119.5-138.2726.50.8000111.7
414A32.1Very low39.5Very low79 Ų79129.5 Ų129.565%0.65377%0.774SS**  cis-154.3-131.27.700000114.8
415Q31.3Very low39Very low165 Ų165124.9 Ų124.977%0.77177%0.765SS**  trans-154.5164.5-165.1-81-54.2-6700110.7
416P45.3Very low39Very low111 Ų111125.1 Ų125.172%0.72177%0.767SS**  cis-143.716429.839.2-18.1000120.9
417Y31.3Very low37.7Very low202 Ų202125.8 Ų125.879%0.79276%0.763SS**  trans65.1101.9145.5-90.8-107000124.2
418S31.8Very low37.6Very low111 Ų111128.9 Ų128.978%0.77675%0.754SS**  59.5136.7119.1-52.30000124.8
419L34Very low37.7Very low151 Ų151129.8 Ų129.879%0.79175%0.748SS**  trans-114.2165.1175.5-14075.9000111.4N421L419-N421 HydrophobicContact CD2-CB 4.16Å
420P44.3Very low36.9Very low121 Ų121131.8 Ų131.879%0.78675%0.751SS**  -142.914486.336.4-20000113.7
421N32.5Very low37.1Very low130 Ų130129.3 Ų129.370%0.69575%0.75SS**  73.3104.757.8-168.696.4000116.3L419L419-N421 HydrophobicContact CD2-CB 4.16Å
422D30.3Very low38Very low149 Ų149128.5 Ų128.580%0.79775%0.747SS**  trans-154.8150.1135-152.2-79.9000110.9
423Q34.6Very low36.9Very low169 Ų169129.4 Ų129.479%0.7975%0.751SS**  trans-168142.1178.6-158.9-165.331.400111.6
424P41.7Very low35.7Very low119 Ų119129.4 Ų129.477%0.77375%0.748SS**  -141.7157.5125.230.4-13.6000115.2
425G29.9Very low35.5Very low62 Ų62132 Ų13264%0.63976%0.756SS**  trans-100.5-140.1171.100000112.6
426P50.3Low35.6Very low115 Ų115128.2 Ų128.275%0.74775%0.753SS**  cis-143.5-157-2.536.2-11.7000114.9
427L29.2Very low35.4Very low141 Ų141128.6 Ų128.674%0.73876%0.755SS**  trans80.1145.1168.8-47.8-179000116.9
428H31.8Very low36.1Very low148 Ų148125 Ų12569%0.68576%0.757SS**  cis-139.1150.6-1.1-102.4-52.9000109
429S31.3Very low36.1Very low94 Ų94126.7 Ų126.766%0.65776%0.757SS**  53.4133.182.9-38.50000113.5
430I32.6Very low36Very low164 Ų164125 Ų12584%0.84176%0.757SS**  cis-157.3175.438.610172.6000111.4
431P38.4Very low35.4Very low119 Ų119127.9 Ų127.977%0.77376%0.761SS**  trans-108.8-141.1-16948-39.7000114.8
432P55Low35.2Very low108 Ų108126.5 Ų126.570%0.70177%0.767SS**  trans-121.3171.7-135.433.8-11.1000118
433T30.4Very low35.1Very low130 Ų130123.6 Ų123.680%0.79876%0.764SS**  trans147.2138135.949.40000115.6
434V32.1Very low34.8Very low130 Ų130124.3 Ų124.379%0.78877%0.768SS**  trans41.5125.5142.5-175.70000121.1
435T27.8Very low34.6Very low134 Ų134123.8 Ų123.882%0.82276%0.764SS**  178.9149.8114.8-64.70000110.6
436A34.2Very low35Very low84 Ų84126.3 Ų126.369%0.69477%0.769SS**  trans-102.5162.5175.900000112.7
437P40.8Very low33.9Very low120 Ų120131.6 Ų131.678%0.77978%0.776SS**  -144.6-165.6129.941.4-25000111.9
438P45.7Very low34Very low127 Ų127132.9 Ų132.983%0.82578%0.78SS**  -121.4179.2-82.438.3-22.6000113.3
439N30.8Very low33.9Very low145 Ų145130.8 Ų130.878%0.77578%0.782SS**  trans-109.5149.6-177.5-171.311000112
440S32.7Very low33.8Very low115 Ų115132 Ų13280%0.80479%0.79SS**  trans-146.3144.6167.458.10000111.3
441Q31.1Very low33.8Very low182 Ų182127.7 Ų127.785%0.8579%0.787SS**  trans-111148.9-160.7-64.2173.8-26.100114.4
442A27.9Very low33.3Very low101 Ų101130.5 Ų130.584%0.83579%0.792SS**  trans-147.2105.8141.400000107.1
443A29.2Very low32Very low89 Ų89131.9 Ų131.974%0.73679%0.794SS**  85.395.163.600000113.3
444Q28.4Very low31.9Very low184 Ų184129.8 Ų129.886%0.8678%0.784SS**  trans-137.7150.3158.9-77.8-61.6-31.500108.2
445P37.7Very low31.6Very low108 Ų108132.2 Ų132.270%0.70179%0.787SS**PPolyproline II helixtrans-84.6156.2-164.533.3-35.6000114.2
446P38.7Very low31.5Very low115 Ų115136.2 Ų136.275%0.74779%0.788SS**PPolyproline II helixtrans-88.2149.7-175.935-35.5000114
447Y26.6Very low31.2Very low226 Ų226140.6 Ų140.689%0.88680%0.797SS**PPolyproline II helixtrans-80136.7161.1-157.5-90.7000109
448M31.3Very low30.6Very low167 Ų167140.2 Ų140.282%0.82379%0.792SS**  trans-131.6129170.7-69.5-159.977.200110.6
449S30.5Very low29.8Very low104 Ų104143 Ų14373%0.72779%0.794SS**  trans-97140.8173.5-178.20000110.5
450S28.9Very low29.6Very low119 Ų119140.1 Ų140.183%0.83279%0.79SS**  trans-162.4136.6164.9-78.20000108.4
451G31.2Very low30.1Very low75 Ų75140.8 Ų140.877%0.77379%0.792SS**  trans-150.9149.1176.600000112.3
452M29Very low29.9Very low178 Ų178136 Ų13688%0.87779%0.792SS**  trans-159.7104.3156.4-168.664.181.400111.7
453N28Very low30.2Very low137 Ų137135.9 Ų135.973%0.73379%0.791SS**  trans41.5133.9142.7-148.113.9000124
454S28Very low30.8Very low85 Ų85137.7 Ų137.759%0.59480%0.795SS**  trans59.5121.2142.961.90000122.3
455Q25Very low31Very low182 Ų182139.4 Ų139.485%0.8580%0.795SS**  -165.6169.2100.1-103-179.3-7.900113.1
456Y26.3Very low31.5Very low218 Ų218140.4 Ų140.486%0.85580%0.802SS**  trans-84.7157.3-166.6-45.8-98.7000113.9
457M28.6Very low31.2Very low176 Ų176138.7 Ų138.787%0.86780%0.804SS**  176.4131.8110.4-167.5156-175.900115.2
458T28.1Very low31.3Very low112 Ų112137.5 Ų137.569%0.68781%0.807SS**  trans-27.5133.9166.8-29.70000119.9
459Q27.1Very low31.2Very low184 Ų184134.6 Ų134.686%0.8681%0.809SS**  178.3150.2112.9-99.6174.182.900116.9
460A27.5Very low31Very low85 Ų85133.1 Ų133.170%0.70281%0.811SS**  trans-135.1178.1161.100000106.2
461P42.2Very low31.1Very low130 Ų130134.8 Ų134.884%0.84482%0.816SS**  cis-134.7-170.87.143.6-26.1000114.5
462G27.7Very low31Very low81 Ų81135.4 Ų135.484%0.83581%0.813SS**  trans166.4109.5161.800000116.7
463A34.3Very low31.1Very low99 Ų99135.9 Ų135.982%0.81882%0.815SS**  trans-121.8160.6158.500000107.7
464P42Very low31Very low127 Ų127136.8 Ų136.883%0.82582%0.82SS**  -152.7176.277.140.1-20.1000117.2
465Y32.3Very low31Very low220 Ų220140.1 Ų140.186%0.86383%0.829SS**  trans-73.5157.3162.3-86.6-85.4000111.9
466P49.2Very low31.3Very low129 Ų129136.5 Ų136.584%0.83882%0.823SS**  -140.1-171.273.336.9-16.3000113.3
467G30.6Very low31.4Very low78 Ų78129.9 Ų129.980%0.80481%0.814SS**  cis-167.4-158.19.900000113.5
468Q29.8Very low31.5Very low202 Ų202132.7 Ų132.794%0.94482%0.816SS**  trans-131.4130.1-153.4178.9-172.312.700115.5
469A29Very low31.7Very low105 Ų105135 Ų13587%0.86882%0.819SS**  trans179154.3155.500000110.1
470G26.6Very low31.9Very low73 Ų73132.4 Ų132.475%0.75381%0.811SS**  cis141.187.3-8.700000114.5
471V30.3Very low32.1Very low155 Ų155134 Ų13494%0.93981%0.812SS**  trans-147.1160.6171.5-163.30000109.9
472A28.6Very low31.7Very low87 Ų87132.4 Ų132.472%0.71981%0.809SS**  trans-128.7-169.9-170.700000114.1
473M31.1Very low31.8Very low188 Ų188136.3 Ų136.393%0.92681%0.811SS**  trans76.5151.1177.4-62178.2162.500115.7
474D27.4Very low31.8Very low156 Ų156138.6 Ų138.683%0.83481%0.807SS**  cis-144.6-176.90.5-157.3-166000113.4
475M28Very low31.8Very low156 Ų156138.4 Ų138.477%0.76881%0.805SS**  trans-105152.4-172.2-175.8-176.5170.700114.7
476S30Very low32.5Very low106 Ų106132.6 Ų132.674%0.74179%0.794SS**  trans78.9146.9155.872.90000122.9
477A29.3Very low31.8Very low79 Ų79132.4 Ų132.465%0.65379%0.791SS**  trans62.5124.315500000121
478Y30.9Very low31.5Very low235 Ų235134.2 Ų134.292%0.92279%0.791SS**  -166.7-177.690.7-114.8-83.3000112.9
479H32.2Very low31.7Very low159 Ų159134.8 Ų134.874%0.73679%0.786SS**  trans-134.3122.7-158.6-168.180.6000112.6
480N30.9Very low32.6Very low131 Ų131136 Ų13670%0.70179%0.785SS**  trans81160.3139.6-148.9-9000121.7
481V32.4Very low33Very low118 Ų118138.9 Ų138.972%0.71579%0.788SS**  trans7389163.2-159.60000121.4
482A32.9Very low33Very low96 Ų96136.4 Ų136.479%0.79378%0.784SS**  40.2150.4122.700000124.6
483N29.6Very low33.2Very low164 Ų164136.6 Ų136.688%0.87779%0.785SS**  trans-141.7147.7142.4-164.629.2000111.5
484M34.5Very low34.4Very low147 Ų147132.9 Ų132.972%0.72478%0.775SS**  trans-134.5162-178.1-122-137.4-166.100109.1P486M484-P486 HydrophobicContact SD-CG 3.95Å
485P41.1Very low35.6Very low122 Ų122131.1 Ų131.179%0.79277%0.772SS**  -154.3-178.277.138.6-16.3000116.8
486P48.2Very low36Very low98 Ų98132.1 Ų132.164%0.63678%0.775SS**  trans-128.4-157.9-169.539.1-20.1000115.6M484M484-P486 HydrophobicContact SD-CG 3.95Å
487V33.5Very low36.1Very low126 Ų126136.5 Ų136.576%0.76478%0.783SS**  trans106.3116.3158.4-174.10000118.8
488S25.5Very low36.2Very low115 Ų115137 Ų13780%0.80479%0.788SS**  -175.1149.6125.229.80000113
489Y34.1Very low37.7Very low215 Ų215131.5 Ų131.584%0.84378%0.78SS**  trans-117.4174.1174.2-70.5-92.3000110.1
490P46.6Very low38.5Very low129 Ų129130 Ų13084%0.83879%0.785SS**  -144.6173.29638.1-22.5000115.9
491V35.8Very low38.8Very low135 Ų135128.4 Ų128.482%0.81879%0.79SS**  trans-119.4152.3177.9173.80000109.8
492A29.4Very low38.8Very low103 Ų103132.3 Ų132.385%0.85180%0.8SS**  trans-145143.117300000113.7
493A32.8Very low39Very low91 Ų91136.2 Ų136.275%0.75280%0.802SS**  trans-169.8-179.4-17800000109.1
494P56.6Low39.4Very low110 Ų110137.9 Ų137.971%0.71481%0.805SS**  cis-104-95.1-10.617.56.2000112.5
495P52.7Low39.6Very low119 Ų119139.4 Ų139.477%0.77381%0.81SS**  cis-107.8-156.22.843.9-34.7000113.8
496H37.4Very low40.1Very low177 Ų177139.4 Ų139.482%0.81981%0.81SS**  trans-140.2153.1178.6-92.7-83.3000112.7
497Q31Very low40.1Very low198 Ų198140.4 Ų140.493%0.92582%0.817SS**  trans-146.5157.3148.9-80.9-164.4-12.600110.7
498A32.9Very low40.1Very low90 Ų90139.1 Ų139.174%0.74482%0.819SS**  trans-169.7-176.6-176.400000109.5
499P60.7Low40.8Very low118 Ų118138.1 Ų138.177%0.76682%0.818SS**  cis-112.5-154.2-47.832.8-13.3000109.4
500P50.2Low40.9Very low127 Ų127137.4 Ų137.483%0.82582%0.815SS**  -143.5-177.877.137.4-17.9000114.3
501A36.6Very low40.5Very low98 Ų98139.9 Ų139.981%0.8181%0.809SS**  trans-113.5165.9-175.400000113.5
502Q33.3Very low40.5Very low200 Ų200141.4 Ų141.494%0.93581%0.807SS**  trans-142.7153.3158.9-117.1177.711.700111.5
503Q37.5Very low41Very low179 Ų179144.7 Ų144.784%0.83681%0.805SS**  trans-105.4154.5-171.5-57.3152.8-51.300111.2
504Q36.2Very low42Very low199 Ų199145.2 Ų145.293%0.9380%0.801SS**  -163169.3129.3-110.5155.467.600113.7
505Q39.3Very low41.3Very low179 Ų179147.3 Ų147.384%0.83681%0.805SS**  trans-104.8163.9-162.6-71.8168.3-81.600113.2
506P52Low40.8Very low121 Ų121153.1 Ų153.179%0.78683%0.828SS**  trans-87.7153.3175.935.4-35.8000113.7
507P47.3Very low41Very low120 Ų120152 Ų15278%0.77983%0.829SS**  trans-99.4125.3143.831.4-21.2000109.4
508A34.4Very low41.5Very low99 Ų99149.5 Ų149.582%0.81882%0.824SS**  80.4119.769.100000112.9
509A39.5Very low42Very low94 Ų94152.8 Ų152.878%0.77783%0.828SS**  trans-90.4152-179.700000112.2
510Y37.2Very low40.9Very low199 Ų199154.9 Ų154.978%0.7883%0.832SS**  trans-165.8135.7162-102.3-54.1000112.7
511Y38.1Very low40.3Very low182 Ų182156.6 Ų156.671%0.71483%0.832SS**  trans56.3148.5155.4-66.2-61.4000119.5
512Q35.5Very low40.6Very low166 Ų166160.5 Ų160.578%0.77683%0.834SS**  cis-162.2164-26.4-150.9169.61400108.5
513Q39.3Very low41.1Very low173 Ų173157.7 Ų157.781%0.80883%0.827SS**  trans-67.5164.6153.6-76.2-171.212.500109.8
514P54.7Low41.4Very low102 Ų102156.1 Ų156.166%0.66283%0.826SS**  cis-150.4-170.430.444.1-23.1000117.8
515L41.7Very low41.8Very low154 Ų154152.5 Ų152.581%0.80682%0.817SS**  trans52.5105.2147.5-75158.6000119.4
516L43.1Very low42.1Very low241 Ų241150.1 Ų150.1100%1.26282%0.815SS**  -156.4090.1-109.6164000111.5

Retrieved 516 of 516 residues in 140 ms (Link to these results)

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