A0A5K4F856_SCHMA Loading...

Serine/arginine repetitive matrix protein 2 AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F856, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 723 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
1M52.9Low74.2Confident235 Ų235125.9 Ų125.9100%1.15871%0.713SS**  0150.20-62.170.1155.600108.4D3M1-D3 PolarHBondContact O-N 2.91Å
2T58.3Low75Confident144 Ų144121.8 Ų121.888%0.88371%0.707SS**  trans-79.5111.6163.644.20000108.4
3D59Low75.7Confident155 Ų155127.1 Ų127.183%0.82972%0.721SS**PPolyproline II helixtrans-64.8152.2-174.1-162.98.9000112.5M1 G5M1-D3 PolarHBondContact O-N 2.91Å; D3-G5 PolarHBondContact O-N 2.61Å
4A77.2Confident76.3Confident86 Ų86127 Ų12771%0.71171%0.711SS**PPolyproline II helixtrans-67.3132.1-17700000110.6F6A4-F6 PolarHBondContact O-N 3.08Å; A4-F6 VanDerWaalsContact O-N 3.12Å
5G77Confident76.7Confident64 Ų64119.5 Ų119.566%0.6667%0.669SS**PPolyproline II helixtrans-56.2119-173.100000112.9D3 F7 K8D3-G5 PolarHBondContact O-N 2.61Å; G5-F7 CarbonylContact O-C 3.51Å; G5-F7 PolarHBondContact O-N 3.17Å; G5-K8 PolarHBondContact O-N 3.22Å
6F78.1Confident77.3Confident183 Ų183118.6 Ų118.680%0.80368%0.681SS**SBendtrans-38.4-37.3-176.5177.4-98.5000115.2A4 K8A4-F6 PolarHBondContact O-N 3.08Å; A4-F6 VanDerWaalsContact O-N 3.12Å; F6-K8 VanDerWaalsContact C-N 3.3Å; F6-K8 PolarHBondContact O-N 3.3Å
7F75.8Confident77.8Confident188 Ų188123.1 Ų123.183%0.82569%0.685SS**  trans-82.763.2175-65.4-72.5000113.4G5 G9G5-F7 CarbonylContact O-C 3.51Å; G5-F7 PolarHBondContact O-N 3.17Å; F7-G9 PolarHBondContact O-N 3.05Å; F7-G9 VanDerWaalsContact O-N 3.09Å
8K81.9Confident78Confident156 Ų156124.2 Ų124.268%0.67868%0.681SS**  trans-66.8-1.1170.868.388.5-172.6152.40114.9G5 F6G5-K8 PolarHBondContact O-N 3.22Å; F6-K8 VanDerWaalsContact C-N 3.3Å; F6-K8 PolarHBondContact O-N 3.3Å
9G84.6Confident78.3Confident46 Ų46122.2 Ų122.247%0.47468%0.683SS.*  trans92.3149.3-174.600000113.6F7F7-G9 PolarHBondContact O-N 3.05Å; F7-G9 VanDerWaalsContact O-N 3.09Å
10T86.2Confident78.6Confident85 Ų85119.9 Ų119.952%0.52167%0.669SS.*  trans-74.6136174.643.10000110.7Q14T10-Q14 HydrophobicContact CG2-CB 4.36Å
11S85.2Confident78.9Confident43 Ų43122.3 Ų122.330%0.30167%0.673SS.*  trans-67.8165166.966.40000110.7E13 Q14 D15S11-E13 PolarHBondContact O-N 3.45Å; S11-Q14 PolarHBondContact O-N 3.19Å; S11-Q14 VanDerWaalsContact O-N 3.07Å; S11-Q14 VanDerWaalsContact OG-CG 3.24Å; S11-Q14 WeakPolarHBondContact OG-CG 3.17Å; S11-Q14 PolarHBondContact OG-N 2.96Å; S11-Q14 PolarHBondContact OG-OE1 2.83Å; S11-D15 PolarHBondContact O-N 2.74Å
12A84.2Confident80.3Confident77 Ų77115.8 Ų115.864%0.63664%0.638SS**THydrogen-bonded Turntrans-59.2-36.7176.400000112.3Q14 D15A12-Q14 VanDerWaalsContact C-N 3.35Å; A12-D15 PolarHBondContact O-N 3.07Å
13E83.4Confident81.5Confident190 Ų190115.1 Ų115.189%0.88862%0.623SS**THydrogen-bonded Turntrans-66.9-32.8174.6-175.2174-146.700113S11 D15S11-E13 PolarHBondContact O-N 3.45Å; E13-D15 VanDerWaalsContact C-N 3.33Å
14Q84.6Confident82.8Confident126 Ų126114.5 Ų114.559%0.58961%0.612SS**THydrogen-bonded Turntrans-78.4-12.7175.7-72.2170.1-22.100113.5T10 S11 A12T10-Q14 HydrophobicContact CG2-CB 4.36Å; S11-Q14 PolarHBondContact O-N 3.19Å; S11-Q14 VanDerWaalsContact O-N 3.07Å; S11-Q14 VanDerWaalsContact OG-CG 3.24Å; S11-Q14 WeakPolarHBondContact OG-CG 3.17Å; S11-Q14 PolarHBondContact OG-N 2.96Å; S11-Q14 PolarHBondContact OG-OE1 2.83Å; A12-Q14 VanDerWaalsContact C-N 3.35Å
15D82.6Confident83.1Confident15 Ų15113.5 Ų113.58%0.0860%0.595CS.*  trans-128.577.3-172.5-165.4-3.9000113.9S11 A12 E13 R17 F18S11-D15 PolarHBondContact O-N 2.74Å; A12-D15 PolarHBondContact O-N 3.07Å; E13-D15 VanDerWaalsContact C-N 3.33Å; D15-R17 PolarHBondContact O-N 2.7Å; D15-R17 WeakPolarHBondContact OD1-CB 3.4Å; D15-R17 VanDerWaalsContact OD1-CG 3.23Å; D15-R17 WeakPolarHBondContact OD1-CG 3.31Å; D15-R17 IonicContact OD1-CZ 3.99Å; D15-R17 PolarHBondContact OD1-N 3.14Å; D15-R17 VanDerWaalsContact OD1-N 3.17Å; D15-R17 IonicContact OD1-NE 2.66Å; D15-R17 PolarHBondContact OD1-NE 3.08Å; D15-R17 IonicContact OD1-NH2 3.21Å; D15-R17 IonicContact OD2-CZ 2.76Å; D15-R17 IonicContact OD2-NE 2.95Å; D15-R17 PolarHBondContact OD2-NE 3.29Å; D15-R17 IonicContact OD2-NH2 2.79Å; D15-R17 PolarHBondContact OD2-NH2 3.5Å; D15-F18 HydrophobicContact CB-CD2 4.43Å; D15-F18 PolarHBondContact O-N 3.18Å; D15-F18 VanDerWaalsContact O-N 3.08Å; D15-F18 WeakPolarHBondContact OD2-CD2 3.44Å; D15-F18 VanDerWaalsContact OD2-CE2 3.31Å; D15-F18 WeakPolarHBondContact OD2-CE2 3.46Å
16A85.6Confident83.4Confident105 Ų105113.5 Ų113.587%0.86858%0.578SS**THydrogen-bonded Turntrans-58.6-1.9175.100000115.5F18A16-F18 VanDerWaalsContact C-N 3.26Å
17R85.7Confident83.6Confident195 Ų195113.3 Ų113.374%0.73658%0.577SS**THydrogen-bonded Turntrans-71.1-22.3170.5-57.9175.4-65.7-165.80.6112.2D15D15-R17 PolarHBondContact O-N 2.7Å; D15-R17 WeakPolarHBondContact OD1-CB 3.4Å; D15-R17 VanDerWaalsContact OD1-CG 3.23Å; D15-R17 WeakPolarHBondContact OD1-CG 3.31Å; D15-R17 IonicContact OD1-CZ 3.99Å; D15-R17 PolarHBondContact OD1-N 3.14Å; D15-R17 VanDerWaalsContact OD1-N 3.17Å; D15-R17 IonicContact OD1-NE 2.66Å; D15-R17 PolarHBondContact OD1-NE 3.08Å; D15-R17 IonicContact OD1-NH2 3.21Å; D15-R17 IonicContact OD2-CZ 2.76Å; D15-R17 IonicContact OD2-NE 2.95Å; D15-R17 PolarHBondContact OD2-NE 3.29Å; D15-R17 IonicContact OD2-NH2 2.79Å; D15-R17 PolarHBondContact OD2-NH2 3.5Å
18F81.3Confident84Confident143 Ų143108.8 Ų108.863%0.62757%0.565SS**SBendtrans-109.8114.3-179.6-63.7-77000111.2D15 A16D15-F18 HydrophobicContact CB-CD2 4.43Å; D15-F18 PolarHBondContact O-N 3.18Å; D15-F18 VanDerWaalsContact O-N 3.08Å; D15-F18 WeakPolarHBondContact OD2-CD2 3.44Å; D15-F18 VanDerWaalsContact OD2-CE2 3.31Å; D15-F18 WeakPolarHBondContact OD2-CE2 3.46Å; A16-F18 VanDerWaalsContact C-N 3.26Å
19A83.2Confident83.9Confident85 Ų85103.3 Ų103.370%0.70254%0.542SS*.  trans-67.1138.8173.600000111.6K21A19-K21 PolarHBondContact O-N 3.38Å
20D85Confident83.6Confident76 Ų76109.4 Ų109.441%0.40656%0.556SS.*  trans-47107.9-179.1-74.7-46.1000113.5K22 K23 K24D20-K22 VanDerWaalsContact C-N 3.32Å; D20-K22 PolarHBondContact O-N 3.14Å; D20-K23 HydrophobicContact CB-CB 3.75Å; D20-K23 HydrophobicContact CB-CD 3.92Å; D20-K23 HydrophobicContact CB-CG 3.78Å; D20-K23 PolarHBondContact O-N 2.84Å; D20-K23 VanDerWaalsContact OD2-CD 3.23Å; D20-K23 WeakPolarHBondContact OD2-CD 3.3Å; D20-K23 WeakPolarHBondContact OD2-CE 3.4Å; D20-K23 IonicContact OD2-NZ 2.7Å; D20-K23 PolarHBondContact OD2-NZ 3.49Å; D20-K24 WeakPolarHBondContact O-CB 3.38Å; D20-K24 PolarHBondContact O-N 3.32Å
21K84.4Confident83.3Confident172 Ų172107.2 Ų107.275%0.74854%0.539SS*.Hα-helixtrans-56.7-45.9178.9-64.4178.7-176.6173.90111.3A19 K24 L25A19-K21 PolarHBondContact O-N 3.38Å; K21-K24 PolarHBondContact O-N 3.15Å; K21-L25 WeakPolarHBondContact O-CG 3.43Å; K21-L25 PolarHBondContact O-N 3.1Å
22K82.7Confident82.9Confident98 Ų98105.5 Ų105.543%0.42653%0.528SS..Hα-helixtrans-56.5-56175.2-175.9172.7174.5174.60111.4D20 K24 L25 M26 E85D20-K22 VanDerWaalsContact C-N 3.32Å; D20-K22 PolarHBondContact O-N 3.14Å; K22-K24 PolarHBondContact O-N 3.31Å; K22-L25 PolarHBondContact O-N 2.88Å; K22-L25 VanDerWaalsContact O-N 3.14Å; K22-M26 HydrophobicContact CG-CG 4.49Å; K22-M26 WeakPolarHBondContact O-CB 3.47Å; K22-M26 WeakPolarHBondContact O-CG 3.46Å; K22-M26 PolarHBondContact O-N 3.47Å; K22-E85 VanDerWaalsContact CE-CD 3.46Å; K22-E85 WeakPolarHBondContact CE-OE1 3.44Å; K22-E85 WeakPolarHBondContact CE-OE2 3.1Å; K22-E85 IonicContact NZ-OE1 2.56Å; K22-E85 PolarHBondContact NZ-OE1 3.2Å; K22-E85 IonicContact NZ-OE2 3.89Å; K22-E85 PolarHBondContact NZ-OE2 3.18Å
23K84.5Confident82.4Confident130 Ų130109 Ų10957%0.56553%0.532SS*.Hα-helixtrans-64.1-23179.4-57.4-178.2-167.1147.80113.6D20 K27D20-K23 HydrophobicContact CB-CB 3.75Å; D20-K23 HydrophobicContact CB-CD 3.92Å; D20-K23 HydrophobicContact CB-CG 3.78Å; D20-K23 PolarHBondContact O-N 2.84Å; D20-K23 VanDerWaalsContact OD2-CD 3.23Å; D20-K23 WeakPolarHBondContact OD2-CD 3.3Å; D20-K23 WeakPolarHBondContact OD2-CE 3.4Å; D20-K23 IonicContact OD2-NZ 2.7Å; D20-K23 PolarHBondContact OD2-NZ 3.49Å; K23-K27 WeakPolarHBondContact O-CG 3.49Å
24K85.2Confident82.1Confident141 Ų141103.1 Ų103.161%0.61351%0.506SS*.Hα-helixtrans-76.9-44.4171.9-174.1-180177.9-176.30112.1D20 K21 K22 K27 T28D20-K24 WeakPolarHBondContact O-CB 3.38Å; D20-K24 PolarHBondContact O-N 3.32Å; K21-K24 PolarHBondContact O-N 3.15Å; K22-K24 PolarHBondContact O-N 3.31Å; K24-K27 PolarHBondContact O-N 3.26Å; K24-K27 VanDerWaalsContact O-N 3.14Å; K24-T28 PolarHBondContact O-N 2.94Å; K24-T28 PolarHBondContact O-OG1 3Å
25L84.2Confident81.7Confident65 Ų6597.3 Ų97.334%0.3448%0.479SS..Hα-helixtrans-63.3-43.4176.2-70165.9000110.8K21 K22 K27 T28 M29 I88K21-L25 WeakPolarHBondContact O-CG 3.43Å; K21-L25 PolarHBondContact O-N 3.1Å; K22-L25 PolarHBondContact O-N 2.88Å; K22-L25 VanDerWaalsContact O-N 3.14Å; L25-K27 PolarHBondContact O-N 3.41Å; L25-T28 WeakPolarHBondContact CA-OG1 3.48Å; L25-T28 PolarHBondContact O-N 2.7Å; L25-M29 HydrophobicContact CB-CG 4.27Å; L25-M29 HydrophobicContact CB-SD 4.17Å; L25-M29 HydrophobicContact CD2-CG 4.11Å; L25-M29 HydrophobicContact CD2-SD 3.92Å; L25-M29 WeakPolarHBondContact O-CB 3.5Å; L25-M29 WeakPolarHBondContact O-CG 3.4Å; L25-M29 PolarHBondContact O-N 2.9Å; L25-I88 HydrophobicContact CB-CD1 3.77Å; L25-I88 HydrophobicContact CB-CG1 4.05Å; L25-I88 HydrophobicContact CD1-CG2 3.84Å
26M82.2Confident81.5Confident65 Ų65100.7 Ų100.732%0.3251%0.509SS..Hα-helixtrans-55.1-15171.7-68.3-70.7-87.900115.2K22 F31 K84 I88K22-M26 HydrophobicContact CG-CG 4.49Å; K22-M26 WeakPolarHBondContact O-CB 3.47Å; K22-M26 WeakPolarHBondContact O-CG 3.46Å; K22-M26 PolarHBondContact O-N 3.47Å; M26-F31 HydrophobicContact SD-CZ 4Å; M26-K84 HydrophobicContact CE-CB 3.78Å; M26-K84 HydrophobicContact CE-CD 4.06Å; M26-K84 HydrophobicContact SD-CB 3.6Å; M26-I88 HydrophobicContact CG-CD1 3.76Å; M26-I88 HydrophobicContact SD-CD1 3.63Å
27K83.2Confident81.2Confident178 Ų178101 Ų10177%0.77449%0.493SS*.Hα-helixtrans-111.9-8.4177.3-67.3177-178.4-175.80114.3K23 K24 L25K23-K27 WeakPolarHBondContact O-CG 3.49Å; K24-K27 PolarHBondContact O-N 3.26Å; K24-K27 VanDerWaalsContact O-N 3.14Å; L25-K27 PolarHBondContact O-N 3.41Å
28T83.2Confident81.2Confident94 Ų94100.6 Ų100.658%0.57750%0.496SS*.Hα-helixtrans-121.5-19.6-173.249.10000113.7K24 L25K24-T28 PolarHBondContact O-N 2.94Å; K24-T28 PolarHBondContact O-OG1 3Å; L25-T28 WeakPolarHBondContact CA-OG1 3.48Å; L25-T28 PolarHBondContact O-N 2.7Å
29M79.9Confident81.3Confident40 Ų4094 Ų9420%0.19747%0.467CS..SBendtrans-84.8152.2176.7-61.1-160.671.500112.1L25 F31 I88 T91L25-M29 HydrophobicContact CB-CG 4.27Å; L25-M29 HydrophobicContact CB-SD 4.17Å; L25-M29 HydrophobicContact CD2-CG 4.11Å; L25-M29 HydrophobicContact CD2-SD 3.92Å; L25-M29 WeakPolarHBondContact O-CB 3.5Å; L25-M29 WeakPolarHBondContact O-CG 3.4Å; L25-M29 PolarHBondContact O-N 2.9Å; M29-F31 HydrophobicContact CB-CE2 4.39Å; M29-F31 HydrophobicContact CB-CZ 4.14Å; M29-I88 HydrophobicContact SD-CG1 3.85Å; M29-T91 HydrophobicContact CE-CG2 3.59Å; M29-T91 WeakPolarHBondContact CE-OG1 3.28Å
30K78.8Confident81.5Confident175 Ų17592.2 Ų92.276%0.76145%0.446SS*.  trans-94.5110.6173.5-67-169.8175.7-167.10109.2Q87K30-Q87 PolarHBondContact O-NE2 3.44Å
31F80.6Confident81.6Confident39 Ų3989.1 Ų89.117%0.17143%0.429CS..  trans-76.1159.4177.7-64-74.6000111.7M26 M29 L35 K84 Q87 R100M26-F31 HydrophobicContact SD-CZ 4Å; M29-F31 HydrophobicContact CB-CE2 4.39Å; M29-F31 HydrophobicContact CB-CZ 4.14Å; F31-L35 HydrophobicContact CB-CD1 4.4Å; F31-L35 HydrophobicContact CD1-CD1 4.5Å; F31-K84 HydrophobicContact CD1-CB 3.87Å; F31-K84 HydrophobicContact CD1-CD 4.38Å; F31-K84 HydrophobicContact CD1-CG 3.65Å; F31-K84 HydrophobicContact CE1-CB 3.52Å; F31-K84 HydrophobicContact CE1-CD 4.49Å; F31-K84 HydrophobicContact CE1-CG 3.82Å; F31-K84 HydrophobicContact CG-CD 4.46Å; F31-K84 HydrophobicContact CG-CG 4.14Å; F31-K84 HydrophobicContact CZ-CB 4.1Å; F31-K84 HydrophobicContact CZ-CG 4.41Å; F31-Q87 VanDerWaalsContact CA-OE1 3.28Å; F31-Q87 HydrophobicContact CD1-CB 4.42Å; F31-Q87 VanDerWaalsContact CD1-OE1 3.29Å; F31-Q87 HydrophobicContact CE1-CB 4.44Å; F31-R100 VanDerWaalsContact O-CZ 3.27Å; F31-R100 PolarHBondContact O-NE 2.97Å; F31-R100 PolarHBondContact O-NH2 3.14Å
32G75.8Confident81.6Confident7 Ų785.1 Ų85.17%0.07242%0.423CS..  trans-64.7149.5159.600000110L35G32-L35 WeakPolarHBondContact O-CB 3.27Å
33E75.2Confident81.6Confident150 Ų15085.9 Ų85.970%0.70143%0.426SS*.SBendtrans-70.7-35.9-179.7-77.3127.3-111.100111.7L35 A36 R100E33-L35 PolarHBondContact O-N 3.38Å; E33-L35 VanDerWaalsContact O-N 3.13Å; E33-A36 PolarHBondContact O-N 3.16Å; E33-R100 IonicContact OE1-CZ 2.74Å; E33-R100 IonicContact OE1-NH2 3.62Å; E33-R100 PolarHBondContact OE1-NH2 3.42Å
34N76.3Confident81.7Confident66 Ų6680.4 Ų80.435%0.35340%0.403SS..G310 helixtrans-68-14.9-179.1-46.5-13.2000112.4A36 Q37 D108N34-A36 PolarHBondContact O-N 2.99Å; N34-Q37 PolarHBondContact O-N 3.38Å; N34-D108 VanDerWaalsContact CB-OD1 3.28Å; N34-D108 WeakPolarHBondContact CB-OD1 3.11Å; N34-D108 VanDerWaalsContact CG-OD1 3.28Å; N34-D108 PolarHBondContact ND2-OD1 2.98Å; N34-D108 PolarHBondContact ND2-OD2 3.14Å
35L76.8Confident81.8Confident5 Ų577.4 Ų77.43%0.02639%0.394CS..G310 helixtrans-75.213.4178-48.1-171000113.9F31 G32 E33 P83 Q87 L103 W107F31-L35 HydrophobicContact CB-CD1 4.4Å; F31-L35 HydrophobicContact CD1-CD1 4.5Å; G32-L35 WeakPolarHBondContact O-CB 3.27Å; E33-L35 PolarHBondContact O-N 3.38Å; E33-L35 VanDerWaalsContact O-N 3.13Å; L35-P83 HydrophobicContact CB-CB 4.02Å; L35-P83 HydrophobicContact CB-CG 4.14Å; L35-P83 HydrophobicContact CD1-CB 4.4Å; L35-P83 HydrophobicContact CD2-CB 4.02Å; L35-P83 HydrophobicContact CG-CB 4.34Å; L35-Q87 VanDerWaalsContact CD1-OE1 3.26Å; L35-L103 HydrophobicContact CD1-CD2 4Å; L35-L103 HydrophobicContact CD2-CD2 3.45Å; L35-L103 VanDerWaalsContact CD2-CD2 3.45Å; L35-L103 HydrophobicContact CG-CD2 4.39Å; L35-W107 HydrophobicContact CD2-CB 3.74Å; L35-W107 HydrophobicContact CD2-CD2 4.08Å; L35-W107 HydrophobicContact CD2-CG 3.65Å
36A76.7Confident81.9Confident85 Ų8575.9 Ų75.970%0.70239%0.386SS*.G310 helixtrans-86-25166.300000112.4E33 N34E33-A36 PolarHBondContact O-N 3.16Å; N34-A36 PolarHBondContact O-N 2.99Å
37Q80.6Confident82Confident113 Ų11378.1 Ų78.153%0.52840%0.395SS..SBendtrans-87.4131.2-175.1-159.3167.5-4.500110.5N34 W107 L111N34-Q37 PolarHBondContact O-N 3.38Å; Q37-W107 PolarHBondContact O-NE1 3.38Å; Q37-L111 HydrophobicContact CB-CD1 4.14Å; Q37-L111 HydrophobicContact CB-CD2 4.03Å; Q37-L111 HydrophobicContact CG-CD1 4.42Å; Q37-L111 HydrophobicContact CG-CD2 3.63Å
38K84.7Confident82.2Confident186 Ų18670.7 Ų70.781%0.80937%0.366SS*.  trans-81.1151178.5-66-172.5176.1-171.50110.8
39V85.1Confident82.4Confident4 Ų466.3 Ų66.32%0.02434%0.339CS..  trans-130.8137.5178.4-163.60000109.4M41 I44 W107 L110 L111 M114V39-M41 HydrophobicContact CB-CE 3.61Å; V39-M41 HydrophobicContact CG1-CE 3.4Å; V39-I44 HydrophobicContact CG1-CD1 3.39Å; V39-W107 HydrophobicContact CB-CZ2 4.34Å; V39-W107 HydrophobicContact CG2-CD2 4.36Å; V39-W107 HydrophobicContact CG2-CH2 4.5Å; V39-W107 HydrophobicContact CG2-CZ2 3.67Å; V39-L110 HydrophobicContact CG1-CB 4.27Å; V39-L111 HydrophobicContact CG2-CD2 3.83Å; V39-L111 HydrophobicContact CG2-CG 4.19Å; V39-M114 HydrophobicContact CG1-CB 4.46Å; V39-M114 HydrophobicContact CG1-SD 3.94Å
40D87.2Confident82.8Confident47 Ų4768.6 Ų68.625%0.25135%0.345SS..  trans-99.1111.3174.2-61.7-38.5000109.5S42 K43 H80 M114D40-S42 PolarHBondContact O-N 2.91Å; D40-S42 VanDerWaalsContact O-N 3.16Å; D40-K43 HydrophobicContact CB-CD 4.15Å; D40-K43 HydrophobicContact CB-CG 4.39Å; D40-K43 PolarHBondContact O-N 2.83Å; D40-K43 VanDerWaalsContact O-N 3.14Å; D40-K43 IonicContact OD2-NZ 3.09Å; D40-K43 PolarHBondContact OD2-NZ 2.72Å; D40-H80 IonicContact OD1-CE1 3.95Å; D40-H80 PolarHBondContact OD1-CE1 3.34Å; D40-H80 IonicContact OD1-ND1 3.44Å; D40-H80 PolarHBondContact OD1-ND1 3.37Å; D40-H80 VanDerWaalsContact OD1-ND1 3.1Å; D40-M114 HydrophobicContact CB-SD 4.49Å
41M86Confident83.4Confident12 Ų1264.2 Ų64.26%0.05934%0.335CS..G310 helixtrans-63.6-24.8-178.9-62-62.7103.600112.3V39 K43 I44 L46 L76 E78 R79 P81 L110V39-M41 HydrophobicContact CB-CE 3.61Å; V39-M41 HydrophobicContact CG1-CE 3.4Å; M41-K43 PolarHBondContact O-N 3.47Å; M41-I44 HydrophobicContact CE-CD1 4.04Å; M41-I44 PolarHBondContact O-N 2.93Å; M41-L46 HydrophobicContact SD-CD2 3.95Å; M41-L76 WeakPolarHBondContact CG-O 3.16Å; M41-L76 HydrophobicContact SD-CD2 4.39Å; M41-E78 VanDerWaalsContact CG-O 3.3Å; M41-E78 WeakPolarHBondContact CG-O 3.43Å; M41-R79 PolarHBondContact N-O 3.5Å; M41-R79 VanDerWaalsContact N-O 3.1Å; M41-P81 HydrophobicContact CE-CG 3.83Å; M41-P81 HydrophobicContact CG-CG 3.8Å; M41-P81 HydrophobicContact SD-CG 3.91Å; M41-L110 HydrophobicContact CE-CD1 4.48Å
42S83.8Confident83.9Confident87 Ų8764.9 Ų64.961%0.60834%0.336SS*.G310 helixtrans-62.5-6.1175.3-49.50000115.2D40D40-S42 PolarHBondContact O-N 2.91Å; D40-S42 VanDerWaalsContact O-N 3.16Å
43K83.3Confident84.7Confident114 Ų11464.7 Ų64.750%0.49633%0.334SS..G310 helixtrans-110.33.8176.6-63.7172-177.4153.20113.1D40 M41 M114 G119D40-K43 HydrophobicContact CB-CD 4.15Å; D40-K43 HydrophobicContact CB-CG 4.39Å; D40-K43 PolarHBondContact O-N 2.83Å; D40-K43 VanDerWaalsContact O-N 3.14Å; D40-K43 IonicContact OD2-NZ 3.09Å; D40-K43 PolarHBondContact OD2-NZ 2.72Å; M41-K43 PolarHBondContact O-N 3.47Å; K43-M114 HydrophobicContact CB-CG 4.35Å; K43-M114 HydrophobicContact CD-CG 3.9Å; K43-M114 HydrophobicContact CD-SD 4.46Å; K43-G119 WeakPolarHBondContact O-CA 3.46Å
44I86.7Confident85.5Confident16 Ų1659.5 Ų59.58%0.08231%0.312CS..SBendtrans-125.5133.4-168.8-61.5-179.6000110.1V39 M41 L46 L110 A113 M114V39-I44 HydrophobicContact CG1-CD1 3.39Å; M41-I44 HydrophobicContact CE-CD1 4.04Å; M41-I44 PolarHBondContact O-N 2.93Å; I44-L46 HydrophobicContact CG2-CD2 4.37Å; I44-L46 PolarHBondContact O-N 3.26Å; I44-L46 VanDerWaalsContact O-N 3.12Å; I44-L110 HydrophobicContact CD1-CB 4.06Å; I44-L110 HydrophobicContact CD1-CD2 3.81Å; I44-L110 VanDerWaalsContact CD1-O 3.3Å; I44-L110 WeakPolarHBondContact CD1-O 3.34Å; I44-L110 HydrophobicContact CG2-CD2 3.92Å; I44-A113 HydrophobicContact CB-CB 4.47Å; I44-A113 HydrophobicContact CD1-CB 4.16Å; I44-A113 HydrophobicContact CG1-CB 3.95Å; I44-A113 HydrophobicContact CG2-CB 3.94Å; I44-M114 HydrophobicContact CD1-CB 4.33Å; I44-M114 HydrophobicContact CG1-CB 4.47Å
45N86.7Confident86.2Confident77 Ų7762.6 Ų62.641%0.41232%0.322SS..  trans-8188.8173-175.1-8.1000110E47 S48 G119 V120N45-E47 PolarHBondContact O-N 2.92Å; N45-E47 VanDerWaalsContact O-N 3.17Å; N45-E47 PolarHBondContact OD1-N 3.42Å; N45-S48 WeakPolarHBondContact O-CB 3.31Å; N45-S48 PolarHBondContact O-N 2.98Å; N45-S48 PolarHBondContact O-OG 3.42Å; N45-G119 PolarHBondContact N-O 3.45Å; N45-V120 HydrophobicContact CB-CG2 4.35Å
46L86.1Confident87Confident34 Ų3465.1 Ų65.118%0.17833%0.332CS..Hα-helixtrans-55.3-31.3-178.5-65.1179.7000113.5M41 I44 S48 M49 R50 F73 L76M41-L46 HydrophobicContact SD-CD2 3.95Å; I44-L46 HydrophobicContact CG2-CD2 4.37Å; I44-L46 PolarHBondContact O-N 3.26Å; I44-L46 VanDerWaalsContact O-N 3.12Å; L46-S48 PolarHBondContact O-N 3.16Å; L46-M49 WeakPolarHBondContact O-CB 3.48Å; L46-M49 PolarHBondContact O-N 2.81Å; L46-R50 PolarHBondContact O-N 3.27Å; L46-F73 HydrophobicContact CB-CE2 4.23Å; L46-F73 HydrophobicContact CB-CZ 4.41Å; L46-L76 HydrophobicContact CD2-CB 4.28Å
47E86.3Confident87.7Confident112 Ų11261.1 Ų61.152%0.52330%0.298SS..Hα-helixtrans-67.2-27.5179.2-170.155.7-157.300112.2N45 M49 R50 P51N45-E47 PolarHBondContact O-N 2.92Å; N45-E47 VanDerWaalsContact O-N 3.17Å; N45-E47 PolarHBondContact OD1-N 3.42Å; E47-M49 PolarHBondContact O-N 2.77Å; E47-R50 WeakPolarHBondContact OE1-CD 3.16Å; E47-R50 IonicContact OE2-NE 2.71Å; E47-R50 PolarHBondContact OE2-NE 3.04Å; E47-P51 WeakPolarHBondContact O-CD 3.32Å
48S85.9Confident88.2Confident22 Ų2257.8 Ų57.815%0.15429%0.286CS..Hα-helixtrans-66.8-25.8171.375.50000113N45 L46 F124N45-S48 WeakPolarHBondContact O-CB 3.31Å; N45-S48 PolarHBondContact O-N 2.98Å; N45-S48 PolarHBondContact O-OG 3.42Å; L46-S48 PolarHBondContact O-N 3.16Å; S48-F124 WeakPolarHBondContact O-CE2 3.4Å
49M87.8Confident88.6Confident1 Ų152.9 Ų52.91%0.00527%0.266CS..Hα-helixtrans-82.8-32.2-177.8-55.8-66.9-66.900112.5L46 E47 W52 I53 L106 L109 L110 P121 F124L46-M49 WeakPolarHBondContact O-CB 3.48Å; L46-M49 PolarHBondContact O-N 2.81Å; E47-M49 PolarHBondContact O-N 2.77Å; M49-W52 PolarHBondContact O-N 2.95Å; M49-I53 HydrophobicContact CB-CD1 3.99Å; M49-I53 WeakPolarHBondContact O-CG1 3.39Å; M49-I53 PolarHBondContact O-N 3.03Å; M49-L106 HydrophobicContact CE-CD1 3.53Å; M49-L109 HydrophobicContact CE-CB 4.13Å; M49-L109 HydrophobicContact CE-CD2 3.7Å; M49-L109 HydrophobicContact CE-CG 3.87Å; M49-L109 HydrophobicContact SD-CD2 4.3Å; M49-L109 HydrophobicContact SD-CG 4.29Å; M49-L110 HydrophobicContact CE-CD2 3.74Å; M49-L110 HydrophobicContact CE-CG 3.9Å; M49-L110 HydrophobicContact CG-CD2 4.31Å; M49-L110 HydrophobicContact SD-CD2 4.31Å; M49-P121 HydrophobicContact SD-CG 3.47Å; M49-P121 WeakPolarHBondContact SD-CG 3.27Å; M49-F124 HydrophobicContact SD-CE2 3.83Å; M49-F124 HydrophobicContact SD-CZ 4.3Å
50R89.1Confident88.8Confident88 Ų8854.1 Ų54.133%0.33227%0.272SS..Hα-helixtrans-43.5-55.1-179.8178.1177.6-82.8-94.5-11.1113.7L46 E47 W52 I53 V54 D70 F73L46-R50 PolarHBondContact O-N 3.27Å; E47-R50 WeakPolarHBondContact OE1-CD 3.16Å; E47-R50 IonicContact OE2-NE 2.71Å; E47-R50 PolarHBondContact OE2-NE 3.04Å; R50-W52 VanDerWaalsContact C-N 3.34Å; R50-W52 PolarHBondContact O-N 2.85Å; R50-I53 PolarHBondContact O-N 2.87Å; R50-V54 WeakPolarHBondContact O-CG2 3.45Å; R50-V54 PolarHBondContact O-N 3.04Å; R50-D70 IonicContact NH1-OD1 3.27Å; R50-D70 IonicContact NH2-OD1 3.52Å; R50-F73 HydrophobicContact CB-CE2 4.49Å
51P89.9Confident88.8Confident84 Ų8453.4 Ų53.455%0.54527%0.268SS..Hα-helixtrans-66.2-31-178.725.5-35.5000114.1E47 K55E47-P51 WeakPolarHBondContact O-CD 3.32Å; P51-K55 WeakPolarHBondContact O-CB 3.45Å; P51-K55 PolarHBondContact O-N 3.39Å; P51-K55 VanDerWaalsContact O-N 3.13Å
52W91.6Very high88.8Confident52 Ų5259.7 Ų59.720%0.19730%0.302CS..Hα-helixtrans-73.7-40.8175.9179.494.4000111.6M49 R50 K55 R56 F102 E105 L106 L109 F124M49-W52 PolarHBondContact O-N 2.95Å; R50-W52 VanDerWaalsContact C-N 3.34Å; R50-W52 PolarHBondContact O-N 2.85Å; W52-K55 PolarHBondContact O-N 2.84Å; W52-R56 HydrophobicContact CH2-CB 4.42Å; W52-R56 HydrophobicContact CH2-CG 4.15Å; W52-R56 HydrophobicContact CZ2-CB 4.43Å; W52-R56 HydrophobicContact CZ2-CG 4.16Å; W52-R56 HydrophobicContact CZ3-CB 4.47Å; W52-R56 VanDerWaalsContact O-CB 3.28Å; W52-R56 WeakPolarHBondContact O-CB 3.33Å; W52-R56 PolarHBondContact O-N 3.5Å; W52-F102 HydrophobicContact CZ3-CE2 4.18Å; W52-E105 HydrophobicContact CH2-CB 3.94Å; W52-E105 HydrophobicContact CZ2-CB 3.96Å; W52-L106 HydrophobicContact CE3-CD1 4.4Å; W52-L106 HydrophobicContact CH2-CB 4.04Å; W52-L106 HydrophobicContact CZ3-CB 3.86Å; W52-L106 HydrophobicContact CZ3-CD1 3.88Å; W52-L106 HydrophobicContact CZ3-CG 4.43Å; W52-L109 HydrophobicContact CD2-CD2 3.54Å; W52-L109 HydrophobicContact CE3-CD2 3.92Å; W52-L109 HydrophobicContact CG-CD2 3.89Å; W52-L109 HydrophobicContact CH2-CD2 4.45Å; W52-L109 HydrophobicContact CZ2-CD2 4.09Å; W52-L109 HydrophobicContact CZ3-CD2 4.37Å; W52-F124 HydrophobicContact CB-CE1 3.82Å; W52-F124 HydrophobicContact CB-CZ 3.47Å; W52-F124 VanDerWaalsContact CB-CZ 3.47Å; W52-F124 AromaticContact CD1-CE1 3.74Å; W52-F124 AromaticContact CG-CE1 3.92Å; W52-F124 HydrophobicContact CG-CE1 3.92Å; W52-F124 AromaticContact CG-CZ 3.84Å; W52-F124 HydrophobicContact CG-CZ 3.84Å
53I91.7Very high89.1Confident4 Ų461 Ų612%0.02130%0.297CS..Hα-helixtrans-58.5-51.4176-71.6171.3000109.7M49 R50 R56 I57 I72 L76 F102 L106M49-I53 HydrophobicContact CB-CD1 3.99Å; M49-I53 WeakPolarHBondContact O-CG1 3.39Å; M49-I53 PolarHBondContact O-N 3.03Å; R50-I53 PolarHBondContact O-N 2.87Å; I53-R56 PolarHBondContact O-N 3.15Å; I53-I57 HydrophobicContact CG2-CD1 3.53Å; I53-I57 HydrophobicContact CG2-CG1 4.49Å; I53-I57 WeakPolarHBondContact O-CB 3.21Å; I53-I57 WeakPolarHBondContact O-CD1 3.37Å; I53-I57 VanDerWaalsContact O-CG1 3.25Å; I53-I57 WeakPolarHBondContact O-CG1 3.42Å; I53-I57 PolarHBondContact O-N 3.44Å; I53-I72 HydrophobicContact CD1-CG2 4.48Å; I53-I72 HydrophobicContact CG2-CG2 4.05Å; I53-L76 HydrophobicContact CD1-CD1 3.87Å; I53-F102 HydrophobicContact CG2-CZ 4.36Å; I53-L106 HydrophobicContact CD1-CD1 4.3Å; I53-L106 HydrophobicContact CG1-CD1 4.26Å
54V92.8Very high89.3Confident40 Ų4061.7 Ų61.724%0.24230%0.302CS..Hα-helixtrans-57.2-53.9177.1173.80000111R50 R56 I57 T58 E64 C69R50-V54 WeakPolarHBondContact O-CG2 3.45Å; R50-V54 PolarHBondContact O-N 3.04Å; V54-R56 VanDerWaalsContact C-N 3.31Å; V54-R56 PolarHBondContact O-N 3.27Å; V54-I57 PolarHBondContact O-N 2.9Å; V54-T58 PolarHBondContact O-N 2.82Å; V54-T58 PolarHBondContact O-OG1 3.42Å; V54-E64 VanDerWaalsContact CG1-OE1 3.28Å; V54-E64 WeakPolarHBondContact CG1-OE1 3.23Å; V54-C69 HydrophobicContact CG2-CB 4.24Å
55K92.2Very high89.4Confident131 Ų13162.9 Ų62.957%0.5731%0.308SS*.Hα-helixtrans-53.7-47.5178.6179.1179173.9-178.50111.9P51 W52 T58 E59P51-K55 WeakPolarHBondContact O-CB 3.45Å; P51-K55 PolarHBondContact O-N 3.39Å; P51-K55 VanDerWaalsContact O-N 3.13Å; W52-K55 PolarHBondContact O-N 2.84Å; K55-T58 PolarHBondContact O-N 2.9Å; K55-E59 WeakPolarHBondContact CE-OE1 3.32Å; K55-E59 WeakPolarHBondContact O-CG 3.32Å; K55-E59 PolarHBondContact O-N 2.84Å
56R91.8Very high89.7Confident59 Ų5966.4 Ų66.422%0.22332%0.322CS..Hα-helixtrans-73.9-30.4-174.4-165.159.5169.9161.6-2.6112.8W52 I53 V54 E59 L60 F102 E105W52-R56 HydrophobicContact CH2-CB 4.42Å; W52-R56 HydrophobicContact CH2-CG 4.15Å; W52-R56 HydrophobicContact CZ2-CB 4.43Å; W52-R56 HydrophobicContact CZ2-CG 4.16Å; W52-R56 HydrophobicContact CZ3-CB 4.47Å; W52-R56 VanDerWaalsContact O-CB 3.28Å; W52-R56 WeakPolarHBondContact O-CB 3.33Å; W52-R56 PolarHBondContact O-N 3.5Å; I53-R56 PolarHBondContact O-N 3.15Å; V54-R56 VanDerWaalsContact C-N 3.31Å; V54-R56 PolarHBondContact O-N 3.27Å; R56-E59 VanDerWaalsContact CD-OE2 3.26Å; R56-E59 WeakPolarHBondContact CD-OE2 3.25Å; R56-E59 IonicContact CZ-OE2 3.1Å; R56-E59 IonicContact NE-OE2 3.4Å; R56-E59 IonicContact NH1-OE2 2.68Å; R56-E59 PolarHBondContact NH1-OE2 2.85Å; R56-L60 HydrophobicContact CG-CD1 4.31Å; R56-L60 WeakPolarHBondContact O-CB 3.47Å; R56-L60 WeakPolarHBondContact O-CD1 3.37Å; R56-L60 WeakPolarHBondContact O-CG 3.4Å; R56-L60 PolarHBondContact O-N 3.2Å; R56-F102 HydrophobicContact CB-CD2 4.28Å; R56-F102 HydrophobicContact CB-CE2 4.13Å; R56-F102 HydrophobicContact CG-CD2 3.84Å; R56-F102 HydrophobicContact CG-CE2 4.19Å; R56-E105 IonicContact CZ-OE1 3.52Å; R56-E105 IonicContact CZ-OE2 3.71Å; R56-E105 VanDerWaalsContact CZ-OE2 3.22Å; R56-E105 IonicContact NE-OE2 2.67Å; R56-E105 PolarHBondContact NE-OE2 3.37Å; R56-E105 IonicContact NH2-OE1 2.69Å; R56-E105 PolarHBondContact NH2-OE1 2.74Å; R56-E105 IonicContact NH2-OE2 3.17Å; R56-E105 PolarHBondContact NH2-OE2 2.87Å
57I91.9Very high89.9Confident0 Ų069.9 Ų69.90%035%0.345CS..Hα-helixtrans-66.6-48170.7-70162.9000110I53 V54 E59 L60 L61 V68 C69 I72 F102I53-I57 HydrophobicContact CG2-CD1 3.53Å; I53-I57 HydrophobicContact CG2-CG1 4.49Å; I53-I57 WeakPolarHBondContact O-CB 3.21Å; I53-I57 WeakPolarHBondContact O-CD1 3.37Å; I53-I57 VanDerWaalsContact O-CG1 3.25Å; I53-I57 WeakPolarHBondContact O-CG1 3.42Å; I53-I57 PolarHBondContact O-N 3.44Å; V54-I57 PolarHBondContact O-N 2.9Å; I57-E59 VanDerWaalsContact C-N 3.31Å; I57-E59 PolarHBondContact O-N 3.48Å; I57-L60 CarbonylContact O-C 3.44Å; I57-L60 PolarHBondContact O-N 3.37Å; I57-L61 HydrophobicContact CG2-CD1 3.73Å; I57-L61 HydrophobicContact CG2-CG 4.38Å; I57-L61 PolarHBondContact O-N 3Å; I57-V68 HydrophobicContact CD1-CG1 4.39Å; I57-V68 HydrophobicContact CG2-CG1 4.19Å; I57-C69 HydrophobicContact CD1-CB 4.31Å; I57-C69 VanDerWaalsContact CD1-SG 3.58Å; I57-I72 HydrophobicContact CD1-CD1 3.66Å; I57-I72 HydrophobicContact CG1-CD1 4.22Å; I57-F102 HydrophobicContact CD1-CZ 4.43Å; I57-F102 HydrophobicContact CG1-CE2 3.89Å; I57-F102 HydrophobicContact CG1-CZ 4.19Å
58T91.8Very high90.1Very high44 Ų4464.7 Ų64.727%0.2732%0.321SS..Hα-helixtrans-61.3-36.6178.6-59.50000112.3V54 K55 L60 N62 E64V54-T58 PolarHBondContact O-N 2.82Å; V54-T58 PolarHBondContact O-OG1 3.42Å; K55-T58 PolarHBondContact O-N 2.9Å; T58-L60 PolarHBondContact O-N 2.97Å; T58-N62 VanDerWaalsContact O-CA 3.24Å; T58-N62 WeakPolarHBondContact O-CA 3.29Å; T58-N62 PolarHBondContact O-N 2.94Å; T58-E64 HydrophobicContact CG2-CB 4.49Å
59E92.1Very high90.3Very high83 Ų8364.1 Ų64.139%0.38832%0.316SS..Hα-helixtrans-62.7-36170.5-75.7173.6-171.200113.5K55 R56 I57 N62K55-E59 WeakPolarHBondContact CE-OE1 3.32Å; K55-E59 WeakPolarHBondContact O-CG 3.32Å; K55-E59 PolarHBondContact O-N 2.84Å; R56-E59 VanDerWaalsContact CD-OE2 3.26Å; R56-E59 WeakPolarHBondContact CD-OE2 3.25Å; R56-E59 IonicContact CZ-OE2 3.1Å; R56-E59 IonicContact NE-OE2 3.4Å; R56-E59 IonicContact NH1-OE2 2.68Å; R56-E59 PolarHBondContact NH1-OE2 2.85Å; I57-E59 VanDerWaalsContact C-N 3.31Å; I57-E59 PolarHBondContact O-N 3.48Å; E59-N62 PolarHBondContact O-ND2 3.5Å; E59-N62 VanDerWaalsContact O-ND2 3.17Å
60L89.7Confident90.5Very high30 Ų3067.5 Ų67.516%0.15734%0.335CS..Hα-helixtrans-91.4-19.8-173.5-70.7173.6000114.9R56 I57 T58 L94 N98 F102R56-L60 HydrophobicContact CG-CD1 4.31Å; R56-L60 WeakPolarHBondContact O-CB 3.47Å; R56-L60 WeakPolarHBondContact O-CD1 3.37Å; R56-L60 WeakPolarHBondContact O-CG 3.4Å; R56-L60 PolarHBondContact O-N 3.2Å; I57-L60 CarbonylContact O-C 3.44Å; I57-L60 PolarHBondContact O-N 3.37Å; T58-L60 PolarHBondContact O-N 2.97Å; L60-L94 HydrophobicContact CD1-CD1 4.36Å; L60-N98 HydrophobicContact CD2-CB 4.11Å; L60-N98 PolarHBondContact O-ND2 3.48Å; L60-N98 VanDerWaalsContact O-ND2 3.1Å; L60-F102 HydrophobicContact CD1-CB 3.72Å; L60-F102 HydrophobicContact CD1-CD2 3.91Å; L60-F102 HydrophobicContact CD1-CG 4.23Å
61L86.9Confident90.7Very high32 Ų3266.3 Ų66.317%0.16833%0.331CS..Hα-helixtrans-103.1-24.8174.7-74.2179.2000113.1I57 F63 D65 L94I57-L61 HydrophobicContact CG2-CD1 3.73Å; I57-L61 HydrophobicContact CG2-CG 4.38Å; I57-L61 PolarHBondContact O-N 3Å; L61-F63 HydrophobicContact CB-CD1 3.91Å; L61-F63 HydrophobicContact CB-CE1 3.79Å; L61-F63 HydrophobicContact CB-CG 4.33Å; L61-F63 HydrophobicContact CB-CZ 4.13Å; L61-F63 HydrophobicContact CD1-CE1 4.45Å; L61-F63 HydrophobicContact CD1-CE2 4.04Å; L61-F63 HydrophobicContact CD1-CZ 3.93Å; L61-F63 HydrophobicContact CD2-CE1 4.1Å; L61-F63 HydrophobicContact CD2-CZ 4.07Å; L61-F63 HydrophobicContact CG-CE1 4.34Å; L61-F63 HydrophobicContact CG-CZ 4.27Å; L61-F63 VanDerWaalsContact O-CD1 3.23Å; L61-F63 WeakPolarHBondContact O-CD1 3.3Å; L61-F63 PolarHBondContact O-N 3.4Å; L61-D65 HydrophobicContact CD1-CB 4.21Å; L61-L94 HydrophobicContact CD1-CD2 4.02Å; L61-L94 HydrophobicContact CD2-CD2 3.63Å; L61-L94 HydrophobicContact CG-CD2 3.64Å
62N87.6Confident90.8Very high144 Ų14462.4 Ų62.477%0.7731%0.305SS*.SBendtrans62.315.7-169.6-47.6127000114.6T58 E59T58-N62 VanDerWaalsContact O-CA 3.24Å; T58-N62 WeakPolarHBondContact O-CA 3.29Å; T58-N62 PolarHBondContact O-N 2.94Å; E59-N62 PolarHBondContact O-ND2 3.5Å; E59-N62 VanDerWaalsContact O-ND2 3.17Å
63F90Very high90.7Very high113 Ų11361.2 Ų61.250%0.49630%0.301SS..SBendtrans-142.8157.9163.761.5-87.1000108.5L61 D65L61-F63 HydrophobicContact CB-CD1 3.91Å; L61-F63 HydrophobicContact CB-CE1 3.79Å; L61-F63 HydrophobicContact CB-CG 4.33Å; L61-F63 HydrophobicContact CB-CZ 4.13Å; L61-F63 HydrophobicContact CD1-CE1 4.45Å; L61-F63 HydrophobicContact CD1-CE2 4.04Å; L61-F63 HydrophobicContact CD1-CZ 3.93Å; L61-F63 HydrophobicContact CD2-CE1 4.1Å; L61-F63 HydrophobicContact CD2-CZ 4.07Å; L61-F63 HydrophobicContact CG-CE1 4.34Å; L61-F63 HydrophobicContact CG-CZ 4.27Å; L61-F63 VanDerWaalsContact O-CD1 3.23Å; L61-F63 WeakPolarHBondContact O-CD1 3.3Å; L61-F63 PolarHBondContact O-N 3.4Å; F63-D65 HydrophobicContact CD2-CB 4.12Å; F63-D65 HydrophobicContact CE2-CB 3.84Å
64E85.8Confident90.7Very high130 Ų13065.2 Ų65.261%0.60732%0.323SS*.  trans-88.2134.4175-173.8158.5-141.700109.5V54 T58V54-E64 VanDerWaalsContact CG1-OE1 3.28Å; V54-E64 WeakPolarHBondContact CG1-OE1 3.23Å; T58-E64 HydrophobicContact CG2-CB 4.49Å
65D90.6Very high90.6Very high41 Ų4165.1 Ų65.122%0.21932%0.32CS..  trans-138.793.4-176.1-170.3-31.6000109.6L61 F63 V67 V68 C69L61-D65 HydrophobicContact CD1-CB 4.21Å; F63-D65 HydrophobicContact CD2-CB 4.12Å; F63-D65 HydrophobicContact CE2-CB 3.84Å; D65-V67 PolarHBondContact O-N 3.09Å; D65-V67 WeakPolarHBondContact OD1-CB 3.18Å; D65-V67 PolarHBondContact OD1-N 3.45Å; D65-V68 HydrophobicContact CB-CB 4.12Å; D65-V68 HydrophobicContact CB-CG2 4.15Å; D65-V68 PolarHBondContact O-N 3.08Å; D65-V68 VanDerWaalsContact O-N 3.14Å; D65-V68 PolarHBondContact OD1-N 2.91Å; D65-V68 WeakPolarHBondContact OD2-CG2 3.27Å; D65-C69 PolarHBondContact O-N 2.72Å; D65-C69 PolarHBondContact O-SG 3.45Å
66E91.1Very high90.4Very high151 Ų15159 Ų5971%0.70629%0.293SS*.Hα-helixtrans-55.4-34.7179-64.1178.3169.300112C69 D70E66-C69 PolarHBondContact O-N 3.29Å; E66-D70 WeakPolarHBondContact O-CB 3.48Å; E66-D70 PolarHBondContact O-N 3.4Å
67V91Very high90.1Very high107 Ų10761.9 Ų61.965%0.64831%0.309SS*.Hα-helixtrans-68.9-37.9-179.2-173.60000110.9D65 Y71D65-V67 PolarHBondContact O-N 3.09Å; D65-V67 WeakPolarHBondContact OD1-CB 3.18Å; D65-V67 PolarHBondContact OD1-N 3.45Å; V67-Y71 WeakPolarHBondContact O-CB 3.07Å; V67-Y71 PolarHBondContact O-N 2.89Å
68V90.8Very high89.8Confident3 Ų367.2 Ų67.22%0.01833%0.334CS..Hα-helixtrans-73-37.9174.3176.70000111.3I57 D65 I72 F93I57-V68 HydrophobicContact CD1-CG1 4.39Å; I57-V68 HydrophobicContact CG2-CG1 4.19Å; D65-V68 HydrophobicContact CB-CB 4.12Å; D65-V68 HydrophobicContact CB-CG2 4.15Å; D65-V68 PolarHBondContact O-N 3.08Å; D65-V68 VanDerWaalsContact O-N 3.14Å; D65-V68 PolarHBondContact OD1-N 2.91Å; D65-V68 WeakPolarHBondContact OD2-CG2 3.27Å; V68-I72 HydrophobicContact CG1-CD1 3.93Å; V68-I72 VanDerWaalsContact O-CG1 3.29Å; V68-I72 WeakPolarHBondContact O-CG1 3.34Å; V68-I72 PolarHBondContact O-N 3.35Å; V68-F93 HydrophobicContact CG1-CB 4.31Å; V68-F93 HydrophobicContact CG2-CB 4.04Å; V68-F93 HydrophobicContact CG2-CD1 3.66Å; V68-F93 HydrophobicContact CG2-CE1 4.33Å; V68-F93 HydrophobicContact CG2-CG 4Å
69C91Very high89.2Confident9 Ų972.9 Ų72.96%0.06135%0.35CS..Hα-helixtrans-61.6-54175-680000112V54 I57 D65 E66 Y71 I72 F73V54-C69 HydrophobicContact CG2-CB 4.24Å; I57-C69 HydrophobicContact CD1-CB 4.31Å; I57-C69 VanDerWaalsContact CD1-SG 3.58Å; D65-C69 PolarHBondContact O-N 2.72Å; D65-C69 PolarHBondContact O-SG 3.45Å; E66-C69 PolarHBondContact O-N 3.29Å; C69-Y71 VanDerWaalsContact C-N 3.35Å; C69-Y71 PolarHBondContact O-N 3.01Å; C69-I72 PolarHBondContact O-N 2.89Å; C69-F73 PolarHBondContact O-N 3.47Å
70D92Very high88.8Confident73 Ų7373.7 Ų73.739%0.3935%0.354SS..Hα-helixtrans-65.6-36.9178.1-79.6-15.7000111.5R50 E66 I72 F73 N74R50-D70 IonicContact NH1-OD1 3.27Å; R50-D70 IonicContact NH2-OD1 3.52Å; E66-D70 WeakPolarHBondContact O-CB 3.48Å; E66-D70 PolarHBondContact O-N 3.4Å; D70-I72 VanDerWaalsContact C-N 3.28Å; D70-I72 PolarHBondContact O-N 2.84Å; D70-F73 PolarHBondContact O-N 3.48Å; D70-N74 WeakPolarHBondContact O-CB 3.33Å; D70-N74 PolarHBondContact O-N 2.93Å; D70-N74 PolarHBondContact O-ND2 2.91Å
71Y92.6Very high88.7Confident63 Ų6372.6 Ų72.625%0.24735%0.349CS..Hα-helixtrans-59.5-39.6173.8-177.7-104.2000112.2V67 C69 Q75 N89 F93V67-Y71 WeakPolarHBondContact O-CB 3.07Å; V67-Y71 PolarHBondContact O-N 2.89Å; C69-Y71 VanDerWaalsContact C-N 3.35Å; C69-Y71 PolarHBondContact O-N 3.01Å; Y71-Q75 HydrophobicContact CE1-CG 4.01Å; Y71-Q75 HydrophobicContact CE2-CG 4.27Å; Y71-Q75 VanDerWaalsContact O-CG 3.23Å; Y71-Q75 WeakPolarHBondContact O-CG 3.32Å; Y71-Q75 PolarHBondContact O-N 3.4Å; Y71-Q75 PolarHBondContact OH-OE1 3.5Å; Y71-N89 HydrophobicContact CE1-CB 3.92Å; Y71-N89 VanDerWaalsContact OH-CB 3.3Å; Y71-N89 WeakPolarHBondContact OH-CB 3.38Å; Y71-N89 PolarHBondContact OH-ND2 3.24Å; Y71-N89 VanDerWaalsContact OH-ND2 3.1Å; Y71-F93 HydrophobicContact CD1-CD2 4.2Å; Y71-F93 AromaticContact CD1-CE2 3.52Å; Y71-F93 HydrophobicContact CD1-CE2 3.52Å; Y71-F93 HydrophobicContact CD1-CZ 4.13Å; Y71-F93 HydrophobicContact CE1-CD2 4.4Å; Y71-F93 AromaticContact CE1-CE2 3.64Å; Y71-F93 HydrophobicContact CE1-CE2 3.64Å; Y71-F93 HydrophobicContact CE1-CZ 4.45Å; Y71-F93 HydrophobicContact CG-CE2 4.2Å; Y71-F93 HydrophobicContact CG-CZ 4.36Å
72I90.9Very high88.6Confident1 Ų175 Ų751%0.00536%0.362CS..Hα-helixtrans-71.9-36.5176.6-70.3169.2000111.3I53 I57 V68 C69 D70 Q75 L76 I90 F102I53-I72 HydrophobicContact CD1-CG2 4.48Å; I53-I72 HydrophobicContact CG2-CG2 4.05Å; I57-I72 HydrophobicContact CD1-CD1 3.66Å; I57-I72 HydrophobicContact CG1-CD1 4.22Å; V68-I72 HydrophobicContact CG1-CD1 3.93Å; V68-I72 VanDerWaalsContact O-CG1 3.29Å; V68-I72 WeakPolarHBondContact O-CG1 3.34Å; V68-I72 PolarHBondContact O-N 3.35Å; C69-I72 PolarHBondContact O-N 2.89Å; D70-I72 VanDerWaalsContact C-N 3.28Å; D70-I72 PolarHBondContact O-N 2.84Å; I72-Q75 PolarHBondContact O-N 3.26Å; I72-L76 WeakPolarHBondContact O-CG 3.29Å; I72-L76 PolarHBondContact O-N 2.98Å; I72-I90 HydrophobicContact CD1-CD1 3.7Å; I72-I90 HydrophobicContact CD1-CG1 4Å; I72-I90 HydrophobicContact CG1-CD1 3.63Å; I72-I90 HydrophobicContact CG1-CG1 3.82Å; I72-I90 HydrophobicContact CG2-CD1 4.35Å; I72-F102 HydrophobicContact CD1-CE1 3.95Å; I72-F102 HydrophobicContact CD1-CZ 4.09Å; I72-F102 HydrophobicContact CG2-CE1 4.15Å; I72-F102 HydrophobicContact CG2-CZ 4.17Å
73F90.4Very high88.7Confident27 Ų2768.8 Ų68.812%0.11833%0.329CS..Hα-helixtrans-63.3-49.9174.3-167.1-94.9000111.7L46 R50 C69 D70 Q75 L76 E77L46-F73 HydrophobicContact CB-CE2 4.23Å; L46-F73 HydrophobicContact CB-CZ 4.41Å; R50-F73 HydrophobicContact CB-CE2 4.49Å; C69-F73 PolarHBondContact O-N 3.47Å; D70-F73 PolarHBondContact O-N 3.48Å; F73-Q75 PolarHBondContact O-N 2.94Å; F73-L76 CarbonylContact O-C 3.49Å; F73-L76 WeakPolarHBondContact O-CA 3.23Å; F73-L76 WeakPolarHBondContact O-CB 3.44Å; F73-L76 PolarHBondContact O-N 2.88Å; F73-E77 HydrophobicContact CD1-CG 4.21Å; F73-E77 HydrophobicContact CE1-CG 4.2Å; F73-E77 WeakPolarHBondContact CE1-OE1 3.48Å; F73-E77 PolarHBondContact O-N 3.43Å; F73-E77 VanDerWaalsContact O-N 3.15Å
74N91.6Very high88.6Confident89 Ų8967 Ų6748%0.47632%0.321SS..Hα-helixtrans-57-33.7176.1-66.4-29.5000112.6D70 L76 E77D70-N74 WeakPolarHBondContact O-CB 3.33Å; D70-N74 PolarHBondContact O-N 2.93Å; D70-N74 PolarHBondContact O-ND2 2.91Å; N74-L76 PolarHBondContact O-N 3.15Å; N74-E77 PolarHBondContact O-N 3.37Å
75Q90.3Very high88.7Confident38 Ų3863.2 Ų63.218%0.17830%0.304CS..THydrogen-bonded Turntrans-73.9-11174.9-72.8-68.915700113.9Y71 I72 F73 P81 I86Y71-Q75 HydrophobicContact CE1-CG 4.01Å; Y71-Q75 HydrophobicContact CE2-CG 4.27Å; Y71-Q75 VanDerWaalsContact O-CG 3.23Å; Y71-Q75 WeakPolarHBondContact O-CG 3.32Å; Y71-Q75 PolarHBondContact O-N 3.4Å; Y71-Q75 PolarHBondContact OH-OE1 3.5Å; I72-Q75 PolarHBondContact O-N 3.26Å; F73-Q75 PolarHBondContact O-N 2.94Å; Q75-P81 WeakPolarHBondContact O-CB 3.35Å; Q75-I86 HydrophobicContact CB-CG1 4.29Å
76L88.6Confident88.6Confident2 Ų261.4 Ų61.41%0.0129%0.294CS..THydrogen-bonded Turntrans-105.2-8.9174.5-65.2172.8000113.3M41 L46 I53 I72 F73 N74 E78 P81 I86 L106 L110M41-L76 WeakPolarHBondContact CG-O 3.16Å; M41-L76 HydrophobicContact SD-CD2 4.39Å; L46-L76 HydrophobicContact CD2-CB 4.28Å; I53-L76 HydrophobicContact CD1-CD1 3.87Å; I72-L76 WeakPolarHBondContact O-CG 3.29Å; I72-L76 PolarHBondContact O-N 2.98Å; F73-L76 CarbonylContact O-C 3.49Å; F73-L76 WeakPolarHBondContact O-CA 3.23Å; F73-L76 WeakPolarHBondContact O-CB 3.44Å; F73-L76 PolarHBondContact O-N 2.88Å; N74-L76 PolarHBondContact O-N 3.15Å; L76-E78 VanDerWaalsContact C-N 3.26Å; L76-E78 PolarHBondContact O-N 3.19Å; L76-P81 HydrophobicContact CD2-CG 4.41Å; L76-I86 HydrophobicContact CD2-CD1 4.22Å; L76-L106 HydrophobicContact CD1-CD1 4.47Å; L76-L106 HydrophobicContact CD1-CD2 4.38Å; L76-L110 HydrophobicContact CD2-CD1 4.01Å
77E86.5Confident88.6Confident119 Ų11954.3 Ų54.356%0.55626%0.261SS*.SBendtrans-70.5-22.8171.8-65.1-170.9158.400112.7F73 N74 R79F73-E77 HydrophobicContact CD1-CG 4.21Å; F73-E77 HydrophobicContact CE1-CG 4.2Å; F73-E77 WeakPolarHBondContact CE1-OE1 3.48Å; F73-E77 PolarHBondContact O-N 3.43Å; F73-E77 VanDerWaalsContact O-N 3.15Å; N74-E77 PolarHBondContact O-N 3.37Å; E77-R79 PolarHBondContact O-N 2.88Å
78E84.7Confident88.5Confident113 Ų11350.1 Ų50.153%0.52823%0.234SC..SBendtrans-65.4130.4174-178.6168.6-144.900110.9M41 L76 H80 P81M41-E78 VanDerWaalsContact CG-O 3.3Å; M41-E78 WeakPolarHBondContact CG-O 3.43Å; L76-E78 VanDerWaalsContact C-N 3.26Å; L76-E78 PolarHBondContact O-N 3.19Å; E78-H80 PolarHBondContact O-N 3.01Å; E78-P81 HydrophobicContact CB-CB 4.5Å; E78-P81 VanDerWaalsContact O-CD 3.26Å; E78-P81 WeakPolarHBondContact O-CD 3.25Å
79R79.6Confident88.5Confident162 Ų16251.9 Ų51.961%0.61124%0.244SC*.SBendtrans-53.7-35.6-171.2-168.8-177.1-174.4-1640.1115M41 E77M41-R79 PolarHBondContact N-O 3.5Å; M41-R79 VanDerWaalsContact N-O 3.1Å; E77-R79 PolarHBondContact O-N 2.88Å
80H84.2Confident88.5Confident101 Ų10151.5 Ų51.547%0.46824%0.241SC..SBendtrans-135.675.1-179.1-57.1-68.1000109.1D40 E78D40-H80 IonicContact OD1-CE1 3.95Å; D40-H80 PolarHBondContact OD1-CE1 3.34Å; D40-H80 IonicContact OD1-ND1 3.44Å; D40-H80 PolarHBondContact OD1-ND1 3.37Å; D40-H80 VanDerWaalsContact OD1-ND1 3.1Å; E78-H80 PolarHBondContact O-N 3.01Å
81P85.9Confident88.4Confident6 Ų649.3 Ų49.34%0.03923%0.23CC..  trans-75134.5-16730.9-31.4000109.9M41 Q75 L76 E78 P83 I86 W107M41-P81 HydrophobicContact CE-CG 3.83Å; M41-P81 HydrophobicContact CG-CG 3.8Å; M41-P81 HydrophobicContact SD-CG 3.91Å; Q75-P81 WeakPolarHBondContact O-CB 3.35Å; L76-P81 HydrophobicContact CD2-CG 4.41Å; E78-P81 HydrophobicContact CB-CB 4.5Å; E78-P81 VanDerWaalsContact O-CD 3.26Å; E78-P81 WeakPolarHBondContact O-CD 3.25Å; P81-P83 WeakPolarHBondContact O-CD 3.21Å; P81-I86 HydrophobicContact CB-CD1 3.79Å; P81-W107 HydrophobicContact CG-CH2 4.15Å; P81-W107 WeakPolarHBondContact O-CH2 3.14Å
82D86.5Confident88.2Confident84 Ų8449.5 Ų49.545%0.44925%0.252SS..  trans-85.8103.3-170.9-15318.3000109.9K84 E85 I86D82-K84 PolarHBondContact O-N 2.92Å; D82-E85 HydrophobicContact CB-CB 4.32Å; D82-E85 WeakPolarHBondContact O-CB 3.45Å; D82-E85 PolarHBondContact O-N 3.48Å; D82-I86 PolarHBondContact O-N 3.17Å; D82-I86 VanDerWaalsContact O-N 3.11Å
83P88Confident88.1Confident12 Ų1254.4 Ų54.48%0.07827%0.273CS..Hα-helixtrans-61.5-25.3-164.920-31.7000113.8L35 P81 Q87 L103 W107L35-P83 HydrophobicContact CB-CB 4.02Å; L35-P83 HydrophobicContact CB-CG 4.14Å; L35-P83 HydrophobicContact CD1-CB 4.4Å; L35-P83 HydrophobicContact CD2-CB 4.02Å; L35-P83 HydrophobicContact CG-CB 4.34Å; P81-P83 WeakPolarHBondContact O-CD 3.21Å; P83-Q87 WeakPolarHBondContact O-CB 3.07Å; P83-Q87 PolarHBondContact O-N 2.89Å; P83-L103 HydrophobicContact CB-CD2 4.28Å; P83-W107 HydrophobicContact CB-CD2 4.01Å; P83-W107 HydrophobicContact CB-CE3 4.05Å; P83-W107 HydrophobicContact CB-CH2 3.6Å; P83-W107 HydrophobicContact CB-CZ2 3.54Å; P83-W107 HydrophobicContact CB-CZ3 3.86Å; P83-W107 HydrophobicContact CG-CH2 4.02Å; P83-W107 HydrophobicContact CG-CZ2 3.56Å
84K87.7Confident87.8Confident76 Ų7653.2 Ų53.233%0.3327%0.268SS..Hα-helixtrans-75.8-31.2179.1-60.8179-178.21640111.9M26 F31 D82 I88M26-K84 HydrophobicContact CE-CB 3.78Å; M26-K84 HydrophobicContact CE-CD 4.06Å; M26-K84 HydrophobicContact SD-CB 3.6Å; F31-K84 HydrophobicContact CD1-CB 3.87Å; F31-K84 HydrophobicContact CD1-CD 4.38Å; F31-K84 HydrophobicContact CD1-CG 3.65Å; F31-K84 HydrophobicContact CE1-CB 3.52Å; F31-K84 HydrophobicContact CE1-CD 4.49Å; F31-K84 HydrophobicContact CE1-CG 3.82Å; F31-K84 HydrophobicContact CG-CD 4.46Å; F31-K84 HydrophobicContact CG-CG 4.14Å; F31-K84 HydrophobicContact CZ-CB 4.1Å; F31-K84 HydrophobicContact CZ-CG 4.41Å; D82-K84 PolarHBondContact O-N 2.92Å; K84-I88 WeakPolarHBondContact O-CD1 3.15Å; K84-I88 VanDerWaalsContact O-CG1 3.29Å; K84-I88 WeakPolarHBondContact O-CG1 3.41Å; K84-I88 PolarHBondContact O-N 2.87Å; K84-I88 VanDerWaalsContact O-N 3.14Å
85E88.3Confident87.7Confident51 Ų5154.6 Ų54.624%0.23828%0.276CS..Hα-helixtrans-73.5-45.7170.4175.7146.1-130.200110.8K22 D82 Q87 I88 N89K22-E85 VanDerWaalsContact CE-CD 3.46Å; K22-E85 WeakPolarHBondContact CE-OE1 3.44Å; K22-E85 WeakPolarHBondContact CE-OE2 3.1Å; K22-E85 IonicContact NZ-OE1 2.56Å; K22-E85 PolarHBondContact NZ-OE1 3.2Å; K22-E85 IonicContact NZ-OE2 3.89Å; K22-E85 PolarHBondContact NZ-OE2 3.18Å; D82-E85 HydrophobicContact CB-CB 4.32Å; D82-E85 WeakPolarHBondContact O-CB 3.45Å; D82-E85 PolarHBondContact O-N 3.48Å; E85-Q87 PolarHBondContact O-N 3.07Å; E85-I88 PolarHBondContact O-N 3.3Å; E85-N89 WeakPolarHBondContact O-CB 3.5Å; E85-N89 VanDerWaalsContact O-CG 3.23Å; E85-N89 PolarHBondContact O-N 3.48Å; E85-N89 PolarHBondContact O-OD1 3.35Å
86I89.9Confident87.5Confident3 Ų356.5 Ų56.52%0.01529%0.293CS..Hα-helixtrans-56.6-41.9173.8-55.2173.1000110.1Q75 L76 P81 D82 I88 N89 I90 L103 W107Q75-I86 HydrophobicContact CB-CG1 4.29Å; L76-I86 HydrophobicContact CD2-CD1 4.22Å; P81-I86 HydrophobicContact CB-CD1 3.79Å; D82-I86 PolarHBondContact O-N 3.17Å; D82-I86 VanDerWaalsContact O-N 3.11Å; I86-I88 PolarHBondContact O-N 2.7Å; I86-N89 PolarHBondContact O-N 2.82Å; I86-I90 HydrophobicContact CG2-CD1 3.49Å; I86-I90 VanDerWaalsContact CG2-CD1 3.49Å; I86-I90 HydrophobicContact CG2-CG1 3.95Å; I86-I90 WeakPolarHBondContact O-CB 3.28Å; I86-I90 VanDerWaalsContact O-CG1 3.3Å; I86-I90 WeakPolarHBondContact O-CG1 3.43Å; I86-I90 PolarHBondContact O-N 2.87Å; I86-L103 HydrophobicContact CB-CD1 4Å; I86-L103 HydrophobicContact CG2-CD1 3.75Å; I86-W107 HydrophobicContact CD1-CH2 4.47Å; I86-W107 HydrophobicContact CD1-CZ3 4.09Å
87Q89.6Confident87.5Confident2 Ų264.5 Ų64.51%0.00933%0.328CS..Hα-helixtrans-62.3-46.4175.7-157.6-174.5-34.400111.8K30 F31 L35 P83 E85 N89 T91 L103K30-Q87 PolarHBondContact O-NE2 3.44Å; F31-Q87 VanDerWaalsContact CA-OE1 3.28Å; F31-Q87 HydrophobicContact CD1-CB 4.42Å; F31-Q87 VanDerWaalsContact CD1-OE1 3.29Å; F31-Q87 HydrophobicContact CE1-CB 4.44Å; L35-Q87 VanDerWaalsContact CD1-OE1 3.26Å; P83-Q87 WeakPolarHBondContact O-CB 3.07Å; P83-Q87 PolarHBondContact O-N 2.89Å; E85-Q87 PolarHBondContact O-N 3.07Å; Q87-N89 VanDerWaalsContact C-N 3.3Å; Q87-N89 PolarHBondContact O-N 3.1Å; Q87-T91 HydrophobicContact CG-CG2 4.16Å; Q87-T91 WeakPolarHBondContact O-CB 3.48Å; Q87-T91 WeakPolarHBondContact O-CG2 3.23Å; Q87-T91 PolarHBondContact O-N 3.44Å; Q87-T91 PolarHBondContact O-OG1 2.92Å; Q87-L103 HydrophobicContact CB-CD1 3.67Å; Q87-L103 HydrophobicContact CG-CD1 4.09Å
88I89.9Confident87.7Confident19 Ų1961 Ų6110%0.09731%0.313CS..Hα-helixtrans-57.6-45.8177.2-74.5165.6000110.7L25 M26 M29 K84 E85 I86 T91L25-I88 HydrophobicContact CB-CD1 3.77Å; L25-I88 HydrophobicContact CB-CG1 4.05Å; L25-I88 HydrophobicContact CD1-CG2 3.84Å; M26-I88 HydrophobicContact CG-CD1 3.76Å; M26-I88 HydrophobicContact SD-CD1 3.63Å; M29-I88 HydrophobicContact SD-CG1 3.85Å; K84-I88 WeakPolarHBondContact O-CD1 3.15Å; K84-I88 VanDerWaalsContact O-CG1 3.29Å; K84-I88 WeakPolarHBondContact O-CG1 3.41Å; K84-I88 PolarHBondContact O-N 2.87Å; K84-I88 VanDerWaalsContact O-N 3.14Å; E85-I88 PolarHBondContact O-N 3.3Å; I86-I88 PolarHBondContact O-N 2.7Å; I88-T91 PolarHBondContact O-N 3.31Å; I88-T91 PolarHBondContact O-OG1 3.34Å
89N90.5Very high88Confident40 Ų4055.7 Ų55.721%0.21429%0.288CS..Hα-helixtrans-69.8-48.4-176.2-64.4-8000111.6Y71 E85 I86 Q87 T91 G92 F93Y71-N89 HydrophobicContact CE1-CB 3.92Å; Y71-N89 VanDerWaalsContact OH-CB 3.3Å; Y71-N89 WeakPolarHBondContact OH-CB 3.38Å; Y71-N89 PolarHBondContact OH-ND2 3.24Å; Y71-N89 VanDerWaalsContact OH-ND2 3.1Å; E85-N89 WeakPolarHBondContact O-CB 3.5Å; E85-N89 VanDerWaalsContact O-CG 3.23Å; E85-N89 PolarHBondContact O-N 3.48Å; E85-N89 PolarHBondContact O-OD1 3.35Å; I86-N89 PolarHBondContact O-N 2.82Å; Q87-N89 VanDerWaalsContact C-N 3.3Å; Q87-N89 PolarHBondContact O-N 3.1Å; N89-T91 VanDerWaalsContact C-N 3.27Å; N89-T91 PolarHBondContact O-N 2.67Å; N89-G92 PolarHBondContact O-N 2.82Å; N89-F93 WeakPolarHBondContact O-CD2 3.28Å
90I90.4Very high88.5Confident1 Ų152.3 Ų52.31%0.00528%0.275CS..Hα-helixtrans-61.3-33.9175.2-66.3-177.9000111.3I72 I86 G92 F93 L94 A99 F102 L103I72-I90 HydrophobicContact CD1-CD1 3.7Å; I72-I90 HydrophobicContact CD1-CG1 4Å; I72-I90 HydrophobicContact CG1-CD1 3.63Å; I72-I90 HydrophobicContact CG1-CG1 3.82Å; I72-I90 HydrophobicContact CG2-CD1 4.35Å; I86-I90 HydrophobicContact CG2-CD1 3.49Å; I86-I90 VanDerWaalsContact CG2-CD1 3.49Å; I86-I90 HydrophobicContact CG2-CG1 3.95Å; I86-I90 WeakPolarHBondContact O-CB 3.28Å; I86-I90 VanDerWaalsContact O-CG1 3.3Å; I86-I90 WeakPolarHBondContact O-CG1 3.43Å; I86-I90 PolarHBondContact O-N 2.87Å; I90-G92 PolarHBondContact O-N 3.17Å; I90-G92 VanDerWaalsContact O-N 3.08Å; I90-F93 PolarHBondContact O-N 3.49Å; I90-L94 HydrophobicContact CG2-CB 4.04Å; I90-L94 HydrophobicContact CG2-CD1 3.62Å; I90-L94 HydrophobicContact CG2-CG 3.79Å; I90-L94 PolarHBondContact O-N 2.92Å; I90-A99 HydrophobicContact CG2-CB 3.94Å; I90-F102 HydrophobicContact CD1-CD1 4.02Å; I90-F102 HydrophobicContact CD1-CE1 3.78Å; I90-F102 HydrophobicContact CG2-CD1 4.5Å; I90-L103 HydrophobicContact CD1-CD1 4.23Å
91T89.6Confident88.9Confident26 Ų2650.6 Ų50.616%0.1627%0.271CS..THydrogen-bonded Turntrans-67-5.5175.466.50000114.8M29 Q87 I88 N89 L94 A99M29-T91 HydrophobicContact CE-CG2 3.59Å; M29-T91 WeakPolarHBondContact CE-OG1 3.28Å; Q87-T91 HydrophobicContact CG-CG2 4.16Å; Q87-T91 WeakPolarHBondContact O-CB 3.48Å; Q87-T91 WeakPolarHBondContact O-CG2 3.23Å; Q87-T91 PolarHBondContact O-N 3.44Å; Q87-T91 PolarHBondContact O-OG1 2.92Å; I88-T91 PolarHBondContact O-N 3.31Å; I88-T91 PolarHBondContact O-OG1 3.34Å; N89-T91 VanDerWaalsContact C-N 3.27Å; N89-T91 PolarHBondContact O-N 2.67Å; T91-L94 CarbonylContact C-O 3.59Å; T91-L94 WeakPolarHBondContact CA-O 3.47Å; T91-A99 HydrophobicContact CG2-CB 3.43Å; T91-A99 VanDerWaalsContact CG2-CB 3.43Å
92G88.7Confident89.2Confident68 Ų6850.3 Ų50.370%0.70127%0.269SS*.THydrogen-bonded Turntrans-80.2-29.1167.900000113.8N89 I90N89-G92 PolarHBondContact O-N 2.82Å; I90-G92 PolarHBondContact O-N 3.17Å; I90-G92 VanDerWaalsContact O-N 3.08Å
93F88.4Confident89.4Confident103 Ų10346.3 Ų46.345%0.45225%0.248SC..THydrogen-bonded Turntrans-100.6-53.4180-57.1-86.7000111.2V68 Y71 N89 I90V68-F93 HydrophobicContact CG1-CB 4.31Å; V68-F93 HydrophobicContact CG2-CB 4.04Å; V68-F93 HydrophobicContact CG2-CD1 3.66Å; V68-F93 HydrophobicContact CG2-CE1 4.33Å; V68-F93 HydrophobicContact CG2-CG 4Å; Y71-F93 HydrophobicContact CD1-CD2 4.2Å; Y71-F93 AromaticContact CD1-CE2 3.52Å; Y71-F93 HydrophobicContact CD1-CE2 3.52Å; Y71-F93 HydrophobicContact CD1-CZ 4.13Å; Y71-F93 HydrophobicContact CE1-CD2 4.4Å; Y71-F93 AromaticContact CE1-CE2 3.64Å; Y71-F93 HydrophobicContact CE1-CE2 3.64Å; Y71-F93 HydrophobicContact CE1-CZ 4.45Å; Y71-F93 HydrophobicContact CG-CE2 4.2Å; Y71-F93 HydrophobicContact CG-CZ 4.36Å; N89-F93 WeakPolarHBondContact O-CD2 3.28Å; I90-F93 PolarHBondContact O-N 3.49Å
94L85.7Confident89.6Confident3 Ų347.1 Ų47.12%0.01625%0.254CS..SBendtrans-87.7138.9176.8-57-171.8000110.4L60 L61 I90 T91 S96 N98 A99 F102L60-L94 HydrophobicContact CD1-CD1 4.36Å; L61-L94 HydrophobicContact CD1-CD2 4.02Å; L61-L94 HydrophobicContact CD2-CD2 3.63Å; L61-L94 HydrophobicContact CG-CD2 3.64Å; I90-L94 HydrophobicContact CG2-CB 4.04Å; I90-L94 HydrophobicContact CG2-CD1 3.62Å; I90-L94 HydrophobicContact CG2-CG 3.79Å; I90-L94 PolarHBondContact O-N 2.92Å; T91-L94 CarbonylContact C-O 3.59Å; T91-L94 WeakPolarHBondContact CA-O 3.47Å; L94-S96 PolarHBondContact O-N 2.91Å; L94-N98 HydrophobicContact CB-CB 4.42Å; L94-A99 HydrophobicContact CB-CB 4.01Å; L94-F102 HydrophobicContact CD1-CB 4.25Å; L94-F102 HydrophobicContact CD1-CD1 4.45Å; L94-F102 HydrophobicContact CD1-CG 4.19Å
95N88.1Confident89.8Confident118 Ų11846.3 Ų46.363%0.63125%0.252SS*.  trans-48.5139171.4-76.8-64.1000111.2K97 N98 A99N95-K97 CarbonylContact O-C 3.58Å; N95-K97 PolarHBondContact O-N 3.32Å; N95-N98 HydrophobicContact CB-CB 4.43Å; N95-N98 WeakPolarHBondContact O-CA 3.24Å; N95-N98 WeakPolarHBondContact O-CB 3.4Å; N95-N98 PolarHBondContact O-N 3.06Å; N95-A99 PolarHBondContact O-N 2.87Å
96S87Confident89.9Confident77 Ų7744 Ų4454%0.53824%0.241SC..THydrogen-bonded Turntrans-62.5-9.5-168.6-35.30000115.8L94L94-S96 PolarHBondContact O-N 2.91Å
97K88.2Confident90Very high171 Ų17143.9 Ų43.974%0.74324%0.24SC*.THydrogen-bonded Turntrans-81.6-57.9166.3-65.5-177-179.2-178.90111N95 A99 R100 V101N95-K97 CarbonylContact O-C 3.58Å; N95-K97 PolarHBondContact O-N 3.32Å; K97-A99 PolarHBondContact O-N 3.01Å; K97-R100 WeakPolarHBondContact O-CB 3.37Å; K97-R100 PolarHBondContact O-N 2.89Å; K97-V101 PolarHBondContact O-N 3.13Å; K97-V101 VanDerWaalsContact O-N 3.15Å
98N91.1Very high90.1Very high46 Ų4647.1 Ų47.125%0.24626%0.257CS..Hα-helixtrans-52.2-45.3178.5-58.731.3000110.4L60 L94 N95 R100 V101 F102L60-N98 HydrophobicContact CD2-CB 4.11Å; L60-N98 PolarHBondContact O-ND2 3.48Å; L60-N98 VanDerWaalsContact O-ND2 3.1Å; L94-N98 HydrophobicContact CB-CB 4.42Å; N95-N98 HydrophobicContact CB-CB 4.43Å; N95-N98 WeakPolarHBondContact O-CA 3.24Å; N95-N98 WeakPolarHBondContact O-CB 3.4Å; N95-N98 PolarHBondContact O-N 3.06Å; N98-R100 VanDerWaalsContact C-N 3.33Å; N98-R100 PolarHBondContact O-N 3.35Å; N98-V101 PolarHBondContact O-N 3.23Å; N98-F102 VanDerWaalsContact O-CB 3.29Å; N98-F102 WeakPolarHBondContact O-CB 3.42Å; N98-F102 PolarHBondContact O-N 2.99Å
99A90.8Very high90.1Very high0 Ų047 Ų470%026%0.257CS..Hα-helixtrans-61.6-33176.300000114.3I90 T91 L94 N95 K97 L103I90-A99 HydrophobicContact CG2-CB 3.94Å; T91-A99 HydrophobicContact CG2-CB 3.43Å; T91-A99 VanDerWaalsContact CG2-CB 3.43Å; L94-A99 HydrophobicContact CB-CB 4.01Å; N95-A99 PolarHBondContact O-N 2.87Å; K97-A99 PolarHBondContact O-N 3.01Å; A99-L103 VanDerWaalsContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CB 3.34Å; A99-L103 PolarHBondContact O-N 3.39Å
100R90.5Very high90Very high92 Ų9245 Ų4535%0.34725%0.246SC..Hα-helixtrans-71.1-42.6175.5-169.4-174.8-171.6-1221.3110.6F31 E33 K97 N98 S104F31-R100 VanDerWaalsContact O-CZ 3.27Å; F31-R100 PolarHBondContact O-NE 2.97Å; F31-R100 PolarHBondContact O-NH2 3.14Å; E33-R100 IonicContact OE1-CZ 2.74Å; E33-R100 IonicContact OE1-NH2 3.62Å; E33-R100 PolarHBondContact OE1-NH2 3.42Å; K97-R100 WeakPolarHBondContact O-CB 3.37Å; K97-R100 PolarHBondContact O-N 2.89Å; N98-R100 VanDerWaalsContact C-N 3.33Å; N98-R100 PolarHBondContact O-N 3.35Å; R100-S104 PolarHBondContact O-N 2.89Å; R100-S104 VanDerWaalsContact O-N 3.08Å; R100-S104 PolarHBondContact O-OG 2.75Å
101V91.4Very high89.9Confident64 Ų6445.5 Ų45.539%0.38825%0.249SC..Hα-helixtrans-67.3-52.5-179.6175.20000111K97 N98 L103 S104 E105K97-V101 PolarHBondContact O-N 3.13Å; K97-V101 VanDerWaalsContact O-N 3.15Å; N98-V101 PolarHBondContact O-N 3.23Å; V101-L103 VanDerWaalsContact C-N 3.29Å; V101-L103 PolarHBondContact O-N 3.1Å; V101-S104 PolarHBondContact O-N 2.94Å; V101-S104 PolarHBondContact O-OG 3.17Å; V101-E105 WeakPolarHBondContact CG1-OE1 3.26Å; V101-E105 WeakPolarHBondContact O-CG 3.21Å; V101-E105 PolarHBondContact O-N 3.44Å
102F92.5Very high89.9Confident0 Ų045.6 Ų45.60%025%0.251CS..Hα-helixtrans-50.4-49.6175.7176.5-97.7000111.8W52 I53 R56 I57 L60 I72 I90 L94 N98 E105 L106W52-F102 HydrophobicContact CZ3-CE2 4.18Å; I53-F102 HydrophobicContact CG2-CZ 4.36Å; R56-F102 HydrophobicContact CB-CD2 4.28Å; R56-F102 HydrophobicContact CB-CE2 4.13Å; R56-F102 HydrophobicContact CG-CD2 3.84Å; R56-F102 HydrophobicContact CG-CE2 4.19Å; I57-F102 HydrophobicContact CD1-CZ 4.43Å; I57-F102 HydrophobicContact CG1-CE2 3.89Å; I57-F102 HydrophobicContact CG1-CZ 4.19Å; L60-F102 HydrophobicContact CD1-CB 3.72Å; L60-F102 HydrophobicContact CD1-CD2 3.91Å; L60-F102 HydrophobicContact CD1-CG 4.23Å; I72-F102 HydrophobicContact CD1-CE1 3.95Å; I72-F102 HydrophobicContact CD1-CZ 4.09Å; I72-F102 HydrophobicContact CG2-CE1 4.15Å; I72-F102 HydrophobicContact CG2-CZ 4.17Å; I90-F102 HydrophobicContact CD1-CD1 4.02Å; I90-F102 HydrophobicContact CD1-CE1 3.78Å; I90-F102 HydrophobicContact CG2-CD1 4.5Å; L94-F102 HydrophobicContact CD1-CB 4.25Å; L94-F102 HydrophobicContact CD1-CD1 4.45Å; L94-F102 HydrophobicContact CD1-CG 4.19Å; N98-F102 VanDerWaalsContact O-CB 3.29Å; N98-F102 WeakPolarHBondContact O-CB 3.42Å; N98-F102 PolarHBondContact O-N 2.99Å; F102-E105 PolarHBondContact O-N 3.1Å; F102-L106 HydrophobicContact CE1-CD2 3.74Å; F102-L106 HydrophobicContact CZ-CD2 4.15Å; F102-L106 VanDerWaalsContact O-CB 3.25Å; F102-L106 WeakPolarHBondContact O-CB 3.45Å; F102-L106 PolarHBondContact O-N 3.24Å
103L91.7Very high89.8Confident0 Ų042.4 Ų42.40%022%0.217CC..Hα-helixtrans-76.5-31.8-173.8-145.5161.2000112.2L35 P83 I86 Q87 I90 A99 V101 W107L35-L103 HydrophobicContact CD1-CD2 4Å; L35-L103 HydrophobicContact CD2-CD2 3.45Å; L35-L103 VanDerWaalsContact CD2-CD2 3.45Å; L35-L103 HydrophobicContact CG-CD2 4.39Å; P83-L103 HydrophobicContact CB-CD2 4.28Å; I86-L103 HydrophobicContact CB-CD1 4Å; I86-L103 HydrophobicContact CG2-CD1 3.75Å; Q87-L103 HydrophobicContact CB-CD1 3.67Å; Q87-L103 HydrophobicContact CG-CD1 4.09Å; I90-L103 HydrophobicContact CD1-CD1 4.23Å; A99-L103 VanDerWaalsContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CB 3.34Å; A99-L103 PolarHBondContact O-N 3.39Å; V101-L103 VanDerWaalsContact C-N 3.29Å; V101-L103 PolarHBondContact O-N 3.1Å; L103-W107 HydrophobicContact CD2-CD2 4.43Å; L103-W107 HydrophobicContact CD2-CE3 3.85Å; L103-W107 HydrophobicContact CD2-CZ3 4.47Å; L103-W107 VanDerWaalsContact O-CB 3.29Å; L103-W107 WeakPolarHBondContact O-CB 3.45Å; L103-W107 PolarHBondContact O-N 2.71Å
104S91.2Very high89.7Confident29 Ų2939.8 Ų39.820%0.20321%0.207CC..Hα-helixtrans-61.2-49.5168.841.30000111.6R100 V101 L106 W107 D108R100-S104 PolarHBondContact O-N 2.89Å; R100-S104 VanDerWaalsContact O-N 3.08Å; R100-S104 PolarHBondContact O-OG 2.75Å; V101-S104 PolarHBondContact O-N 2.94Å; V101-S104 PolarHBondContact O-OG 3.17Å; S104-L106 VanDerWaalsContact C-N 3.35Å; S104-L106 PolarHBondContact O-N 2.97Å; S104-W107 PolarHBondContact O-N 2.82Å; S104-D108 PolarHBondContact O-N 3.43Å
105E92Very high89.7Confident60 Ų6047 Ų4728%0.2824%0.241SC..Hα-helixtrans-62-42.9-179.4-66.7165.5175.300111.6W52 R56 V101 F102 L109W52-E105 HydrophobicContact CH2-CB 3.94Å; W52-E105 HydrophobicContact CZ2-CB 3.96Å; R56-E105 IonicContact CZ-OE1 3.52Å; R56-E105 IonicContact CZ-OE2 3.71Å; R56-E105 VanDerWaalsContact CZ-OE2 3.22Å; R56-E105 IonicContact NE-OE2 2.67Å; R56-E105 PolarHBondContact NE-OE2 3.37Å; R56-E105 IonicContact NH2-OE1 2.69Å; R56-E105 PolarHBondContact NH2-OE1 2.74Å; R56-E105 IonicContact NH2-OE2 3.17Å; R56-E105 PolarHBondContact NH2-OE2 2.87Å; V101-E105 WeakPolarHBondContact CG1-OE1 3.26Å; V101-E105 WeakPolarHBondContact O-CG 3.21Å; V101-E105 PolarHBondContact O-N 3.44Å; F102-E105 PolarHBondContact O-N 3.1Å; E105-L109 VanDerWaalsContact O-CB 3.24Å; E105-L109 WeakPolarHBondContact O-CB 3.39Å; E105-L109 PolarHBondContact O-N 2.88Å
106L91Very high89.5Confident1 Ų142.6 Ų42.61%0.00522%0.218CC..Hα-helixtrans-61.8-43.6174.6175.860.4000111.9M49 W52 I53 L76 F102 S104 L109 L110M49-L106 HydrophobicContact CE-CD1 3.53Å; W52-L106 HydrophobicContact CE3-CD1 4.4Å; W52-L106 HydrophobicContact CH2-CB 4.04Å; W52-L106 HydrophobicContact CZ3-CB 3.86Å; W52-L106 HydrophobicContact CZ3-CD1 3.88Å; W52-L106 HydrophobicContact CZ3-CG 4.43Å; I53-L106 HydrophobicContact CD1-CD1 4.3Å; I53-L106 HydrophobicContact CG1-CD1 4.26Å; L76-L106 HydrophobicContact CD1-CD1 4.47Å; L76-L106 HydrophobicContact CD1-CD2 4.38Å; F102-L106 HydrophobicContact CE1-CD2 3.74Å; F102-L106 HydrophobicContact CZ-CD2 4.15Å; F102-L106 VanDerWaalsContact O-CB 3.25Å; F102-L106 WeakPolarHBondContact O-CB 3.45Å; F102-L106 PolarHBondContact O-N 3.24Å; S104-L106 VanDerWaalsContact C-N 3.35Å; S104-L106 PolarHBondContact O-N 2.97Å; L106-L109 PolarHBondContact O-N 2.95Å; L106-L110 HydrophobicContact CD1-CD1 4.08Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CG-CD1 4.02Å; L106-L110 WeakPolarHBondContact O-CB 3.33Å; L106-L110 VanDerWaalsContact O-CG 3.24Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 2.9Å
107W91.6Very high89.2Confident2 Ų245.1 Ų45.11%0.00823%0.233CC..Hα-helixtrans-68.7-39.4-178.5-141.2-108.4000111.8L35 Q37 V39 P81 P83 I86 L103 S104 L109 L110 L111L35-W107 HydrophobicContact CD2-CB 3.74Å; L35-W107 HydrophobicContact CD2-CD2 4.08Å; L35-W107 HydrophobicContact CD2-CG 3.65Å; Q37-W107 PolarHBondContact O-NE1 3.38Å; V39-W107 HydrophobicContact CB-CZ2 4.34Å; V39-W107 HydrophobicContact CG2-CD2 4.36Å; V39-W107 HydrophobicContact CG2-CH2 4.5Å; V39-W107 HydrophobicContact CG2-CZ2 3.67Å; P81-W107 HydrophobicContact CG-CH2 4.15Å; P81-W107 WeakPolarHBondContact O-CH2 3.14Å; P83-W107 HydrophobicContact CB-CD2 4.01Å; P83-W107 HydrophobicContact CB-CE3 4.05Å; P83-W107 HydrophobicContact CB-CH2 3.6Å; P83-W107 HydrophobicContact CB-CZ2 3.54Å; P83-W107 HydrophobicContact CB-CZ3 3.86Å; P83-W107 HydrophobicContact CG-CH2 4.02Å; P83-W107 HydrophobicContact CG-CZ2 3.56Å; I86-W107 HydrophobicContact CD1-CH2 4.47Å; I86-W107 HydrophobicContact CD1-CZ3 4.09Å; L103-W107 HydrophobicContact CD2-CD2 4.43Å; L103-W107 HydrophobicContact CD2-CE3 3.85Å; L103-W107 HydrophobicContact CD2-CZ3 4.47Å; L103-W107 VanDerWaalsContact O-CB 3.29Å; L103-W107 WeakPolarHBondContact O-CB 3.45Å; L103-W107 PolarHBondContact O-N 2.71Å; S104-W107 PolarHBondContact O-N 2.82Å; W107-L109 VanDerWaalsContact C-N 3.31Å; W107-L109 PolarHBondContact O-N 3.23Å; W107-L110 HydrophobicContact CE3-CD1 3.96Å; W107-L110 HydrophobicContact CZ3-CD1 4.13Å; W107-L110 PolarHBondContact O-N 3.28Å; W107-L111 WeakPolarHBondContact O-CB 3.38Å; W107-L111 WeakPolarHBondContact O-CG 3.22Å; W107-L111 PolarHBondContact O-N 3.29Å
108D91Very high88.7Confident69 Ų6942.5 Ų42.537%0.36923%0.227SC..Hα-helixtrans-65.3-38.1176.7-61.9-19.5000111.2N34 S104 L111 S112N34-D108 VanDerWaalsContact CB-OD1 3.28Å; N34-D108 WeakPolarHBondContact CB-OD1 3.11Å; N34-D108 VanDerWaalsContact CG-OD1 3.28Å; N34-D108 PolarHBondContact ND2-OD1 2.98Å; N34-D108 PolarHBondContact ND2-OD2 3.14Å; S104-D108 PolarHBondContact O-N 3.43Å; D108-L111 PolarHBondContact O-N 3.06Å; D108-S112 WeakPolarHBondContact O-CB 3.23Å; D108-S112 PolarHBondContact O-N 3.31Å
109L90.2Very high88.2Confident16 Ų1640.4 Ų40.48%0.08422%0.217CC..Hα-helixtrans-67.6-40.5175.6-163.265.9000111.9M49 W52 E105 L106 W107 S112 A113 P121 A123 F124M49-L109 HydrophobicContact CE-CB 4.13Å; M49-L109 HydrophobicContact CE-CD2 3.7Å; M49-L109 HydrophobicContact CE-CG 3.87Å; M49-L109 HydrophobicContact SD-CD2 4.3Å; M49-L109 HydrophobicContact SD-CG 4.29Å; W52-L109 HydrophobicContact CD2-CD2 3.54Å; W52-L109 HydrophobicContact CE3-CD2 3.92Å; W52-L109 HydrophobicContact CG-CD2 3.89Å; W52-L109 HydrophobicContact CH2-CD2 4.45Å; W52-L109 HydrophobicContact CZ2-CD2 4.09Å; W52-L109 HydrophobicContact CZ3-CD2 4.37Å; E105-L109 VanDerWaalsContact O-CB 3.24Å; E105-L109 WeakPolarHBondContact O-CB 3.39Å; E105-L109 PolarHBondContact O-N 2.88Å; L106-L109 PolarHBondContact O-N 2.95Å; W107-L109 VanDerWaalsContact C-N 3.31Å; W107-L109 PolarHBondContact O-N 3.23Å; L109-S112 WeakPolarHBondContact O-CB 3.43Å; L109-S112 PolarHBondContact O-N 3.37Å; L109-A113 PolarHBondContact O-N 3.29Å; L109-P121 HydrophobicContact CD1-CB 3.4Å; L109-P121 VanDerWaalsContact CD1-CB 3.4Å; L109-P121 HydrophobicContact CD1-CG 3.96Å; L109-P121 HydrophobicContact CG-CB 3.73Å; L109-P121 HydrophobicContact CG-CG 3.72Å; L109-P121 WeakPolarHBondContact O-CB 3.44Å; L109-P121 WeakPolarHBondContact O-CG 3.5Å; L109-A123 HydrophobicContact CD1-CB 3.88Å; L109-F124 HydrophobicContact CD1-CE1 4.38Å; L109-F124 HydrophobicContact CD2-CE1 4.03Å; L109-F124 HydrophobicContact CD2-CE2 4.5Å; L109-F124 HydrophobicContact CD2-CZ 3.69Å; L109-F124 HydrophobicContact CG-CZ 4.36Å
110L89.1Confident87.8Confident0 Ų041.5 Ų41.50%022%0.223CC..Hα-helixtrans-67.2-39.6172.5-71.2169.5000112.5V39 M41 I44 M49 L76 L106 W107 S112 A113 M114V39-L110 HydrophobicContact CG1-CB 4.27Å; M41-L110 HydrophobicContact CE-CD1 4.48Å; I44-L110 HydrophobicContact CD1-CB 4.06Å; I44-L110 HydrophobicContact CD1-CD2 3.81Å; I44-L110 VanDerWaalsContact CD1-O 3.3Å; I44-L110 WeakPolarHBondContact CD1-O 3.34Å; I44-L110 HydrophobicContact CG2-CD2 3.92Å; M49-L110 HydrophobicContact CE-CD2 3.74Å; M49-L110 HydrophobicContact CE-CG 3.9Å; M49-L110 HydrophobicContact CG-CD2 4.31Å; M49-L110 HydrophobicContact SD-CD2 4.31Å; L76-L110 HydrophobicContact CD2-CD1 4.01Å; L106-L110 HydrophobicContact CD1-CD1 4.08Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CG-CD1 4.02Å; L106-L110 WeakPolarHBondContact O-CB 3.33Å; L106-L110 VanDerWaalsContact O-CG 3.24Å; L106-L110 WeakPolarHBondContact O-CG 3.38Å; L106-L110 PolarHBondContact O-N 2.9Å; W107-L110 HydrophobicContact CE3-CD1 3.96Å; W107-L110 HydrophobicContact CZ3-CD1 4.13Å; W107-L110 PolarHBondContact O-N 3.28Å; L110-S112 VanDerWaalsContact C-N 3.31Å; L110-S112 PolarHBondContact O-N 3.14Å; L110-A113 WeakPolarHBondContact O-CB 3.25Å; L110-A113 PolarHBondContact O-N 2.93Å; L110-M114 PolarHBondContact O-N 2.93Å
111L89Confident87.5Confident11 Ų1137.1 Ų37.16%0.05821%0.206CC..Hα-helixtrans-66.5-33.5174.8-74168.9000112Q37 V39 W107 D108 M114 Q115Q37-L111 HydrophobicContact CB-CD1 4.14Å; Q37-L111 HydrophobicContact CB-CD2 4.03Å; Q37-L111 HydrophobicContact CG-CD1 4.42Å; Q37-L111 HydrophobicContact CG-CD2 3.63Å; V39-L111 HydrophobicContact CG2-CD2 3.83Å; V39-L111 HydrophobicContact CG2-CG 4.19Å; W107-L111 WeakPolarHBondContact O-CB 3.38Å; W107-L111 WeakPolarHBondContact O-CG 3.22Å; W107-L111 PolarHBondContact O-N 3.29Å; D108-L111 PolarHBondContact O-N 3.06Å; L111-M114 HydrophobicContact CD2-CE 4.05Å; L111-Q115 WeakPolarHBondContact O-CG 3.42Å; L111-Q115 PolarHBondContact O-NE2 3.31Å
112S87.9Confident87Confident28 Ų2836.2 Ų36.220%0.19621%0.206CC..Hα-helixtrans-66.3-46.7170-178.30000111.3D108 L109 L110 M114 Q115 T116 A122D108-S112 WeakPolarHBondContact O-CB 3.23Å; D108-S112 PolarHBondContact O-N 3.31Å; L109-S112 WeakPolarHBondContact O-CB 3.43Å; L109-S112 PolarHBondContact O-N 3.37Å; L110-S112 VanDerWaalsContact C-N 3.31Å; L110-S112 PolarHBondContact O-N 3.14Å; S112-M114 VanDerWaalsContact C-N 3.32Å; S112-M114 PolarHBondContact O-N 2.83Å; S112-Q115 PolarHBondContact O-N 2.93Å; S112-Q115 VanDerWaalsContact O-N 3.09Å; S112-T116 PolarHBondContact O-N 2.89Å; S112-A122 VanDerWaalsContact OG-CB 3.27Å; S112-A122 WeakPolarHBondContact OG-CB 3.49Å; S112-A122 PolarHBondContact OG-N 3.16Å
113A88.6Confident86.6Confident0 Ų038.6 Ų38.60%023%0.226CC..Hα-helixtrans-56.2-45176.800000112.3I44 L109 L110 Q115 T116 P121I44-A113 HydrophobicContact CB-CB 4.47Å; I44-A113 HydrophobicContact CD1-CB 4.16Å; I44-A113 HydrophobicContact CG1-CB 3.95Å; I44-A113 HydrophobicContact CG2-CB 3.94Å; L109-A113 PolarHBondContact O-N 3.29Å; L110-A113 WeakPolarHBondContact O-CB 3.25Å; L110-A113 PolarHBondContact O-N 2.93Å; A113-Q115 PolarHBondContact O-N 3.06Å; A113-T116 PolarHBondContact O-N 3.23Å; A113-T116 PolarHBondContact O-OG1 3.15Å; A113-P121 HydrophobicContact CB-CB 4.43Å; A113-P121 HydrophobicContact CB-CG 3.88Å
114M86.2Confident86.2Confident48 Ų4840.2 Ų40.224%0.23623%0.233CC..THydrogen-bonded Turntrans-65-16.5179.8-16817565.100114.2V39 D40 K43 I44 L110 L111 S112V39-M114 HydrophobicContact CG1-CB 4.46Å; V39-M114 HydrophobicContact CG1-SD 3.94Å; D40-M114 HydrophobicContact CB-SD 4.49Å; K43-M114 HydrophobicContact CB-CG 4.35Å; K43-M114 HydrophobicContact CD-CG 3.9Å; K43-M114 HydrophobicContact CD-SD 4.46Å; I44-M114 HydrophobicContact CD1-CB 4.33Å; I44-M114 HydrophobicContact CG1-CB 4.47Å; L110-M114 PolarHBondContact O-N 2.93Å; L111-M114 HydrophobicContact CD2-CE 4.05Å; S112-M114 VanDerWaalsContact C-N 3.32Å; S112-M114 PolarHBondContact O-N 2.83Å
115Q85.4Confident85.6Confident155 Ų15542.5 Ų42.572%0.72424%0.242SC*.THydrogen-bonded Turntrans-88.2-20.3173.6-71.2167.873.100112.8L111 S112 A113L111-Q115 WeakPolarHBondContact O-CG 3.42Å; L111-Q115 PolarHBondContact O-NE2 3.31Å; S112-Q115 PolarHBondContact O-N 2.93Å; S112-Q115 VanDerWaalsContact O-N 3.09Å; A113-Q115 PolarHBondContact O-N 3.06Å
116T83.9Confident85.1Confident25 Ų2546.3 Ų46.315%0.15326%0.26CS..SBendtrans-85.4142.7175.766.80000111.1S112 A113 D118 G119 V120 L125S112-T116 PolarHBondContact O-N 2.89Å; A113-T116 PolarHBondContact O-N 3.23Å; A113-T116 PolarHBondContact O-OG1 3.15Å; T116-D118 VanDerWaalsContact C-N 3.26Å; T116-D118 PolarHBondContact O-N 3.3Å; T116-G119 PolarHBondContact O-N 3.36Å; T116-G119 PolarHBondContact OG1-N 2.85Å; T116-V120 WeakPolarHBondContact CG2-O 3.4Å; T116-V120 PolarHBondContact OG1-N 3.31Å; T116-V120 VanDerWaalsContact OG1-N 3.09Å; T116-V120 PolarHBondContact OG1-O 2.83Å; T116-L125 HydrophobicContact CG2-CD1 4.12Å
117P79.3Confident84.6Confident131 Ų13148.6 Ų48.685%0.85128%0.279SS*.THydrogen-bonded Turntrans-67.6-28.1176.728.7-34.8000112.6G119P117-G119 VanDerWaalsContact C-N 3.3Å; P117-G119 PolarHBondContact O-N 2.95Å
118D78Confident83.8Confident115 Ų11554.8 Ų54.862%0.61531%0.306SS*.THydrogen-bonded Turntrans-82.1-5.6-179.2-52.6-65.6000113.5T116 V120T116-D118 VanDerWaalsContact C-N 3.26Å; T116-D118 PolarHBondContact O-N 3.3Å; D118-V120 HydrophobicContact CB-CG2 4.5Å; D118-V120 PolarHBondContact O-N 3.28Å
119G80.2Confident83.2Confident3 Ų359.1 Ų59.13%0.03132%0.322CS..SBendtrans65.722.9-177.300000114.5K43 N45 T116 P117K43-G119 WeakPolarHBondContact O-CA 3.46Å; N45-G119 PolarHBondContact N-O 3.45Å; T116-G119 PolarHBondContact O-N 3.36Å; T116-G119 PolarHBondContact OG1-N 2.85Å; P117-G119 VanDerWaalsContact C-N 3.3Å; P117-G119 PolarHBondContact O-N 2.95Å
120V82.7Confident82.6Confident22 Ų2264.9 Ų64.913%0.13335%0.348CS..  trans-113.8122.8-178.4176.90000109N45 T116 D118 A122 F124 L125N45-V120 HydrophobicContact CB-CG2 4.35Å; T116-V120 WeakPolarHBondContact CG2-O 3.4Å; T116-V120 PolarHBondContact OG1-N 3.31Å; T116-V120 VanDerWaalsContact OG1-N 3.09Å; T116-V120 PolarHBondContact OG1-O 2.83Å; D118-V120 HydrophobicContact CB-CG2 4.5Å; D118-V120 PolarHBondContact O-N 3.28Å; V120-A122 PolarHBondContact O-N 3.05Å; V120-F124 HydrophobicContact CG1-CB 3.99Å; V120-F124 HydrophobicContact CG1-CD2 4.33Å; V120-L125 HydrophobicContact CB-CD2 4.12Å; V120-L125 HydrophobicContact CB-CG 4.45Å; V120-L125 HydrophobicContact CG1-CD2 3.77Å; V120-L125 HydrophobicContact CG1-CG 4.07Å
121P84.3Confident82.2Confident0 Ų069.9 Ų69.90%037%0.372CS..  trans-50.9139.7-178.6-20.922.9000113.9M49 L109 A113 A123 F124 L125M49-P121 HydrophobicContact SD-CG 3.47Å; M49-P121 WeakPolarHBondContact SD-CG 3.27Å; L109-P121 HydrophobicContact CD1-CB 3.4Å; L109-P121 VanDerWaalsContact CD1-CB 3.4Å; L109-P121 HydrophobicContact CD1-CG 3.96Å; L109-P121 HydrophobicContact CG-CB 3.73Å; L109-P121 HydrophobicContact CG-CG 3.72Å; L109-P121 WeakPolarHBondContact O-CB 3.44Å; L109-P121 WeakPolarHBondContact O-CG 3.5Å; A113-P121 HydrophobicContact CB-CB 4.43Å; A113-P121 HydrophobicContact CB-CG 3.88Å; P121-A123 PolarHBondContact O-N 2.88Å; P121-A123 VanDerWaalsContact O-N 3.16Å; P121-F124 HydrophobicContact CB-CD2 4.16Å; P121-F124 HydrophobicContact CB-CE2 4.44Å; P121-F124 HydrophobicContact CB-CG 4.39Å; P121-F124 HydrophobicContact CG-CD2 3.67Å; P121-F124 HydrophobicContact CG-CE2 3.66Å; P121-F124 HydrophobicContact CG-CG 4.38Å; P121-F124 HydrophobicContact CG-CZ 4.38Å; P121-F124 WeakPolarHBondContact O-CB 3.28Å; P121-F124 PolarHBondContact O-N 3.17Å; P121-L125 PolarHBondContact O-N 3.31Å
122A81.7Confident81.5Confident45 Ų4573.6 Ų73.637%0.37239%0.391SS..Hα-helixtrans-57.4-35.4-178.800000112.3S112 V120 F124 L125 E126S112-A122 VanDerWaalsContact OG-CB 3.27Å; S112-A122 WeakPolarHBondContact OG-CB 3.49Å; S112-A122 PolarHBondContact OG-N 3.16Å; V120-A122 PolarHBondContact O-N 3.05Å; A122-F124 VanDerWaalsContact C-N 3.27Å; A122-F124 PolarHBondContact O-N 3.13Å; A122-L125 PolarHBondContact O-N 2.97Å; A122-L125 VanDerWaalsContact O-N 3.13Å; A122-E126 WeakPolarHBondContact O-CB 3.29Å; A122-E126 PolarHBondContact O-N 2.91Å
123A83.2Confident81.2Confident51 Ų5174.8 Ų74.842%0.42140%0.402SS..Hα-helixtrans-62.7-27.717500000113.7L109 P121 A127L109-A123 HydrophobicContact CD1-CB 3.88Å; P121-A123 PolarHBondContact O-N 2.88Å; P121-A123 VanDerWaalsContact O-N 3.16Å; A123-A127 WeakPolarHBondContact O-CB 3.35Å; A123-A127 PolarHBondContact O-N 3.32Å
124F83.3Confident80.8Confident33 Ų3381 Ų8115%0.14543%0.429CS..Hα-helixtrans-81.8-33.6172-62.7-19.2000112.3S48 M49 W52 L109 V120 P121 A122 E126 K128S48-F124 WeakPolarHBondContact O-CE2 3.4Å; M49-F124 HydrophobicContact SD-CE2 3.83Å; M49-F124 HydrophobicContact SD-CZ 4.3Å; W52-F124 HydrophobicContact CB-CE1 3.82Å; W52-F124 HydrophobicContact CB-CZ 3.47Å; W52-F124 VanDerWaalsContact CB-CZ 3.47Å; W52-F124 AromaticContact CD1-CE1 3.74Å; W52-F124 AromaticContact CG-CE1 3.92Å; W52-F124 HydrophobicContact CG-CE1 3.92Å; W52-F124 AromaticContact CG-CZ 3.84Å; W52-F124 HydrophobicContact CG-CZ 3.84Å; L109-F124 HydrophobicContact CD1-CE1 4.38Å; L109-F124 HydrophobicContact CD2-CE1 4.03Å; L109-F124 HydrophobicContact CD2-CE2 4.5Å; L109-F124 HydrophobicContact CD2-CZ 3.69Å; L109-F124 HydrophobicContact CG-CZ 4.36Å; V120-F124 HydrophobicContact CG1-CB 3.99Å; V120-F124 HydrophobicContact CG1-CD2 4.33Å; P121-F124 HydrophobicContact CB-CD2 4.16Å; P121-F124 HydrophobicContact CB-CE2 4.44Å; P121-F124 HydrophobicContact CB-CG 4.39Å; P121-F124 HydrophobicContact CG-CD2 3.67Å; P121-F124 HydrophobicContact CG-CE2 3.66Å; P121-F124 HydrophobicContact CG-CG 4.38Å; P121-F124 HydrophobicContact CG-CZ 4.38Å; P121-F124 WeakPolarHBondContact O-CB 3.28Å; P121-F124 PolarHBondContact O-N 3.17Å; A122-F124 VanDerWaalsContact C-N 3.27Å; A122-F124 PolarHBondContact O-N 3.13Å; F124-E126 VanDerWaalsContact C-N 3.33Å; F124-K128 VanDerWaalsContact O-CB 3.23Å; F124-K128 WeakPolarHBondContact O-CB 3.24Å; F124-K128 WeakPolarHBondContact O-CG 3.46Å; F124-K128 PolarHBondContact O-N 3.32Å
125L79.5Confident80.4Confident77 Ų7784.9 Ų84.940%0.40344%0.441SS..Hα-helixtrans-64.7-42173.1-61.5178.5000110.3T116 V120 P121 A122 K129T116-L125 HydrophobicContact CG2-CD1 4.12Å; V120-L125 HydrophobicContact CB-CD2 4.12Å; V120-L125 HydrophobicContact CB-CG 4.45Å; V120-L125 HydrophobicContact CG1-CD2 3.77Å; V120-L125 HydrophobicContact CG1-CG 4.07Å; P121-L125 PolarHBondContact O-N 3.31Å; A122-L125 PolarHBondContact O-N 2.97Å; A122-L125 VanDerWaalsContact O-N 3.13Å; L125-K129 WeakPolarHBondContact O-CB 3.08Å; L125-K129 PolarHBondContact O-N 3.06Å
126E80.8Confident80.2Confident141 Ų14181.9 Ų81.966%0.65943%0.427SS*.Hα-helixtrans-67.2-52.3174.5-173.3161-132.200111.8A122 F124 K128 K129 E130A122-E126 WeakPolarHBondContact O-CB 3.29Å; A122-E126 PolarHBondContact O-N 2.91Å; F124-E126 VanDerWaalsContact C-N 3.33Å; E126-K128 VanDerWaalsContact C-N 3.35Å; E126-K128 PolarHBondContact O-N 3.06Å; E126-K129 CarbonylContact O-C 3.57Å; E126-K129 WeakPolarHBondContact O-CB 3.49Å; E126-K129 PolarHBondContact O-N 2.97Å; E126-K129 VanDerWaalsContact O-N 3.1Å; E126-E130 WeakPolarHBondContact O-CB 3.27Å; E126-E130 PolarHBondContact O-N 2.98Å
127A80.2Confident80.2Confident49 Ų4987.1 Ų87.141%0.40545%0.449SS..Hα-helixtrans-61.7-37.8178.800000113.1A123 E130 E131A123-A127 WeakPolarHBondContact O-CB 3.35Å; A123-A127 PolarHBondContact O-N 3.32Å; A127-E130 PolarHBondContact O-N 3.06Å; A127-E131 WeakPolarHBondContact O-CB 3.09Å; A127-E131 PolarHBondContact O-N 2.76Å
128K75.5Confident80.5Confident131 Ų13185.1 Ų85.157%0.5743%0.432SS*.Hα-helixtrans-70.4-37.3173.2-75.4-175.2174.6-175.90112.1F124 E126 E130 E131 I132F124-K128 VanDerWaalsContact O-CB 3.23Å; F124-K128 WeakPolarHBondContact O-CB 3.24Å; F124-K128 WeakPolarHBondContact O-CG 3.46Å; F124-K128 PolarHBondContact O-N 3.32Å; E126-K128 VanDerWaalsContact C-N 3.35Å; E126-K128 PolarHBondContact O-N 3.06Å; K128-E130 VanDerWaalsContact C-N 3.31Å; K128-E131 PolarHBondContact O-N 2.79Å; K128-I132 VanDerWaalsContact O-CB 3.28Å; K128-I132 WeakPolarHBondContact O-CB 3.49Å; K128-I132 WeakPolarHBondContact O-CD1 3.38Å; K128-I132 WeakPolarHBondContact O-CG1 3.29Å; K128-I132 PolarHBondContact O-N 3Å
129K78.1Confident80.9Confident160 Ų16084.6 Ų84.670%0.69643%0.425SS*.Hα-helixtrans-63.1-39.3173.9178.7-175.4174.4-167.50111.1L125 E126 A133L125-K129 WeakPolarHBondContact O-CB 3.08Å; L125-K129 PolarHBondContact O-N 3.06Å; E126-K129 CarbonylContact O-C 3.57Å; E126-K129 WeakPolarHBondContact O-CB 3.49Å; E126-K129 PolarHBondContact O-N 2.97Å; E126-K129 VanDerWaalsContact O-N 3.1Å; K129-A133 WeakPolarHBondContact O-CB 3.37Å; K129-A133 PolarHBondContact O-N 3.06Å
130E78.3Confident81.2Confident138 Ų13890.5 Ų90.565%0.64545%0.45SS*.Hα-helixtrans-68-46.9174.1-169.6-176.9-174.900111.8E126 A127 K128 I132 A133 K134E126-E130 WeakPolarHBondContact O-CB 3.27Å; E126-E130 PolarHBondContact O-N 2.98Å; A127-E130 PolarHBondContact O-N 3.06Å; K128-E130 VanDerWaalsContact C-N 3.31Å; E130-I132 VanDerWaalsContact C-N 3.33Å; E130-I132 PolarHBondContact O-N 2.83Å; E130-A133 PolarHBondContact O-N 3.44Å; E130-K134 WeakPolarHBondContact O-CB 3.34Å; E130-K134 PolarHBondContact O-N 2.7Å
131E79.6Confident81.3Confident105 Ų10596 Ų9649%0.49147%0.473SS..Hα-helixtrans-59.1-43.4176.1-168-163.3147.700111.6A127 K128 R135A127-E131 WeakPolarHBondContact O-CB 3.09Å; A127-E131 PolarHBondContact O-N 2.76Å; K128-E131 PolarHBondContact O-N 2.79Å; E131-R135 WeakPolarHBondContact O-CB 3.38Å; E131-R135 PolarHBondContact O-N 2.84Å; E131-R135 IonicContact OE1-CZ 3.83Å; E131-R135 IonicContact OE1-NH2 3.81Å; E131-R135 PolarHBondContact OE1-NH2 3.36Å
132I75.2Confident81.4Confident89 Ų89100.1 Ų100.146%0.45650%0.498SS..Hα-helixtrans-68.1-43.4176.8-68.9165.5000110.8K128 E130 R135 Q136K128-I132 VanDerWaalsContact O-CB 3.28Å; K128-I132 WeakPolarHBondContact O-CB 3.49Å; K128-I132 WeakPolarHBondContact O-CD1 3.38Å; K128-I132 WeakPolarHBondContact O-CG1 3.29Å; K128-I132 PolarHBondContact O-N 3Å; E130-I132 VanDerWaalsContact C-N 3.33Å; E130-I132 PolarHBondContact O-N 2.83Å; I132-R135 PolarHBondContact O-N 3.19Å; I132-Q136 HydrophobicContact CG2-CG 4.49Å; I132-Q136 WeakPolarHBondContact O-CB 3.42Å; I132-Q136 VanDerWaalsContact O-CG 3.29Å; I132-Q136 WeakPolarHBondContact O-CG 3.49Å; I132-Q136 PolarHBondContact O-N 3.17Å
133A80.5Confident81.7Confident52 Ų52103.3 Ų103.343%0.4351%0.508SS..Hα-helixtrans-62-45.6177.800000111.4K129 E130 Q136 E137K129-A133 WeakPolarHBondContact O-CB 3.37Å; K129-A133 PolarHBondContact O-N 3.06Å; E130-A133 PolarHBondContact O-N 3.44Å; A133-Q136 PolarHBondContact O-N 3.36Å; A133-E137 PolarHBondContact O-N 3.08Å
134K81.8Confident81.9Confident130 Ų130104.3 Ų104.357%0.56550%0.504SS*.Hα-helixtrans-63-46.4175.6-176.6176.3178.9177.80111.8E130 Q136 E137 D138E130-K134 WeakPolarHBondContact O-CB 3.34Å; E130-K134 PolarHBondContact O-N 2.7Å; K134-Q136 VanDerWaalsContact C-N 3.28Å; K134-Q136 PolarHBondContact O-N 3.43Å; K134-E137 WeakPolarHBondContact O-CA 3.33Å; K134-E137 WeakPolarHBondContact O-CB 3.39Å; K134-E137 PolarHBondContact O-N 2.95Å; K134-D138 PolarHBondContact O-N 2.68Å
135R77.3Confident81.9Confident131 Ų131107.1 Ų107.149%0.49452%0.518SS..Hα-helixtrans-59.8-39.7175.8-174.8175.2-61.6150.514111.6E131 I132 E137 D138 E139E131-R135 WeakPolarHBondContact O-CB 3.38Å; E131-R135 PolarHBondContact O-N 2.84Å; E131-R135 IonicContact OE1-CZ 3.83Å; E131-R135 IonicContact OE1-NH2 3.81Å; E131-R135 PolarHBondContact OE1-NH2 3.36Å; I132-R135 PolarHBondContact O-N 3.19Å; R135-E137 VanDerWaalsContact C-N 3.32Å; R135-E137 PolarHBondContact O-N 3.33Å; R135-D138 PolarHBondContact O-N 3.33Å; R135-E139 HydrophobicContact CG-CG 4.39Å; R135-E139 WeakPolarHBondContact CG-OE1 3.29Å; R135-E139 VanDerWaalsContact O-CB 3.27Å; R135-E139 WeakPolarHBondContact O-CB 3.3Å; R135-E139 VanDerWaalsContact O-CG 3.23Å; R135-E139 WeakPolarHBondContact O-CG 3.37Å; R135-E139 PolarHBondContact O-N 3.01Å
136Q81.5Confident82.2Confident91 Ų91110.5 Ų110.543%0.42553%0.526SS..Hα-helixtrans-66.8-30.2173.9-74.1179.818.400113.2I132 A133 K134 K140I132-Q136 HydrophobicContact CG2-CG 4.49Å; I132-Q136 WeakPolarHBondContact O-CB 3.42Å; I132-Q136 VanDerWaalsContact O-CG 3.29Å; I132-Q136 WeakPolarHBondContact O-CG 3.49Å; I132-Q136 PolarHBondContact O-N 3.17Å; A133-Q136 PolarHBondContact O-N 3.36Å; K134-Q136 VanDerWaalsContact C-N 3.28Å; K134-Q136 PolarHBondContact O-N 3.43Å; Q136-K140 WeakPolarHBondContact O-CB 3.25Å; Q136-K140 WeakPolarHBondContact O-CD 3.46Å; Q136-K140 WeakPolarHBondContact O-CE 3.47Å; Q136-K140 WeakPolarHBondContact O-CG 3.24Å; Q136-K140 PolarHBondContact O-N 2.66Å
137E83.3Confident82.5Confident135 Ų135110.9 Ų110.963%0.63152%0.521SS*.Hα-helixtrans-72.3-47.6173.5-175.2167.3-144.500111.4A133 K134 R135 E139 K140 F141A133-E137 PolarHBondContact O-N 3.08Å; K134-E137 WeakPolarHBondContact O-CA 3.33Å; K134-E137 WeakPolarHBondContact O-CB 3.39Å; K134-E137 PolarHBondContact O-N 2.95Å; R135-E137 VanDerWaalsContact C-N 3.32Å; R135-E137 PolarHBondContact O-N 3.33Å; E137-E139 VanDerWaalsContact C-N 3.33Å; E137-E139 PolarHBondContact O-N 2.95Å; E137-K140 PolarHBondContact O-N 2.98Å; E137-F141 WeakPolarHBondContact O-CB 3.5Å; E137-F141 PolarHBondContact O-N 2.77Å
138D85.1Confident82.7Confident89 Ų89115 Ų11548%0.47653%0.526SS..Hα-helixtrans-57.5-44.2173.1-71.1-37.5000111K134 R135 F141 V142K134-D138 PolarHBondContact O-N 2.68Å; R135-D138 PolarHBondContact O-N 3.33Å; D138-F141 PolarHBondContact O-N 3.5Å; D138-V142 WeakPolarHBondContact O-CB 3.45Å; D138-V142 VanDerWaalsContact O-CG2 3.32Å; D138-V142 WeakPolarHBondContact O-CG2 3.35Å; D138-V142 PolarHBondContact O-N 3.01Å
139E86.2Confident83Confident104 Ų104114.4 Ų114.449%0.48653%0.525SS..Hα-helixtrans-63.9-43.5175.1-77.7172-167.600112.4R135 E137 V142 L143R135-E139 HydrophobicContact CG-CG 4.39Å; R135-E139 WeakPolarHBondContact CG-OE1 3.29Å; R135-E139 VanDerWaalsContact O-CB 3.27Å; R135-E139 WeakPolarHBondContact O-CB 3.3Å; R135-E139 VanDerWaalsContact O-CG 3.23Å; R135-E139 WeakPolarHBondContact O-CG 3.37Å; R135-E139 PolarHBondContact O-N 3.01Å; E137-E139 VanDerWaalsContact C-N 3.33Å; E137-E139 PolarHBondContact O-N 2.95Å; E139-V142 PolarHBondContact O-N 3.45Å; E139-L143 VanDerWaalsContact O-CB 3.3Å; E139-L143 WeakPolarHBondContact O-CB 3.46Å; E139-L143 VanDerWaalsContact O-CG 3.23Å; E139-L143 WeakPolarHBondContact O-CG 2.94Å; E139-L143 PolarHBondContact O-N 3.26Å
140K87.7Confident83.2Confident128 Ų128110.3 Ų110.356%0.55751%0.511SS*.Hα-helixtrans-62.6-41.8174.4-75.7160.8-162.4159.60111.4Q136 E137 L143 E144Q136-K140 WeakPolarHBondContact O-CB 3.25Å; Q136-K140 WeakPolarHBondContact O-CD 3.46Å; Q136-K140 WeakPolarHBondContact O-CE 3.47Å; Q136-K140 WeakPolarHBondContact O-CG 3.24Å; Q136-K140 PolarHBondContact O-N 2.66Å; E137-K140 PolarHBondContact O-N 2.98Å; K140-L143 PolarHBondContact O-N 3.01Å; K140-E144 VanDerWaalsContact O-CB 3.29Å; K140-E144 WeakPolarHBondContact O-CB 3.4Å; K140-E144 PolarHBondContact O-N 3.43Å
141F84.4Confident83.4Confident138 Ų138106.9 Ų106.961%0.60550%0.495SS*.Hα-helixtrans-63.9-45.5177.5-177.7-96.7000111.4E137 D138 L143 E144 M145E137-F141 WeakPolarHBondContact O-CB 3.5Å; E137-F141 PolarHBondContact O-N 2.77Å; D138-F141 PolarHBondContact O-N 3.5Å; F141-L143 PolarHBondContact O-N 2.91Å; F141-E144 PolarHBondContact O-N 2.9Å; F141-M145 HydrophobicContact CD1-CG 4.24Å; F141-M145 HydrophobicContact CE1-CG 3.87Å; F141-M145 HydrophobicContact CE2-CG 4.37Å; F141-M145 HydrophobicContact CZ-CG 3.94Å; F141-M145 HydrophobicContact CZ-SD 4.37Å; F141-M145 WeakPolarHBondContact O-CB 3.2Å; F141-M145 VanDerWaalsContact O-CG 3.32Å; F141-M145 WeakPolarHBondContact O-CG 3.28Å; F141-M145 PolarHBondContact O-N 3.17Å
142V86Confident83.4Confident86 Ų86107.6 Ų107.652%0.52150%0.502SS..Hα-helixtrans-64-39.5175.1169.70000111.8D138 E139 R146D138-V142 WeakPolarHBondContact O-CB 3.45Å; D138-V142 VanDerWaalsContact O-CG2 3.32Å; D138-V142 WeakPolarHBondContact O-CG2 3.35Å; D138-V142 PolarHBondContact O-N 3.01Å; E139-V142 PolarHBondContact O-N 3.45Å; V142-R146 VanDerWaalsContact O-CB 3.25Å; V142-R146 WeakPolarHBondContact O-CB 3.34Å; V142-R146 PolarHBondContact O-N 3.04Å
143L88.3Confident83.6Confident111 Ų111107.7 Ų107.758%0.58150%0.502SS*.Hα-helixtrans-67.4-41.1175.9-75.8168.1000112.5E139 K140 F141 R146 R147E139-L143 VanDerWaalsContact O-CB 3.3Å; E139-L143 WeakPolarHBondContact O-CB 3.46Å; E139-L143 VanDerWaalsContact O-CG 3.23Å; E139-L143 WeakPolarHBondContact O-CG 2.94Å; E139-L143 PolarHBondContact O-N 3.26Å; K140-L143 PolarHBondContact O-N 3.01Å; F141-L143 PolarHBondContact O-N 2.91Å; L143-R146 PolarHBondContact O-N 3.48Å; L143-R147 WeakPolarHBondContact O-CB 3.23Å; L143-R147 PolarHBondContact O-N 3.33Å
144E87.9Confident83.2Confident73 Ų73111.2 Ų111.234%0.34151%0.51SS..Hα-helixtrans-72-37.4177.6177.154.2-152.900111.7K140 F141 R147 R148K140-E144 VanDerWaalsContact O-CB 3.29Å; K140-E144 WeakPolarHBondContact O-CB 3.4Å; K140-E144 PolarHBondContact O-N 3.43Å; F141-E144 PolarHBondContact O-N 2.9Å; E144-R147 WeakPolarHBondContact O-CB 3.4Å; E144-R147 PolarHBondContact O-N 3.09Å; E144-R147 WeakPolarHBondContact OE2-CD 3.46Å; E144-R147 IonicContact OE2-NH1 3.12Å; E144-R148 WeakPolarHBondContact O-CB 3.37Å; E144-R148 PolarHBondContact O-N 3.36Å; E144-R148 IonicContact OE1-CZ 3.04Å; E144-R148 IonicContact OE1-NE 3.85Å; E144-R148 IonicContact OE1-NH2 3.85Å; E144-R148 PolarHBondContact OE1-NH2 3.28Å
145M83.1Confident82.9Confident91 Ų91110.5 Ų110.545%0.44851%0.507SS..Hα-helixtrans-62.1-46169.8-77.1-63.2-65.700111.5F141 R147 R148 E149F141-M145 HydrophobicContact CD1-CG 4.24Å; F141-M145 HydrophobicContact CE1-CG 3.87Å; F141-M145 HydrophobicContact CE2-CG 4.37Å; F141-M145 HydrophobicContact CZ-CG 3.94Å; F141-M145 HydrophobicContact CZ-SD 4.37Å; F141-M145 WeakPolarHBondContact O-CB 3.2Å; F141-M145 VanDerWaalsContact O-CG 3.32Å; F141-M145 WeakPolarHBondContact O-CG 3.28Å; F141-M145 PolarHBondContact O-N 3.17Å; M145-R147 VanDerWaalsContact C-N 3.31Å; M145-R147 PolarHBondContact O-N 2.93Å; M145-R148 PolarHBondContact O-N 3.4Å; M145-E149 WeakPolarHBondContact O-CB 3.48Å; M145-E149 PolarHBondContact O-N 3.42Å
146R84.8Confident82.5Confident149 Ų149106 Ų10656%0.56250%0.501SS*.Hα-helixtrans-62.2-36.3173.5177.8175.7-71.4-1800.3112V142 L143 N150V142-R146 VanDerWaalsContact O-CB 3.25Å; V142-R146 WeakPolarHBondContact O-CB 3.34Å; V142-R146 PolarHBondContact O-N 3.04Å; L143-R146 PolarHBondContact O-N 3.48Å; R146-N150 WeakPolarHBondContact O-CB 3.5Å; R146-N150 PolarHBondContact O-N 3.26Å; R146-N150 PolarHBondContact O-ND2 2.93Å
147R87.7Confident81.7Confident149 Ų149105.2 Ų105.256%0.56250%0.502SS*.Hα-helixtrans-63.3-49.4174-178.2-161.7178.9150.54.9110.5L143 E144 M145 E149 N150 E151L143-R147 WeakPolarHBondContact O-CB 3.23Å; L143-R147 PolarHBondContact O-N 3.33Å; E144-R147 WeakPolarHBondContact O-CB 3.4Å; E144-R147 PolarHBondContact O-N 3.09Å; E144-R147 WeakPolarHBondContact OE2-CD 3.46Å; E144-R147 IonicContact OE2-NH1 3.12Å; M145-R147 VanDerWaalsContact C-N 3.31Å; M145-R147 PolarHBondContact O-N 2.93Å; R147-E149 VanDerWaalsContact C-N 3.32Å; R147-E149 PolarHBondContact O-N 3.49Å; R147-N150 PolarHBondContact O-N 3.09Å; R147-N150 VanDerWaalsContact O-N 3.16Å; R147-E151 IonicContact CZ-OE1 2.67Å; R147-E151 IonicContact NE-OE1 2.71Å; R147-E151 PolarHBondContact NE-OE1 3.41Å; R147-E151 IonicContact NH2-OE1 2.58Å; R147-E151 PolarHBondContact O-N 3.08Å
148R83.7Confident80.6Confident134 Ų134101.6 Ų101.651%0.50649%0.492SS..Hα-helixtrans-60.3-41179.7-166.3168.7-60.8166.77.2112E144 M145 E151 L152E144-R148 WeakPolarHBondContact O-CB 3.37Å; E144-R148 PolarHBondContact O-N 3.36Å; E144-R148 IonicContact OE1-CZ 3.04Å; E144-R148 IonicContact OE1-NE 3.85Å; E144-R148 IonicContact OE1-NH2 3.85Å; E144-R148 PolarHBondContact OE1-NH2 3.28Å; M145-R148 PolarHBondContact O-N 3.4Å; R148-E151 PolarHBondContact O-N 2.95Å; R148-L152 VanDerWaalsContact O-CG 3.31Å; R148-L152 WeakPolarHBondContact O-CG 3.3Å; R148-L152 PolarHBondContact O-N 2.89Å
149E81.7Confident79.2Confident119 Ų119106.5 Ų106.556%0.55650%0.504SS*.Hα-helixtrans-61-50.4171.1-177.8178.1-144.400111.9M145 R147 E151 L152 I153M145-E149 WeakPolarHBondContact O-CB 3.48Å; M145-E149 PolarHBondContact O-N 3.42Å; R147-E149 VanDerWaalsContact C-N 3.32Å; R147-E149 PolarHBondContact O-N 3.49Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E149-E151 PolarHBondContact O-N 3.23Å; E149-L152 WeakPolarHBondContact O-CB 3.47Å; E149-L152 PolarHBondContact O-N 3.5Å; E149-L152 VanDerWaalsContact O-N 3.16Å; E149-I153 HydrophobicContact CG-CD1 4.03Å; E149-I153 WeakPolarHBondContact O-CG1 3.2Å; E149-I153 PolarHBondContact O-N 3.43Å
150N82.2Confident77.8Confident75 Ų75106.1 Ų106.140%0.40151%0.509SS..Hα-helixtrans-61.4-38.1177.1-82.5-73000112.8R146 R147 I153 Q154R146-N150 WeakPolarHBondContact O-CB 3.5Å; R146-N150 PolarHBondContact O-N 3.26Å; R146-N150 PolarHBondContact O-ND2 2.93Å; R147-N150 PolarHBondContact O-N 3.09Å; R147-N150 VanDerWaalsContact O-N 3.16Å; N150-I153 PolarHBondContact O-N 2.82Å; N150-Q154 WeakPolarHBondContact O-CG 3.41Å; N150-Q154 PolarHBondContact O-N 3.17Å
151E82.8Confident76.4Confident66 Ų66102.6 Ų102.631%0.30850%0.5SS..Hα-helixtrans-66.6-37.9174.6-77.7-167.5-14800112.3R147 R148 E149 Q154 K155R147-E151 IonicContact CZ-OE1 2.67Å; R147-E151 IonicContact NE-OE1 2.71Å; R147-E151 PolarHBondContact NE-OE1 3.41Å; R147-E151 IonicContact NH2-OE1 2.58Å; R147-E151 PolarHBondContact O-N 3.08Å; R148-E151 PolarHBondContact O-N 2.95Å; E149-E151 VanDerWaalsContact C-N 3.32Å; E149-E151 PolarHBondContact O-N 3.23Å; E151-Q154 PolarHBondContact O-N 2.75Å; E151-K155 VanDerWaalsContact O-CB 3.32Å; E151-K155 WeakPolarHBondContact O-CB 3.4Å; E151-K155 VanDerWaalsContact O-CD 3.27Å; E151-K155 WeakPolarHBondContact O-CD 3.45Å; E151-K155 WeakPolarHBondContact O-CG 3.48Å; E151-K155 PolarHBondContact O-N 3.02Å; E151-K155 IonicContact OE2-NZ 2.72Å; E151-K155 PolarHBondContact OE2-NZ 3.09Å
152L80.6Confident75Confident119 Ų119100.7 Ų100.762%0.62350%0.496SS*.Hα-helixtrans-65.2-42.1172.9-74.9165.6000111.4R148 E149 K155 G156R148-L152 VanDerWaalsContact O-CG 3.31Å; R148-L152 WeakPolarHBondContact O-CG 3.3Å; R148-L152 PolarHBondContact O-N 2.89Å; E149-L152 WeakPolarHBondContact O-CB 3.47Å; E149-L152 PolarHBondContact O-N 3.5Å; E149-L152 VanDerWaalsContact O-N 3.16Å; L152-K155 PolarHBondContact O-N 3.28Å; L152-G156 PolarHBondContact O-N 3.35Å
153I78.2Confident73.5Confident92 Ų92102 Ų10247%0.47250%0.5SS..Hα-helixtrans-60.5-48.6174.7-68165.4000110.4E149 N150 K155 G156 T157E149-I153 HydrophobicContact CG-CD1 4.03Å; E149-I153 WeakPolarHBondContact O-CG1 3.2Å; E149-I153 PolarHBondContact O-N 3.43Å; N150-I153 PolarHBondContact O-N 2.82Å; I153-K155 PolarHBondContact O-N 3.32Å; I153-G156 WeakPolarHBondContact O-CA 3.47Å; I153-G156 PolarHBondContact O-N 2.96Å; I153-T157 HydrophobicContact CG2-CG2 4.42Å; I153-T157 WeakPolarHBondContact O-CG2 3.46Å; I153-T157 PolarHBondContact O-N 3.28Å; I153-T157 PolarHBondContact O-OG1 3.47Å
154Q72.8Confident72Confident126 Ų126100.1 Ų100.159%0.58950%0.496SS*.Hα-helixtrans-63.8-40.2178.2-72.8-178.52400113.1N150 E151 G156 T157 S158N150-Q154 WeakPolarHBondContact O-CG 3.41Å; N150-Q154 PolarHBondContact O-N 3.17Å; E151-Q154 PolarHBondContact O-N 2.75Å; Q154-G156 VanDerWaalsContact C-N 3.28Å; Q154-G156 PolarHBondContact O-N 3.43Å; Q154-T157 PolarHBondContact O-OG1 2.71Å; Q154-S158 VanDerWaalsContact O-CB 3.27Å; Q154-S158 WeakPolarHBondContact O-CB 3.44Å; Q154-S158 PolarHBondContact O-N 3Å; Q154-S158 PolarHBondContact O-OG 3.04Å
155K74.9Confident70.4Confident115 Ų115100 Ų10050%0.550%0.504SS..Hα-helixtrans-67.6-29.8175.3-70.3161.1-167.4162.40111.6E151 L152 I153 R159E151-K155 VanDerWaalsContact O-CB 3.32Å; E151-K155 WeakPolarHBondContact O-CB 3.4Å; E151-K155 VanDerWaalsContact O-CD 3.27Å; E151-K155 WeakPolarHBondContact O-CD 3.45Å; E151-K155 WeakPolarHBondContact O-CG 3.48Å; E151-K155 PolarHBondContact O-N 3.02Å; E151-K155 IonicContact OE2-NZ 2.72Å; E151-K155 PolarHBondContact OE2-NZ 3.09Å; L152-K155 PolarHBondContact O-N 3.28Å; I153-K155 PolarHBondContact O-N 3.32Å; K155-R159 WeakPolarHBondContact O-CG 3.18Å; K155-R159 PolarHBondContact O-N 3.48Å
156G70.7Confident68.9Low35 Ų35102.9 Ų102.936%0.36152%0.516SS..Hα-helixtrans-69.7-54.9170.600000112.9L152 I153 Q154 S158 R159 T160L152-G156 PolarHBondContact O-N 3.35Å; I153-G156 WeakPolarHBondContact O-CA 3.47Å; I153-G156 PolarHBondContact O-N 2.96Å; Q154-G156 VanDerWaalsContact C-N 3.28Å; Q154-G156 PolarHBondContact O-N 3.43Å; G156-S158 VanDerWaalsContact C-N 3.33Å; G156-S158 PolarHBondContact O-N 2.87Å; G156-R159 PolarHBondContact O-N 3.41Å; G156-R159 VanDerWaalsContact O-N 3.14Å; G156-T160 PolarHBondContact O-N 3.19Å; G156-T160 VanDerWaalsContact O-N 3.14Å
157T63.9Low67.5Low75 Ų75103.1 Ų103.146%0.4652%0.523SS..Hα-helixtrans-60.7-42.4-178.655.40000111.7I153 Q154 R159 T160 S161I153-T157 HydrophobicContact CG2-CG2 4.42Å; I153-T157 WeakPolarHBondContact O-CG2 3.46Å; I153-T157 PolarHBondContact O-N 3.28Å; I153-T157 PolarHBondContact O-OG1 3.47Å; Q154-T157 PolarHBondContact O-OG1 2.71Å; T157-R159 VanDerWaalsContact C-N 3.28Å; T157-R159 PolarHBondContact O-N 2.75Å; T157-T160 WeakPolarHBondContact CA-OG1 3.48Å; T157-T160 PolarHBondContact O-N 2.84Å; T157-T160 PolarHBondContact O-OG1 3.2Å; T157-S161 PolarHBondContact O-N 2.84Å; T157-S161 PolarHBondContact O-OG 2.77Å
158S59.1Low65.7Low60 Ų60103.1 Ų103.142%0.4253%0.531SS..Hα-helixtrans-61.2-33.4177.7-55.60000113Q154 G156 S161 N162Q154-S158 VanDerWaalsContact O-CB 3.27Å; Q154-S158 WeakPolarHBondContact O-CB 3.44Å; Q154-S158 PolarHBondContact O-N 3Å; Q154-S158 PolarHBondContact O-OG 3.04Å; G156-S158 VanDerWaalsContact C-N 3.33Å; G156-S158 PolarHBondContact O-N 2.87Å; S158-S161 WeakPolarHBondContact CA-OG 3.3Å; S158-S161 PolarHBondContact O-OG 3.15Å; S158-S161 VanDerWaalsContact O-OG 3.1Å; S158-N162 WeakPolarHBondContact O-CB 3.3Å; S158-N162 PolarHBondContact O-N 3.2Å; S158-N162 PolarHBondContact O-OD1 3.13Å
159R57.2Low64.2Low192 Ų192104.6 Ų104.673%0.72554%0.544SS*.Hα-helixtrans-69.6-42.8172.7-80.9176.2160.7159.3-4.6111.5K155 G156 T157 L163K155-R159 WeakPolarHBondContact O-CG 3.18Å; K155-R159 PolarHBondContact O-N 3.48Å; G156-R159 PolarHBondContact O-N 3.41Å; G156-R159 VanDerWaalsContact O-N 3.14Å; T157-R159 VanDerWaalsContact C-N 3.28Å; T157-R159 PolarHBondContact O-N 2.75Å; R159-L163 WeakPolarHBondContact O-CB 3.33Å; R159-L163 WeakPolarHBondContact O-CG 3.41Å; R159-L163 PolarHBondContact O-N 3.08Å
160T57.2Low62.8Low95 Ų95106 Ų10658%0.58356%0.555SS**Hα-helixtrans-68.5-37.9177.956.70000113.4G156 T157 S164G156-T160 PolarHBondContact O-N 3.19Å; G156-T160 VanDerWaalsContact O-N 3.14Å; T157-T160 WeakPolarHBondContact CA-OG1 3.48Å; T157-T160 PolarHBondContact O-N 2.84Å; T157-T160 PolarHBondContact O-OG1 3.2Å; T160-S164 VanDerWaalsContact O-CB 3.3Å; T160-S164 WeakPolarHBondContact O-CB 3.3Å; T160-S164 PolarHBondContact O-N 3.47Å
161S57.1Low61.2Low54 Ų54110.4 Ų110.438%0.37857%0.573SS.*Hα-helixtrans-67.6-38.5178.857.40000112.2T157 S158 S165T157-S161 PolarHBondContact O-N 2.84Å; T157-S161 PolarHBondContact O-OG 2.77Å; S158-S161 WeakPolarHBondContact CA-OG 3.3Å; S158-S161 PolarHBondContact O-OG 3.15Å; S158-S161 VanDerWaalsContact O-OG 3.1Å; S161-S165 WeakPolarHBondContact O-CB 3.46Å; S161-S165 PolarHBondContact O-N 3.35Å; S161-S165 VanDerWaalsContact O-N 3.08Å; S161-S165 PolarHBondContact O-OG 2.92Å
162N55.9Low59.7Low98 Ų98117 Ų11752%0.52460%0.601SS.*Hα-helixtrans-73.3-46.8-177.9-65.810.1000110.6S158 S164 S165 E166S158-N162 WeakPolarHBondContact O-CB 3.3Å; S158-N162 PolarHBondContact O-N 3.2Å; S158-N162 PolarHBondContact O-OD1 3.13Å; N162-S164 VanDerWaalsContact C-N 3.27Å; N162-S164 PolarHBondContact O-N 3.19Å; N162-S165 PolarHBondContact O-N 3.35Å; N162-E166 PolarHBondContact O-N 3.02Å; N162-E166 VanDerWaalsContact O-N 3.08Å
163L54.5Low57.8Low113 Ų113122.8 Ų122.859%0.59261%0.614SS**Hα-helixtrans-56.8-39.9173.3-77.8165.4000112.4R159 S165R159-L163 WeakPolarHBondContact O-CB 3.33Å; R159-L163 WeakPolarHBondContact O-CG 3.41Å; R159-L163 PolarHBondContact O-N 3.08Å; L163-S165 VanDerWaalsContact C-N 3.29Å; L163-S165 PolarHBondContact O-N 2.87Å
164S55.5Low56.2Low72 Ų72125.2 Ų125.250%0.50363%0.633SS.*Hα-helixtrans-75.5-12.5176.3-169.10000114.3T160 N162 M168T160-S164 VanDerWaalsContact O-CB 3.3Å; T160-S164 WeakPolarHBondContact O-CB 3.3Å; T160-S164 PolarHBondContact O-N 3.47Å; N162-S164 VanDerWaalsContact C-N 3.27Å; N162-S164 PolarHBondContact O-N 3.19Å; S164-M168 WeakPolarHBondContact O-CG 3.26Å
165S54.7Low54.9Low72 Ų72125 Ų12550%0.50365%0.646SS.*Hα-helixtrans-93.8-36.1179.1-61.80000112.3S161 N162 L163S161-S165 WeakPolarHBondContact O-CB 3.46Å; S161-S165 PolarHBondContact O-N 3.35Å; S161-S165 VanDerWaalsContact O-N 3.08Å; S161-S165 PolarHBondContact O-OG 2.92Å; N162-S165 PolarHBondContact O-N 3.35Å; L163-S165 VanDerWaalsContact C-N 3.29Å; L163-S165 PolarHBondContact O-N 2.87Å
166E52.1Low53.4Low151 Ų151125.5 Ų125.571%0.70666%0.663SS**Hα-helixtrans-69.3-38.9177.7-67.9-174.611300111.9N162 M168N162-E166 PolarHBondContact O-N 3.02Å; N162-E166 VanDerWaalsContact O-N 3.08Å; E166-M168 VanDerWaalsContact C-N 3.25Å; E166-M168 PolarHBondContact O-N 3.23Å
167Q54.2Low52.5Low154 Ų154130 Ų13072%0.7268%0.683SS**THydrogen-bonded Turntrans-72.8-6.8-179.2-71.2-167.5-22.800115.4
168M51.6Low51.5Low148 Ų148135.3 Ų135.373%0.72970%0.7SS**THydrogen-bonded Turntrans-94.5-3.2-177.6-70.1-165.475.500115.3S164 E166S164-M168 WeakPolarHBondContact O-CG 3.26Å; E166-M168 VanDerWaalsContact C-N 3.25Å; E166-M168 PolarHBondContact O-N 3.23Å
169H50.6Low51.1Low166 Ų166138 Ų13877%0.76972%0.719SS**SBendtrans-94.7-15.4-174.8-89.483.8000115.9
170D52.2Low50.4Low149 Ų149136.3 Ų136.380%0.79772%0.724SS**THydrogen-bonded Turntrans-97.917.6-169.1-110.9-43.4000115.6
171H49.9Very low49.6Very low167 Ų167135 Ų13577%0.77373%0.73SS**THydrogen-bonded Turntrans-118.912.5-172.3-63.5-12.8000114.8
172K50.4Low48.8Very low205 Ų205139.2 Ų139.289%0.89175%0.753SS**SBendtrans-120.829-170.7-148.2172.8-175.5175.80115.2
173R41.6Very low48.3Very low240 Ų240138.4 Ų138.491%0.90676%0.76SS**SBendtrans-137.120.6-170.7-143.9176.2-178.6-110.2-0.6118.6
174V43.5Very low47.5Very low143 Ų143141 Ų14187%0.86777%0.769SS**  trans-150.1110.2167.7-89.90000113.1
175S46.2Very low46.9Very low122 Ų122141.6 Ų141.685%0.85377%0.773SS**  trans16955.9153.243.70000113.1V177S175-V177 PolarHBondContact O-N 2.72Å
176S43.9Very low46.3Very low124 Ų124147.1 Ų147.187%0.86779%0.791SS**  trans-87.276.3178.2-169.30000112.4
177V51.8Low45.6Very low129 Ų129148.4 Ų148.478%0.78280%0.797SS**  trans-138.876.4173.2-166.20000113.1S175S175-V177 PolarHBondContact O-N 2.72Å
178K43Very low45.2Very low187 Ų187146 Ų14681%0.81380%0.795SS**  23.3108.8129.3-170.5173.7-175.1173.50118.8
179S49.7Very low44.6Very low118 Ų118146.6 Ų146.683%0.82580%0.796SS**  trans-151.4156.5145.152.60000110.1
180N42.1Very low43.8Very low155 Ų155143.3 Ų143.383%0.82979%0.787SS**  trans-121.6156.4-166.6-630000112.4
181G40.6Very low43.2Very low68 Ų68145.3 Ų145.370%0.70179%0.789SS**  trans127.5109.4173.400000110.7
182V41.5Very low43.1Very low143 Ų143143 Ų14387%0.86779%0.787SS**  cis89.3126.531.5-176.10000113.5
183A43.7Very low42.7Very low80 Ų80139.8 Ų139.866%0.66178%0.78SS**  trans70.2144175.200000116
184E39.3Very low42.5Very low167 Ų167140.3 Ų140.378%0.7878%0.782SS**  cis-164.4162.8-8.7-122.8179.287.500110.8
185S42.9Very low42.3Very low86 Ų86140.9 Ų140.960%0.60178%0.78SS**  trans58.5135.8138.1-59.60000121.5
186E42.5Very low41.6Very low187 Ų187146.5 Ų146.587%0.87478%0.783SS**  cis-147.1178.2-3.9-62.6-152.6122.500111.9
187E37.2Very low41.4Very low179 Ų179145.8 Ų145.884%0.83678%0.778SS**  trans-94.9-159.1165.3-56.7-141.6132.200111.3
188P44.3Very low40.9Very low104 Ų104145.2 Ų145.268%0.67578%0.775SS**  cis-135.5-164-17.835.9-13.9000114.8
189E39.7Very low40.6Very low159 Ų159140.9 Ų140.974%0.74377%0.768SS**  trans87.9167.3148.5-82.9-53.5141.900122.4
190T34.1Very low40.2Very low97 Ų97145.8 Ų145.860%0.59577%0.768SS**  trans-119.2177.7-142.855.50000116.3
191F39.8Very low40.2Very low191 Ų191144.6 Ų144.684%0.83877%0.767SS**  trans106.3139.8162.7-73.9-88.9000121.2
192T48Very low40.2Very low119 Ų119145.6 Ų145.673%0.7377%0.768SS**  trans93.6118.2158.275.30000121.5
193N41.4Very low40Very low138 Ų138144.5 Ų144.574%0.73877%0.767SS**  trans48.9100.7136.3-69-45.3000121.6
194R37.6Very low40Very low250 Ų250146.7 Ų146.794%0.94378%0.775SS**  -162.2141.694.2-112.3173.2169.3140.5-3.5113.2
195N38.6Very low40.2Very low156 Ų156143.4 Ų143.483%0.83478%0.776SS**  trans-89.2126.6-171.8-65-27.3000113.5
196R32.6Very low40.2Very low240 Ų240145 Ų14591%0.90678%0.784SS**  -158.2122.4118.4-139.9170-170.8159.93.9110.4
197S39.9Very low40.6Very low109 Ų109144.8 Ų144.876%0.76278%0.783SS**  trans-64137.6-172.1-390000111.6
198T40.3Very low41.2Very low117 Ų117141.5 Ų141.572%0.71878%0.778SS**  cis73.397.533.275.10000116.2
199S37.5Very low41Very low96 Ų96142.4 Ų142.467%0.67178%0.784SS**  trans67.2143.3140.969.50000118.2
200R39.8Very low41.1Very low221 Ų221141.6 Ų141.683%0.83479%0.789SS**  -169.4147.364.7-83.2175.9178.7-146.2-6.2114.1
201T43.7Very low41.3Very low129 Ų129143 Ų14379%0.79180%0.798SS**  trans52.7117.3141.861.60000123.1
202A39.4Very low41.2Very low89 Ų89139.1 Ų139.174%0.73679%0.79SS**  77111.9120.300000122.8
203S37.5Very low41.1Very low121 Ų121140.2 Ų140.285%0.84679%0.79SS**  trans77.9156.6135.7-64.80000120.7
204P43.2Very low41.1Very low125 Ų125141.9 Ų141.981%0.81279%0.793SS**  trans-125.6159.3-150.741.4-27.6000116.6
205A44.7Very low41.2Very low99 Ų99134.4 Ų134.482%0.81878%0.78SS**  trans-169.3149146.700000111.1
206P42.7Very low41.3Very low118 Ų118137.8 Ų137.877%0.76678%0.781SS**  trans-100.8159.6179.738.1-34.1000114.4
207Q50.6Low41.8Very low183 Ų183132.9 Ų132.986%0.85577%0.768SS**  trans-141.8156.1166.9-74.8-63.9-21.400110.2
208P49.1Very low41.9Very low111 Ų111134.6 Ų134.672%0.72176%0.762SS**  trans-89.5168.3-167.436.1-36.7000114.9
209P40.1Very low42.1Very low123 Ų123135.7 Ų135.780%0.79976%0.763SS**  trans-97.5153.2-174.937.4-34.4000114.5
210T42.4Very low42.2Very low141 Ų141138.1 Ų138.187%0.86577%0.768SS**  trans-138.3151.8158.754.20000111.8
211T37.6Very low42Very low126 Ų126131.5 Ų131.577%0.77377%0.768SS**  trans-60.7162168.448.50000111.7
212T39.4Very low41.9Very low111 Ų111129.3 Ų129.368%0.68176%0.764SS**  -164.6158.353.525.80000112.4
213I44.7Very low42Very low141 Ų141131.6 Ų131.672%0.72377%0.768SS**  30.8120.1129.9-46.9166.9000115.1
214E40.7Very low42.2Very low173 Ų173129.3 Ų129.381%0.80875%0.753SS**  -166.8-179.552.8-147.8160.9-132.100114.2
215S41.6Very low41.9Very low94 Ų94134 Ų13466%0.65775%0.754SS**  trans67.595.9149.7-72.20000121.1
216R40.8Very low41.7Very low226 Ų226135.5 Ų135.585%0.85375%0.753SS**  63.2104.8117.4-172.1-172.8-174.5166.23.3119
217E42.6Very low41.5Very low138 Ų138133.5 Ų133.565%0.64575%0.747SS**  -173.4149.9106.9-97.6-142.9138.200114.5
218K41.3Very low41Very low145 Ų145132.8 Ų132.863%0.6374%0.743SS**  trans61.2125.3146.3-78.2-173.1178.178.60122.9
219L43.8Very low40.4Very low139 Ų139136.8 Ų136.873%0.72874%0.744SS**  trans65.6144.7137.3-52.6171.6000117.4
220D39.7Very low40.4Very low148 Ų148135.7 Ų135.779%0.79173%0.731SS**  cis-157.8171.3-7.4-105-28.4000109.1
221G36.1Very low40.4Very low81 Ų81136.1 Ų136.184%0.83572%0.723SS**  trans119.5105.2161.500000115.5
222A42.3Very low40.5Very low84 Ų84135.9 Ų135.969%0.69472%0.722SS**  trans-122.3157.4177.900000111.9
223T41.7Very low40.3Very low136 Ų136135.7 Ų135.783%0.83473%0.725SS**  trans65.9151.5156.951.40000118.7
224S40.5Very low39.9Very low74 Ų74135 Ų13552%0.51773%0.733SS.*  cis-173.5176.9-1756.60000111.3
225R38.4Very low39.8Very low224 Ų224131.4 Ų131.485%0.84573%0.727SS**  trans72.2153156.9-64.8161.4-173.7168.82.8115.2
226T40.6Very low39.6Very low130 Ų130138 Ų13880%0.79874%0.737SS**  cis-153.1159.1-1.2-4.40000112
227A37.1Very low39.5Very low76 Ų76131.4 Ų131.463%0.62873%0.726SS**  trans42.9126.414600000121.1
228H40.6Very low39.4Very low167 Ų167131.3 Ų131.377%0.77374%0.737SS**  -170.7147.3101.5-101.8-70.5000112.7
229R35.8Very low39.4Very low195 Ų195132.8 Ų132.874%0.73675%0.746SS**  30.4147.6129.1-63.4179.779.6163.48.3119.7
230D40.6Very low39Very low100 Ų100134.8 Ų134.854%0.53575%0.752SS.*  cis-163.9179.7-0.1-112.4-2.6000109.1
231E42Very low38.9Very low151 Ų151134.6 Ų134.671%0.70675%0.746SS**  trans66.1151.1166.1-58.9-45.494.600118.5
232T39.4Very low39Very low120 Ų120139.9 Ų139.974%0.73674%0.74SS**  cis-128.4128.9-3.339.60000113.4
233S36.9Very low38.9Very low108 Ų108145.2 Ų145.276%0.75574%0.742SS**  trans12.7119.4133.8-57.90000121.7
234S35.1Very low38.8Very low127 Ų127147.8 Ų147.889%0.88874%0.737SS**  trans-144.7150.6138-168.70000110.4
235S39.8Very low38.7Very low96 Ų96154.4 Ų154.467%0.67175%0.751SS**  trans-143.6145.9-155.763.20000115.7
236R37.2Very low38.6Very low234 Ų234151.7 Ų151.788%0.88375%0.747SS**  170.5144.2115.6-92.2162178.1-171.8-3.2115.8
237S37.2Very low38.5Very low87 Ų87153.6 Ų153.661%0.60875%0.747SS**  trans33.6112.2153.2-57.20000121.9
238P41.1Very low38.6Very low136 Ų136160.1 Ų160.188%0.88376%0.755SS**  trans-86.9122.2143.533.2-26.4000110.1
239E41.1Very low38.3Very low175 Ų175160 Ų16082%0.81876%0.755SS**  trans-128.5133.8-175.1-150.4159.3132.100113.7
240Q36.5Very low38.3Very low181 Ų181156.2 Ų156.285%0.84676%0.758SS**  trans-82.1130.1-172.5-59177.3-0.900111.9
241H37.6Very low38.4Very low144 Ų144157 Ų15767%0.66777%0.769SS**  trans-151.5108.8154.7-115.350.5000115.7
242R38.3Very low38.3Very low193 Ų193156.6 Ų156.673%0.72877%0.767SS**  trans43.9125.8133.4-48.5171.9172.1164.3-12.1116.9
243R40.1Very low38.3Very low195 Ų195160.7 Ų160.774%0.73677%0.768SS**  -171.7132.664.5-82.3-176179.5-169.4-1.5115.3
244R39.2Very low38.4Very low191 Ų191161.3 Ų161.372%0.72177%0.772SS**  trans70.7115.8132.4-63.9175.9175.8-171.2-3.6122.7
245R38.4Very low39Very low213 Ų213160.8 Ų160.880%0.80477%0.765SS**  56.5126127.4-59.1177.2179.7177.2-3.2119.1
246H35.7Very low39.1Very low166 Ų166162.9 Ų162.977%0.76977%0.774SS**  cis87.8143.844.3-73.9-48.4000116.6
247H38.4Very low39.4Very low170 Ų170157.3 Ų157.379%0.78776%0.761SS**  trans76127.8177.7-42.9-46.5000114.7
248R39.8Very low39.6Very low214 Ų214158.9 Ų158.981%0.80877%0.768SS**  cis80.6111.943.8-87.4-157.7176.2-149.43.8115.4
249H35.3Very low39.7Very low165 Ų165161 Ų16176%0.76476%0.763SS**  trans78147.3139.6-82.635.9000122
250S35.8Very low39.4Very low115 Ų115164.5 Ų164.580%0.80477%0.768SS**  trans75.5143.3163-67.80000120.9
251P42.5Very low39.6Very low117 Ų117166.3 Ų166.376%0.7677%0.767SS**  trans-107.7171.3179.942.1-35000113.7
252E40.1Very low39.5Very low142 Ų142169.9 Ų169.966%0.66478%0.775SS**  166.5151.1123-90-148.6156.800113.1
253R37.7Very low39.3Very low205 Ų205166.1 Ų166.177%0.77478%0.778SS**  trans63.9124.3163.2-63.6160.6-150.2-121.8-4.5117.3
254C40.3Very low39.1Very low122 Ų122168.4 Ų168.482%0.82479%0.787SS**  cis84.1152.847.4-700000114.2
255P47.7Very low38.9Very low115 Ų115164.5 Ų164.575%0.74779%0.789SS**  cis-137.2-174.8-2138.8-21.1000114.1
256V42Very low38.9Very low141 Ų141165.7 Ų165.786%0.85579%0.793SS**  -176155127.21440000111.7
257D42.8Very low39Very low117 Ų117162.3 Ų162.363%0.62679%0.788SS**  trans-48.1162.5-178.8-99.7-97.3000117.5
258T42.1Very low38.9Very low120 Ų120165 Ų16574%0.73679%0.791SS**  cis-140.814438.154.70000117.2
259K41.6Very low38.7Very low179 Ų179163.1 Ų163.178%0.77879%0.792SS**  trans21.1129.5140.7-60.2152.4-169.61690117.7
260R36.5Very low38.7Very low249 Ų249166.2 Ų166.294%0.9480%0.797SS**  -161.9143.261.9-168.1178.7-177.7-172.31.6112.6
261R39.7Very low38.8Very low219 Ų219172.1 Ų172.183%0.82680%0.801SS**  trans-72170.3175.4-62.6175.5171.6171.4-5.3110.7
262R35.9Very low38.6Very low220 Ų220175 Ų17583%0.8381%0.805SS**  cis-172.4141.738.2-156.6175.5-156.8143.9-2111.1
263S33.9Very low38.2Very low114 Ų114180 Ų18080%0.79782%0.817SS**  trans-117.6149.4171.137.30000111.4
264R36.1Very low38.1Very low243 Ų243175.1 Ų175.192%0.91782%0.815SS**  trans-160136.9163.5-120.3171.1-171.9168.92.3112.3
265S35.3Very low38.1Very low108 Ų108178.8 Ų178.876%0.75582%0.817SS**  trans-99.8176.3-172.6-33.90000112.7
266R37.6Very low37.5Very low239 Ų239178.6 Ų178.690%0.90282%0.818SS**  trans109.8150.7169.5-63.7158.8177.8172.5-2.8113.9
267S37.1Very low37.1Very low95 Ų95184 Ų18466%0.66482%0.823SS**  cis178.2132.7-32-96.70000109.9
268R36.3Very low37.1Very low225 Ų225183.8 Ų183.885%0.84983%0.831SS**  trans69.1159.6154.6-58.5170.8173.5167.5-4.1119.3
269H36.2Very low36.8Very low176 Ų176188 Ų18882%0.81584%0.839SS**  trans67.5130.2176.4-60.286.4000116.4
270R35.9Very low36.7Very low229 Ų229186.8 Ų186.886%0.86484%0.84SS**  cis86.776.617.1-156.1-170.9-168.1-1695.5116.8
271R37.2Very low37Very low239 Ų239181.8 Ų181.890%0.90284%0.837SS**  trans-170.6132.5143.9-95.7149.6-177-176.10.8106.4
272Q38.2Very low37.1Very low178 Ų178179.7 Ų179.783%0.83284%0.836SS**  65.377.657.3-78.2-7211.400115
273R32.9Very low37.1Very low246 Ų246178.4 Ų178.493%0.92884%0.837SS**  trans-161.5164138.8-137.3167.4173.590.1-6.4110.6
274S35.1Very low37.5Very low103 Ų103178.4 Ų178.472%0.7283%0.834SS**  trans-132.1169.7-16337.10000113.8
275K39.3Very low37.8Very low200 Ų200176.7 Ų176.787%0.8783%0.833SS**  trans116.8154.5164.3-65.8178.5176.4-176.80116.6
276S36.9Very low38.1Very low110 Ų110176.5 Ų176.577%0.76983%0.832SS**  trans77.758159.6-54.70000120.9S278S276-S278 PolarHBondContact O-N 3.32Å
277R32.9Very low38.6Very low256 Ų256170.3 Ų170.397%0.96682%0.822SS**  29.888.1114.1-169.2-174.7-171.7177.12.5117.1
278S41.5Very low39.1Very low112 Ų112172.8 Ų172.878%0.78383%0.833SS**  trans-127.9143.5156.861.30000110.5S276 L280S276-S278 PolarHBondContact O-N 3.32Å; S278-L280 PolarHBondContact O-N 3.4Å
279K37.4Very low40Very low209 Ų209165.7 Ų165.791%0.90982%0.815SS**  trans-75.9118.9-174.5-63.1174.7-177.2173.60110.6
280L39.8Very low41.6Very low153 Ų153160.8 Ų160.880%0.80180%0.795SS**  trans-136.9122.1162.3-143.880.2000109.8S278 Q282S278-L280 PolarHBondContact O-N 3.4Å; L280-Q282 PolarHBondContact O-N 2.83Å; L280-Q282 VanDerWaalsContact O-N 3.09Å
281V42.3Very low43.8Very low143 Ų143153.9 Ų153.987%0.86777%0.769SS**  trans-81.291.2-176.5-179.30000109.4K283V281-K283 PolarHBondContact O-N 2.91Å
282Q41.2Very low45.8Very low175 Ų175150 Ų15082%0.81875%0.754SS**  trans-75.7107.2166.3-70-153.81.700109.8L280 P284L280-Q282 PolarHBondContact O-N 2.83Å; L280-Q282 VanDerWaalsContact O-N 3.09Å; Q282-P284 WeakPolarHBondContact O-CD 3.32Å
283K36.8Very low47.6Very low194 Ų194148.5 Ų148.584%0.84375%0.745SS**  trans-64.9116.7176.7-161168.7-174.2173.80108.6V281V281-K283 PolarHBondContact O-N 2.91Å
284P41.9Very low49.9Very low113 Ų113138.3 Ų138.373%0.73471%0.709SS**  trans-63.4142.2-179.626.3-33.7000109.8Q282 S286Q282-P284 WeakPolarHBondContact O-CD 3.32Å; P284-S286 PolarHBondContact O-N 2.85Å; P284-S286 VanDerWaalsContact O-N 3.1Å
285K42.4Very low52.1Low207 Ų207136 Ų13690%0.969%0.688SS**  trans-62114.6173.5-67.9171.4-179.11740107.5
286S41.3Very low54Low104 Ų104134.9 Ų134.973%0.72769%0.688SS**  trans-59133.6-177.148.90000110.2P284P284-S286 PolarHBondContact O-N 2.85Å; P284-S286 VanDerWaalsContact O-N 3.1Å
287P48.3Very low56.3Low109 Ų109132.7 Ų132.771%0.70868%0.676SS**  trans-58.2147.6167.928.2-34.4000108.9T289P287-T289 PolarHBondContact O-N 3.4Å
288V47.7Very low58.4Low148 Ų148123.4 Ų123.490%0.89766%0.661SS**  trans-58.2109.8176.31770000107.9D290V288-D290 PolarHBondContact O-N 3.31Å
289T54.1Low60.3Low76 Ų76127.8 Ų127.847%0.46666%0.66SS.*  trans-71129-179.5670000109P287 W291 D294P287-T289 PolarHBondContact O-N 3.4Å; T289-W291 PolarHBondContact O-N 3.49Å; T289-D294 WeakPolarHBondContact CB-OD2 3.19Å; T289-D294 PolarHBondContact OG1-OD2 3.4Å
290D70.5Confident62.1Low72 Ų72122.2 Ų122.239%0.38563%0.634SS.*  trans-66.4100170.4177.55.4000107.7V288 R292 K293 D294V288-D290 PolarHBondContact O-N 3.31Å; D290-R292 PolarHBondContact O-N 3.12Å; D290-R292 WeakPolarHBondContact OD1-CB 3.46Å; D290-R292 PolarHBondContact OD1-N 3.31Å; D290-K293 HydrophobicContact CB-CB 4.49Å; D290-K293 HydrophobicContact CB-CD 4.18Å; D290-K293 HydrophobicContact CB-CG 4.18Å; D290-K293 WeakPolarHBondContact O-CA 3.37Å; D290-K293 WeakPolarHBondContact O-CB 3.48Å; D290-K293 PolarHBondContact O-N 2.88Å; D290-K293 WeakPolarHBondContact OD2-CE 3.29Å; D290-D294 PolarHBondContact O-N 3.13Å
291W83Confident63.8Low85 Ų85127.2 Ų127.232%0.32264%0.642SS.*Hα-helixtrans-59.5-19.5-174.863.1-100.1000112.7T289 D294 L295 P303 P304T289-W291 PolarHBondContact O-N 3.49Å; W291-D294 PolarHBondContact O-N 2.63Å; W291-L295 HydrophobicContact CE3-CD1 4.25Å; W291-L295 HydrophobicContact CZ3-CD2 4.39Å; W291-L295 WeakPolarHBondContact O-CD1 3.47Å; W291-L295 PolarHBondContact O-N 2.89Å; W291-P303 HydrophobicContact CE3-CB 3.98Å; W291-P303 HydrophobicContact CE3-CG 4.46Å; W291-P303 HydrophobicContact CH2-CB 4.24Å; W291-P303 HydrophobicContact CZ3-CB 3.79Å; W291-P303 HydrophobicContact CZ3-CG 3.95Å; W291-P304 HydrophobicContact CB-CG 4.06Å; W291-P304 HydrophobicContact CD2-CG 4.31Å; W291-P304 HydrophobicContact CG-CG 3.8Å
292R77.5Confident65.3Low156 Ų156124 Ų12459%0.58963%0.626SS**Hα-helixtrans-66.5-40.9171.3-65.8178.5171.3143.4-5.8111.5D290 L295 M296D290-R292 PolarHBondContact O-N 3.12Å; D290-R292 WeakPolarHBondContact OD1-CB 3.46Å; D290-R292 PolarHBondContact OD1-N 3.31Å; R292-L295 PolarHBondContact O-N 3.06Å; R292-M296 WeakPolarHBondContact O-CB 3.22Å; R292-M296 WeakPolarHBondContact O-CG 3.14Å; R292-M296 PolarHBondContact O-N 3.23Å
293K77.7Confident67.1Low147 Ų147119 Ų11964%0.63961%0.608SS**Hα-helixtrans-67.7-38.9175.5-64.2-178.1-174.9-175.60111.1D290 L295 M296 A297D290-K293 HydrophobicContact CB-CB 4.49Å; D290-K293 HydrophobicContact CB-CD 4.18Å; D290-K293 HydrophobicContact CB-CG 4.18Å; D290-K293 WeakPolarHBondContact O-CA 3.37Å; D290-K293 WeakPolarHBondContact O-CB 3.48Å; D290-K293 PolarHBondContact O-N 2.88Å; D290-K293 WeakPolarHBondContact OD2-CE 3.29Å; K293-L295 VanDerWaalsContact C-N 3.32Å; K293-L295 PolarHBondContact O-N 3.35Å; K293-M296 PolarHBondContact O-N 3.25Å; K293-A297 WeakPolarHBondContact O-CB 3.44Å; K293-A297 PolarHBondContact O-N 3.39Å
294D80.5Confident68.9Low32 Ų32111.8 Ų111.817%0.17158%0.581CS.*Hα-helixtrans-64.2-34.8173.8-69.7-30.7000112.5T289 D290 W291 R299 R300T289-D294 WeakPolarHBondContact CB-OD2 3.19Å; T289-D294 PolarHBondContact OG1-OD2 3.4Å; D290-D294 PolarHBondContact O-N 3.13Å; W291-D294 PolarHBondContact O-N 2.63Å; D294-R299 HydrophobicContact CB-CB 4.46Å; D294-R299 WeakPolarHBondContact O-CA 3.37Å; D294-R299 WeakPolarHBondContact O-CB 3.45Å; D294-R299 PolarHBondContact O-N 3.14Å; D294-R300 HydrophobicContact CB-CB 4.23Å; D294-R300 VanDerWaalsContact CB-CD 3.46Å; D294-R300 HydrophobicContact CB-CG 3.8Å; D294-R300 PolarHBondContact O-N 3.04Å; D294-R300 VanDerWaalsContact O-N 3.1Å
295L80.8Confident70.2Confident55 Ų55115.1 Ų115.129%0.28859%0.587SS.*Hα-helixtrans-70.8-51.1173.3-105.775.3000112W291 R292 K293 A297 G298 R300 P303W291-L295 HydrophobicContact CE3-CD1 4.25Å; W291-L295 HydrophobicContact CZ3-CD2 4.39Å; W291-L295 WeakPolarHBondContact O-CD1 3.47Å; W291-L295 PolarHBondContact O-N 2.89Å; R292-L295 PolarHBondContact O-N 3.06Å; K293-L295 VanDerWaalsContact C-N 3.32Å; K293-L295 PolarHBondContact O-N 3.35Å; L295-A297 PolarHBondContact O-N 2.92Å; L295-G298 PolarHBondContact O-N 2.88Å; L295-R300 HydrophobicContact CD1-CB 3.81Å; L295-P303 HydrophobicContact CD2-CG 3.88Å
296M79.7Confident71.4Confident177 Ų177109.4 Ų109.487%0.87257%0.565SS**Hα-helixtrans-58.8-35.1179.1-71-72.3-171.100112.1R292 K293 G298R292-M296 WeakPolarHBondContact O-CB 3.22Å; R292-M296 WeakPolarHBondContact O-CG 3.14Å; R292-M296 PolarHBondContact O-N 3.23Å; K293-M296 PolarHBondContact O-N 3.25Å; M296-G298 VanDerWaalsContact C-N 3.28Å; M296-G298 PolarHBondContact O-N 3Å
297A84.2Confident72.8Confident63 Ų63108.3 Ų108.352%0.52156%0.555SS.*THydrogen-bonded Turntrans-85.510.7176.400000114.1K293 L295 R299K293-A297 WeakPolarHBondContact O-CB 3.44Å; K293-A297 PolarHBondContact O-N 3.39Å; L295-A297 PolarHBondContact O-N 2.92Å; A297-R299 HydrophobicContact CB-CG 4.22Å; A297-R299 PolarHBondContact O-N 3.41Å
298G77.8Confident73.4Confident62 Ų62109 Ų10964%0.63955%0.549SS*.THydrogen-bonded Turntrans66.82.8179.500000115.7L295 M296 R300L295-G298 PolarHBondContact O-N 2.88Å; M296-G298 VanDerWaalsContact C-N 3.28Å; M296-G298 PolarHBondContact O-N 3Å; G298-R300 VanDerWaalsContact C-N 3.27Å; G298-R300 PolarHBondContact O-N 3.13Å
299R80.5Confident74.5Confident204 Ų204107.3 Ų107.377%0.7754%0.543SS*.SBendtrans-73.4-17-176.2-63.3-179.7-177-97-4.2113D294 A297D294-R299 HydrophobicContact CB-CB 4.46Å; D294-R299 WeakPolarHBondContact O-CA 3.37Å; D294-R299 WeakPolarHBondContact O-CB 3.45Å; D294-R299 PolarHBondContact O-N 3.14Å; A297-R299 HydrophobicContact CB-CG 4.22Å; A297-R299 PolarHBondContact O-N 3.41Å
300R75Confident75.2Confident92 Ų92104.7 Ų104.735%0.34753%0.528SS..  trans-137.3128.5175.5-68177.679166.76110.5D294 L295 G298 S302D294-R300 HydrophobicContact CB-CB 4.23Å; D294-R300 VanDerWaalsContact CB-CD 3.46Å; D294-R300 HydrophobicContact CB-CG 3.8Å; D294-R300 PolarHBondContact O-N 3.04Å; D294-R300 VanDerWaalsContact O-N 3.1Å; L295-R300 HydrophobicContact CD1-CB 3.81Å; G298-R300 VanDerWaalsContact C-N 3.27Å; G298-R300 PolarHBondContact O-N 3.13Å; R300-S302 VanDerWaalsContact C-N 3.34Å; R300-S302 PolarHBondContact O-N 3.18Å
301R76.1Confident74.7Confident258 Ų258109.2 Ų109.297%0.97455%0.545SS*.SBendtrans-74.3-19.3-178.6-67.5-175175.7-166.7-2.2114.4
302S74.9Confident73.7Confident76 Ų76113.1 Ų113.153%0.53156%0.561SS.*SBendtrans-152.4151.6-176.852.30000111.5R300R300-S302 VanDerWaalsContact C-N 3.34Å; R300-S302 PolarHBondContact O-N 3.18Å
303P77.6Confident72.8Confident69 Ų69106.5 Ų106.545%0.44854%0.541SS..PPolyproline II helixtrans-59.7149.6172.6-20.833.2000111.2W291 L295W291-P303 HydrophobicContact CE3-CB 3.98Å; W291-P303 HydrophobicContact CE3-CG 4.46Å; W291-P303 HydrophobicContact CH2-CB 4.24Å; W291-P303 HydrophobicContact CZ3-CB 3.79Å; W291-P303 HydrophobicContact CZ3-CG 3.95Å; L295-P303 HydrophobicContact CD2-CG 3.88Å
304P75.8Confident71.6Confident42 Ų42104.1 Ų104.127%0.27354%0.535SS..PPolyproline II helixtrans-58.4144.7170.125.8-33.2000110.9W291 M306W291-P304 HydrophobicContact CB-CG 4.06Å; W291-P304 HydrophobicContact CD2-CG 4.31Å; W291-P304 HydrophobicContact CG-CG 3.8Å; P304-M306 PolarHBondContact O-N 2.94Å
305E69.5Low70.3Confident184 Ų184106.5 Ų106.586%0.8655%0.545SS*.PPolyproline II helixtrans-66.4122.7172.5-171155.2-126.400109.7
306M67.6Low69Low87 Ų87111.7 Ų111.743%0.42957%0.566SS.*PPolyproline II helixtrans-84.2136.3-175.3-75-66.1-61.300110.2P304P304-M306 PolarHBondContact O-N 2.94Å
307P70.3Confident67.7Low80 Ų80110.5 Ų110.552%0.51955%0.551SS.*PPolyproline II helixtrans-59.6144.7176.824.9-34.2000111.3S309 S310P307-S309 PolarHBondContact O-N 2.88Å; P307-S309 VanDerWaalsContact O-N 3.08Å; P307-S310 WeakPolarHBondContact O-CB 3.38Å; P307-S310 PolarHBondContact O-N 3.1Å; P307-S310 PolarHBondContact O-OG 2.84Å
308E60.8Low66.2Low124 Ų124111.1 Ų111.158%0.57955%0.552SS**THydrogen-bonded Turntrans-58.8-25.3-174.4-63.1179.5118.200113.3S310 R317E308-S310 PolarHBondContact O-N 3.39Å; E308-R317 IonicContact OE1-CZ 2.75Å; E308-R317 IonicContact OE1-NH1 2.88Å; E308-R317 PolarHBondContact OE1-NH1 2.9Å; E308-R317 IonicContact OE1-NH2 3.22Å; E308-R317 PolarHBondContact OE1-NH2 2.91Å
309S70.5Confident65.1Low113 Ų113115.1 Ų115.179%0.7955%0.551SS**THydrogen-bonded Turntrans-72.6-9175.360.20000114.7P307P307-S309 PolarHBondContact O-N 2.88Å; P307-S309 VanDerWaalsContact O-N 3.08Å
310S68.3Low63.6Low21 Ų21108.2 Ų108.215%0.14754%0.544CS..SBendtrans-81.5147.3178.269.30000112.1P307 E308 Y312 G313 N314P307-S310 WeakPolarHBondContact O-CB 3.38Å; P307-S310 PolarHBondContact O-N 3.1Å; P307-S310 PolarHBondContact O-OG 2.84Å; E308-S310 PolarHBondContact O-N 3.39Å; S310-Y312 PolarHBondContact O-N 3.41Å; S310-G313 WeakPolarHBondContact O-CA 3.31Å; S310-G313 PolarHBondContact O-N 3.47Å; S310-G313 PolarHBondContact OG-N 3.3Å; S310-N314 PolarHBondContact O-N 2.73Å
311F61.3Low62.3Low167 Ų167111.4 Ų111.473%0.73256%0.563SS**Hα-helixtrans-51.2-42.4178.4-174.1-98.5000112.7
312Y60.7Low61.1Low167 Ų167107.8 Ų107.866%0.65555%0.554SS**Hα-helixtrans-77.2-13.9177.2-66.5-74000114.8S310S310-Y312 PolarHBondContact O-N 3.41Å
313G59Low59.5Low17 Ų17113.4 Ų113.418%0.17557%0.571CS.*Hα-helixtrans-72.4-50.5174.800000111.9S310 E315 K316S310-G313 WeakPolarHBondContact O-CA 3.31Å; S310-G313 PolarHBondContact O-N 3.47Å; S310-G313 PolarHBondContact OG-N 3.3Å; G313-E315 PolarHBondContact O-N 3.45Å; G313-K316 PolarHBondContact O-N 3.49Å; G313-K316 VanDerWaalsContact O-N 3.13Å
314N53.5Low57.9Low96 Ų96115.5 Ų115.551%0.51359%0.588SS.*Hα-helixtrans-60.9-29.2178.4-89.7-38.1000113.5S310 K316 R317 S318S310-N314 PolarHBondContact O-N 2.73Å; N314-K316 VanDerWaalsContact C-N 3.26Å; N314-K316 PolarHBondContact O-N 3.45Å; N314-R317 PolarHBondContact O-N 3.06Å; N314-S318 WeakPolarHBondContact O-CB 3.21Å; N314-S318 PolarHBondContact O-N 3.11Å; N314-S318 PolarHBondContact O-OG 3Å
315E52.7Low56.4Low82 Ų82123.4 Ų123.438%0.38362%0.618SS.*Hα-helixtrans-55.8-38.6175.4-167.768-150.400112.2G313 S318 K319G313-E315 PolarHBondContact O-N 3.45Å; E315-S318 PolarHBondContact O-N 2.98Å; E315-K319 PolarHBondContact O-N 3.28Å; E315-K319 WeakPolarHBondContact OE1-CE 3.38Å; E315-K319 IonicContact OE1-NZ 2.63Å; E315-K319 PolarHBondContact OE1-NZ 3.07Å
316K54.2Low55.3Low165 Ų165124.1 Ų124.172%0.71762%0.618SS**Hα-helixtrans-68.9-47.8-179.8-76.5-169174.5-174.50112.5G313 N314 S318 K319 G320G313-K316 PolarHBondContact O-N 3.49Å; G313-K316 VanDerWaalsContact O-N 3.13Å; N314-K316 VanDerWaalsContact C-N 3.26Å; N314-K316 PolarHBondContact O-N 3.45Å; K316-S318 VanDerWaalsContact C-N 3.31Å; K316-S318 PolarHBondContact O-N 3.1Å; K316-K319 PolarHBondContact O-N 3.3Å; K316-G320 PolarHBondContact O-N 3.14Å; K316-G320 VanDerWaalsContact O-N 3.09Å
317R50.9Low54Low151 Ų151128.7 Ų128.757%0.5764%0.638SS**Hα-helixtrans-61.6-40.5174.4-94.3-163.6-178.5111.210.2111.6E308 N314 K319 G320E308-R317 IonicContact OE1-CZ 2.75Å; E308-R317 IonicContact OE1-NH1 2.88Å; E308-R317 PolarHBondContact OE1-NH1 2.9Å; E308-R317 IonicContact OE1-NH2 3.22Å; E308-R317 PolarHBondContact OE1-NH2 2.91Å; N314-R317 PolarHBondContact O-N 3.06Å; R317-K319 PolarHBondContact O-N 2.92Å; R317-G320 PolarHBondContact O-N 3.14Å
318S54.4Low52.8Low76 Ų76132.5 Ų132.553%0.53165%0.654SS.*Hα-helixtrans-63.1-25.6-178.8-58.10000114N314 E315 K316N314-S318 WeakPolarHBondContact O-CB 3.21Å; N314-S318 PolarHBondContact O-N 3.11Å; N314-S318 PolarHBondContact O-OG 3Å; E315-S318 PolarHBondContact O-N 2.98Å; K316-S318 VanDerWaalsContact C-N 3.31Å; K316-S318 PolarHBondContact O-N 3.1Å
319K54.4Low51.8Low146 Ų146136.6 Ų136.664%0.63567%0.67SS**Hα-helixtrans-94.7-28.1175.9-78.4166170.1162.30113.6E315 K316 R317 H321E315-K319 PolarHBondContact O-N 3.28Å; E315-K319 WeakPolarHBondContact OE1-CE 3.38Å; E315-K319 IonicContact OE1-NZ 2.63Å; E315-K319 PolarHBondContact OE1-NZ 3.07Å; K316-K319 PolarHBondContact O-N 3.3Å; R317-K319 PolarHBondContact O-N 2.92Å; K319-H321 VanDerWaalsContact C-N 3.29Å; K319-H321 PolarHBondContact O-N 3.16Å
320G48.1Very low50.5Low60 Ų60138.2 Ų138.262%0.61967%0.665SS**THydrogen-bonded Turntrans-75.30.8-18000000117K316 R317K316-G320 PolarHBondContact O-N 3.14Å; K316-G320 VanDerWaalsContact O-N 3.09Å; R317-G320 PolarHBondContact O-N 3.14Å
321H48.2Very low48.9Very low159 Ų159147.1 Ų147.174%0.73670%0.696SS**THydrogen-bonded Turntrans-117.311.4-172.4-90.913.5000115.9K319K319-H321 VanDerWaalsContact C-N 3.29Å; K319-H321 PolarHBondContact O-N 3.16Å
322K49.8Very low47.9Very low181 Ų181148.7 Ų148.779%0.78771%0.705SS**SBendtrans-93.5-2-178.1-69-167.1175.4-174.20116.3
323H42.8Very low46.9Very low194 Ų194148 Ų14890%0.89871%0.712SS**SBendtrans-1181.3-177-90.5-78.8000116.9
324S42.6Very low46Very low114 Ų114154.7 Ų154.780%0.79774%0.744SS**  trans-122.367.9175.4-161.50000112.9
325K45.7Very low45.3Very low207 Ų207155.8 Ų155.890%0.976%0.759SS**  trans-141.852.7163.9-80.5-159.2171.9-174.70111.1
326K44.7Very low44.8Very low199 Ų199160 Ų16087%0.86578%0.778SS**SBendtrans-140.730.9174.4-106.6-163.5179-170.20113.6
327H41.5Very low44.1Very low184 Ų184157.8 Ų157.885%0.85278%0.784SS**SBendtrans-157.788.3161.5-109-83.7000108.8
328D43.9Very low43.6Very low160 Ų160159.8 Ų159.886%0.85680%0.8SS**  trans177.298.3139.9-102.9-38.3000108.9
329K40.8Very low42.9Very low210 Ų210165.5 Ų165.591%0.91382%0.815SS**  trans-141.957.1176.7-129.4-165.5-176-165.70109.5
330Q43.3Very low42.1Very low147 Ų147162.8 Ų162.869%0.68781%0.814SS**SBendtrans-158.5144.9169.1-116175.971.300110.7
331R35.3Very low41.8Very low208 Ų208169 Ų16979%0.78583%0.827SS**  trans63.880.8161.3-55.9159.8-171-99.2-1.4116.6
332H39.2Very low41.6Very low199 Ų199170.5 Ų170.592%0.92183%0.831SS**  trans-154.352.1137.6-103.7-56.9000112.2
333D40.7Very low41Very low153 Ų153173.4 Ų173.482%0.81884%0.837SS**  trans-91.5171.6160.6-79.5-67.8000110.6
334N39.3Very low41.1Very low158 Ų158169.6 Ų169.685%0.84583%0.832SS**  trans64.980.6-178.5-72.6-2.4000116.5
335S38.5Very low41.3Very low118 Ų118169.5 Ų169.583%0.82583%0.829SS**  trans-120.449.1151.8520000111.2
336H41.9Very low41.2Very low170 Ų170165 Ų16579%0.78782%0.823SS**  trans-140.596.2179.4-96.854.2000112.3
337S39.8Very low41.1Very low120 Ų120163.4 Ų163.484%0.83982%0.819SS**  164.6118.7127.649.10000112.1
338H40.6Very low41.1Very low193 Ų193160.6 Ų160.689%0.89481%0.81SS**  trans-104.8110.8160.6-74.7-82.3000108.6
339K40.8Very low41.1Very low196 Ų196157.2 Ų157.285%0.85280%0.799SS**  trans-161.7103.1159.8-114.9156.9-173.1174.70116.2
340S37.3Very low41.3Very low89 Ų89153.1 Ų153.162%0.62279%0.787SS**  trans54.399.2132.663.10000121.6
341H41.8Very low41.3Very low191 Ų191155.2 Ų155.288%0.88479%0.79SS**  -124.2123129.9-66.1-2.2000105.5
342K43.7Very low41.8Very low190 Ų190154 Ų15483%0.82679%0.787SS**  cis79.512243.6-74.2-96-175.9172.40113.9
343R37.8Very low41.8Very low242 Ų242154.6 Ų154.691%0.91378%0.781SS**  trans77.6114.1-179.6-56.3171.3172164.7-4.3113.1
344S44Very low41.8Very low114 Ų114152.3 Ų152.380%0.79778%0.777SS**  cis91.2151.429.8-55.90000114.2
345P47.4Very low41.8Very low112 Ų112156.4 Ų156.473%0.72778%0.78SS**  cis-141.2-168.1-3941.2-23.5000114.3
346S43.4Very low42Very low111 Ų111158.3 Ų158.378%0.77677%0.774SS**  trans76.8156.2168.285.70000117
347H42.6Very low41.8Very low167 Ų167157.3 Ų157.377%0.77377%0.769SS**  cis-151.3177.6-2.7-148.844.1000112.1
348N42.1Very low42.1Very low125 Ų125156.2 Ų156.267%0.66876%0.758SS**  trans-19.2162.8161.9-8813000120.5
349S42.6Very low42.4Very low89 Ų89155.3 Ų155.362%0.62275%0.753SS**  cis-170.6142.48.435.20000114.5
350D45.3Very low42.4Very low124 Ų124152.8 Ų152.866%0.66375%0.749SS**  trans61.7166.3132.5-57.1-46.7000125.5
351Y43.3Very low42.8Very low190 Ų190153.3 Ų153.375%0.74575%0.753SS**  trans76.4108168.3-60.9-72.3000117.8
352Y44.8Very low42.6Very low184 Ų184147.6 Ų147.672%0.72275%0.746SS**  78.2143.576.7-90.1-129.1000113.7
353R40.9Very low42.5Very low210 Ų210144.4 Ų144.479%0.79275%0.747SS**  cis-161.7157-13.3-163.9179.7-166.2170.66.7110.3
354S39.4Very low42.6Very low105 Ų105143.3 Ų143.373%0.73474%0.743SS**  trans-56.5153.1-177-27.90000118
355R40.3Very low42.6Very low244 Ų244145 Ų14592%0.92174%0.738SS**  trans151.2159.4140.4-85.6164.5-172.1-147.73.7111.2
356K42.3Very low42.4Very low159 Ų159146.3 Ų146.369%0.69173%0.734SS**  cis-177.9153.6-33.4-146.4179.6176.5-163.40108.5
357H38.5Very low42.2Very low149 Ų149148.2 Ų148.269%0.6974%0.736SS**  trans69.1158.2162.4-64.6-45.2000116.6
358T45.5Very low42Very low97 Ų97147.7 Ų147.760%0.59574%0.737SS**  cis-165.2159.47.4-0.70000114.3
359H46.9Very low42.2Very low173 Ų173147.2 Ų147.280%0.80174%0.738SS**  trans64.3161.5160.8-44-53000118.3
360N41.5Very low42.2Very low144 Ų144151.2 Ų151.277%0.7775%0.747SS**  cis-148.5171.9-4.9-155.11.8000112.6
361S44.5Very low42.1Very low100 Ų100151.2 Ų151.270%0.69975%0.751SS**  trans9.4145.7154.259.20000122.2
362G38.4Very low42Very low71 Ų71148.8 Ų148.873%0.73275%0.751SS**  cis161.3170.92.900000113.2
363S41.8Very low41.8Very low123 Ų123146.7 Ų146.786%0.8675%0.748SS**  trans64.3144.4-173.4-84.70000116.4
364R39.7Very low41.7Very low219 Ų219145.8 Ų145.883%0.82675%0.745SS**  cis12691.94.6-103.1-169166.1163.7-4.6110.2
365H42.6Very low41.9Very low148 Ų148146.8 Ų146.869%0.68574%0.742SS**  170.7132.1117.7-92.1-159.6000114.8
366H43.1Very low42Very low141 Ų141144.9 Ų144.965%0.65374%0.743SS**  trans-1.7137.4159.1-32.4-58.1000123
367N41.2Very low41.8Very low150 Ų150148.1 Ų148.180%0.80275%0.751SS**  trans32.4135.6131.8-61.5-17.7000119.6
368I38.1Very low41.8Very low157 Ų157146.2 Ų146.281%0.80575%0.752SS**  cis-158.1176.239.1-138.4155.8000113.8
369V45.7Very low41.4Very low115 Ų115146.6 Ų146.670%0.69776%0.759SS**  trans-67.3132.7-173167.40000114.7
370E42.4Very low41Very low172 Ų172148.2 Ų148.280%0.80476%0.759SS**  42141.2128.3-119.8165.2-155.300119.3
371V43.6Very low40.8Very low124 Ų124146.9 Ų146.975%0.75275%0.752SS**  cis-149.1145.539-179.90000111
372N40.2Very low40.4Very low139 Ų139151.3 Ų151.374%0.74376%0.761SS**  trans-102.7138.7170.2-90.817.2000112.8
373E41.3Very low40.5Very low141 Ų141155.6 Ų155.666%0.65976%0.762SS**  22.3151.5115-66.5-158.512300120.3
374R39.4Very low40.3Very low191 Ų191154 Ų15472%0.72175%0.751SS**  cis-177.5168.2-20.2-134.7173.7-173.9137.2-4.1106.2
375D43.6Very low40.2Very low125 Ų125154.6 Ų154.667%0.66875%0.753SS**  trans42.8112.8154.1-56-44.2000121.1
376Q41.4Very low40.1Very low205 Ų205156.2 Ų156.296%0.95876%0.758SS**  -159.8149.9107.4-105.2153.3104.200113.2
377R37.7Very low39.9Very low226 Ų226157.5 Ų157.585%0.85377%0.77SS**  trans-120.3159.8-177.4-159-168.4174.9-1590.8107.5
378P40Very low39.7Very low110 Ų110156 Ų15671%0.71477%0.771SS**  -156.6161.8101.139.7-21.9000116.9
379S36.7Very low39.7Very low104 Ų104158.8 Ų158.873%0.72778%0.778SS**  trans63.9160.3147.594.90000118.9
380Y37.5Very low39.6Very low207 Ų207156.9 Ų156.981%0.81277%0.774SS**  cis-151.9163.8-18.8-169.2-132.5000110.4
381L38.8Very low39.6Very low117 Ų117152.2 Ų152.261%0.61377%0.773SS**  trans61.7117161-157.561.3000119.6Q383L381-Q383 HydrophobicContact CD1-CG 4.15Å
382E35.7Very low39.5Very low192 Ų192153.6 Ų153.690%0.89778%0.775SS**  trans-132.2124.5169-178.7175-172.100108.3
383Q39.5Very low39.5Very low161 Ų161158.1 Ų158.175%0.75278%0.784SS**  trans-146.3132.4177.8-72.7-166.4-0.600113.4L381L381-Q383 HydrophobicContact CD1-CG 4.15Å
384S38Very low39.5Very low90 Ų90162.9 Ų162.963%0.62980%0.796SS**  trans64.8112.5150.7-77.10000120.6
385R37.6Very low39.3Very low231 Ų231160.8 Ų160.887%0.87279%0.792SS**  trans78.7158.4132.5-60.1168.1-166.8-157.81.5118.1
386K39.9Very low39.5Very low183 Ų183165.6 Ų165.680%0.79680%0.802SS**  cis-177.6110.3-30.5176.7-176.1-176.6-174.80106
387D40.1Very low39.3Very low168 Ų168163.2 Ų163.290%0.89879%0.791SS**  trans-159.2141.8158.5-106.7-33.6000112
388S36.5Very low39.8Very low117 Ų117155.7 Ų155.782%0.81878%0.784SS**  trans-136.7129.9-174.5-65.30000110.1
389F38.6Very low40Very low216 Ų216156.6 Ų156.695%0.94779%0.79SS**  trans-130126.3163.4-160.6-98.5000110.4
390A43.1Very low40Very low75 Ų75159.1 Ų159.162%0.6280%0.795SS**  trans-95.3134.1-162.900000113.4
391G43.2Very low40.2Very low75 Ų75157.3 Ų157.377%0.77380%0.799SS**  trans-88100.8168.600000111.4Y393G391-Y393 PolarHBondContact O-N 2.76Å
392N41.1Very low40.4Very low152 Ų152157.4 Ų157.481%0.81381%0.807SS**  trans-66.1116179.5-79.1-25.1000112.7
393Y40.3Very low40.5Very low234 Ų234158.2 Ų158.292%0.91881%0.807SS**  trans-120.8123.7153.4-84.2-83.3000109.2G391G391-Y393 PolarHBondContact O-N 2.76Å
394R39.9Very low40.4Very low241 Ų241158 Ų15891%0.90981%0.806SS**  trans-80.3133.2-163.4-175.6176.7-80.3175.3-7.2111.8
395K36.3Very low40.4Very low147 Ų147163 Ų16364%0.63981%0.813SS**  trans-55.9139.9173.3-146.9-173.7-169.1-160.20111E397K395-E397 HydrophobicContact CD-CG 4.09Å; K395-E397 WeakPolarHBondContact CE-OE1 3.23Å; K395-E397 WeakPolarHBondContact CE-OE2 3.19Å; K395-E397 HydrophobicContact CG-CG 4.24Å; K395-E397 IonicContact NZ-OE1 2.75Å; K395-E397 PolarHBondContact NZ-OE1 3.18Å; K395-E397 IonicContact NZ-OE2 3.82Å; K395-E397 PolarHBondContact NZ-OE2 2.96Å
396Y47.3Very low40.6Very low227 Ų227158.2 Ų158.289%0.8980%0.804SS**  trans-120.2128.3156.9-103.3-85.5000106.6
397E38.3Very low40.5Very low154 Ų154157.1 Ų157.172%0.7280%0.802SS**  trans-117.6141.1170.7-73.5-179138.300109K395K395-E397 HydrophobicContact CD-CG 4.09Å; K395-E397 WeakPolarHBondContact CE-OE1 3.23Å; K395-E397 WeakPolarHBondContact CE-OE2 3.19Å; K395-E397 HydrophobicContact CG-CG 4.24Å; K395-E397 IonicContact NZ-OE1 2.75Å; K395-E397 PolarHBondContact NZ-OE1 3.18Å; K395-E397 IonicContact NZ-OE2 3.82Å; K395-E397 PolarHBondContact NZ-OE2 2.96Å
398G48.2Very low40.3Very low69 Ų69160.1 Ų160.171%0.71180%0.8SS**  trans-171.5135.1-178.600000107.3
399P43.1Very low40.1Very low129 Ų129160.4 Ų160.484%0.83880%0.803SS**  trans-84169-14931.8-37.7000116
400D36Very low40.1Very low156 Ų156156 Ų15683%0.83480%0.799SS**  trans-65149.5-169.9-51.6-91.6000116
401L43.5Very low39.8Very low169 Ų169157.4 Ų157.489%0.88580%0.804SS**  trans-138.6147.1150.9-78.2-179.6000111
402P41.5Very low39.7Very low120 Ų120164 Ų16478%0.77981%0.805SS**  trans-91.1169.8-158.6-1131.3000116.7
403F37.9Very low39.4Very low208 Ų208166.7 Ų166.791%0.91281%0.806SS**  trans-50.1137.3175.4-68.7-106.6000115
404H38.8Very low39.2Very low156 Ų156166.8 Ų166.872%0.72280%0.804SS**  153.1108.3103.5-162.1-26.7000110.8
405Y37.6Very low39.2Very low196 Ų196163.1 Ų163.177%0.76980%0.798SS**  trans-84.5134.9161.1-96.6-94.5000109H407Y405-H407 AromaticContact CD1-CD2 3.87Å; Y405-H407 AromaticContact CD1-NE2 3.62Å; Y405-H407 AromaticContact CE1-NE2 3.68Å
406D42.1Very low39.2Very low131 Ų131162.3 Ų162.370%0.70180%0.8SS**  trans-133.995.7166.7-15416.8000111R408D406-R408 PolarHBondContact O-N 3.14Å
407H36.9Very low38.8Very low160 Ų160155.3 Ų155.374%0.74179%0.789SS**  trans-93.987.2-177.2-87.1-45.4000111.3Y405 S409Y405-H407 AromaticContact CD1-CD2 3.87Å; Y405-H407 AromaticContact CD1-NE2 3.62Å; Y405-H407 AromaticContact CE1-NE2 3.68Å; H407-S409 PolarHBondContact O-N 2.93Å
408R36.3Very low38.7Very low230 Ų230157 Ų15787%0.86880%0.797SS**  trans-94.786175-139.1171.5-163.8-91.62.7111.9D406 S410D406-R408 PolarHBondContact O-N 3.14Å; R408-S410 PolarHBondContact O-N 2.71Å
409S33.1Very low38.4Very low124 Ų124157.7 Ų157.787%0.86779%0.791SS**  trans-61.8122.4174.2-51.90000111.3H407H407-S409 PolarHBondContact O-N 2.93Å
410S37Very low38.3Very low123 Ų123160.8 Ų160.886%0.8679%0.794SS**  trans-120124.8168.5-166.90000110.5R408R408-S410 PolarHBondContact O-N 2.71Å
411S37.1Very low38.3Very low105 Ų105156.5 Ų156.573%0.73479%0.786SS**  trans-141.4108.8173.3175.60000108.2
412R40.8Very low38.1Very low213 Ų213159.6 Ų159.680%0.80479%0.786SS**  trans170.2133145.5-95.1152.1-158.5-135.22.5113
413Y36.1Very low37.8Very low208 Ų208160.9 Ų160.982%0.81679%0.787SS**  trans67.4121.7157.1-67.8-133.1000113.8
414R35.4Very low37.9Very low236 Ų236156.1 Ų156.189%0.89179%0.786SS**  cis84.5139.933.9-157.1-176.6-153.9-145.55.4112.4
415Q39.6Very low38.1Very low165 Ų165153.9 Ų153.977%0.77179%0.788SS**  trans82.7144.5-168.4-50.8-161.6-98.700114.7
416D37.1Very low38.5Very low129 Ų129150.5 Ų150.569%0.6979%0.79SS**  cis-166.5173.1-27.7-90.5-32000106.9
417A39.2Very low38.4Very low80 Ų80152.1 Ų152.166%0.66179%0.793SS**  trans66.8132.4176.400000115.9
418E35.9Very low39Very low189 Ų189149.3 Ų149.388%0.88379%0.789SS**  66.3130.763.3-61.3168.1119.900111.9
419S41.4Very low39.1Very low84 Ų84142.8 Ų142.859%0.58778%0.779SS**  cis-167.8156.911.7520000112.5
420H40.6Very low39.4Very low195 Ų195148.3 Ų148.390%0.90378%0.781SS**  trans67.2151.9164.9-44.3-32.3000117.1
421G36.4Very low39.6Very low65 Ų65148.6 Ų148.667%0.6778%0.778SS**  cis157.5148.9-13.600000113.7
422R39.1Very low39.4Very low234 Ų234154.6 Ų154.688%0.88378%0.784SS**  trans67.1152.9171.8-52.4176.3-174.4-122-1.9115.2
423N36.4Very low39.6Very low147 Ų147151.6 Ų151.679%0.78678%0.784SS**  cis172.9121.3-20.8-94.1-5.3000103.6
424A40Very low39.5Very low109 Ų109151.8 Ų151.890%0.90178%0.783SS**  trans-168.2125156.400000111.4
425S41.4Very low39.8Very low108 Ų108149.1 Ų149.176%0.75578%0.781SS**  trans-157147166.4172.70000107.5
426P47.5Very low39.6Very low126 Ų126145.6 Ų145.682%0.81878%0.775SS**  trans-140139.4133.134.1-19.4000115.7
427E38.4Very low40Very low164 Ų164146.7 Ų146.777%0.76678%0.781SS**  trans-57.3-169.7150-81.2-84.5152.300112.7
428P49.6Very low39.9Very low102 Ų102152.7 Ų152.766%0.66279%0.786SS**  cis-133.2-179.6-10.217.78.3000114.9
429S39.3Very low40.1Very low93 Ų93151.1 Ų151.165%0.6578%0.778SS**  159.4129.5108.357.60000118.4
430R38.4Very low40Very low239 Ų239153.9 Ų153.990%0.90279%0.786SS**  trans61.7151.8135.8-66.2172.8178.9152.2-1.8120.1
431T41.4Very low40Very low130 Ų130152.5 Ų152.580%0.79878%0.777SS**  cis-124.2178.60.748.10000112.4
432R33.7Very low40.2Very low230 Ų230155.7 Ų155.787%0.86878%0.779SS**  trans-164.7135.5178.6178.8-167.1-161.9167.57.8108.3
433D43.9Very low40.3Very low151 Ų151152.1 Ų152.181%0.80777%0.772SS**  trans-122.7157.1176.1-72.4-66.9000112.9
434R34.1Very low40.6Very low211 Ų211150.3 Ų150.380%0.79676%0.762SS**  trans-168.5115.9-167.5174-166.4179.7172.21.5110.6
435E42.2Very low40.7Very low181 Ų181152.3 Ų152.385%0.84675%0.753SS**  trans-93.6164.7163.5-108.461.8-144.600112.2
436S36.3Very low40.4Very low91 Ų91156.4 Ų156.464%0.63675%0.752SS**  trans-161.5143.9-177.354.10000109.9
437D45.2Very low39.9Very low152 Ų152159.3 Ų159.381%0.81375%0.754SS**  trans-150.2179.2171.1-138.365.4000113.2
438W37.3Very low39.8Very low205 Ų205156.6 Ų156.678%0.77775%0.753SS**  trans-104.2162.7-135.4-67.482.6000120
439H38.8Very low39.1Very low156 Ų156159.6 Ų159.672%0.72276%0.758SS**  trans-20.8145.5157.7-73.6-118.8000118.1
440L39.6Very low39.1Very low143 Ų143163.8 Ų163.875%0.74977%0.767SS**  -168.2147.4109.2-129.963.3000114.3
441K41.6Very low38.9Very low165 Ų165158.1 Ų158.172%0.71776%0.764SS**  trans33.6149.4150.1-93.790.4177-165.10121.5
442D41Very low38.9Very low132 Ų132155.6 Ų155.671%0.70676%0.764SS**  cis-155.1-177.76.3-132.9-27.6000113.5
443H39.2Very low39.1Very low160 Ų160153.6 Ų153.674%0.74176%0.764SS**  trans-66.8168.3-178.5-79.4-94.1000116.5
444D43.2Very low39.1Very low108 Ų108153.2 Ų153.258%0.57876%0.76SS**  cis-130.1-129.37.7-151.731.4000111.3
445H41.8Very low39.5Very low151 Ų151152 Ų15270%0.69976%0.761SS**  cis-148.2177.81.3-157.948.2000114.5
446R35.5Very low39Very low195 Ų195154.9 Ų154.974%0.73676%0.764SS**  trans-79.4141.7-168.1-62.1174.4178.6-143.5-5.5112.5
447H36.4Very low39Very low187 Ų187160.8 Ų160.887%0.86677%0.772SS**  62.7108.358.1-78.318.9000115.1
448S37.4Very low38.8Very low106 Ų106160 Ų16074%0.74176%0.764SS**  -168.2164.7130-160.30000112.5
449H35.8Very low39.2Very low165 Ų165157 Ų15776%0.76477%0.768SS**  trans-70.2175.8-175.2-51-89.6000113
450H37.5Very low39.2Very low182 Ų182154.5 Ų154.584%0.84377%0.768SS**  -158.1152.384.1-91.172.1000113.7
451S34.9Very low39.1Very low119 Ų119153.2 Ų153.283%0.83277%0.771SS**  trans-95.4145.2162.6179.70000109.8
452G41.3Very low38.9Very low78 Ų78149.1 Ų149.180%0.80478%0.776SS**  trans-162.370.8-170.800000115.4
453H38Very low38.7Very low187 Ų187152.5 Ų152.587%0.86679%0.787SS**  trans-71127166.9-115.7-60.7000110.7
454I43.4Very low38.8Very low144 Ų144148.3 Ų148.374%0.73879%0.787SS**  trans-168.6138157.5-111.1152.2000112.9
455K43Very low38.5Very low185 Ų185150.6 Ų150.680%0.80480%0.799SS**  trans55.5125166.4-65.2163.2-165.3170.40116.8
456R32Very low38.3Very low242 Ų242152.2 Ų152.291%0.91381%0.812SS**  cis54104.345.4-71.5-170.9170.8-129.94.4115
457R36.9Very low38.4Very low214 Ų214148.3 Ų148.381%0.80882%0.815SS**  -166.9152.4106-94.7-166.6101.5170.2-4.2113.7
458E39.4Very low38.4Very low135 Ų135145.5 Ų145.563%0.63182%0.816SS**  trans-8.4132.9166-66117.1-106.300122.1
459T46.2Very low38.4Very low143 Ų143149.5 Ų149.588%0.87782%0.823SS**  -141.8158.2117.127.30000109.8
460S39.3Very low38.4Very low103 Ų103152.1 Ų152.172%0.7283%0.827SS**  trans-58.6136.2-175.545.40000113.6
461S37.2Very low38.5Very low116 Ų116154.9 Ų154.981%0.81183%0.829SS**  cis72.4105.348.481.70000114.3
462G36.9Very low39Very low79 Ų79156.1 Ų156.181%0.81482%0.822SS**  trans-174.836.8-174.400000115.5G464G462-G464 PolarHBondContact O-N 3.21Å
463H37.7Very low38.8Very low203 Ų203163.8 Ų163.894%0.9483%0.829SS**  trans-80.6114.2179-90.9-74.4000112.4
464G40Very low39Very low72 Ų72162.7 Ų162.774%0.74282%0.823SS**  trans-113.593.5174.500000113.2G462G462-G464 PolarHBondContact O-N 3.21Å
465N38.2Very low38.7Very low156 Ų156167.1 Ų167.183%0.83483%0.831SS**  trans18.9107.2163.1-66.1-24.6000119.8S467N465-S467 PolarHBondContact O-N 3.02Å
466L37.2Very low38.8Very low185 Ų185165.7 Ų165.797%0.96983%0.831SS**  trans-65.4121.4147.4-72.1164.8000109.2
467S37.4Very low39.4Very low114 Ų114159.6 Ų159.680%0.79782%0.823SS**  trans-129.5146.4164.3-168.40000110N465 E469N465-S467 PolarHBondContact O-N 3.02Å; S467-E469 PolarHBondContact O-N 3.03Å
468S37.1Very low39.5Very low128 Ų128154 Ų15490%0.89582%0.816SS**  trans-83.598.3-164.7-53.90000112.5
469E37.3Very low40.4Very low189 Ų189153.6 Ų153.688%0.88383%0.826SS**  trans-105.5132166.9-132-177.8147.500114.5S467 R471S467-E469 PolarHBondContact O-N 3.03Å; E469-R471 PolarHBondContact O-N 3.36Å
470R36.4Very low40.3Very low221 Ų221155.5 Ų155.583%0.83483%0.825SS**  trans-82.279.6-165-178.9-176.5177.3-129.33.5110Q472R470-Q472 PolarHBondContact O-N 2.67Å
471R37.8Very low40.9Very low239 Ų239153.7 Ų153.790%0.90282%0.822SS**  trans-52.3109.7173.7-79.6-167.7173.3-162.5-2.2110.2E469E469-R471 PolarHBondContact O-N 3.36Å
472Q45.9Very low42Very low146 Ų146154.5 Ų154.568%0.68282%0.824SS**  trans-67.4148.3163.7-58.7-165.426.100108.3R470 H474R470-Q472 PolarHBondContact O-N 2.67Å; Q472-H474 VanDerWaalsContact C-N 3.25Å; Q472-H474 PolarHBondContact O-N 2.58Å
473Y37.2Very low42.3Very low239 Ų239156.1 Ų156.194%0.93782%0.823SS**  trans-70.685.8171.4-75.1-86.4000109.4R475Y473-R475 PolarHBondContact O-N 3.25Å
474H42.8Very low42.5Very low164 Ų164154.1 Ų154.176%0.75982%0.819SS**  trans-64.2104.8167.4-86.8-93.6000108.8Q472 L476Q472-H474 VanDerWaalsContact C-N 3.25Å; Q472-H474 PolarHBondContact O-N 2.58Å; H474-L476 PolarHBondContact O-N 2.92Å; H474-L476 VanDerWaalsContact O-N 3.13Å
475R36.7Very low43.5Very low236 Ų236155.9 Ų155.989%0.89182%0.817SS**  trans-44.1113.5165.7168.1-171.7-94-179.8-10.8109.2Y473Y473-R475 PolarHBondContact O-N 3.25Å
476L45.2Very low44.3Very low155 Ų155153.5 Ų153.581%0.81281%0.81SS**PPolyproline II helixtrans-66.6142.4164.6-64.5175.7000109.1H474H474-L476 PolarHBondContact O-N 2.92Å; H474-L476 VanDerWaalsContact O-N 3.13Å
477P44.3Very low44.5Very low115 Ų115152.2 Ų152.275%0.74780%0.804SS**PPolyproline II helixtrans-74.4164.1174.532.1-34.7000111.9
478S38.8Very low44.7Very low95 Ų95152.9 Ų152.966%0.66480%0.798SS**PPolyproline II helixtrans-71.1153.2-176-380000113.4
479P59.6Low44.9Very low127 Ų127152 Ų15283%0.82579%0.791SS**PPolyproline II helix-74.1128.2129.132.9-27.5000108.6G481P479-G481 PolarHBondContact O-N 3.18Å
480E43.1Very low45.1Very low184 Ų184151.5 Ų151.586%0.8679%0.786SS**PPolyproline II helixtrans-76.8120.9179.3-62.8-172.1133.700110.3
481G51.9Low45.3Very low64 Ų64151.2 Ų151.266%0.6679%0.785SS**PPolyproline II helixtrans-71.5141.2171.300000110.4P479 S483P479-G481 PolarHBondContact O-N 3.18Å; G481-S483 PolarHBondContact O-N 3.26Å; G481-S483 VanDerWaalsContact O-N 3.17Å
482P60.3Low45.8Very low133 Ų133145.9 Ų145.986%0.86478%0.781SS**PPolyproline II helixtrans-59.6121.2-17423.2-33.6000111.4L484P482-L484 PolarHBondContact O-N 3.12Å
483S43.4Very low45.6Very low113 Ų113142.7 Ų142.779%0.7978%0.775SS**PPolyproline II helixtrans-65.8128.5176.156.10000110.5G481G481-S483 PolarHBondContact O-N 3.26Å; G481-S483 VanDerWaalsContact O-N 3.17Å
484L42.9Very low45.8Very low161 Ų161139.5 Ų139.584%0.84377%0.774SS**PPolyproline II helixtrans-54135.4172.4-65.6170.9000110.3P482P482-L484 PolarHBondContact O-N 3.12Å
485P59.1Low45.8Very low109 Ų109137.1 Ų137.171%0.70878%0.776SS**PPolyproline II helixtrans-62.3145.4176.126.6-34.2000110.4N487P485-N487 PolarHBondContact O-N 3.26Å
486P55.2Low46.2Very low107 Ų107135 Ų13570%0.69577%0.774SS**PPolyproline II helixtrans-60.7138.4176.126.4-33.9000110.1I488P486-I488 VanDerWaalsContact C-N 3.35Å; P486-I488 PolarHBondContact O-N 3.1Å
487N42.8Very low46.1Very low158 Ų158135.5 Ų135.585%0.84578%0.775SS**  trans-76.583.5-175.5-167.3-24.1000110.7P485 S489P485-N487 PolarHBondContact O-N 3.26Å; N487-S489 VanDerWaalsContact C-N 3.25Å; N487-S489 PolarHBondContact O-N 3.45Å
488I41.9Very low46.1Very low128 Ų128136.2 Ų136.266%0.65677%0.771SS**  trans-75.278.2179.1-53.5176.9000109.4P486 K490P486-I488 VanDerWaalsContact C-N 3.35Å; P486-I488 PolarHBondContact O-N 3.1Å; I488-K490 HydrophobicContact CG2-CB 4.44Å; I488-K490 HydrophobicContact CG2-CD 4.03Å; I488-K490 HydrophobicContact CG2-CG 3.9Å; I488-K490 PolarHBondContact O-N 3.41Å
489S39.4Very low46.3Very low108 Ų108141 Ų14176%0.75578%0.783SS**  trans-71.491.8167.5-1650000109.7N487N487-S489 VanDerWaalsContact C-N 3.25Å; N487-S489 PolarHBondContact O-N 3.45Å
490K43Very low45.3Very low180 Ų180138.4 Ų138.478%0.78378%0.779SS**  trans-114.596.1168-80.5-174.8176-175.80109.9I488I488-K490 HydrophobicContact CG2-CB 4.44Å; I488-K490 HydrophobicContact CG2-CD 4.03Å; I488-K490 HydrophobicContact CG2-CG 3.9Å; I488-K490 PolarHBondContact O-N 3.41Å
491R40.9Very low45.4Very low215 Ų215135.4 Ų135.481%0.81177%0.774SS**  trans-59.4135.2154.5-80.1178.1157.2-138.6-2.9108.6
492P47Very low45.2Very low127 Ų127138.7 Ų138.783%0.82578%0.783SS**  trans-66.2139.514831.2-31.3000108.2
493S43.2Very low44.3Very low79 Ų79137.3 Ų137.355%0.55278%0.777SS**  trans-152.2144.6172.6-64.60000108
494D39.7Very low44.6Very low171 Ų171142 Ų14291%0.91478%0.783SS**  trans-65.2138.7-158.5-51.4-93.4000114.2
495S44.5Very low44.3Very low114 Ų114145.6 Ų145.680%0.79779%0.785SS**  trans-153.3130160.8410000111.2
496K44.3Very low43.5Very low193 Ų193146.7 Ų146.784%0.83979%0.79SS**  trans-96.8125.2179-67.4177.4177.6178.20110.8I498K496-I498 HydrophobicContact CB-CD1 4.42Å
497I42.5Very low43.1Very low164 Ų164149.3 Ų149.384%0.84179%0.791SS**  trans-148.1109.5161-55.5179.5000103.6
498I44.1Very low42.8Very low131 Ų131153.2 Ų153.267%0.67279%0.793SS**  cis77.2133.838.9-51.9-177.4000112.5K496K496-I498 HydrophobicContact CB-CD1 4.42Å
499E43.3Very low42.8Very low194 Ų194154.2 Ų154.291%0.90780%0.795SS**  trans73.9140.4-168.2-48.5-165.5166.300114.7
500G39.9Very low42.9Very low73 Ų73153 Ų15375%0.75379%0.792SS**  cis-142.7171.7300000113.8
501V44Very low42.8Very low122 Ų122150.2 Ų150.274%0.73980%0.795SS**  trans-120.3153.9-167.91770000111S503V501-S503 VanDerWaalsContact CG1-OG 3.31Å; V501-S503 WeakPolarHBondContact CG1-OG 3.23Å
502P48.3Very low42.9Very low133 Ų133144.4 Ų144.486%0.86479%0.793SS**  trans-128.3126.2141.434.7-24.4000113.1
503S41.5Very low42.5Very low103 Ų103143.5 Ų143.572%0.7279%0.79SS**  trans-104.7133.4-174-42.20000113.6V501V501-S503 VanDerWaalsContact CG1-OG 3.31Å; V501-S503 WeakPolarHBondContact CG1-OG 3.23Å
504K48.7Very low42.5Very low211 Ų211145.1 Ų145.192%0.91780%0.801SS**  trans-155.1146.4154-67.5-168.3-176.3170.70108.5
505R38Very low42.5Very low237 Ų237142.5 Ų142.589%0.89480%0.796SS**  cis-162.6143.6-16.8172.4178.2177.8-178.90.4106.8
506T41.3Very low42.4Very low133 Ų133142.4 Ų142.482%0.81680%0.796SS**  trans-87.4147.9-17644.60000114.2
507K46.3Very low42.2Very low161 Ų161138.5 Ų138.570%0.779%0.793SS**  trans-148.7142142.2-155.5-172.3-174.8-158.10109.2E509K507-E509 VanDerWaalsContact CE-CD 3.42Å; K507-E509 WeakPolarHBondContact CE-OE1 3.24Å; K507-E509 WeakPolarHBondContact CE-OE2 3.36Å; K507-E509 IonicContact NZ-OE1 2.91Å; K507-E509 PolarHBondContact NZ-OE1 3.08Å; K507-E509 IonicContact NZ-OE2 2.61Å; K507-E509 PolarHBondContact NZ-OE2 2.68Å
508R36.6Very low42.2Very low240 Ų240135.9 Ų135.991%0.90679%0.789SS**  trans-130.1108.3175.2-68.5174.974.2-166.77.4109.3
509E43.1Very low41.9Very low149 Ų149136.2 Ų136.270%0.69680%0.797SS**  trans-152.6160167.2-69.8172.3-177.400107.6K507K507-E509 VanDerWaalsContact CE-CD 3.42Å; K507-E509 WeakPolarHBondContact CE-OE1 3.24Å; K507-E509 WeakPolarHBondContact CE-OE2 3.36Å; K507-E509 IonicContact NZ-OE1 2.91Å; K507-E509 PolarHBondContact NZ-OE1 3.08Å; K507-E509 IonicContact NZ-OE2 2.61Å; K507-E509 PolarHBondContact NZ-OE2 2.68Å
510A40.9Very low41.8Very low84 Ų84133.1 Ų133.169%0.69480%0.797SS**  -173.8134.8-60.200000108.7
511S40.6Very low41.8Very low120 Ų120135.6 Ų135.684%0.83980%0.803SS**  trans66.2164.7164.3740000119.8
512A43.3Very low41.7Very low93 Ų93135.8 Ų135.877%0.76981%0.81SS**  trans67.7151169.500000119.3
513S39.1Very low41.3Very low109 Ų109135.2 Ų135.276%0.76281%0.809SS**  177.1109.1-58.447.40000110.9
514S43Very low41.4Very low113 Ų113136.2 Ų136.279%0.7982%0.816SS**  trans-174.1131.5163.451.40000109.8
515S39.3Very low40.9Very low115 Ų115132 Ų13280%0.80481%0.813SS**  cis98.569.122.382.50000116.5
516S43.2Very low41.2Very low112 Ų112125.8 Ų125.878%0.78381%0.806SS**  trans-167.1125.3154.153.80000109.6
517S39.6Very low41.3Very low112 Ų112125.2 Ų125.278%0.78381%0.807SS**  cis100.572.518.584.40000116.6
518S42.1Very low41.1Very low109 Ų109120.8 Ų120.876%0.76281%0.808SS**  trans-166.1114.5155.153.50000108.5
519T38.7Very low41.4Very low137 Ų137115.9 Ų115.984%0.8481%0.81SS**  cis74.789.541.776.60000115.7
520S40.8Very low41.1Very low129 Ų129114.5 Ų114.590%0.90282%0.817SS**  trans-155.6120.5150.857.90000109.7
521S38.9Very low41.2Very low125 Ų125116.4 Ų116.487%0.87483%0.825SS**  trans-110146.4-177.948.30000111.7
522S41.8Very low41.1Very low127 Ų127115.9 Ų115.989%0.88882%0.821SS**  trans-146.6125.5163.456.30000110.1
523S40.8Very low41.1Very low120 Ų120119.5 Ų119.584%0.83983%0.828SS**  trans-115143.5-175.353.30000111.5
524S42.3Very low41.1Very low124 Ų124118.9 Ų118.987%0.86782%0.824SS**  trans-143137.2163.8550000109.9
525S39.6Very low40.9Very low122 Ų122118 Ų11885%0.85382%0.817SS**  trans-146.1128.7-166.756.70000112.9
526S43.2Very low40.9Very low107 Ų107117.9 Ų117.975%0.74882%0.816SS**  trans-157.8123.9167.337.10000107.1
527S43.8Very low40.7Very low121 Ų121118.1 Ų118.185%0.84682%0.818SS**  62116.760.479.10000112.6
528G41.7Very low40.6Very low69 Ų69118.5 Ų118.571%0.71182%0.821SS**  cis167.1-151.71.100000111.2
529S42.6Very low40.6Very low136 Ų136117.1 Ų117.195%0.95182%0.824SS**  trans76.8111.7168.2-540000118.2
530S37.3Very low40.5Very low121 Ų121116.4 Ų116.485%0.84682%0.824SS**  trans-99.3144.9165.754.70000111.4
531S42.9Very low40.4Very low124 Ų124116.6 Ų116.687%0.86783%0.825SS**  trans-153.1121.5161.153.70000112.2
532S39.3Very low40.3Very low108 Ų108116 Ų11676%0.75582%0.822SS**  trans-87.3151.9169.952.70000111.5
533N42Very low40.2Very low169 Ų169115.9 Ų115.990%0.90482%0.821SS**  trans-157.1168.2145-106.7-17.6000111.4
534S39.8Very low40.2Very low97 Ų97116.7 Ų116.768%0.67882%0.815SS**  trans-128.9-173.1-149.8600000115.2
535S39.6Very low40.2Very low94 Ų94118.8 Ų118.866%0.65781%0.812SS**  trans74.4110.4149.435.40000119.7
536S38.2Very low40.4Very low112 Ų112116.8 Ų116.878%0.78380%0.798SS**  45.4138.1129.963.50000120
537S40.2Very low40.3Very low118 Ų118120.1 Ų120.183%0.82580%0.801SS**  -167-17960.256.30000114.4
538S37.8Very low40.2Very low120 Ų120118.2 Ų118.284%0.83979%0.788SS**  trans-90150.2-177.353.60000114.5
539G40.7Very low40.3Very low80 Ų80122.9 Ų122.983%0.82579%0.792SS**  trans-164.7115.7166.600000113.5
540S36.4Very low40.3Very low121 Ų121124.1 Ų124.185%0.84678%0.782SS**  trans-100.5145.6174.5-49.50000110.4
541S39.7Very low40.5Very low133 Ų133123.4 Ų123.493%0.9377%0.769SS**  trans-165.1160.1156.1-82.40000112
542S36.2Very low40.4Very low114 Ų114125 Ų12580%0.79776%0.762SS**  trans-141.7145.1-168.3540000112.3
543S41.1Very low40.5Very low124 Ų124127.7 Ų127.787%0.86776%0.763SS**  trans-176.8173.1158.3-99.30000110.2
544N39.3Very low40.4Very low136 Ų136124.4 Ų124.473%0.72774%0.742SS**  -171.3177.2-53.2-152.151.1000107.8
545E42.1Very low40.7Very low168 Ų168125.3 Ų125.379%0.78575%0.749SS**  trans68.3142.9160.9-61.1-174.6172.400117.8
546S44.6Very low41Very low80 Ų80128.4 Ų128.456%0.55975%0.751SS**  cis-165.3150.3-13.3-117.50000112.7
547E41.4Very low41.3Very low177 Ų177132.1 Ų132.183%0.82775%0.753SS**  trans59.8154.8138.5-75.1158.4137.800121.9
548S42Very low41.7Very low82 Ų82132.6 Ų132.657%0.57375%0.751SS**  cis-161.4168.3-3.448.10000114.1
549E43.4Very low41.5Very low167 Ų167135.4 Ų135.478%0.7875%0.751SS**  trans61.9165.4147.6-72.1153.1139.200120.2
550E43.3Very low41.9Very low162 Ų162140 Ų14076%0.75775%0.754SS**  cis-165.1166.6-40.4-119.7-160.7-145.200107.6
551N39.9Very low42.4Very low105 Ų105142.4 Ų142.456%0.56175%0.752SS**  cis-163.2-170.6-10.1-150.1-15000111.4
552E41.4Very low42.6Very low157 Ų157142.9 Ų142.973%0.73474%0.743SS**  trans19.3156.5146.5-79.1171.6-178.500123.6
553E42.5Very low43Very low166 Ų166142.8 Ų142.878%0.77674%0.739SS**  cis-152.3-178.48.3-137.3-150.8138.200115.2
554E39.4Very low43Very low99 Ų99146 Ų14646%0.46374%0.738SS.*  trans-46.9155.5-175.6-163.2-140.7-15400122.6K556E554-K556 HydrophobicContact CG-CG 4.47Å; E554-K556 WeakPolarHBondContact OE1-CE 3.4Å; E554-K556 WeakPolarHBondContact OE1-CG 3.37Å; E554-K556 IonicContact OE1-NZ 2.61Å; E554-K556 PolarHBondContact OE1-NZ 3.49Å; E554-K556 IonicContact OE2-NZ 2.74Å; E554-K556 PolarHBondContact OE2-NZ 2.85Å
555S45.1Very low43.3Very low117 Ų117147.5 Ų147.582%0.81874%0.738SS**  trans-165.991.2135.2-89.50000118.1
556K45.8Very low43.5Very low159 Ų159146.4 Ų146.469%0.69173%0.733SS**  trans25.9132.5137.2-56.9175.9165.775.10123.1E554E554-K556 HydrophobicContact CG-CG 4.47Å; E554-K556 WeakPolarHBondContact OE1-CE 3.4Å; E554-K556 WeakPolarHBondContact OE1-CG 3.37Å; E554-K556 IonicContact OE1-NZ 2.61Å; E554-K556 PolarHBondContact OE1-NZ 3.49Å; E554-K556 IonicContact OE2-NZ 2.74Å; E554-K556 PolarHBondContact OE2-NZ 2.85Å
557K45.9Very low43.5Very low190 Ų190150.7 Ų150.783%0.82674%0.743SS**  -157.8105128.7-166.6132.9-173.4174.50117.2
558T46.9Very low43.6Very low127 Ų127146.9 Ų146.978%0.77973%0.732SS**  trans58.7129.9151.651.90000123.3
559Q35.2Very low44Very low180 Ų180149 Ų14984%0.84175%0.745SS**  trans-110.4168.7164-58.1173.3-0.700111.3
560I49.2Very low44.2Very low176 Ų176150.2 Ų150.290%0.90375%0.75SS**  trans-140.9154.3153.9-61.6-173.9000108.4
561E46Very low44.8Very low172 Ų172145.9 Ų145.980%0.80475%0.749SS**  trans-100.7131.6-152.6-59.4167.3100.800118.2
562I44.6Very low45.5Very low143 Ų143147.3 Ų147.373%0.73376%0.764SS**  16129116.9-56.3177000116
563P44.5Very low45.8Very low111 Ų111144.5 Ų144.572%0.72177%0.767SS**  -157.714075.139.4-17000122.4
564K40.9Very low46.3Very low192 Ų192144.5 Ų144.584%0.83577%0.772SS**  42.6122.7128.6-54.7172.8-179.4174.20122.6
565K46.2Very low47.8Very low167 Ų167145.1 Ų145.173%0.72678%0.784SS**  -177.2143.9111.7-116.8-178.8164.5-122.80115.3
566E44.4Very low48.4Very low146 Ų146145.1 Ų145.168%0.68278%0.782SS**  trans49.6146.6144.5-76.1157.9-175.700122.3
567H45.2Very low48.1Very low169 Ų169147.4 Ų147.478%0.78280%0.795SS**  cis-158.7164.3-11.3-176.969.4000110.6
568T43.1Very low48Very low97 Ų97143.3 Ų143.360%0.59579%0.79SS**  trans-75.6166.4-178-50000113.8
569P52.1Low47.5Very low128 Ų128146.5 Ų146.583%0.83180%0.796SS**  -143.5-169.373.638-17.1000115.9
570E45.7Very low47.9Very low191 Ų191144.6 Ų144.689%0.89380%0.797SS**  trans-99.7157.6-154-53.9175.8107.300118
571G56.6Low47.7Very low71 Ų71141.1 Ų141.173%0.73279%0.788SS**  trans104.8159.4131.800000118.7
572P53.8Low48Very low136 Ų136141.6 Ų141.688%0.88379%0.79SS**  cis-109.6-178.8-7.340-29.2000113.6
573A48.8Very low48.9Very low97 Ų97140.7 Ų140.780%0.80279%0.794SS**PPolyproline II helixtrans-81.5162.2-167.900000116.5
574L53.3Low49Very low167 Ų167145.2 Ų145.287%0.87481%0.805SS**PPolyproline II helixtrans-82145.1165.4-67.8168.3000110.7
575P69.9Low49.8Very low111 Ų111139.1 Ų139.172%0.72180%0.797SS**PPolyproline II helixtrans-74.9156.8173.132.6-35.2000112
576P57.6Low50.2Low118 Ų118137.5 Ų137.577%0.76680%0.803SS**PPolyproline II helixtrans-72.3161.717931.4-36.4000112.9
577E40.1Very low50.6Low206 Ų206135 Ų13596%0.96381%0.808SS**PPolyproline II helixtrans-61.5136.7171.4-58.7-174133.800110.3
578S43.6Very low50.9Low105 Ų105135.1 Ų135.173%0.73481%0.813SS**  trans-121.6131.4179.727.90000109.8V580S578-V580 PolarHBondContact O-N 3.32Å
579E37.6Very low52.2Low193 Ų193135.9 Ų135.990%0.90282%0.82SS**  trans-63.7124179.2-61.2-170.3132.800110.7S581E579-S581 PolarHBondContact O-N 3.09Å
580V43.5Very low52.3Low140 Ų140135.6 Ų135.685%0.84882%0.818SS**  trans-88.8100.4173.31780000108.2S578S578-V580 PolarHBondContact O-N 3.32Å
581S43.8Very low52.1Low103 Ų103130.8 Ų130.872%0.7281%0.811SS**PPolyproline II helixtrans-56.6142176-48.30000112E579E579-S581 PolarHBondContact O-N 3.09Å
582Q53.5Low51.7Low183 Ų183133.5 Ų133.586%0.85581%0.813SS**PPolyproline II helixtrans-69.1135.8170.3-61.4179.24.200109.8
583P63.6Low51.2Low124 Ų124135.7 Ų135.781%0.80581%0.812SS**PPolyproline II helixtrans-78.3121.9171.330.5-31.7000110.3G585P583-G585 PolarHBondContact O-N 3.06Å
584E46.3Very low51Low206 Ų206138.3 Ų138.396%0.96381%0.811SS**PPolyproline II helixtrans-62.3133.8170.4-67.6-169.9124.100111.1
585G57.5Low50.5Low64 Ų64134.5 Ų134.566%0.6680%0.804SS**  trans-134.8141.6174.900000109.6P583P583-G585 PolarHBondContact O-N 3.06Å
586P55.3Low49.2Very low132 Ų132136.2 Ų136.286%0.85781%0.812SS**  trans-81.9135.4-145.628.7-36.6000116.1
587A51.5Low48.2Very low94 Ų94137.3 Ų137.378%0.77781%0.807SS**  trans39.2106.3145.200000118.9
588L52.9Low47.9Very low171 Ų171137.9 Ų137.990%0.89580%0.8SS**PPolyproline II helixtrans-65.1135.1161.8-64.3168.7000111.1
589P68.6Low47.8Very low114 Ų114137.4 Ų137.474%0.7480%0.797SS**PPolyproline II helixtrans-72.8142.3159.631.6-32.4000109.9
590P54.5Low47.8Very low121 Ų121137.4 Ų137.479%0.78680%0.797SS**PPolyproline II helixtrans-78.1150-178.531.7-35.5000113.2
591A42.8Very low47.8Very low91 Ų91138.2 Ų138.275%0.75280%0.797SS**  trans31.1110.3154.900000119.4
592V46.7Very low47.7Very low128 Ų128138.4 Ų138.478%0.77680%0.795SS**  trans-124.991.4144.2-177.40000107.6L594V592-L594 HydrophobicContact CG1-CD2 4.27Å; V592-L594 HydrophobicContact CG1-CG 4.34Å; V592-L594 PolarHBondContact O-N 3.4Å
593E44.3Very low47.1Very low182 Ų182135.7 Ų135.785%0.8579%0.791SS**  trans-71111.1165.1-69.4-168.3144.200108.5A595E593-A595 PolarHBondContact O-N 3.1Å
594L43.4Very low46.1Very low152 Ų152139.3 Ų139.380%0.79680%0.797SS**  trans-8078.8167.3-73.5176.6000109V592 V596V592-L594 HydrophobicContact CG1-CD2 4.27Å; V592-L594 HydrophobicContact CG1-CG 4.34Å; V592-L594 PolarHBondContact O-N 3.4Å; L594-V596 PolarHBondContact O-N 2.97Å
595A43.6Very low45.7Very low86 Ų86135.5 Ų135.571%0.71179%0.793SS**  trans-60.8103.8164.200000109E593 E597E593-A595 PolarHBondContact O-N 3.1Å; A595-E597 VanDerWaalsContact C-N 3.32Å; A595-E597 PolarHBondContact O-N 3.38Å; A595-E597 VanDerWaalsContact O-N 3.15Å
596V42.2Very low44.9Very low148 Ų148136.1 Ų136.190%0.89780%0.799SS**  trans-84.881.9172.6-177.70000108L594L594-V596 PolarHBondContact O-N 2.97Å
597E37.4Very low44.2Very low141 Ų141135.5 Ų135.566%0.65980%0.798SS**  trans-139.6157.2175.8-163.9-170.8-147.500108.6A595A595-E597 VanDerWaalsContact C-N 3.32Å; A595-E597 PolarHBondContact O-N 3.38Å; A595-E597 VanDerWaalsContact O-N 3.15Å
598W33.3Very low43.7Very low218 Ų218137.8 Ų137.883%0.82680%0.803SS**  trans67.6137.8-177.6-46.475.2000113.9
599S40.7Very low42.9Very low95 Ų95135.3 Ų135.366%0.66480%0.8SS**  cis-133.8145.27.4-540000112.1
600E39.2Very low42.2Very low193 Ų193136.2 Ų136.290%0.90281%0.805SS**  trans-67.4126.8158.9-63.3-179.6109.400109.6P602E600-P602 WeakPolarHBondContact O-CD 3.43Å
601N42.9Very low41.5Very low157 Ų157135.5 Ų135.584%0.8480%0.803SS**  trans-104.6107.1170.3-84.7-42.9000109.6
602P41.7Very low41.4Very low106 Ų106136.3 Ų136.369%0.68880%0.804SS**  trans-82.4161.8174.634.1-35.2000112.4E600E600-P602 WeakPolarHBondContact O-CD 3.43Å
603V41.7Very low41.1Very low126 Ų126135.7 Ų135.776%0.76480%0.8SS**  trans51.7102.4161.2-66.20000119.5
604H41Very low41Very low201 Ų201132.6 Ų132.693%0.93179%0.794SS**  -136.6117.5127.1-91.3-63.1000110.5
605S39.5Very low40.9Very low125 Ų125131.2 Ų131.287%0.87480%0.797SS**  trans-82.8130172.638.20000110.4
606G39.6Very low40.7Very low78 Ų78130.3 Ų130.380%0.80480%0.796SS**  trans-143.2107177.600000110.2
607S40.4Very low40.6Very low119 Ų119129.2 Ų129.283%0.83280%0.795SS**  trans-95.9133.5-179.151.70000111.2
608T42.2Very low40.8Very low142 Ų142127.5 Ų127.587%0.87180%0.798SS**  trans-157.9116.8156.225.60000109.7
609S36.2Very low41.3Very low119 Ų119122.6 Ų122.683%0.83280%0.797SS**  trans-108.9151.9159.7-52.10000108.6
610P53.6Low41.5Very low132 Ų132121.2 Ų121.286%0.85780%0.799SS**  trans-121.7159.9144.635.7-27.7000111.4
611S38.6Very low41.8Very low106 Ų106119.2 Ų119.274%0.74179%0.794SS**  trans-141.6166.4-171.8580000112.2
612S41.5Very low42Very low109 Ų109119.5 Ų119.576%0.76279%0.79SS**  trans68.8160.1174.181.80000115.5
613T40.9Very low42.1Very low114 Ų114122.4 Ų122.470%0.69980%0.795SS**  cis-147128.815.819.50000110.3
614T41.7Very low42.3Very low117 Ų117120 Ų12072%0.71878%0.783SS**  77.5129.6103.765.80000121.1
615S40.9Very low42.7Very low123 Ų123118.6 Ų118.686%0.8678%0.777SS**  trans59.7146.4150.155.40000121.3
616G39.1Very low42.9Very low68 Ų68120.4 Ų120.470%0.70177%0.772SS**  cis160.1154.4-7.400000113.1
617S41.2Very low43.4Very low124 Ų124122 Ų12287%0.86777%0.77SS**  trans49.3154.6159.3-63.80000121.4
618S40.6Very low43.4Very low105 Ų105119.5 Ų119.573%0.73476%0.764SS**  cis178.6168.6-11-89.20000107.5
619S43.5Very low43.5Very low115 Ų115119 Ų11980%0.80477%0.766SS**  cis-176.5154.1-24.153.30000109.9
620G45.1Very low43.8Very low67 Ų67118.1 Ų118.169%0.69176%0.76SS**  trans98166.7170.300000116.7
621D45.6Very low43.2Very low151 Ų151117.2 Ų117.281%0.80776%0.757SS**  cis-167.9173.2-19.9-124.1-56.1000112.9
622E46.4Very low43.4Very low162 Ų162117.9 Ų117.976%0.75776%0.761SS**  trans69.8118.5165.3-52.3-126.9115.700118.7
623H44.8Very low43.3Very low168 Ų168120.5 Ų120.578%0.77877%0.767SS**  75.4143.684.2-84.5-79.9000116
624S46.3Very low43.5Very low75 Ų75120.1 Ų120.152%0.52477%0.769SS.*  cis-161.6168.26.5-139.50000114.7
625E48.7Very low43.5Very low172 Ų172121.1 Ų121.180%0.80477%0.77SS**  trans61.9160.2153-73.5143.2-108.700121.3
626E44.2Very low43.6Very low162 Ų162120.4 Ų120.476%0.75777%0.765SS**  cis-154.4148.48.1-150.5-160.614700114.2
627S49.3Very low43.8Very low111 Ų111120.7 Ų120.778%0.77677%0.767SS**  trans55.5151.6153.477.10000122.9
628G41Very low43.7Very low68 Ų68121 Ų12170%0.70177%0.769SS**  cis167.9140.4-1400000115.7
629S44.3Very low43.8Very low130 Ų130122 Ų12291%0.90978%0.777SS**  trans56.7165154.1-54.10000120.6
630S41.6Very low43.6Very low102 Ų102122.5 Ų122.571%0.71378%0.78SS**  cis-158.8131.7540.60000107.9
631S42.5Very low43.5Very low112 Ų112122.3 Ų122.378%0.78378%0.778SS**  76.9123.460.176.40000117.1
632S41.8Very low43.2Very low120 Ų120122.4 Ų122.484%0.83979%0.785SS**  trans-173.8125.6150.759.30000113.9
633D40.1Very low42.8Very low164 Ų164118.4 Ų118.488%0.87779%0.787SS**  trans-101.2176.2168.1-66-92.5000111.7
634S44.6Very low42.4Very low107 Ų107116 Ų11675%0.74879%0.788SS**  trans146.3148.5159.2-92.90000111.6
635D42.3Very low42.1Very low138 Ų138117.7 Ų117.774%0.73880%0.801SS**  cis-155.4-175.1-8.1-136.7-79.1000113.5
636S41.6Very low41.4Very low108 Ų108114.6 Ų114.676%0.75580%0.798SS**  trans-69.5167.1-171.454.90000118.8
637G45Very low41Very low73 Ų73112.3 Ų112.375%0.75380%0.8SS**  trans176.5117166.200000113.9
638S37.4Very low40.5Very low130 Ų130111 Ų11191%0.90979%0.79SS**  trans-145.6136.4-179.8-64.20000112.6
639S44.3Very low40.4Very low128 Ų128115.9 Ų115.990%0.89580%0.795SS**  trans-162.9148.6170.158.90000112.3
640S38.5Very low40.2Very low125 Ų125114.2 Ų114.287%0.87478%0.783SS**  trans-128.1148.2-171.556.60000114.1
641G42.9Very low40.7Very low62 Ų62118.7 Ų118.764%0.63979%0.793SS**  trans174.7115.7164.100000110.5
642T40.1Very low40.5Very low154 Ų154120.5 Ų120.595%0.94579%0.794SS**  70.2111.665.565.80000114.7
643G38.2Very low40.6Very low78 Ų78122.7 Ų122.780%0.80479%0.791SS**  trans172.1135.4171.400000111
644S36.5Very low40.6Very low116 Ų116118.6 Ų118.681%0.81178%0.78SS**  trans-132.5-179.9-167.6-57.10000112.3
645S39.1Very low40.6Very low112 Ų112120.8 Ų120.878%0.78378%0.776SS**  trans77.3139.1176.570.10000116.2
646S33.9Very low40.4Very low107 Ų107119.6 Ų119.675%0.74877%0.774SS**  cis118145.3-3.674.70000115.6
647S36.6Very low40.5Very low114 Ų114123.3 Ų123.380%0.79778%0.777SS**  trans71.4155169.6-95.50000117.6
648S37.5Very low40.3Very low82 Ų82126.2 Ų126.257%0.57377%0.774SS**  cis-171.3-171.9-27.942.10000109.7
649E40.3Very low40.6Very low171 Ų171127.4 Ų127.480%0.79977%0.765SS**  trans75.7128.4164.2-58.5167112.100116
650S40.4Very low40.5Very low95 Ų95129 Ų12966%0.66476%0.756SS**  cis96.7113.413.986.10000116.7
651E51.3Low40.8Very low196 Ų196127.4 Ų127.492%0.91675%0.745SS**  trans-135.5146.8155-72.8-161116.100110.3
652N38.5Very low40.9Very low151 Ų151130.7 Ų130.781%0.80774%0.743SS**  trans-124.5146.3173.4-58.3-93.2000107.9
653E43.7Very low41.1Very low165 Ų165132.6 Ų132.677%0.77173%0.733SS**  trans-160162.2145.5-121.1-153.4147.900113.8K655E653-K655 WeakPolarHBondContact OE1-CE 3.5Å; E653-K655 IonicContact OE1-NZ 2.63Å; E653-K655 PolarHBondContact OE1-NZ 3.27Å; E653-K655 IonicContact OE2-NZ 2.67Å; E653-K655 PolarHBondContact OE2-NZ 2.69Å
654A39Very low41.3Very low79 Ų79135.8 Ų135.865%0.65373%0.732SS**  trans-134.3136.8-17800000112.6
655K46.5Very low41.5Very low152 Ų152133.7 Ų133.766%0.66173%0.728SS**  trans-149118.6158.5-75.7102.4-162.1-166.90106.5E653E653-K655 WeakPolarHBondContact OE1-CE 3.5Å; E653-K655 IonicContact OE1-NZ 2.63Å; E653-K655 PolarHBondContact OE1-NZ 3.27Å; E653-K655 IonicContact OE2-NZ 2.67Å; E653-K655 PolarHBondContact OE2-NZ 2.69Å
656T38.1Very low41.8Very low114 Ų114138.5 Ų138.570%0.69974%0.735SS**  69.9138.952.776.20000115.1
657K43.8Very low42.1Very low186 Ų186141.7 Ų141.781%0.80974%0.738SS**  trans79.2149.6175.8-53.9174.2-178.2175.40116.3
658L39.6Very low43Very low133 Ų133141.2 Ų141.270%0.69673%0.732SS**  cis-166167.8-18-110171.9000109.5
659H43.5Very low43.1Very low155 Ų155143.6 Ų143.672%0.71874%0.738SS**  trans72.5148.5156.5-73.8173.1000119.8
660K42.5Very low43Very low162 Ų162142.2 Ų142.270%0.70474%0.737SS**  cis-169.4162.3-16.3-175.4169.8176.8177.50110.8
661S45.7Very low42.9Very low91 Ų91145.4 Ų145.464%0.63675%0.746SS**  trans72142.415630.20000120.2
662E43.2Very low42.5Very low131 Ų131139.1 Ų139.161%0.61273%0.733SS**  cis-167.2149.2-12-117.7-179.9134.300113.5
663R44.7Very low42.8Very low195 Ų195139.5 Ų139.574%0.73674%0.735SS**  trans65.6151.7148.5-65.9180-161.8-162.69.2119.7
664N42.5Very low42.8Very low144 Ų144138.7 Ų138.777%0.7773%0.731SS**  cis-162.7135.6-9.8-117.5-4.6000113.8
665G41.8Very low43.1Very low72 Ų72141.1 Ų141.174%0.74273%0.731SS**  trans70.4161.4148.800000120.1
666K45.4Very low43.2Very low213 Ų213139 Ų13993%0.92674%0.735SS**  cis-158.9148-7.5-123.6170.4-177.6178.80112.7
667H40.5Very low44.1Very low174 Ų174138.7 Ų138.781%0.80674%0.735SS**  trans-69.2-173.7171.4-78.5-95.7000113.3
668P53.8Low44.2Very low104 Ų104139.1 Ų139.168%0.67574%0.74SS**  cis-143175.35.819.69.1000120
669N39.8Very low44.7Very low132 Ų132136.2 Ų136.271%0.70674%0.742SS**  trans46.6127.3139.3-55.50.7000125.3
670N39.5Very low45.1Very low143 Ų143134.4 Ų134.477%0.76574%0.744SS**  -171.4142.8109.7-93-15.9000108.8
671L38.3Very low45.2Very low162 Ų162134.8 Ų134.885%0.84875%0.748SS**  cis90.5126.640.1-70.5-175.4000114.8
672G41.3Very low45.3Very low64 Ų64138 Ų13866%0.6676%0.757SS**  trans121.9102-177.300000111.4
673N45.3Very low45.7Very low158 Ų158137.4 Ų137.485%0.84577%0.765SS**  68.6136.282.6-66.910.3000112.7
674H43.3Very low46.2Very low148 Ų148133.4 Ų133.469%0.68576%0.764SS**  cis-150.816530-173.3-89.9000114.3
675M46.4Very low46.1Very low131 Ų131132 Ų13265%0.64577%0.766SS**  trans-63.4167.4175.2-48.284.270.300113.6
676S48.7Very low46Very low106 Ų106133.6 Ų133.674%0.74177%0.765SS**  -168.2175.259.1-102.50000114.3
677P57.6Low45.6Very low108 Ų108134.9 Ų134.970%0.70176%0.764SS**  trans-133.6-151.2-140.639.2-16.9000116.8
678E45Very low45.5Very low195 Ų195132.8 Ų132.891%0.91177%0.769SS**  trans78.7146.6172-53.7179.6126.500116.4
679G50Low44.6Very low72 Ų72132.7 Ų132.774%0.74277%0.771SS**  cis147.7165.9-0.800000110.5
680P52.7Low44.6Very low117 Ų117131.4 Ų131.476%0.7677%0.772SS**  cis-135.1173.3-9.742.4-24.9000116.6
681E43.5Very low44.6Very low171 Ų171133.4 Ų133.480%0.79978%0.777SS**  trans41.1137.9146.8-62.4-177.7132.300123.7
682L47.7Very low44.7Very low158 Ų158135.3 Ų135.383%0.82778%0.778SS**  cis83.6160.940-64.4176.7000114.6
683P52.6Low44.6Very low118 Ų118144 Ų14477%0.76679%0.791SS**  cis-131.9-135.35.146-24.4000114.4
684P54.9Low44.3Very low112 Ų112143.1 Ų143.173%0.72779%0.787SS**  trans-139.6-166.3-132.241.2-15.5000119.7
685S39.4Very low44.3Very low115 Ų115144.1 Ų144.180%0.80480%0.797SS**  trans83.5153.5161.4940000117.7
686S40.4Very low44.4Very low104 Ų104142.6 Ų142.673%0.72780%0.799SS**  cis-156158.6-6.560.70000114.2
687R36.1Very low44.5Very low241 Ų241146.4 Ų146.491%0.90981%0.805SS**  trans30.7123.8153.8-71176.1162-173.6-5.6121.7
688S39.7Very low44.8Very low130 Ų130146.3 Ų146.391%0.90980%0.795SS**  -175171.6105.650.10000113.8
689S34.8Very low46.3Very low102 Ų102140.6 Ų140.671%0.71378%0.776SS**  trans-79.6144.6-164-179.50000115.9
690S38.9Very low47.7Very low105 Ų105142.6 Ų142.673%0.73477%0.774SS**  177.9127.3112.3-77.50000115.4
691H40.1Very low49Very low184 Ų184142.1 Ų142.185%0.85276%0.762SS**  trans29.2120.2155.8-71.382.9000121.6
692K41.2Very low50.8Low203 Ų203137.6 Ų137.688%0.88374%0.741SS**  trans-67.7150.7168.4-73.3-177.4173.8-177.90112.3
693R37.5Very low52.5Low245 Ų245133.8 Ų133.893%0.92572%0.724SS**  trans-96.8133.7162.5-58.6176.3-174.8173.40.1109.2
694N39Very low54.3Low141 Ų141133.3 Ų133.375%0.75471%0.714SS**  trans-117.7136.9153.6-71.2-2.1000106.5
695D45Very low55.9Low168 Ų168134.6 Ų134.690%0.89871%0.705SS**  trans160.3138.6144.1-81.2-18.5000108.5
696S48.5Very low58.3Low100 Ų100135.1 Ų135.170%0.69969%0.689SS**  trans-135.7155.2-166.550.70000112.2
697H49.1Very low60.7Low185 Ų185139 Ų13986%0.85669%0.688SS**  trans75.952.1-175.7-50.6-81.3000115.9
698E65.4Low63.2Low106 Ų106130.2 Ų130.250%0.49567%0.666SS.*  trans-70.7131.4159.1-160.5167.1-108.800109.9E702 R706E698-E702 HydrophobicContact CG-CB 4.1Å; E698-E702 HydrophobicContact CG-CG 4.04Å; E698-R706 IonicContact OE1-CZ 3.68Å; E698-R706 IonicContact OE1-NH1 2.81Å; E698-R706 PolarHBondContact OE1-NH1 2.73Å; E698-R706 IonicContact OE1-NH2 2.73Å; E698-R706 PolarHBondContact OE1-NH2 3.17Å; E698-R706 IonicContact OE2-CZ 2.92Å; E698-R706 IonicContact OE2-NH1 3.8Å; E698-R706 PolarHBondContact OE2-NH1 2.96Å; E698-R706 IonicContact OE2-NH2 3.88Å
699S75.5Confident65.6Low75 Ų75129 Ų12952%0.52465%0.649SS.*  trans-68.9148.1-173.3179.60000112.9E701 E702 V703S699-E701 PolarHBondContact O-N 3.18Å; S699-E701 PolarHBondContact OG-N 3.3Å; S699-E702 WeakPolarHBondContact O-CB 3.41Å; S699-E702 PolarHBondContact O-N 3.07Å; S699-V703 PolarHBondContact O-N 2.77Å; S699-V703 VanDerWaalsContact O-N 3.14Å
700V80.5Confident68.1Low114 Ų114130.5 Ų130.569%0.69165%0.645SS**Hα-helixtrans-55.2-34.1174.9-179.70000111.7L704V700-L704 HydrophobicContact CG1-CD1 4.29Å; V700-L704 WeakPolarHBondContact O-CG 3.21Å; V700-L704 PolarHBondContact O-N 2.95Å; V700-L704 VanDerWaalsContact O-N 3.1Å
701E79.3Confident70.3Confident107 Ų107129.3 Ų129.350%0.564%0.636SS.*Hα-helixtrans-68.3-36.6176.3-158.5-168.8149.300112.2S699 L704 R705S699-E701 PolarHBondContact O-N 3.18Å; S699-E701 PolarHBondContact OG-N 3.3Å; E701-L704 PolarHBondContact O-N 3.18Å; E701-R705 WeakPolarHBondContact O-CB 3.4Å; E701-R705 VanDerWaalsContact O-CG 3.28Å; E701-R705 WeakPolarHBondContact O-CG 3.5Å; E701-R705 PolarHBondContact O-N 3.25Å; E701-R705 IonicContact OE1-CZ 2.95Å; E701-R705 IonicContact OE1-NE 2.7Å; E701-R705 PolarHBondContact OE1-NE 3.01Å; E701-R705 IonicContact OE1-NH2 3.92Å; E701-R705 PolarHBondContact OE1-NH2 2.87Å
702E80.8Confident72.3Confident76 Ų76126 Ų12636%0.35562%0.624SS.*Hα-helixtrans-68.6-38.5178.9-163.959.3-152.100111.1E698 S699 L704 R705 R706E698-E702 HydrophobicContact CG-CB 4.1Å; E698-E702 HydrophobicContact CG-CG 4.04Å; S699-E702 WeakPolarHBondContact O-CB 3.41Å; S699-E702 PolarHBondContact O-N 3.07Å; E702-L704 VanDerWaalsContact C-N 3.34Å; E702-L704 PolarHBondContact O-N 3.27Å; E702-R705 PolarHBondContact O-N 2.86Å; E702-R706 PolarHBondContact O-N 3.33Å
703V84.6Confident74.3Confident78 Ų78121.6 Ų121.647%0.47361%0.61SS.*Hα-helixtrans-61.7-41.2171.6178.90000111.2S699 R707S699-V703 PolarHBondContact O-N 2.77Å; S699-V703 VanDerWaalsContact O-N 3.14Å; V703-R707 WeakPolarHBondContact O-CB 3.44Å; V703-R707 PolarHBondContact O-N 3.46Å
704L90.3Very high76.3Confident109 Ų109119.5 Ų119.557%0.57160%0.602SS**Hα-helixtrans-67.7-42.7175.3-75.4165.8000112.3V700 E701 E702 R707 A708V700-L704 HydrophobicContact CG1-CD1 4.29Å; V700-L704 WeakPolarHBondContact O-CG 3.21Å; V700-L704 PolarHBondContact O-N 2.95Å; V700-L704 VanDerWaalsContact O-N 3.1Å; E701-L704 PolarHBondContact O-N 3.18Å; E702-L704 VanDerWaalsContact C-N 3.34Å; E702-L704 PolarHBondContact O-N 3.27Å; L704-R707 PolarHBondContact O-N 3.48Å; L704-A708 WeakPolarHBondContact O-CB 3.47Å; L704-A708 PolarHBondContact O-N 2.88Å
705R88.3Confident78Confident139 Ų139116 Ų11653%0.52559%0.588SS.*Hα-helixtrans-60.3-46.9176-74170.7178.9-151.12.6111.5E701 E702 A708 L709E701-R705 WeakPolarHBondContact O-CB 3.4Å; E701-R705 VanDerWaalsContact O-CG 3.28Å; E701-R705 WeakPolarHBondContact O-CG 3.5Å; E701-R705 PolarHBondContact O-N 3.25Å; E701-R705 IonicContact OE1-CZ 2.95Å; E701-R705 IonicContact OE1-NE 2.7Å; E701-R705 PolarHBondContact OE1-NE 3.01Å; E701-R705 IonicContact OE1-NH2 3.92Å; E701-R705 PolarHBondContact OE1-NH2 2.87Å; E702-R705 PolarHBondContact O-N 2.86Å; R705-A708 PolarHBondContact O-N 3.1Å; R705-L709 WeakPolarHBondContact O-CG 3.47Å; R705-L709 PolarHBondContact O-N 2.87Å
706R90.1Very high79.1Confident126 Ų126111.8 Ų111.848%0.47557%0.572SS.*Hα-helixtrans-60.9-45.7174.3-74.2-170.1-174.3148.112.6112.4E698 E702 A708 L709 E710E698-R706 IonicContact OE1-CZ 3.68Å; E698-R706 IonicContact OE1-NH1 2.81Å; E698-R706 PolarHBondContact OE1-NH1 2.73Å; E698-R706 IonicContact OE1-NH2 2.73Å; E698-R706 PolarHBondContact OE1-NH2 3.17Å; E698-R706 IonicContact OE2-CZ 2.92Å; E698-R706 IonicContact OE2-NH1 3.8Å; E698-R706 PolarHBondContact OE2-NH1 2.96Å; E698-R706 IonicContact OE2-NH2 3.88Å; E702-R706 PolarHBondContact O-N 3.33Å; R706-A708 VanDerWaalsContact C-N 3.3Å; R706-A708 PolarHBondContact O-N 3.37Å; R706-L709 PolarHBondContact O-N 2.97Å; R706-E710 PolarHBondContact O-N 3.31Å
707R89.2Confident79.9Confident186 Ų186114.4 Ų114.470%0.70257%0.573SS**Hα-helixtrans-63.1-34.6178.9-169173.4-175.31601.4112.8V703 L704 S711V703-R707 WeakPolarHBondContact O-CB 3.44Å; V703-R707 PolarHBondContact O-N 3.46Å; L704-R707 PolarHBondContact O-N 3.48Å; R707-S711 PolarHBondContact O-N 2.63Å
708A90.1Very high80.5Confident55 Ų55114.7 Ų114.746%0.45557%0.572SS.*Hα-helixtrans-67.9-44.517300000112L704 R705 R706 S711 L712L704-A708 WeakPolarHBondContact O-CB 3.47Å; L704-A708 PolarHBondContact O-N 2.88Å; R705-A708 PolarHBondContact O-N 3.1Å; R706-A708 VanDerWaalsContact C-N 3.3Å; R706-A708 PolarHBondContact O-N 3.37Å; A708-S711 WeakPolarHBondContact O-CB 3.19Å; A708-S711 PolarHBondContact O-N 3.47Å; A708-L712 PolarHBondContact O-N 3.47Å
709L88.7Confident80.1Confident104 Ų104120.6 Ų120.655%0.54559%0.59SS.*Hα-helixtrans-64.2-43.7176.4-73.7171.8000112.4R705 R706 S711 L712 L713R705-L709 WeakPolarHBondContact O-CG 3.47Å; R705-L709 PolarHBondContact O-N 2.87Å; R706-L709 PolarHBondContact O-N 2.97Å; L709-S711 VanDerWaalsContact C-N 3.29Å; L709-S711 PolarHBondContact O-N 3.28Å; L709-L712 PolarHBondContact O-N 2.81Å; L709-L712 VanDerWaalsContact O-N 3.15Å; L709-L713 WeakPolarHBondContact O-CD1 3.06Å; L709-L713 PolarHBondContact O-N 2.92Å
710E87.8Confident79.2Confident135 Ų135128 Ų12863%0.63161%0.606SS**Hα-helixtrans-58.1-41.4173.7-77.3-162.9120.200112R706 L712 L713 R714R706-E710 PolarHBondContact O-N 3.31Å; E710-L712 VanDerWaalsContact C-N 3.34Å; E710-L712 PolarHBondContact O-N 3.12Å; E710-L713 PolarHBondContact O-N 3.48Å; E710-R714 WeakPolarHBondContact O-CB 3.19Å; E710-R714 PolarHBondContact O-N 3.03Å
711S85.9Confident77.9Confident79 Ų79126.3 Ų126.355%0.55261%0.612SS**Hα-helixtrans-62-40.8176.2-167.20000112.1R707 A708 L709 S715R707-S711 PolarHBondContact O-N 2.63Å; A708-S711 WeakPolarHBondContact O-CB 3.19Å; A708-S711 PolarHBondContact O-N 3.47Å; L709-S711 VanDerWaalsContact C-N 3.29Å; L709-S711 PolarHBondContact O-N 3.28Å; S711-S715 VanDerWaalsContact O-CB 3.32Å; S711-S715 WeakPolarHBondContact O-CB 3.34Å; S711-S715 PolarHBondContact O-N 3.45Å; S711-S715 PolarHBondContact O-OG 2.74Å
712L81.8Confident76.7Confident114 Ų114126.4 Ų126.460%0.59762%0.624SS**Hα-helixtrans-66.4-46.6175.1-87.3159.7000112.7A708 L709 E710 S715 S716A708-L712 PolarHBondContact O-N 3.47Å; L709-L712 PolarHBondContact O-N 2.81Å; L709-L712 VanDerWaalsContact O-N 3.15Å; E710-L712 VanDerWaalsContact C-N 3.34Å; E710-L712 PolarHBondContact O-N 3.12Å; L712-S715 PolarHBondContact O-OG 3.41Å; L712-S715 VanDerWaalsContact O-OG 3.08Å; L712-S716 VanDerWaalsContact O-CB 3.25Å; L712-S716 WeakPolarHBondContact O-CB 3.38Å; L712-S716 PolarHBondContact O-N 3.23Å
713L83.1Confident75.2Confident111 Ų111132.2 Ų132.258%0.58167%0.669SS**Hα-helixtrans-63.9-43.6177.1-88.475.4000111.4L709 E710 S715 S716 Q717L709-L713 WeakPolarHBondContact O-CD1 3.06Å; L709-L713 PolarHBondContact O-N 2.92Å; E710-L713 PolarHBondContact O-N 3.48Å; L713-S715 PolarHBondContact O-N 3.09Å; L713-S716 PolarHBondContact O-N 3.38Å; L713-Q717 PolarHBondContact O-N 3.3Å
714R79.1Confident74.7Confident202 Ų202134.9 Ų134.976%0.76268%0.678SS**Hα-helixtrans-71-30.2-177.3-162.6171.1-171.1169.91.6113E710E710-R714 WeakPolarHBondContact O-CB 3.19Å; E710-R714 PolarHBondContact O-N 3.03Å
715S74.7Confident73.9Confident66 Ų66136.3 Ų136.346%0.46268%0.684SS.*Hα-helixtrans-77.8-34.2170.155.60000112.7S711 L712 L713 K718S711-S715 VanDerWaalsContact O-CB 3.32Å; S711-S715 WeakPolarHBondContact O-CB 3.34Å; S711-S715 PolarHBondContact O-N 3.45Å; S711-S715 PolarHBondContact O-OG 2.74Å; L712-S715 PolarHBondContact O-OG 3.41Å; L712-S715 VanDerWaalsContact O-OG 3.08Å; L713-S715 PolarHBondContact O-N 3.09Å; S715-K718 PolarHBondContact O-N 2.56Å
716S69.2Low73.1Confident81 Ų81136.1 Ų136.157%0.56669%0.693SS**Hα-helixtrans-68.5-40.5175.5-172.70000113L712 L713 K718 R719L712-S716 VanDerWaalsContact O-CB 3.25Å; L712-S716 WeakPolarHBondContact O-CB 3.38Å; L712-S716 PolarHBondContact O-N 3.23Å; L713-S716 PolarHBondContact O-N 3.38Å; S716-K718 VanDerWaalsContact C-N 3.34Å; S716-K718 PolarHBondContact O-N 3.41Å; S716-R719 PolarHBondContact O-N 3.41Å
717Q63.5Low72.1Confident155 Ų155136.7 Ų136.772%0.72471%0.706SS**Hα-helixtrans-65.5-36.1174.9-77.3-171.9-21.100112.1L713 R719 R720L713-Q717 PolarHBondContact O-N 3.3Å; Q717-R719 PolarHBondContact O-N 2.61Å; Q717-R720 PolarHBondContact O-N 2.67Å; Q717-R720 VanDerWaalsContact O-N 3.09Å
718K61.6Low71Confident190 Ų190133.6 Ų133.683%0.82671%0.706SS**THydrogen-bonded Turntrans-71.39.9179.4-152170.3-177.3178.90114.6S715 S716S715-K718 PolarHBondContact O-N 2.56Å; S716-K718 VanDerWaalsContact C-N 3.34Å; S716-K718 PolarHBondContact O-N 3.41Å
719R58.5Low69.7Low230 Ų230138.9 Ų138.987%0.86872%0.723SS**THydrogen-bonded Turntrans-118.510170.3-72.2-168.1171.1-146.4-1.5114.3S716 Q717S716-R719 PolarHBondContact O-N 3.41Å; Q717-R719 PolarHBondContact O-N 2.61Å
720R56.9Low68.4Low231 Ų231141.4 Ų141.487%0.87274%0.735SS**SBendtrans-14092.9174.2-69.8-171.2177-163.90111.4Q717Q717-R720 PolarHBondContact O-N 2.67Å; Q717-R720 VanDerWaalsContact O-N 3.09Å
721G53.3Low66.9Low79 Ų79141.8 Ų141.881%0.81474%0.744SS**  trans149.178.517100000114.8
722S53Low65.3Low108 Ų108147.1 Ų147.176%0.75576%0.759SS**  trans-179.1142.2146.7-1660000108.6
723P48.8Very low63.8Low198 Ų198150.1 Ų150.1100%1.28677%0.774SS**  cis-550-6.6-23.735.6000113.3

Retrieved 723 of 723 residues in 581.7 ms (Link to these results)

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