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Ena/VASP-like protein

Ena/VASP proteins are actin-associated proteins involved in a range of processes dependent on cytoskeleton remodeling and cell polarity such as axon guidance and lamellipodial and filopodial dynamics in migrating cells. EVL enhances actin nucleation and polymerization.

AlphaFold DB , UniProt , Accession Q9UI08, Species HUMAN (Homo sapiens, Human), Gene EVL, Length 416 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
1M61.5Low92.8Very high247 Ų24777.2 Ų77.2100%1.21738%0.383SS*.  0127.90-69.1168.3177.400107
2S83.9Confident93.2Very high51 Ų5171.9 Ų71.936%0.35736%0.359SS..  trans-102.4-19.9-173.958.20000114.6N41 T42S2-N41 WeakPolarHBondContact O-CA 3.24Å; S2-N41 PolarHBondContact OG-ND2 2.94Å; S2-T42 PolarHBondContact O-N 3.26Å
3E92.2Very high93.5Very high86 Ų8666.8 Ų66.840%0.40233%0.334SS..EExtended strand (participates in β ladder)trans-95.9121179.6-59-164.8125.800111.2Y39 H40 N41 R48E3-Y39 HydrophobicContact CB-CD1 4.24Å; E3-H40 WeakPolarHBondContact CA-O 3.13Å; E3-N41 HydrophobicContact CG-CB 4.28Å; E3-R48 VanDerWaalsContact OE1-CD 3.31Å; E3-R48 WeakPolarHBondContact OE1-CD 3.4Å; E3-R48 IonicContact OE1-CZ 3.43Å; E3-R48 IonicContact OE1-NE 3.12Å; E3-R48 IonicContact OE1-NH1 2.65Å; E3-R48 PolarHBondContact OE1-NH1 3.47Å; E3-R48 IonicContact OE2-NH1 3.92Å; E3-R48 PolarHBondContact OE2-NH1 2.83Å
4Q96.1Very high93.8Very high125 Ų12564.1 Ų64.158%0.58432%0.321SS*.EExtended strand (participates in β ladder)trans-117.5134177-174.217814.400110.1I6 Y39 H40Q4-I6 PolarHBondContact O-N 3.32Å; Q4-Y39 CarbonylContact O-C 3.48Å; Q4-Y39 VanDerWaalsContact O-CA 3.28Å; Q4-Y39 WeakPolarHBondContact O-CA 3.48Å; Q4-H40 PolarHBondContact N-O 2.91Å; Q4-H40 PolarHBondContact O-N 3.18Å
5S97.4Very high94Very high48 Ų4861.3 Ų61.334%0.33631%0.308SS..EExtended strand (participates in β ladder)trans-77.4119.3174.6-160.90000109.6C7 N37 I38S5-C7 PolarHBondContact OG-O 3.2Å; S5-C7 VanDerWaalsContact OG-O 3.06Å; S5-N37 WeakPolarHBondContact OG-CB 3.48Å; S5-I38 CarbonylContact C-O 3.55Å; S5-I38 WeakPolarHBondContact CA-O 3.41Å
6I97.7Very high94.2Very high57 Ų5760.8 Ų60.829%0.29230%0.302SS..EExtended strand (participates in β ladder)trans-92.2-18.4178.764162.4000113.1Q4 I38 H40 F47 A104 F107Q4-I6 PolarHBondContact O-N 3.32Å; I6-I38 HydrophobicContact CD1-CB 4.28Å; I6-I38 HydrophobicContact CD1-CG2 3.83Å; I6-I38 HydrophobicContact CG1-CB 3.87Å; I6-I38 HydrophobicContact CG1-CG2 3.83Å; I6-I38 WeakPolarHBondContact CG1-O 3.4Å; I6-I38 PolarHBondContact N-O 2.85Å; I6-H40 HydrophobicContact CG2-CB 3.83Å; I6-F47 HydrophobicContact CD1-CD1 4.05Å; I6-F47 HydrophobicContact CD1-CE1 4.01Å; I6-A104 HydrophobicContact CD1-CB 4.03Å; I6-A104 HydrophobicContact CG1-CB 4.27Å; I6-F107 HydrophobicContact CD1-CD1 4.04Å; I6-F107 HydrophobicContact CD1-CE1 4.42Å
7C98.4Very high94.2Very high14 Ų1460 Ų6010%0.09530%0.299CS..EExtended strand (participates in β ladder)trans-152.8167169.873.90000111.6S5 N37 I38 T100 A104S5-C7 PolarHBondContact OG-O 3.2Å; S5-C7 VanDerWaalsContact OG-O 3.06Å; C7-N37 WeakPolarHBondContact O-CA 3.5Å; C7-I38 PolarHBondContact O-N 3.3Å; C7-T100 HydrophobicContact CB-CG2 4.48Å; C7-A104 HydrophobicContact CB-CB 3.51Å; C7-A104 VanDerWaalsContact SG-CB 3.56Å
8Q98.4Very high94.2Very high106 Ų10660.7 Ų60.750%0.49530%0.304SS..EExtended strand (participates in β ladder)trans-141.6140.8170.2-179.3164.1122.600109.9R35 I36 N37Q8-R35 HydrophobicContact CG-CG 3.9Å; Q8-I36 CarbonylContact C-O 3.55Å; Q8-I36 WeakPolarHBondContact CA-O 3.32Å; Q8-N37 WeakPolarHBondContact CB-OD1 3.44Å; Q8-N37 VanDerWaalsContact CG-OD1 3.28Å; Q8-N37 WeakPolarHBondContact CG-OD1 3.43Å; Q8-N37 PolarHBondContact NE2-OD1 3.04Å; Q8-N37 VanDerWaalsContact NE2-OD1 3.08Å
9A98.7Very high94.3Very high1 Ų164.4 Ų64.41%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-152.4159.1175.500000110.1I36 F92 E97 F101A9-I36 PolarHBondContact N-O 3.49Å; A9-I36 PolarHBondContact O-N 3.45Å; A9-F92 HydrophobicContact CB-CD1 4.07Å; A9-F92 HydrophobicContact CB-CE1 3.97Å; A9-E97 HydrophobicContact CB-CB 4.03Å; A9-F101 HydrophobicContact CB-CB 4.05Å
10R98.5Very high94.4Very high114 Ų11463.6 Ų63.643%0.4333%0.331SS..EExtended strand (participates in β ladder)trans-101.5131.4168.5-58.9168.5-58.9154.810.4110.3S34 F92 A93 E97R10-S34 WeakPolarHBondContact CA-O 3.49Å; R10-F92 WeakPolarHBondContact O-CA 3.42Å; R10-A93 HydrophobicContact CB-CB 3.98Å; R10-A93 PolarHBondContact O-N 2.97Å; R10-E97 WeakPolarHBondContact CB-OE1 3.27Å; R10-E97 VanDerWaalsContact CG-OE1 3.27Å; R10-E97 WeakPolarHBondContact CG-OE1 3.41Å; R10-E97 IonicContact CZ-OE1 3.9Å; R10-E97 IonicContact CZ-OE2 2.9Å; R10-E97 PolarHBondContact N-OE1 3.29Å; R10-E97 IonicContact NE-OE1 2.66Å; R10-E97 PolarHBondContact NE-OE1 3.38Å; R10-E97 IonicContact NE-OE2 3.78Å; R10-E97 PolarHBondContact NE-OE2 3.07Å; R10-E97 IonicContact NH2-OE1 3.67Å; R10-E97 IonicContact NH2-OE2 3.79Å; R10-E97 PolarHBondContact NH2-OE2 2.65Å
11A98.5Very high94.5Very high0 Ų066.6 Ų66.60%034%0.341CS..EExtended strand (participates in β ladder)trans-150.8154.317400000112S34 I36 L90 N91 F92A11-S34 PolarHBondContact N-O 3.37Å; A11-S34 PolarHBondContact O-N 2.97Å; A11-I36 HydrophobicContact CB-CG1 3.88Å; A11-L90 HydrophobicContact CB-CB 3.92Å; A11-L90 HydrophobicContact CB-CD2 4.19Å; A11-L90 HydrophobicContact CB-CG 4.47Å; A11-N91 CarbonylContact C-O 3.57Å; A11-N91 WeakPolarHBondContact CA-O 3.42Å; A11-N91 WeakPolarHBondContact CB-O 3.22Å; A11-F92 HydrophobicContact CB-CD1 3.81Å; A11-F92 HydrophobicContact CB-CE1 4.12Å; A11-F92 HydrophobicContact CB-CG 4.2Å
12S97.4Very high96.1Very high14 Ų1460.1 Ų60.110%0.09831%0.306CS..EExtended strand (participates in β ladder)trans-83127.6163.1-1710000108.9G32 N91S12-G32 PolarHBondContact OG-O 2.96Å; S12-N91 PolarHBondContact N-O 2.95Å; S12-N91 PolarHBondContact O-N 2.92Å
13V97.3Very high96.8Very high5 Ų561.2 Ų61.23%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-89.7121.2-177.7-171.30000110.1I26 I36 V60 I61 L90V13-I26 HydrophobicContact CB-CB 4.47Å; V13-I26 HydrophobicContact CB-CG2 3.81Å; V13-I26 HydrophobicContact CG1-CB 4.08Å; V13-I26 HydrophobicContact CG1-CD1 3.89Å; V13-I26 HydrophobicContact CG1-CG2 3.82Å; V13-I26 PolarHBondContact O-N 3.2Å; V13-I36 HydrophobicContact CG2-CD1 3.58Å; V13-V60 HydrophobicContact CB-CG2 4.31Å; V13-V60 HydrophobicContact CG2-CG2 3.77Å; V13-I61 HydrophobicContact CG1-CB 4.13Å; V13-I61 HydrophobicContact CG1-CD1 4.21Å; V13-I61 HydrophobicContact CG1-CG2 4.06Å; V13-I61 HydrophobicContact CG2-CG2 4.09Å; V13-L90 HydrophobicContact CB-CD2 4.26Å; V13-L90 HydrophobicContact CG1-CD2 4.2Å; V13-L90 HydrophobicContact CG2-CD2 3.8Å
14M97Very high96.9Very high30 Ų3059 Ų5915%0.14829%0.294CS..EExtended strand (participates in β ladder)trans-120.5153.6-175.8-53.4-65.7-72.900110.2W23 V24 P25 G89M14-W23 HydrophobicContact CB-CE3 3.73Å; M14-W23 HydrophobicContact CB-CZ3 4.37Å; M14-W23 HydrophobicContact CE-CB 3.9Å; M14-V24 CarbonylContact C-O 3.46Å; M14-V24 VanDerWaalsContact CA-O 3.32Å; M14-V24 WeakPolarHBondContact CA-O 3.33Å; M14-V24 VanDerWaalsContact CE-C 3.49Å; M14-P25 HydrophobicContact CE-CG 4.29Å; M14-P25 HydrophobicContact SD-CB 4.35Å; M14-P25 HydrophobicContact SD-CG 4.21Å; M14-G89 PolarHBondContact N-O 3.14Å; M14-G89 PolarHBondContact O-N 2.94Å
15V96.6Very high96.9Very high21 Ų2154.8 Ų54.813%0.12728%0.278CS..EExtended strand (participates in β ladder)trans-124.2144.4167.7-66.30000109W23 V24 I26 Q86 V87 Y88V15-W23 VanDerWaalsContact C-CE3 3.44Å; V15-V24 HydrophobicContact CG2-CG2 3.61Å; V15-V24 PolarHBondContact N-O 3.32Å; V15-V24 PolarHBondContact O-N 3.1Å; V15-I26 HydrophobicContact CG1-CB 4.16Å; V15-I26 HydrophobicContact CG1-CD1 3.88Å; V15-I26 HydrophobicContact CG1-CG1 3.84Å; V15-Q86 HydrophobicContact CG1-CG 4.28Å; V15-V87 WeakPolarHBondContact CA-O 3.49Å; V15-Y88 HydrophobicContact CG1-CD1 3.88Å; V15-Y88 HydrophobicContact CG1-CE1 4.08Å
16Y97.4Very high96.7Very high54 Ų5454.7 Ų54.721%0.21227%0.274CS..EExtended strand (participates in β ladder)trans-81.9120173.2-168-105.4000109D18 K21 W23 Q86 V87Y16-D18 WeakPolarHBondContact CE1-OD1 3.48Å; Y16-K21 HydrophobicContact CE1-CD 4.32Å; Y16-K21 WeakPolarHBondContact OH-CA 3.14Å; Y16-K21 PolarHBondContact OH-O 2.69Å; Y16-K21 VanDerWaalsContact OH-O 3.09Å; Y16-W23 HydrophobicContact CD2-CD2 4.03Å; Y16-W23 AromaticContact CD2-CE2 3.82Å; Y16-W23 HydrophobicContact CD2-CG 4.27Å; Y16-W23 HydrophobicContact CD2-CZ2 4.22Å; Y16-W23 AromaticContact CD2-NE1 3.93Å; Y16-Q86 PolarHBondContact O-NE2 3.01Å; Y16-V87 PolarHBondContact N-O 3.47Å
17D95.1Very high96.1Very high47 Ų4754.9 Ų54.925%0.25127%0.272SS..EExtended strand (participates in β ladder)trans-88.2109.4170.2169.427.2000109T19 S20 K21 K22 V24D17-T19 PolarHBondContact O-N 3.35Å; D17-T19 WeakPolarHBondContact OD1-CA 3.47Å; D17-T19 WeakPolarHBondContact OD1-CB 3.46Å; D17-T19 PolarHBondContact OD1-N 3.04Å; D17-T19 PolarHBondContact OD1-OG1 3.47Å; D17-S20 VanDerWaalsContact OD2-CB 3.25Å; D17-S20 WeakPolarHBondContact OD2-CB 3.42Å; D17-S20 PolarHBondContact OD2-N 3.49Å; D17-S20 PolarHBondContact OD2-OG 3.21Å; D17-K21 VanDerWaalsContact O-CA 3.31Å; D17-K21 WeakPolarHBondContact O-CA 3.47Å; D17-K21 PolarHBondContact O-N 2.97Å; D17-K22 PolarHBondContact N-O 3.04Å; D17-K22 PolarHBondContact O-N 3.47Å; D17-V24 HydrophobicContact CB-CG1 4.4Å; D17-V24 HydrophobicContact CB-CG2 4.25Å
18D94.2Very high95.4Very high73 Ų7360.2 Ų60.239%0.3931%0.306SS..THydrogen-bonded Turntrans-66.3-17.2177.7-94.7-54.2000113.6Y16 K21Y16-D18 WeakPolarHBondContact CE1-OD1 3.48Å; D18-K21 WeakPolarHBondContact O-CD 3.44Å; D18-K21 WeakPolarHBondContact O-CE 3.25Å; D18-K21 PolarHBondContact O-NZ 3.14Å; D18-K21 IonicContact OD1-NZ 3.48Å; D18-K21 PolarHBondContact OD1-NZ 3.22Å
19T96Very high94.5Very high131 Ų13159 Ų5980%0.80432%0.323SS*.THydrogen-bonded Turntrans-77.2-54.1178-400000110.7D17D17-T19 PolarHBondContact O-N 3.35Å; D17-T19 WeakPolarHBondContact OD1-CA 3.47Å; D17-T19 WeakPolarHBondContact OD1-CB 3.46Å; D17-T19 PolarHBondContact OD1-N 3.04Å; D17-T19 PolarHBondContact OD1-OG1 3.47Å
20S95.4Very high93.3Very high48 Ų4863.5 Ų63.534%0.33634%0.343SS..THydrogen-bonded Turntrans-94.69179.768.70000114.6D17 K22D17-S20 VanDerWaalsContact OD2-CB 3.25Å; D17-S20 WeakPolarHBondContact OD2-CB 3.42Å; D17-S20 PolarHBondContact OD2-N 3.49Å; D17-S20 PolarHBondContact OD2-OG 3.21Å; S20-K22 PolarHBondContact O-N 2.95Å; S20-K22 VanDerWaalsContact O-N 3.11Å; S20-K22 VanDerWaalsContact OG-CD 3.25Å; S20-K22 WeakPolarHBondContact OG-CD 3.37Å; S20-K22 WeakPolarHBondContact OG-CE 3.43Å; S20-K22 WeakPolarHBondContact OG-CG 3.46Å; S20-K22 PolarHBondContact OG-NZ 2.91Å
21K96.4Very high92.5Very high127 Ų12765.8 Ų65.855%0.55236%0.359SS*.THydrogen-bonded Turntrans51.730.4175.4-63.4-56.7-175.1-150.40115Y16 D17 D18Y16-K21 HydrophobicContact CE1-CD 4.32Å; Y16-K21 WeakPolarHBondContact OH-CA 3.14Å; Y16-K21 PolarHBondContact OH-O 2.69Å; Y16-K21 VanDerWaalsContact OH-O 3.09Å; D17-K21 VanDerWaalsContact O-CA 3.31Å; D17-K21 WeakPolarHBondContact O-CA 3.47Å; D17-K21 PolarHBondContact O-N 2.97Å; D18-K21 WeakPolarHBondContact O-CD 3.44Å; D18-K21 WeakPolarHBondContact O-CE 3.25Å; D18-K21 PolarHBondContact O-NZ 3.14Å; D18-K21 IonicContact OD1-NZ 3.48Å; D18-K21 PolarHBondContact OD1-NZ 3.22Å
22K96.3Very high92.2Very high110 Ų11066.9 Ų66.948%0.47837%0.37SS..EExtended strand (participates in β ladder)trans-131.7157.4-174.679.5-159.9-176.6-1400112.1D17 S20 V24D17-K22 PolarHBondContact N-O 3.04Å; D17-K22 PolarHBondContact O-N 3.47Å; S20-K22 PolarHBondContact O-N 2.95Å; S20-K22 VanDerWaalsContact O-N 3.11Å; S20-K22 VanDerWaalsContact OG-CD 3.25Å; S20-K22 WeakPolarHBondContact OG-CD 3.37Å; S20-K22 WeakPolarHBondContact OG-CE 3.43Å; S20-K22 WeakPolarHBondContact OG-CG 3.46Å; S20-K22 PolarHBondContact OG-NZ 2.91Å; K22-V24 HydrophobicContact CD-CG1 4.21Å; K22-V24 VanDerWaalsContact CE-CG1 3.42Å; K22-V24 HydrophobicContact CG-CG1 3.74Å
23W97Very high92.2Very high75 Ų7570.7 Ų70.728%0.28439%0.385SS..EExtended strand (participates in β ladder)trans-74.9125.5165.9-70.4101.3000109.9M14 V15 Y16 F78 Q80 V87M14-W23 HydrophobicContact CB-CE3 3.73Å; M14-W23 HydrophobicContact CB-CZ3 4.37Å; M14-W23 HydrophobicContact CE-CB 3.9Å; V15-W23 VanDerWaalsContact C-CE3 3.44Å; Y16-W23 HydrophobicContact CD2-CD2 4.03Å; Y16-W23 AromaticContact CD2-CE2 3.82Å; Y16-W23 HydrophobicContact CD2-CG 4.27Å; Y16-W23 HydrophobicContact CD2-CZ2 4.22Å; Y16-W23 AromaticContact CD2-NE1 3.93Å; W23-F78 HydrophobicContact CD2-CE1 4.4Å; W23-F78 AromaticContact CD2-CZ 3.72Å; W23-F78 HydrophobicContact CD2-CZ 3.72Å; W23-F78 AromaticContact CE2-CE1 3.75Å; W23-F78 AromaticContact CE2-CZ 3.52Å; W23-F78 HydrophobicContact CE3-CZ 4.02Å; W23-F78 HydrophobicContact CG-CZ 4.29Å; W23-F78 HydrophobicContact CH2-CE1 4.31Å; W23-F78 AromaticContact CH2-CZ 3.94Å; W23-F78 HydrophobicContact CH2-CZ 3.94Å; W23-F78 AromaticContact CZ2-CE1 3.73Å; W23-F78 HydrophobicContact CZ2-CE1 3.73Å; W23-F78 AromaticContact CZ2-CZ 3.67Å; W23-F78 HydrophobicContact CZ2-CZ 3.67Å; W23-F78 HydrophobicContact CZ3-CZ 4.12Å; W23-F78 AromaticContact NE1-CE1 3.95Å; W23-F78 AromaticContact NE1-CZ 3.96Å; W23-Q80 HydrophobicContact CH2-CB 4.17Å; W23-Q80 HydrophobicContact CZ2-CB 4.5Å; W23-Q80 VanDerWaalsContact CZ2-OE1 3.24Å; W23-V87 HydrophobicContact CH2-CB 4.16Å; W23-V87 HydrophobicContact CH2-CG1 3.74Å; W23-V87 HydrophobicContact CZ2-CG1 4.44Å
24V96.2Very high92.2Very high38 Ų3870.6 Ų70.623%0.2339%0.385CS..EExtended strand (participates in β ladder)trans-117.5148.3172.9-60.90000109.9M14 V15 D17 K22M14-V24 CarbonylContact C-O 3.46Å; M14-V24 VanDerWaalsContact CA-O 3.32Å; M14-V24 WeakPolarHBondContact CA-O 3.33Å; M14-V24 VanDerWaalsContact CE-C 3.49Å; V15-V24 HydrophobicContact CG2-CG2 3.61Å; V15-V24 PolarHBondContact N-O 3.32Å; V15-V24 PolarHBondContact O-N 3.1Å; D17-V24 HydrophobicContact CB-CG1 4.4Å; D17-V24 HydrophobicContact CB-CG2 4.25Å; K22-V24 HydrophobicContact CD-CG1 4.21Å; K22-V24 VanDerWaalsContact CE-CG1 3.42Å; K22-V24 HydrophobicContact CG-CG1 3.74Å
25P95.3Very high92.2Very high38 Ų3874.1 Ų74.125%0.24740%0.397CS..EExtended strand (participates in β ladder)trans-57.1141.7170.9-23.434.5000110.5M14 K27M14-P25 HydrophobicContact CE-CG 4.29Å; M14-P25 HydrophobicContact SD-CB 4.35Å; M14-P25 HydrophobicContact SD-CG 4.21Å; P25-K27 PolarHBondContact O-N 3.2Å
26I92.8Very high92.3Very high46 Ų4673.1 Ų73.124%0.23639%0.391CS..SBendtrans-60-18.8-177.6-167.4158.3000113.7V13 V15 V60 I61 Y88V13-I26 HydrophobicContact CB-CB 4.47Å; V13-I26 HydrophobicContact CB-CG2 3.81Å; V13-I26 HydrophobicContact CG1-CB 4.08Å; V13-I26 HydrophobicContact CG1-CD1 3.89Å; V13-I26 HydrophobicContact CG1-CG2 3.82Å; V13-I26 PolarHBondContact O-N 3.2Å; V15-I26 HydrophobicContact CG1-CB 4.16Å; V15-I26 HydrophobicContact CG1-CD1 3.88Å; V15-I26 HydrophobicContact CG1-CG1 3.84Å; I26-V60 WeakPolarHBondContact CD1-O 3.39Å; I26-V60 HydrophobicContact CG2-CB 3.92Å; I26-I61 HydrophobicContact CD1-CB 4.22Å; I26-I61 HydrophobicContact CD1-CD1 4.48Å; I26-I61 HydrophobicContact CD1-CG1 4.46Å; I26-Y88 HydrophobicContact CD1-CD1 4.3Å; I26-Y88 HydrophobicContact CD1-CE1 4.15Å
27K85.3Confident92.4Very high61 Ų6171.1 Ų71.127%0.26538%0.384SS..SBendtrans-127.7123.1167.6-65.7-176.9-171.4178.10109.8P25 Q30 V59 V60P25-K27 PolarHBondContact O-N 3.2Å; K27-Q30 HydrophobicContact CB-CB 4.14Å; K27-Q30 PolarHBondContact O-N 3.29Å; K27-V59 PolarHBondContact NZ-O 2.66Å; K27-V60 HydrophobicContact CD-CG1 4.33Å
28P84.1Confident92.6Very high125 Ų12568.9 Ų68.981%0.81237%0.372SS*.THydrogen-bonded Turntrans-62.3143.5-179.126.1-34000111.1Q30P28-Q30 PolarHBondContact O-N 3.01Å; P28-Q30 VanDerWaalsContact O-N 3.17Å
29G79.5Confident92.8Very high81 Ų8168.4 Ų68.484%0.83537%0.365SS*.THydrogen-bonded Turntrans71.4-2.8-177.100000115.7
30Q72.2Confident92.9Very high95 Ų9563.5 Ų63.544%0.44433%0.333SS..  trans-118.667.6-175.7-65.1-62.2-36.900111.4K27 P28K27-Q30 HydrophobicContact CB-CB 4.14Å; K27-Q30 PolarHBondContact O-N 3.29Å; P28-Q30 PolarHBondContact O-N 3.01Å; P28-Q30 VanDerWaalsContact O-N 3.17Å
31Q83.2Confident92.9Very high163 Ų16362.6 Ų62.676%0.76232%0.324SS*.  trans-80.5139.4171.8-173.5173.6-6.200110.6
32G91.7Very high92.8Very high23 Ų2360.5 Ų60.524%0.23732%0.322CS..SBendtrans160.4171.9176.600000112.7S12S12-G32 PolarHBondContact OG-O 2.96Å
33F96.2Very high92.6Very high93 Ų9359.4 Ų59.441%0.40833%0.333SS..  trans-78.7141.2174.9-70.8-69.7000111.7L54 A93F33-L54 HydrophobicContact CB-CD1 3.85Å; F33-L54 WeakPolarHBondContact O-CG 3.4Å; F33-L54 PolarHBondContact O-N 2.91Å; F33-L54 VanDerWaalsContact O-N 3.16Å; F33-A93 HydrophobicContact CD1-CB 3.94Å; F33-A93 HydrophobicContact CE1-CB 3.56Å; F33-A93 HydrophobicContact CZ-CB 3.88Å
34S97.6Very high92.4Very high4 Ų458.7 Ų58.73%0.02834%0.34CS..EExtended strand (participates in β ladder)trans-118.3143.9171.6-580000109.2R10 A11 I36 V52 K53 V60R10-S34 WeakPolarHBondContact CA-O 3.49Å; A11-S34 PolarHBondContact N-O 3.37Å; A11-S34 PolarHBondContact O-N 2.97Å; S34-I36 PolarHBondContact O-N 3.18Å; S34-V52 CarbonylContact C-O 3.54Å; S34-V52 VanDerWaalsContact CA-O 3.26Å; S34-V52 WeakPolarHBondContact CA-O 3.47Å; S34-V52 WeakPolarHBondContact CB-O 3.27Å; S34-K53 WeakPolarHBondContact OG-CA 3.48Å; S34-V60 WeakPolarHBondContact OG-CG2 3.39Å
35R98.3Very high92.2Very high104 Ų10459.5 Ų59.539%0.39234%0.343SS..EExtended strand (participates in β ladder)trans-75.6112.6167.3-176.516964.6-178.8-2.4107.8Q8 G51 V52 L54Q8-R35 HydrophobicContact CG-CG 3.9Å; R35-G51 WeakPolarHBondContact O-CA 3.42Å; R35-V52 PolarHBondContact N-O 2.95Å; R35-V52 PolarHBondContact O-N 3.41Å; R35-L54 HydrophobicContact CB-CD2 3.95Å
36I98.7Very high92.3Very high0 Ų060.8 Ų60.80%035%0.35CS..EExtended strand (participates in β ladder)trans-100.7121.8178.6-41.9-55.9000108.5Q8 A9 A11 V13 S34 V49 V50 L90 F101Q8-I36 CarbonylContact C-O 3.55Å; Q8-I36 WeakPolarHBondContact CA-O 3.32Å; A9-I36 PolarHBondContact N-O 3.49Å; A9-I36 PolarHBondContact O-N 3.45Å; A11-I36 HydrophobicContact CB-CG1 3.88Å; V13-I36 HydrophobicContact CG2-CD1 3.58Å; S34-I36 PolarHBondContact O-N 3.18Å; I36-V49 HydrophobicContact CG2-CG1 3.61Å; I36-V50 WeakPolarHBondContact CA-O 3.2Å; I36-L90 HydrophobicContact CD1-CD2 4.24Å; I36-L90 HydrophobicContact CG1-CD1 4.43Å; I36-L90 HydrophobicContact CG1-CD2 4.3Å; I36-L90 HydrophobicContact CG2-CD1 4.11Å; I36-F101 HydrophobicContact CB-CE2 4.44Å; I36-F101 HydrophobicContact CG2-CD2 4.13Å; I36-F101 HydrophobicContact CG2-CE2 3.52Å; I36-F101 HydrophobicContact CG2-CZ 4.31Å
37N98.6Very high92.5Very high12 Ų1258.7 Ų58.76%0.06434%0.339CS..EExtended strand (participates in β ladder)trans-112.7149.9170.5-70.2-8000109.1S5 C7 Q8 Y39 V50S5-N37 WeakPolarHBondContact OG-CB 3.48Å; C7-N37 WeakPolarHBondContact O-CA 3.5Å; Q8-N37 WeakPolarHBondContact CB-OD1 3.44Å; Q8-N37 VanDerWaalsContact CG-OD1 3.28Å; Q8-N37 WeakPolarHBondContact CG-OD1 3.43Å; Q8-N37 PolarHBondContact NE2-OD1 3.04Å; Q8-N37 VanDerWaalsContact NE2-OD1 3.08Å; N37-Y39 HydrophobicContact CB-CD2 3.92Å; N37-Y39 HydrophobicContact CB-CE2 3.46Å; N37-Y39 VanDerWaalsContact CB-CE2 3.46Å; N37-Y39 PolarHBondContact ND2-OH 3Å; N37-V50 PolarHBondContact N-O 3.27Å; N37-V50 PolarHBondContact O-N 3.43Å
38I98.6Very high93.1Very high0 Ų058.8 Ų58.80%034%0.338CS..EExtended strand (participates in β ladder)trans-102.5123.3157.2-59177.9000106.5S5 I6 C7 F47 R48 V49 I65 F101 A104 M105S5-I38 CarbonylContact C-O 3.55Å; S5-I38 WeakPolarHBondContact CA-O 3.41Å; I6-I38 HydrophobicContact CD1-CB 4.28Å; I6-I38 HydrophobicContact CD1-CG2 3.83Å; I6-I38 HydrophobicContact CG1-CB 3.87Å; I6-I38 HydrophobicContact CG1-CG2 3.83Å; I6-I38 WeakPolarHBondContact CG1-O 3.4Å; I6-I38 PolarHBondContact N-O 2.85Å; C7-I38 PolarHBondContact O-N 3.3Å; I38-F47 HydrophobicContact CG2-CD1 4.44Å; I38-R48 WeakPolarHBondContact CA-O 3.27Å; I38-V49 HydrophobicContact CG1-CG2 4.38Å; I38-I65 HydrophobicContact CG2-CD1 4.01Å; I38-F101 HydrophobicContact CD1-CD2 4.14Å; I38-F101 HydrophobicContact CD1-CE1 4.42Å; I38-F101 HydrophobicContact CD1-CE2 3.74Å; I38-F101 HydrophobicContact CD1-CZ 3.91Å; I38-F101 HydrophobicContact CG1-CD2 4.15Å; I38-F101 HydrophobicContact CG1-CE2 3.57Å; I38-F101 HydrophobicContact CG1-CZ 4.09Å; I38-A104 HydrophobicContact CD1-CB 4.15Å; I38-M105 HydrophobicContact CD1-CB 3.91Å
39Y98.5Very high93.8Very high63 Ų6352.9 Ų52.925%0.24730%0.299CS..EExtended strand (participates in β ladder)trans-101.2136.3173.6-71-89.3000110.2E3 Q4 N37 F47 R48 V50E3-Y39 HydrophobicContact CB-CD1 4.24Å; Q4-Y39 CarbonylContact O-C 3.48Å; Q4-Y39 VanDerWaalsContact O-CA 3.28Å; Q4-Y39 WeakPolarHBondContact O-CA 3.48Å; N37-Y39 HydrophobicContact CB-CD2 3.92Å; N37-Y39 HydrophobicContact CB-CE2 3.46Å; N37-Y39 VanDerWaalsContact CB-CE2 3.46Å; N37-Y39 PolarHBondContact ND2-OH 3Å; Y39-F47 CarbonylContact O-C 3.58Å; Y39-F47 VanDerWaalsContact O-CA 3.28Å; Y39-F47 WeakPolarHBondContact O-CA 3.37Å; Y39-R48 PolarHBondContact N-O 2.92Å; Y39-R48 PolarHBondContact O-N 3.48Å; Y39-V50 HydrophobicContact CD2-CB 3.98Å; Y39-V50 HydrophobicContact CD2-CG2 3.75Å; Y39-V50 HydrophobicContact CE2-CB 3.95Å; Y39-V50 HydrophobicContact CE2-CG2 4.13Å
40H97.9Very high94.7Very high28 Ų2849.6 Ų49.613%0.1326%0.263CS..EExtended strand (participates in β ladder)trans-101.9127.3166-179-154.7000108.3E3 Q4 I6 N45 F47E3-H40 WeakPolarHBondContact CA-O 3.13Å; Q4-H40 PolarHBondContact N-O 2.91Å; Q4-H40 PolarHBondContact O-N 3.18Å; I6-H40 HydrophobicContact CG2-CB 3.83Å; H40-N45 PolarHBondContact NE2-OD1 3.4Å; H40-F47 HydrophobicContact CB-CD1 3.75Å; H40-F47 HydrophobicContact CB-CE1 3.53Å; H40-F47 HydrophobicContact CB-CZ 4.31Å; H40-F47 AromaticContact CD2-CD1 3.9Å; H40-F47 AromaticContact CD2-CE1 3.42Å; H40-F47 VanDerWaalsContact CD2-CE1 3.42Å; H40-F47 WeakPolarHBondContact CD2-CE1 3.49Å; H40-F47 AromaticContact CD2-CE2 3.68Å; H40-F47 AromaticContact CD2-CZ 3.28Å; H40-F47 WeakPolarHBondContact CD2-CZ 3.25Å; H40-F47 AromaticContact CE1-CZ 3.96Å; H40-F47 AromaticContact CG-CE1 3.42Å; H40-F47 VanDerWaalsContact CG-CE1 3.42Å; H40-F47 AromaticContact CG-CZ 3.7Å; H40-F47 AromaticContact NE2-CE2 3.87Å; H40-F47 AromaticContact NE2-CZ 3.48Å; H40-F47 WeakPolarHBondContact NE2-CZ 3.37Å
41N96.7Very high95.9Very high29 Ų2945.1 Ų45.116%0.15524%0.242CC..EExtended strand (participates in β ladder)trans-95.9107.6165.9-175.2-34.7000108.1S2 E3 A43 S44 N45 T46S2-N41 WeakPolarHBondContact O-CA 3.24Å; S2-N41 PolarHBondContact OG-ND2 2.94Å; E3-N41 HydrophobicContact CG-CB 4.28Å; N41-A43 VanDerWaalsContact C-N 3.3Å; N41-A43 PolarHBondContact O-N 3.45Å; N41-A43 WeakPolarHBondContact OD1-CB 3.45Å; N41-A43 PolarHBondContact OD1-N 3.06Å; N41-S44 WeakPolarHBondContact CB-OG 3.45Å; N41-S44 PolarHBondContact OD1-N 2.93Å; N41-S44 PolarHBondContact OD1-OG 3.45Å; N41-N45 WeakPolarHBondContact O-CA 3.4Å; N41-N45 PolarHBondContact O-N 3.32Å; N41-T46 PolarHBondContact N-O 2.99Å; N41-T46 PolarHBondContact O-N 3.47Å
42T93.4Very high96.6Very high82 Ų8238.9 Ų38.950%0.50322%0.216SC..THydrogen-bonded Turntrans-69.6-27-176.152.30000113.1S2S2-T42 PolarHBondContact O-N 3.26Å
43A92.8Very high96.7Very high87 Ų8738.4 Ų38.472%0.71921%0.207SC*.THydrogen-bonded Turntrans-76.3-32.5-178.400000113.1N41N41-A43 VanDerWaalsContact C-N 3.3Å; N41-A43 PolarHBondContact O-N 3.45Å; N41-A43 WeakPolarHBondContact OD1-CB 3.45Å; N41-A43 PolarHBondContact OD1-N 3.06Å
44S92.4Very high96.6Very high60 Ų6038.3 Ų38.342%0.4221%0.21SC..THydrogen-bonded Turntrans-103.3-2.6173.854.60000113.9N41 T46N41-S44 WeakPolarHBondContact CB-OG 3.45Å; N41-S44 PolarHBondContact OD1-N 2.93Å; N41-S44 PolarHBondContact OD1-OG 3.45Å; S44-T46 VanDerWaalsContact C-N 3.25Å; S44-T46 PolarHBondContact O-N 2.94Å; S44-T46 PolarHBondContact OG-OG1 3.47Å
45N92.8Very high96.2Very high56 Ų5645.6 Ų45.630%0.29924%0.244SC..THydrogen-bonded Turntrans4643.4-169.3-162.133.9000114.2H40 N41H40-N45 PolarHBondContact NE2-OD1 3.4Å; N41-N45 WeakPolarHBondContact O-CA 3.4Å; N41-N45 PolarHBondContact O-N 3.32Å
46T96.1Very high95.9Very high65 Ų6544.1 Ų44.140%0.39924%0.244SC..EExtended strand (participates in β ladder)trans-111.7152.3-179.352.80000111.8N41 S44N41-T46 PolarHBondContact N-O 2.99Å; N41-T46 PolarHBondContact O-N 3.47Å; S44-T46 VanDerWaalsContact C-N 3.25Å; S44-T46 PolarHBondContact O-N 2.94Å; S44-T46 PolarHBondContact OG-OG1 3.47Å
47F98.2Very high95.6Very high2 Ų251.4 Ų51.41%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-118.7145.9176.9-61.6-97.5000111.4I6 I38 Y39 H40 I65 F107 A108 I111 M112I6-F47 HydrophobicContact CD1-CD1 4.05Å; I6-F47 HydrophobicContact CD1-CE1 4.01Å; I38-F47 HydrophobicContact CG2-CD1 4.44Å; Y39-F47 CarbonylContact O-C 3.58Å; Y39-F47 VanDerWaalsContact O-CA 3.28Å; Y39-F47 WeakPolarHBondContact O-CA 3.37Å; H40-F47 HydrophobicContact CB-CD1 3.75Å; H40-F47 HydrophobicContact CB-CE1 3.53Å; H40-F47 HydrophobicContact CB-CZ 4.31Å; H40-F47 AromaticContact CD2-CD1 3.9Å; H40-F47 AromaticContact CD2-CE1 3.42Å; H40-F47 VanDerWaalsContact CD2-CE1 3.42Å; H40-F47 WeakPolarHBondContact CD2-CE1 3.49Å; H40-F47 AromaticContact CD2-CE2 3.68Å; H40-F47 AromaticContact CD2-CZ 3.28Å; H40-F47 WeakPolarHBondContact CD2-CZ 3.25Å; H40-F47 AromaticContact CE1-CZ 3.96Å; H40-F47 AromaticContact CG-CE1 3.42Å; H40-F47 VanDerWaalsContact CG-CE1 3.42Å; H40-F47 AromaticContact CG-CZ 3.7Å; H40-F47 AromaticContact NE2-CE2 3.87Å; H40-F47 AromaticContact NE2-CZ 3.48Å; H40-F47 WeakPolarHBondContact NE2-CZ 3.37Å; F47-I65 HydrophobicContact CB-CB 4.13Å; F47-I65 HydrophobicContact CB-CD1 3.96Å; F47-I65 HydrophobicContact CB-CG1 4.47Å; F47-I65 PolarHBondContact O-N 3.49Å; F47-F107 HydrophobicContact CE1-CE1 4.42Å; F47-A108 HydrophobicContact CB-CB 3.98Å; F47-A108 HydrophobicContact CD1-CB 3.58Å; F47-A108 HydrophobicContact CD2-CB 4.09Å; F47-A108 HydrophobicContact CE1-CB 4.02Å; F47-A108 HydrophobicContact CG-CB 3.61Å; F47-A108 HydrophobicContact CZ-CB 4.48Å; F47-I111 HydrophobicContact CE2-CB 4.01Å; F47-I111 HydrophobicContact CE2-CD1 4.31Å; F47-I111 HydrophobicContact CE2-CG2 3.8Å; F47-I111 HydrophobicContact CZ-CB 4.29Å; F47-I111 HydrophobicContact CZ-CD1 3.72Å; F47-I111 HydrophobicContact CZ-CG2 4.25Å; F47-M112 HydrophobicContact CD2-CG 3.98Å; F47-M112 HydrophobicContact CD2-SD 3.85Å; F47-M112 HydrophobicContact CE2-SD 4.42Å
48R97.9Very high95.4Very high63 Ų6354.8 Ų54.824%0.23829%0.293CS..EExtended strand (participates in β ladder)trans-142.4137.2177.859.6-170.7-78.6-141.2-6.2112.5E3 I38 Y39 V50 N62 Y63E3-R48 VanDerWaalsContact OE1-CD 3.31Å; E3-R48 WeakPolarHBondContact OE1-CD 3.4Å; E3-R48 IonicContact OE1-CZ 3.43Å; E3-R48 IonicContact OE1-NE 3.12Å; E3-R48 IonicContact OE1-NH1 2.65Å; E3-R48 PolarHBondContact OE1-NH1 3.47Å; E3-R48 IonicContact OE2-NH1 3.92Å; E3-R48 PolarHBondContact OE2-NH1 2.83Å; I38-R48 WeakPolarHBondContact CA-O 3.27Å; Y39-R48 PolarHBondContact N-O 2.92Å; Y39-R48 PolarHBondContact O-N 3.48Å; R48-V50 HydrophobicContact CG-CG2 4.07Å; R48-N62 VanDerWaalsContact CZ-OD1 3.29Å; R48-N62 PolarHBondContact NE-OD1 2.92Å; R48-N62 VanDerWaalsContact NH2-CG 3.34Å; R48-N62 PolarHBondContact NH2-ND2 3.17Å; R48-N62 PolarHBondContact NH2-OD1 3.17Å; R48-Y63 CarbonylContact C-O 3.55Å; R48-Y63 VanDerWaalsContact CA-O 3.22Å; R48-Y63 WeakPolarHBondContact CA-O 3.16Å
49V98.6Very high95.2Very high0 Ų058.4 Ų58.40%032%0.315CS..EExtended strand (participates in β ladder)trans-85.1122.1168.5-173.50000108.4I36 I38 N62 Y63 I65 W81 F101 M105I36-V49 HydrophobicContact CG2-CG1 3.61Å; I38-V49 HydrophobicContact CG1-CG2 4.38Å; V49-N62 WeakPolarHBondContact O-CA 3.43Å; V49-Y63 PolarHBondContact N-O 2.93Å; V49-Y63 PolarHBondContact O-N 3.4Å; V49-I65 HydrophobicContact CG2-CD1 3.88Å; V49-I65 HydrophobicContact CG2-CG1 3.96Å; V49-W81 HydrophobicContact CG1-CH2 4.15Å; V49-W81 HydrophobicContact CG1-CZ2 4.36Å; V49-W81 HydrophobicContact CG2-CH2 4.49Å; V49-W81 HydrophobicContact CG2-CZ2 4.35Å; V49-F101 HydrophobicContact CG1-CE2 4.12Å; V49-F101 HydrophobicContact CG1-CZ 4.02Å; V49-F101 HydrophobicContact CG2-CZ 4.22Å; V49-M105 HydrophobicContact CG2-CE 3.65Å
50V98.3Very high95.1Very high13 Ų1356.1 Ų56.18%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-123119.7176.6-176.30000109I36 N37 Y39 R48 V52 I61I36-V50 WeakPolarHBondContact CA-O 3.2Å; N37-V50 PolarHBondContact N-O 3.27Å; N37-V50 PolarHBondContact O-N 3.43Å; Y39-V50 HydrophobicContact CD2-CB 3.98Å; Y39-V50 HydrophobicContact CD2-CG2 3.75Å; Y39-V50 HydrophobicContact CE2-CB 3.95Å; Y39-V50 HydrophobicContact CE2-CG2 4.13Å; R48-V50 HydrophobicContact CG-CG2 4.07Å; V50-V52 HydrophobicContact CG1-CG2 4.19Å; V50-I61 WeakPolarHBondContact CA-O 3.2Å
51G97.8Very high95Very high0 Ų055.3 Ų55.30%030%0.304CS..EExtended strand (participates in β ladder)trans-110.9125.5175.400000111R35 V59 V60 I61R35-G51 WeakPolarHBondContact O-CA 3.42Å; G51-V59 WeakPolarHBondContact O-CA 3.44Å; G51-V60 VanDerWaalsContact O-CG2 3.29Å; G51-V60 WeakPolarHBondContact O-CG2 3.4Å; G51-V60 PolarHBondContact O-N 3.48Å; G51-I61 PolarHBondContact N-O 3.26Å; G51-I61 PolarHBondContact O-N 3.15Å
52V97.2Very high95Very high33 Ų3358.5 Ų58.520%0.232%0.321CS..EExtended strand (participates in β ladder)trans-119.8121.3179.2-175.60000109.2S34 R35 V50 Q57 Q58 V59S34-V52 CarbonylContact C-O 3.54Å; S34-V52 VanDerWaalsContact CA-O 3.26Å; S34-V52 WeakPolarHBondContact CA-O 3.47Å; S34-V52 WeakPolarHBondContact CB-O 3.27Å; R35-V52 PolarHBondContact N-O 2.95Å; R35-V52 PolarHBondContact O-N 3.41Å; V50-V52 HydrophobicContact CG1-CG2 4.19Å; V52-Q57 VanDerWaalsContact CG1-C 3.47Å; V52-Q57 HydrophobicContact CG1-CB 4.3Å; V52-Q57 VanDerWaalsContact CG1-O 3.29Å; V52-Q57 WeakPolarHBondContact CG1-O 3.26Å; V52-Q58 WeakPolarHBondContact CA-O 3.42Å; V52-V59 HydrophobicContact CG2-CG2 4.37Å
53K94.8Very high95.2Very high12 Ų1255.4 Ų55.45%0.05230%0.3CS..EExtended strand (participates in β ladder)trans-66.4135.9-177.2177.2165.9172.5-106.20111.1S34 Q55 D56 Q57 Q58 V60S34-K53 WeakPolarHBondContact OG-CA 3.48Å; K53-Q55 PolarHBondContact O-N 3.42Å; K53-D56 VanDerWaalsContact CB-OD1 3.3Å; K53-D56 WeakPolarHBondContact CB-OD1 3.31Å; K53-D56 VanDerWaalsContact CG-OD1 3.31Å; K53-D56 WeakPolarHBondContact CG-OD1 3.5Å; K53-D56 IonicContact NZ-OD1 2.66Å; K53-D56 IonicContact NZ-OD2 2.7Å; K53-D56 PolarHBondContact NZ-OD2 3.47Å; K53-Q57 VanDerWaalsContact O-CA 3.24Å; K53-Q57 WeakPolarHBondContact O-CA 3.5Å; K53-Q57 PolarHBondContact O-N 3.35Å; K53-Q58 PolarHBondContact N-O 3.21Å; K53-V60 HydrophobicContact CB-CG1 3.93Å
54L93Very high95.4Very high91 Ų9155 Ų5548%0.47629%0.293SS..THydrogen-bonded Turntrans-70.7-28.2-171-68.9173.2000113.8F33 R35F33-L54 HydrophobicContact CB-CD1 3.85Å; F33-L54 WeakPolarHBondContact O-CG 3.4Å; F33-L54 PolarHBondContact O-N 2.91Å; F33-L54 VanDerWaalsContact O-N 3.16Å; R35-L54 HydrophobicContact CB-CD2 3.95Å
55Q89.9Confident95.6Very high157 Ų15752.4 Ų52.473%0.73427%0.274SS*.THydrogen-bonded Turntrans-75.2-41.4-175.5-119.278.630.700114K53K53-Q55 PolarHBondContact O-N 3.42Å
56D91Very high95.7Very high74 Ų7453 Ų5340%0.39628%0.279SS..THydrogen-bonded Turntrans-129.43.6-164.551.819.2000112.6K53 Q58K53-D56 VanDerWaalsContact CB-OD1 3.3Å; K53-D56 WeakPolarHBondContact CB-OD1 3.31Å; K53-D56 VanDerWaalsContact CG-OD1 3.31Å; K53-D56 WeakPolarHBondContact CG-OD1 3.5Å; K53-D56 IonicContact NZ-OD1 2.66Å; K53-D56 IonicContact NZ-OD2 2.7Å; K53-D56 PolarHBondContact NZ-OD2 3.47Å; D56-Q58 PolarHBondContact O-N 3.09Å; D56-Q58 VanDerWaalsContact O-N 3.11Å; D56-Q58 VanDerWaalsContact OD1-CB 3.26Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.26Å; D56-Q58 PolarHBondContact OD1-N 3Å
57Q92.9Very high95.5Very high153 Ų15354.1 Ų54.172%0.71528%0.279SS*.  trans5523.6-175.4-56.6-170.788.800113.9V52 K53V52-Q57 VanDerWaalsContact CG1-C 3.47Å; V52-Q57 HydrophobicContact CG1-CB 4.3Å; V52-Q57 VanDerWaalsContact CG1-O 3.29Å; V52-Q57 WeakPolarHBondContact CG1-O 3.26Å; K53-Q57 VanDerWaalsContact O-CA 3.24Å; K53-Q57 WeakPolarHBondContact O-CA 3.5Å; K53-Q57 PolarHBondContact O-N 3.35Å
58Q93.7Very high95.3Very high82 Ų8256.4 Ų56.438%0.38330%0.303SS..  trans-77.2130.6-178.2-162.1-168.664.200110.9V52 K53 D56 V60V52-Q58 WeakPolarHBondContact CA-O 3.42Å; K53-Q58 PolarHBondContact N-O 3.21Å; D56-Q58 PolarHBondContact O-N 3.09Å; D56-Q58 VanDerWaalsContact O-N 3.11Å; D56-Q58 VanDerWaalsContact OD1-CB 3.26Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.26Å; D56-Q58 PolarHBondContact OD1-N 3Å; Q58-V60 PolarHBondContact O-N 2.83Å
59V95.7Very high95.2Very high76 Ų7654.2 Ų54.246%0.46130%0.296SS..EExtended strand (participates in β ladder)trans-65.4118.4169.5-176.20000108.9K27 G51 V52 N62K27-V59 PolarHBondContact NZ-O 2.66Å; G51-V59 WeakPolarHBondContact O-CA 3.44Å; V52-V59 HydrophobicContact CG2-CG2 4.37Å; V59-N62 HydrophobicContact CG1-CB 4.21Å
60V95.4Very high95Very high16 Ų1662.2 Ų62.210%0.09733%0.331CS..EExtended strand (participates in β ladder)trans-102.7-26.2179.6-68.70000112.9V13 I26 K27 S34 G51 K53 Q58V13-V60 HydrophobicContact CB-CG2 4.31Å; V13-V60 HydrophobicContact CG2-CG2 3.77Å; I26-V60 WeakPolarHBondContact CD1-O 3.39Å; I26-V60 HydrophobicContact CG2-CB 3.92Å; K27-V60 HydrophobicContact CD-CG1 4.33Å; S34-V60 WeakPolarHBondContact OG-CG2 3.39Å; G51-V60 VanDerWaalsContact O-CG2 3.29Å; G51-V60 WeakPolarHBondContact O-CG2 3.4Å; G51-V60 PolarHBondContact O-N 3.48Å; K53-V60 HydrophobicContact CB-CG1 3.93Å; Q58-V60 PolarHBondContact O-N 2.83Å
61I95.8Very high95Very high10 Ų1063.1 Ų63.15%0.05133%0.333CS..EExtended strand (participates in β ladder)trans-145.7140.9171.9-172.5167.7000110V13 I26 V50 G51 W81 Y88V13-I61 HydrophobicContact CG1-CB 4.13Å; V13-I61 HydrophobicContact CG1-CD1 4.21Å; V13-I61 HydrophobicContact CG1-CG2 4.06Å; V13-I61 HydrophobicContact CG2-CG2 4.09Å; I26-I61 HydrophobicContact CD1-CB 4.22Å; I26-I61 HydrophobicContact CD1-CD1 4.48Å; I26-I61 HydrophobicContact CD1-CG1 4.46Å; V50-I61 WeakPolarHBondContact CA-O 3.2Å; G51-I61 PolarHBondContact N-O 3.26Å; G51-I61 PolarHBondContact O-N 3.15Å; I61-W81 HydrophobicContact CD1-CZ2 3.86Å; I61-Y88 HydrophobicContact CD1-CD1 3.65Å; I61-Y88 HydrophobicContact CD1-CE1 4.04Å; I61-Y88 HydrophobicContact CD1-CG 4.22Å
62N97Very high95Very high96 Ų9666.8 Ų66.851%0.51335%0.352SS..EExtended strand (participates in β ladder)trans-142.893.2171.5-177.826.3000107.1R48 V49 V59R48-N62 VanDerWaalsContact CZ-OD1 3.29Å; R48-N62 PolarHBondContact NE-OD1 2.92Å; R48-N62 VanDerWaalsContact NH2-CG 3.34Å; R48-N62 PolarHBondContact NH2-ND2 3.17Å; R48-N62 PolarHBondContact NH2-OD1 3.17Å; V49-N62 WeakPolarHBondContact O-CA 3.43Å; V59-N62 HydrophobicContact CG1-CB 4.21Å
63Y97.3Very high95.1Very high17 Ų1769.8 Ų69.87%0.06737%0.365CS..EExtended strand (participates in β ladder)trans-122.4119.9-166.9-176.2-95.8000111.1R48 V49 L69 W81 D83 Y88R48-Y63 CarbonylContact C-O 3.55Å; R48-Y63 VanDerWaalsContact CA-O 3.22Å; R48-Y63 WeakPolarHBondContact CA-O 3.16Å; V49-Y63 PolarHBondContact N-O 2.93Å; V49-Y63 PolarHBondContact O-N 3.4Å; Y63-L69 HydrophobicContact CE1-CD1 4.13Å; Y63-L69 HydrophobicContact CE1-CD2 3.96Å; Y63-L69 WeakPolarHBondContact OH-CD1 3.39Å; Y63-W81 AromaticContact CD1-NE1 3.49Å; Y63-W81 AromaticContact CE1-CD1 3.81Å; Y63-W81 AromaticContact CE1-NE1 3.5Å; Y63-W81 AromaticContact CG-NE1 3.96Å; Y63-D83 HydrophobicContact CE2-CB 4.35Å; Y63-D83 WeakPolarHBondContact CE2-OD2 3.33Å; Y63-D83 VanDerWaalsContact OH-CG 3.28Å; Y63-D83 PolarHBondContact OH-OD2 3.45Å; Y63-Y88 HydrophobicContact CD2-CD2 4.47Å; Y63-Y88 AromaticContact CD2-CE2 3.88Å; Y63-Y88 HydrophobicContact CD2-CE2 3.88Å; Y63-Y88 HydrophobicContact CE2-CD2 4.4Å; Y63-Y88 AromaticContact CE2-CE2 3.78Å; Y63-Y88 HydrophobicContact CE2-CE2 3.78Å
64S97Very high95.2Very high80 Ų8071.6 Ų71.656%0.55938%0.381SS*.EExtended strand (participates in β ladder)trans-73.7125.4175-570000110.5V66S64-V66 PolarHBondContact O-N 3.11Å
65I96.8Very high95.5Very high5 Ų570.3 Ų70.33%0.02638%0.377CS..EExtended strand (participates in β ladder)trans-76.6115.8175.7-62.9170.3000107.8I38 F47 V49 L69 M105 A108 L109 M112I38-I65 HydrophobicContact CG2-CD1 4.01Å; F47-I65 HydrophobicContact CB-CB 4.13Å; F47-I65 HydrophobicContact CB-CD1 3.96Å; F47-I65 HydrophobicContact CB-CG1 4.47Å; F47-I65 PolarHBondContact O-N 3.49Å; V49-I65 HydrophobicContact CG2-CD1 3.88Å; V49-I65 HydrophobicContact CG2-CG1 3.96Å; I65-L69 HydrophobicContact CG2-CD2 4.11Å; I65-M105 HydrophobicContact CD1-CE 4.18Å; I65-M105 HydrophobicContact CD1-SD 3.7Å; I65-M105 HydrophobicContact CG1-SD 4.22Å; I65-A108 HydrophobicContact CD1-CB 4.19Å; I65-L109 HydrophobicContact CG2-CD2 3.58Å; I65-L109 HydrophobicContact CG2-CG 4.27Å; I65-M112 HydrophobicContact CG2-CG 4.44Å
66V94.7Very high95.9Very high68 Ų6866.9 Ų66.941%0.41237%0.369SS..  trans-97.9156.3179.6-63.60000111.8S64 L69S64-V66 PolarHBondContact O-N 3.11Å; V66-L69 HydrophobicContact CG2-CB 4.17Å; V66-L69 VanDerWaalsContact O-CB 3.26Å; V66-L69 WeakPolarHBondContact O-CB 3.5Å; V66-L69 PolarHBondContact O-N 3.33Å
67K93.4Very high96.3Very high88 Ų8865.8 Ų65.838%0.38337%0.365SS..THydrogen-bonded Turntrans-54.6139.6169.8179.3175.9174.8-1770110.4L69 N113 E116K67-L69 PolarHBondContact O-N 3.26Å; K67-N113 WeakPolarHBondContact CG-OD1 3.38Å; K67-E116 HydrophobicContact CD-CG 4.25Å; K67-E116 WeakPolarHBondContact CD-OE1 3.4Å; K67-E116 VanDerWaalsContact NZ-CB 3.33Å; K67-E116 IonicContact NZ-OE1 2.7Å; K67-E116 PolarHBondContact NZ-OE1 3Å; K67-E116 IonicContact NZ-OE2 3Å; K67-E116 PolarHBondContact NZ-OE2 3.46Å
68G92.9Very high96.5Very high51 Ų5159.9 Ų59.953%0.52634%0.337SS..THydrogen-bonded Turntrans72.36.217900000115.7K70 N113G68-K70 PolarHBondContact O-N 2.86Å; G68-N113 PolarHBondContact N-OD1 3.32Å
69L95.9Very high96.8Very high16 Ų1656.1 Ų56.18%0.08432%0.319CS..  trans-57.1127.9174.2178.272.9000110.9Y63 I65 V66 K67 Y71 W81 L109Y63-L69 HydrophobicContact CE1-CD1 4.13Å; Y63-L69 HydrophobicContact CE1-CD2 3.96Å; Y63-L69 WeakPolarHBondContact OH-CD1 3.39Å; I65-L69 HydrophobicContact CG2-CD2 4.11Å; V66-L69 HydrophobicContact CG2-CB 4.17Å; V66-L69 VanDerWaalsContact O-CB 3.26Å; V66-L69 WeakPolarHBondContact O-CB 3.5Å; V66-L69 PolarHBondContact O-N 3.33Å; K67-L69 PolarHBondContact O-N 3.26Å; L69-Y71 PolarHBondContact O-N 3.48Å; L69-W81 HydrophobicContact CD1-CB 4.24Å; L69-W81 HydrophobicContact CD1-CG 4.41Å; L69-W81 HydrophobicContact CD2-CB 4.36Å; L69-W81 HydrophobicContact CD2-CG 4.3Å; L69-W81 HydrophobicContact CG-CB 4.3Å; L69-L109 HydrophobicContact CB-CD2 3.74Å; L69-L109 HydrophobicContact CD2-CD2 4.21Å; L69-L109 HydrophobicContact CG-CD2 4.41Å
70K94.8Very high96.9Very high168 Ų16854.8 Ų54.873%0.7331%0.308SS*.EExtended strand (participates in β ladder)trans-8998.7-179-67.6-174.8178.4-179.50110.9G68 W81 R82G68-K70 PolarHBondContact O-N 2.86Å; K70-W81 VanDerWaalsContact O-CA 3.27Å; K70-W81 WeakPolarHBondContact O-CA 3.42Å; K70-W81 WeakPolarHBondContact O-CB 3.34Å; K70-R82 PolarHBondContact O-N 3.04Å
71Y98Very high97Very high32 Ų3254.1 Ų54.113%0.12530%0.304CS..EExtended strand (participates in β ladder)trans-88.6138.4171.1-174.9-115.5000111.4L69 Q73 H79 W81 F101 S102 M105 L106L69-Y71 PolarHBondContact O-N 3.48Å; Y71-Q73 HydrophobicContact CE1-CG 4.05Å; Y71-H79 HydrophobicContact CE2-CB 3.9Å; Y71-H79 AromaticContact CZ-ND1 3.8Å; Y71-H79 WeakPolarHBondContact OH-CB 3.46Å; Y71-H79 PolarHBondContact OH-ND1 3.35Å; Y71-W81 HydrophobicContact CD2-CB 4.39Å; Y71-W81 HydrophobicContact CD2-CE3 4.14Å; Y71-W81 HydrophobicContact CE2-CE3 4.13Å; Y71-F101 HydrophobicContact CE2-CE1 4.17Å; Y71-F101 WeakPolarHBondContact OH-CD1 3.26Å; Y71-S102 WeakPolarHBondContact OH-CA 3.41Å; Y71-M105 HydrophobicContact CD1-CG 3.87Å; Y71-M105 HydrophobicContact CD2-CE 4.24Å; Y71-M105 HydrophobicContact CD2-CG 3.67Å; Y71-M105 HydrophobicContact CD2-SD 4.45Å; Y71-M105 HydrophobicContact CE1-CB 4.26Å; Y71-M105 HydrophobicContact CE1-CG 3.99Å; Y71-M105 HydrophobicContact CE2-CB 4.43Å; Y71-M105 HydrophobicContact CE2-CE 4.25Å; Y71-M105 HydrophobicContact CE2-CG 3.79Å; Y71-M105 HydrophobicContact CG-CG 3.69Å; Y71-L106 HydrophobicContact CD1-CD2 4.09Å; Y71-L106 HydrophobicContact CD1-CG 4.38Å
72N98Very high97Very high77 Ų7760 Ų6041%0.41233%0.325SS..EExtended strand (participates in β ladder)trans-143125.9-178.3169.7-117.4000111.2A74 H79 Q80N72-A74 PolarHBondContact O-N 2.94Å; N72-H79 WeakPolarHBondContact O-CA 3.27Å; N72-Q80 HydrophobicContact CB-CG 4.05Å; N72-Q80 PolarHBondContact N-O 3.13Å; N72-Q80 PolarHBondContact O-N 3.24Å; N72-Q80 PolarHBondContact OD1-NE2 3.49Å
73Q98.4Very high96.7Very high97 Ų9758.4 Ų58.445%0.45332%0.317SS..EExtended strand (participates in β ladder)trans-86.292.3172.8-56.4-178.413.200108.3Y71 S102Y71-Q73 HydrophobicContact CE1-CG 4.05Å; Q73-S102 VanDerWaalsContact NE2-CB 3.34Å; Q73-S102 PolarHBondContact NE2-OG 2.84Å
74A98Very high96.1Very high49 Ų4962.3 Ų62.341%0.40535%0.352SS..EExtended strand (participates in β ladder)trans-76.2-32-173.600000112.6N72 F78 Q80N72-A74 PolarHBondContact O-N 2.94Å; A74-F78 HydrophobicContact CB-CD1 4.1Å; A74-F78 WeakPolarHBondContact CB-O 3.19Å; A74-F78 PolarHBondContact N-O 3.49Å; A74-Q80 HydrophobicContact CB-CG 4.41Å
75T98.4Very high95.7Very high64 Ų6469.5 Ų69.539%0.39337%0.367SS..EExtended strand (participates in β ladder)trans-142.6168.6165.382.20000109.3T77 F78 H79T75-T77 PolarHBondContact O-N 2.91Å; T75-T77 PolarHBondContact OG1-N 2.78Å; T75-F78 HydrophobicContact CG2-CB 4.32Å; T75-F78 PolarHBondContact N-O 2.95Å; T75-F78 PolarHBondContact O-N 2.86Å; T75-F78 VanDerWaalsContact O-N 3.16Å; T75-F78 VanDerWaalsContact OG1-CB 3.32Å; T75-F78 WeakPolarHBondContact OG1-CB 3.44Å; T75-F78 PolarHBondContact OG1-N 3.44Å; T75-H79 PolarHBondContact O-CD2 3.12Å; T75-H79 PolarHBondContact O-NE2 2.99Å
76P98.6Very high95.5Very high86 Ų8672 Ų7256%0.55838%0.379SS*.THydrogen-bonded Turntrans-59.6-10.2178.2-25.335.6000116.2K95 A98P76-K95 HydrophobicContact CB-CD 4.44Å; P76-K95 HydrophobicContact CB-CG 4.21Å; P76-A98 WeakPolarHBondContact O-CB 3.47Å
77T98.5Very high95.7Very high50 Ų5069.2 Ų69.231%0.30736%0.362SS..THydrogen-bonded Turntrans-132.32.8175.959.10000113.3T75 F92 K95T75-T77 PolarHBondContact O-N 2.91Å; T75-T77 PolarHBondContact OG1-N 2.78Å; T77-F92 WeakPolarHBondContact O-CD2 3.47Å; T77-F92 PolarHBondContact O-N 3.37Å; T77-K95 HydrophobicContact CG2-CB 4.28Å
78F98.6Very high95.9Very high30 Ų3067.1 Ų67.113%0.13235%0.352CS..EExtended strand (participates in β ladder)trans-128.6103.3177.4-172-102.5000110.6W23 A74 T75 L90 N91W23-F78 HydrophobicContact CD2-CE1 4.4Å; W23-F78 AromaticContact CD2-CZ 3.72Å; W23-F78 HydrophobicContact CD2-CZ 3.72Å; W23-F78 AromaticContact CE2-CE1 3.75Å; W23-F78 AromaticContact CE2-CZ 3.52Å; W23-F78 HydrophobicContact CE3-CZ 4.02Å; W23-F78 HydrophobicContact CG-CZ 4.29Å; W23-F78 HydrophobicContact CH2-CE1 4.31Å; W23-F78 AromaticContact CH2-CZ 3.94Å; W23-F78 HydrophobicContact CH2-CZ 3.94Å; W23-F78 AromaticContact CZ2-CE1 3.73Å; W23-F78 HydrophobicContact CZ2-CE1 3.73Å; W23-F78 AromaticContact CZ2-CZ 3.67Å; W23-F78 HydrophobicContact CZ2-CZ 3.67Å; W23-F78 HydrophobicContact CZ3-CZ 4.12Å; W23-F78 AromaticContact NE1-CE1 3.95Å; W23-F78 AromaticContact NE1-CZ 3.96Å; A74-F78 HydrophobicContact CB-CD1 4.1Å; A74-F78 WeakPolarHBondContact CB-O 3.19Å; A74-F78 PolarHBondContact N-O 3.49Å; T75-F78 HydrophobicContact CG2-CB 4.32Å; T75-F78 PolarHBondContact N-O 2.95Å; T75-F78 PolarHBondContact O-N 2.86Å; T75-F78 VanDerWaalsContact O-N 3.16Å; T75-F78 VanDerWaalsContact OG1-CB 3.32Å; T75-F78 WeakPolarHBondContact OG1-CB 3.44Å; T75-F78 PolarHBondContact OG1-N 3.44Å; F78-L90 WeakPolarHBondContact CA-O 3.38Å; F78-L90 WeakPolarHBondContact CD2-O 3.32Å; F78-N91 HydrophobicContact CD2-CB 3.87Å; F78-N91 HydrophobicContact CE2-CB 4.32Å
79H98.8Very high96.1Very high2 Ų264.7 Ų64.71%0.00933%0.327CS..EExtended strand (participates in β ladder)trans-112149.8177.7-50.7168.5000109.9Y71 N72 T75 G89 L90 F92 A98Y71-H79 HydrophobicContact CE2-CB 3.9Å; Y71-H79 AromaticContact CZ-ND1 3.8Å; Y71-H79 WeakPolarHBondContact OH-CB 3.46Å; Y71-H79 PolarHBondContact OH-ND1 3.35Å; N72-H79 WeakPolarHBondContact O-CA 3.27Å; T75-H79 PolarHBondContact O-CD2 3.12Å; T75-H79 PolarHBondContact O-NE2 2.99Å; H79-G89 WeakPolarHBondContact O-CA 3.24Å; H79-L90 PolarHBondContact N-O 3.35Å; H79-L90 VanDerWaalsContact N-O 3.14Å; H79-L90 PolarHBondContact O-N 3.45Å; H79-F92 HydrophobicContact CB-CE2 3.91Å; H79-F92 AromaticContact CG-CE2 3.74Å; H79-F92 AromaticContact ND1-CE2 3.65Å; H79-A98 PolarHBondContact CE1-O 3.16Å; H79-A98 VanDerWaalsContact CE1-O 3.31Å
80Q98.5Very high96.3Very high48 Ų4864 Ų6422%0.22432%0.323CS..EExtended strand (participates in β ladder)trans-138.7156-173.761.9-176.11100111.5W23 N72 A74 V87 Y88W23-Q80 HydrophobicContact CH2-CB 4.17Å; W23-Q80 HydrophobicContact CZ2-CB 4.5Å; W23-Q80 VanDerWaalsContact CZ2-OE1 3.24Å; N72-Q80 HydrophobicContact CB-CG 4.05Å; N72-Q80 PolarHBondContact N-O 3.13Å; N72-Q80 PolarHBondContact O-N 3.24Å; N72-Q80 PolarHBondContact OD1-NE2 3.49Å; A74-Q80 HydrophobicContact CB-CG 4.41Å; Q80-V87 HydrophobicContact CB-CG1 4.47Å; Q80-Y88 CarbonylContact C-O 3.58Å; Q80-Y88 WeakPolarHBondContact CA-O 3.47Å; Q80-Y88 VanDerWaalsContact CB-O 3.32Å; Q80-Y88 WeakPolarHBondContact CB-O 3.49Å
81W98.4Very high96.4Very high2 Ų259.5 Ų59.51%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-139.4151.5165.959.293.9000111V49 I61 Y63 L69 K70 Y71 V87 Y88 L90 F101 M105V49-W81 HydrophobicContact CG1-CH2 4.15Å; V49-W81 HydrophobicContact CG1-CZ2 4.36Å; V49-W81 HydrophobicContact CG2-CH2 4.49Å; V49-W81 HydrophobicContact CG2-CZ2 4.35Å; I61-W81 HydrophobicContact CD1-CZ2 3.86Å; Y63-W81 AromaticContact CD1-NE1 3.49Å; Y63-W81 AromaticContact CE1-CD1 3.81Å; Y63-W81 AromaticContact CE1-NE1 3.5Å; Y63-W81 AromaticContact CG-NE1 3.96Å; L69-W81 HydrophobicContact CD1-CB 4.24Å; L69-W81 HydrophobicContact CD1-CG 4.41Å; L69-W81 HydrophobicContact CD2-CB 4.36Å; L69-W81 HydrophobicContact CD2-CG 4.3Å; L69-W81 HydrophobicContact CG-CB 4.3Å; K70-W81 VanDerWaalsContact O-CA 3.27Å; K70-W81 WeakPolarHBondContact O-CA 3.42Å; K70-W81 WeakPolarHBondContact O-CB 3.34Å; Y71-W81 HydrophobicContact CD2-CB 4.39Å; Y71-W81 HydrophobicContact CD2-CE3 4.14Å; Y71-W81 HydrophobicContact CE2-CE3 4.13Å; W81-V87 WeakPolarHBondContact O-CA 3.26Å; W81-V87 WeakPolarHBondContact O-CG1 3.33Å; W81-Y88 AromaticContact CD1-CD2 3.84Å; W81-Y88 HydrophobicContact CZ2-CG 4.38Å; W81-Y88 PolarHBondContact N-O 2.94Å; W81-Y88 AromaticContact NE1-CD2 3.47Å; W81-Y88 AromaticContact NE1-CG 3.77Å; W81-Y88 PolarHBondContact O-N 3.36Å; W81-L90 HydrophobicContact CH2-CD1 3.71Å; W81-L90 HydrophobicContact CH2-CD2 4.25Å; W81-L90 HydrophobicContact CH2-CG 3.73Å; W81-L90 HydrophobicContact CZ3-CD1 3.67Å; W81-L90 HydrophobicContact CZ3-CG 3.7Å; W81-F101 HydrophobicContact CH2-CZ 4.47Å; W81-F101 HydrophobicContact CZ3-CE1 4.28Å; W81-F101 HydrophobicContact CZ3-CZ 4.33Å; W81-M105 HydrophobicContact CD2-CE 4.44Å; W81-M105 HydrophobicContact CE3-CE 4.15Å; W81-M105 HydrophobicContact CZ3-CE 4.26Å
82R95.3Very high96.4Very high133 Ų13358.3 Ų58.350%0.50230%0.303SS..EExtended strand (participates in β ladder)trans-112.9127.3179.7177.5175.9-71.7-87.28.1110.4K70 V87K70-R82 PolarHBondContact O-N 3.04Å; R82-V87 HydrophobicContact CB-CG1 4.46Å; R82-V87 HydrophobicContact CG-CG2 4.43Å; R82-V87 VanDerWaalsContact NH2-CG2 3.26Å
83D89.6Confident96.5Very high64 Ų6456.4 Ų56.434%0.34230%0.297SS..  trans-96.2176.8163.4-160.3-9.3000109.9Y63 R85 Q86 Y88Y63-D83 HydrophobicContact CE2-CB 4.35Å; Y63-D83 WeakPolarHBondContact CE2-OD2 3.33Å; Y63-D83 VanDerWaalsContact OH-CG 3.28Å; Y63-D83 PolarHBondContact OH-OD2 3.45Å; D83-R85 PolarHBondContact O-N 3.5Å; D83-Q86 PolarHBondContact N-O 3.02Å; D83-Y88 HydrophobicContact CB-CE2 4.4Å
84A85.7Confident96.5Very high98 Ų9853.1 Ų53.181%0.8129%0.285SS*.SBendtrans-55.9-23.1-178.700000114.6
85R88.2Confident96.5Very high231 Ų23156.5 Ų56.587%0.87229%0.291SS*.SBendtrans-130.7-24.8-177.7-63.5-174.2178.3-144.7-1.4115.3D83D83-R85 PolarHBondContact O-N 3.5Å
86Q93.7Very high96.5Very high59 Ų5959.2 Ų59.228%0.27630%0.299SS..  trans-128.5138.5-170.2-170.357.372.600110.6V15 Y16 D83 Y88V15-Q86 HydrophobicContact CG1-CG 4.28Å; Y16-Q86 PolarHBondContact O-NE2 3.01Å; D83-Q86 PolarHBondContact N-O 3.02Å; Q86-Y88 HydrophobicContact CB-CE2 3.9Å; Q86-Y88 HydrophobicContact CG-CD1 4.41Å; Q86-Y88 HydrophobicContact CG-CD2 4.33Å; Q86-Y88 HydrophobicContact CG-CE1 3.97Å; Q86-Y88 HydrophobicContact CG-CE2 3.89Å
87V97.2Very high96.5Very high8 Ų856.6 Ų56.65%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-97.8128.7162.4-157.10000108.5V15 Y16 W23 Q80 W81 R82V15-V87 WeakPolarHBondContact CA-O 3.49Å; Y16-V87 PolarHBondContact N-O 3.47Å; W23-V87 HydrophobicContact CH2-CB 4.16Å; W23-V87 HydrophobicContact CH2-CG1 3.74Å; W23-V87 HydrophobicContact CZ2-CG1 4.44Å; Q80-V87 HydrophobicContact CB-CG1 4.47Å; W81-V87 WeakPolarHBondContact O-CA 3.26Å; W81-V87 WeakPolarHBondContact O-CG1 3.33Å; R82-V87 HydrophobicContact CB-CG1 4.46Å; R82-V87 HydrophobicContact CG-CG2 4.43Å; R82-V87 VanDerWaalsContact NH2-CG2 3.26Å
88Y98Very high96.5Very high45 Ų4554.2 Ų54.218%0.17627%0.265CS..EExtended strand (participates in β ladder)trans-103.6144.3172.4-62.1-84000109.1V15 I26 I61 Y63 Q80 W81 D83 Q86V15-Y88 HydrophobicContact CG1-CD1 3.88Å; V15-Y88 HydrophobicContact CG1-CE1 4.08Å; I26-Y88 HydrophobicContact CD1-CD1 4.3Å; I26-Y88 HydrophobicContact CD1-CE1 4.15Å; I61-Y88 HydrophobicContact CD1-CD1 3.65Å; I61-Y88 HydrophobicContact CD1-CE1 4.04Å; I61-Y88 HydrophobicContact CD1-CG 4.22Å; Y63-Y88 HydrophobicContact CD2-CD2 4.47Å; Y63-Y88 AromaticContact CD2-CE2 3.88Å; Y63-Y88 HydrophobicContact CD2-CE2 3.88Å; Y63-Y88 HydrophobicContact CE2-CD2 4.4Å; Y63-Y88 AromaticContact CE2-CE2 3.78Å; Y63-Y88 HydrophobicContact CE2-CE2 3.78Å; Q80-Y88 CarbonylContact C-O 3.58Å; Q80-Y88 WeakPolarHBondContact CA-O 3.47Å; Q80-Y88 VanDerWaalsContact CB-O 3.32Å; Q80-Y88 WeakPolarHBondContact CB-O 3.49Å; W81-Y88 AromaticContact CD1-CD2 3.84Å; W81-Y88 HydrophobicContact CZ2-CG 4.38Å; W81-Y88 PolarHBondContact N-O 2.94Å; W81-Y88 AromaticContact NE1-CD2 3.47Å; W81-Y88 AromaticContact NE1-CG 3.77Å; W81-Y88 PolarHBondContact O-N 3.36Å; D83-Y88 HydrophobicContact CB-CE2 4.4Å; Q86-Y88 HydrophobicContact CB-CE2 3.9Å; Q86-Y88 HydrophobicContact CG-CD1 4.41Å; Q86-Y88 HydrophobicContact CG-CD2 4.33Å; Q86-Y88 HydrophobicContact CG-CE1 3.97Å; Q86-Y88 HydrophobicContact CG-CE2 3.89Å
89G98.1Very high96.5Very high0 Ų055.7 Ų55.70%028%0.276CS..EExtended strand (participates in β ladder)trans-135.5141.8177.900000110.8M14 H79M14-G89 PolarHBondContact N-O 3.14Å; M14-G89 PolarHBondContact O-N 2.94Å; H79-G89 WeakPolarHBondContact O-CA 3.24Å
90L98.6Very high96.5Very high0 Ų059 Ų590%030%0.297CS..EExtended strand (participates in β ladder)trans-117.8118.2172.9-66.5-176000108.7A11 V13 I36 F78 H79 W81 F92 F101A11-L90 HydrophobicContact CB-CB 3.92Å; A11-L90 HydrophobicContact CB-CD2 4.19Å; A11-L90 HydrophobicContact CB-CG 4.47Å; V13-L90 HydrophobicContact CB-CD2 4.26Å; V13-L90 HydrophobicContact CG1-CD2 4.2Å; V13-L90 HydrophobicContact CG2-CD2 3.8Å; I36-L90 HydrophobicContact CD1-CD2 4.24Å; I36-L90 HydrophobicContact CG1-CD1 4.43Å; I36-L90 HydrophobicContact CG1-CD2 4.3Å; I36-L90 HydrophobicContact CG2-CD1 4.11Å; F78-L90 WeakPolarHBondContact CA-O 3.38Å; F78-L90 WeakPolarHBondContact CD2-O 3.32Å; H79-L90 PolarHBondContact N-O 3.35Å; H79-L90 VanDerWaalsContact N-O 3.14Å; H79-L90 PolarHBondContact O-N 3.45Å; W81-L90 HydrophobicContact CH2-CD1 3.71Å; W81-L90 HydrophobicContact CH2-CD2 4.25Å; W81-L90 HydrophobicContact CH2-CG 3.73Å; W81-L90 HydrophobicContact CZ3-CD1 3.67Å; W81-L90 HydrophobicContact CZ3-CG 3.7Å; L90-F92 HydrophobicContact CB-CD2 4.32Å; L90-F92 HydrophobicContact CB-CE1 4.34Å; L90-F92 HydrophobicContact CB-CE2 3.7Å; L90-F92 HydrophobicContact CB-CZ 3.7Å; L90-F92 HydrophobicContact CD1-CE1 4.11Å; L90-F92 HydrophobicContact CD1-CE2 4.45Å; L90-F92 HydrophobicContact CD1-CZ 3.66Å; L90-F92 HydrophobicContact CG-CZ 4.36Å; L90-F101 HydrophobicContact CD1-CD1 4.31Å; L90-F101 HydrophobicContact CD1-CE1 3.76Å; L90-F101 HydrophobicContact CD1-CE2 4.01Å; L90-F101 HydrophobicContact CD1-CZ 3.58Å
91N98.1Very high96.5Very high75 Ų7556.8 Ų56.840%0.40129%0.286SS..EExtended strand (participates in β ladder)trans-95.898.8169.8-169.47.7000108.7A11 S12 F78A11-N91 CarbonylContact C-O 3.57Å; A11-N91 WeakPolarHBondContact CA-O 3.42Å; A11-N91 WeakPolarHBondContact CB-O 3.22Å; S12-N91 PolarHBondContact N-O 2.95Å; S12-N91 PolarHBondContact O-N 2.92Å; F78-N91 HydrophobicContact CD2-CB 3.87Å; F78-N91 HydrophobicContact CE2-CB 4.32Å
92F98.7Very high96.5Very high7 Ų756.8 Ų56.83%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-71.4149.2-173.3-66.8-84.3000112.3A9 R10 A11 T77 H79 L90 S94 A98 F101A9-F92 HydrophobicContact CB-CD1 4.07Å; A9-F92 HydrophobicContact CB-CE1 3.97Å; R10-F92 WeakPolarHBondContact O-CA 3.42Å; A11-F92 HydrophobicContact CB-CD1 3.81Å; A11-F92 HydrophobicContact CB-CE1 4.12Å; A11-F92 HydrophobicContact CB-CG 4.2Å; T77-F92 WeakPolarHBondContact O-CD2 3.47Å; T77-F92 PolarHBondContact O-N 3.37Å; H79-F92 HydrophobicContact CB-CE2 3.91Å; H79-F92 AromaticContact CG-CE2 3.74Å; H79-F92 AromaticContact ND1-CE2 3.65Å; L90-F92 HydrophobicContact CB-CD2 4.32Å; L90-F92 HydrophobicContact CB-CE1 4.34Å; L90-F92 HydrophobicContact CB-CE2 3.7Å; L90-F92 HydrophobicContact CB-CZ 3.7Å; L90-F92 HydrophobicContact CD1-CE1 4.11Å; L90-F92 HydrophobicContact CD1-CE2 4.45Å; L90-F92 HydrophobicContact CD1-CZ 3.66Å; L90-F92 HydrophobicContact CG-CZ 4.36Å; F92-S94 VanDerWaalsContact C-N 3.27Å; F92-S94 WeakPolarHBondContact CB-O 3.49Å; F92-S94 PolarHBondContact O-N 3.05Å; F92-A98 HydrophobicContact CB-CB 3.82Å; F92-A98 HydrophobicContact CD1-CB 4.26Å; F92-A98 HydrophobicContact CD2-CB 3.45Å; F92-A98 VanDerWaalsContact CD2-CB 3.45Å; F92-A98 HydrophobicContact CE2-CB 4.08Å; F92-A98 HydrophobicContact CG-CB 3.57Å; F92-F101 HydrophobicContact CE1-CB 3.6Å; F92-F101 HydrophobicContact CE1-CD1 4.07Å; F92-F101 HydrophobicContact CE1-CD2 4.29Å; F92-F101 AromaticContact CE1-CG 3.73Å; F92-F101 HydrophobicContact CE1-CG 3.73Å; F92-F101 HydrophobicContact CZ-CB 3.83Å; F92-F101 AromaticContact CZ-CD1 3.52Å; F92-F101 HydrophobicContact CZ-CD1 3.52Å; F92-F101 HydrophobicContact CZ-CD2 4.48Å; F92-F101 HydrophobicContact CZ-CE1 4.19Å; F92-F101 AromaticContact CZ-CG 3.68Å; F92-F101 HydrophobicContact CZ-CG 3.68Å
93A98.3Very high96.7Very high36 Ų3655.3 Ų55.330%0.29829%0.289SS..SBendtrans-72.1-20.3176.700000113.1R10 F33 E97R10-A93 HydrophobicContact CB-CB 3.98Å; R10-A93 PolarHBondContact O-N 2.97Å; F33-A93 HydrophobicContact CD1-CB 3.94Å; F33-A93 HydrophobicContact CE1-CB 3.56Å; F33-A93 HydrophobicContact CZ-CB 3.88Å; A93-E97 WeakPolarHBondContact CB-OE2 3.3Å
94S98.5Very high97.1Very high28 Ų2852.8 Ų52.820%0.19628%0.277CS..SBendtrans-152.6166.4173100.60000112.3F92 E96 E97 A98F92-S94 VanDerWaalsContact C-N 3.27Å; F92-S94 WeakPolarHBondContact CB-O 3.49Å; F92-S94 PolarHBondContact O-N 3.05Å; S94-E96 VanDerWaalsContact C-N 3.32Å; S94-E96 WeakPolarHBondContact CB-OE2 3.26Å; S94-E96 PolarHBondContact OG-N 3.48Å; S94-E96 PolarHBondContact OG-OE2 3.37Å; S94-E97 PolarHBondContact OG-N 2.91Å; S94-A98 PolarHBondContact O-N 2.7Å; S94-A98 VanDerWaalsContact O-N 3.12Å
95K98.4Very high97.7Very high120 Ų12048.1 Ų48.152%0.52224%0.238SC..Hα-helixtrans-69.3-32.6176.3-179.8-171.9173.4-167.90111.7P76 T77 A98 T99P76-K95 HydrophobicContact CB-CD 4.44Å; P76-K95 HydrophobicContact CB-CG 4.21Å; T77-K95 HydrophobicContact CG2-CB 4.28Å; K95-A98 PolarHBondContact O-N 3.42Å; K95-T99 WeakPolarHBondContact O-CB 3.28Å; K95-T99 PolarHBondContact O-N 3.35Å; K95-T99 PolarHBondContact O-OG1 3.29Å
96E98.6Very high98.2Very high122 Ų12241.2 Ų41.257%0.5722%0.218SC*.Hα-helixtrans-68.9-43.3179.8-56.364.8-13500109.8S94 T99 T100S94-E96 VanDerWaalsContact C-N 3.32Å; S94-E96 WeakPolarHBondContact CB-OE2 3.26Å; S94-E96 PolarHBondContact OG-N 3.48Å; S94-E96 PolarHBondContact OG-OE2 3.37Å; E96-T99 PolarHBondContact O-N 2.97Å; E96-T100 WeakPolarHBondContact O-CB 3.48Å; E96-T100 PolarHBondContact O-N 2.84Å; E96-T100 PolarHBondContact O-OG1 3.25Å
97E98.6Very high98.3Very high31 Ų3143.6 Ų43.615%0.14523%0.228CC..Hα-helixtrans-64.7-40.8172.9-69.4-177.794.200111.7A9 R10 A93 S94 F101A9-E97 HydrophobicContact CB-CB 4.03Å; R10-E97 WeakPolarHBondContact CB-OE1 3.27Å; R10-E97 VanDerWaalsContact CG-OE1 3.27Å; R10-E97 WeakPolarHBondContact CG-OE1 3.41Å; R10-E97 IonicContact CZ-OE1 3.9Å; R10-E97 IonicContact CZ-OE2 2.9Å; R10-E97 PolarHBondContact N-OE1 3.29Å; R10-E97 IonicContact NE-OE1 2.66Å; R10-E97 PolarHBondContact NE-OE1 3.38Å; R10-E97 IonicContact NE-OE2 3.78Å; R10-E97 PolarHBondContact NE-OE2 3.07Å; R10-E97 IonicContact NH2-OE1 3.67Å; R10-E97 IonicContact NH2-OE2 3.79Å; R10-E97 PolarHBondContact NH2-OE2 2.65Å; A93-E97 WeakPolarHBondContact CB-OE2 3.3Å; S94-E97 PolarHBondContact OG-N 2.91Å; E97-F101 WeakPolarHBondContact O-CB 3.48Å; E97-F101 PolarHBondContact O-N 2.91Å
98A98.7Very high98.4Very high0 Ų043.2 Ų43.20%023%0.226CC..Hα-helixtrans-62.7-43.8174.700000112.3P76 H79 F92 S94 K95 S102P76-A98 WeakPolarHBondContact O-CB 3.47Å; H79-A98 PolarHBondContact CE1-O 3.16Å; H79-A98 VanDerWaalsContact CE1-O 3.31Å; F92-A98 HydrophobicContact CB-CB 3.82Å; F92-A98 HydrophobicContact CD1-CB 4.26Å; F92-A98 HydrophobicContact CD2-CB 3.45Å; F92-A98 VanDerWaalsContact CD2-CB 3.45Å; F92-A98 HydrophobicContact CE2-CB 4.08Å; F92-A98 HydrophobicContact CG-CB 3.57Å; S94-A98 PolarHBondContact O-N 2.7Å; S94-A98 VanDerWaalsContact O-N 3.12Å; K95-A98 PolarHBondContact O-N 3.42Å; A98-S102 VanDerWaalsContact O-CB 3.28Å; A98-S102 WeakPolarHBondContact O-CB 3.45Å; A98-S102 PolarHBondContact O-N 2.86Å; A98-S102 PolarHBondContact O-OG 2.94Å
99T98.7Very high98.3Very high61 Ų6141.6 Ų41.637%0.37422%0.22SC..Hα-helixtrans-63.8-49.2178.4-59.90000110.3K95 E96 F101 S102 N103K95-T99 WeakPolarHBondContact O-CB 3.28Å; K95-T99 PolarHBondContact O-N 3.35Å; K95-T99 PolarHBondContact O-OG1 3.29Å; E96-T99 PolarHBondContact O-N 2.97Å; T99-F101 PolarHBondContact O-N 3.17Å; T99-S102 PolarHBondContact O-N 3.49Å; T99-S102 VanDerWaalsContact O-N 3.1Å; T99-S102 PolarHBondContact O-OG 2.79Å; T99-N103 PolarHBondContact O-N 3.01Å
100T98.5Very high98.2Very high72 Ų7246.5 Ų46.544%0.44225%0.246SC..Hα-helixtrans-55.7-49.4177.4-57.10000111.7C7 E96 S102 A104C7-T100 HydrophobicContact CB-CG2 4.48Å; E96-T100 WeakPolarHBondContact O-CB 3.48Å; E96-T100 PolarHBondContact O-N 2.84Å; E96-T100 PolarHBondContact O-OG1 3.25Å; T100-S102 VanDerWaalsContact C-N 3.34Å; T100-S102 PolarHBondContact O-N 2.94Å; T100-A104 PolarHBondContact O-N 2.88Å
101F98.9Very high98Very high0 Ų048.6 Ų48.60%026%0.257CS..Hα-helixtrans-63.5-39.8176.4-178-86.7000112.1A9 I36 I38 V49 Y71 W81 L90 F92 E97 T99 A104 M105A9-F101 HydrophobicContact CB-CB 4.05Å; I36-F101 HydrophobicContact CB-CE2 4.44Å; I36-F101 HydrophobicContact CG2-CD2 4.13Å; I36-F101 HydrophobicContact CG2-CE2 3.52Å; I36-F101 HydrophobicContact CG2-CZ 4.31Å; I38-F101 HydrophobicContact CD1-CD2 4.14Å; I38-F101 HydrophobicContact CD1-CE1 4.42Å; I38-F101 HydrophobicContact CD1-CE2 3.74Å; I38-F101 HydrophobicContact CD1-CZ 3.91Å; I38-F101 HydrophobicContact CG1-CD2 4.15Å; I38-F101 HydrophobicContact CG1-CE2 3.57Å; I38-F101 HydrophobicContact CG1-CZ 4.09Å; V49-F101 HydrophobicContact CG1-CE2 4.12Å; V49-F101 HydrophobicContact CG1-CZ 4.02Å; V49-F101 HydrophobicContact CG2-CZ 4.22Å; Y71-F101 HydrophobicContact CE2-CE1 4.17Å; Y71-F101 WeakPolarHBondContact OH-CD1 3.26Å; W81-F101 HydrophobicContact CH2-CZ 4.47Å; W81-F101 HydrophobicContact CZ3-CE1 4.28Å; W81-F101 HydrophobicContact CZ3-CZ 4.33Å; L90-F101 HydrophobicContact CD1-CD1 4.31Å; L90-F101 HydrophobicContact CD1-CE1 3.76Å; L90-F101 HydrophobicContact CD1-CE2 4.01Å; L90-F101 HydrophobicContact CD1-CZ 3.58Å; F92-F101 HydrophobicContact CE1-CB 3.6Å; F92-F101 HydrophobicContact CE1-CD1 4.07Å; F92-F101 HydrophobicContact CE1-CD2 4.29Å; F92-F101 AromaticContact CE1-CG 3.73Å; F92-F101 HydrophobicContact CE1-CG 3.73Å; F92-F101 HydrophobicContact CZ-CB 3.83Å; F92-F101 AromaticContact CZ-CD1 3.52Å; F92-F101 HydrophobicContact CZ-CD1 3.52Å; F92-F101 HydrophobicContact CZ-CD2 4.48Å; F92-F101 HydrophobicContact CZ-CE1 4.19Å; F92-F101 AromaticContact CZ-CG 3.68Å; F92-F101 HydrophobicContact CZ-CG 3.68Å; E97-F101 WeakPolarHBondContact O-CB 3.48Å; E97-F101 PolarHBondContact O-N 2.91Å; T99-F101 PolarHBondContact O-N 3.17Å; F101-A104 PolarHBondContact O-N 2.91Å; F101-M105 HydrophobicContact CD1-CB 4.46Å; F101-M105 HydrophobicContact CE1-CB 4.22Å; F101-M105 HydrophobicContact CE1-CE 3.77Å; F101-M105 HydrophobicContact CZ-CE 3.78Å; F101-M105 WeakPolarHBondContact O-CB 3.44Å; F101-M105 PolarHBondContact O-N 3.34Å
102S98.6Very high97.8Very high3 Ų345.8 Ų45.82%0.02124%0.242CC..Hα-helixtrans-66.6-38.6-17876.10000113.3Y71 Q73 A98 T99 T100 M105 L106Y71-S102 WeakPolarHBondContact OH-CA 3.41Å; Q73-S102 VanDerWaalsContact NE2-CB 3.34Å; Q73-S102 PolarHBondContact NE2-OG 2.84Å; A98-S102 VanDerWaalsContact O-CB 3.28Å; A98-S102 WeakPolarHBondContact O-CB 3.45Å; A98-S102 PolarHBondContact O-N 2.86Å; A98-S102 PolarHBondContact O-OG 2.94Å; T99-S102 PolarHBondContact O-N 3.49Å; T99-S102 VanDerWaalsContact O-N 3.1Å; T99-S102 PolarHBondContact O-OG 2.79Å; T100-S102 VanDerWaalsContact C-N 3.34Å; T100-S102 PolarHBondContact O-N 2.94Å; S102-M105 PolarHBondContact O-N 2.94Å; S102-L106 WeakPolarHBondContact O-CB 3.28Å; S102-L106 VanDerWaalsContact O-CG 3.27Å; S102-L106 WeakPolarHBondContact O-CG 3.3Å; S102-L106 PolarHBondContact O-N 3.47Å
103N98.5Very high97.5Very high101 Ų10148.9 Ų48.954%0.5426%0.259SS..Hα-helixtrans-62-46.2176.6-68.1-13.3000110.6T99 L106 F107T99-N103 PolarHBondContact O-N 3.01Å; N103-L106 PolarHBondContact O-N 3.36Å; N103-F107 VanDerWaalsContact O-CB 3.3Å; N103-F107 WeakPolarHBondContact O-CB 3.41Å; N103-F107 PolarHBondContact O-N 3.48Å
104A98.6Very high97.1Very high11 Ų1151.1 Ų51.19%0.09127%0.272CS..Hα-helixtrans-68.5-37.3177.900000113.4I6 C7 I38 T100 F101 A108I6-A104 HydrophobicContact CD1-CB 4.03Å; I6-A104 HydrophobicContact CG1-CB 4.27Å; C7-A104 HydrophobicContact CB-CB 3.51Å; C7-A104 VanDerWaalsContact SG-CB 3.56Å; I38-A104 HydrophobicContact CD1-CB 4.15Å; T100-A104 PolarHBondContact O-N 2.88Å; F101-A104 PolarHBondContact O-N 2.91Å; A104-A108 WeakPolarHBondContact O-CB 3.24Å; A104-A108 PolarHBondContact O-N 3.34Å
105M98.4Very high96Very high0 Ų054.5 Ų54.50%029%0.285CS..Hα-helixtrans-63.6-47.2173.7176.565.883.900111.3I38 V49 I65 Y71 W81 F101 S102 A108 L109I38-M105 HydrophobicContact CD1-CB 3.91Å; V49-M105 HydrophobicContact CG2-CE 3.65Å; I65-M105 HydrophobicContact CD1-CE 4.18Å; I65-M105 HydrophobicContact CD1-SD 3.7Å; I65-M105 HydrophobicContact CG1-SD 4.22Å; Y71-M105 HydrophobicContact CD1-CG 3.87Å; Y71-M105 HydrophobicContact CD2-CE 4.24Å; Y71-M105 HydrophobicContact CD2-CG 3.67Å; Y71-M105 HydrophobicContact CD2-SD 4.45Å; Y71-M105 HydrophobicContact CE1-CB 4.26Å; Y71-M105 HydrophobicContact CE1-CG 3.99Å; Y71-M105 HydrophobicContact CE2-CB 4.43Å; Y71-M105 HydrophobicContact CE2-CE 4.25Å; Y71-M105 HydrophobicContact CE2-CG 3.79Å; Y71-M105 HydrophobicContact CG-CG 3.69Å; W81-M105 HydrophobicContact CD2-CE 4.44Å; W81-M105 HydrophobicContact CE3-CE 4.15Å; W81-M105 HydrophobicContact CZ3-CE 4.26Å; F101-M105 HydrophobicContact CD1-CB 4.46Å; F101-M105 HydrophobicContact CE1-CB 4.22Å; F101-M105 HydrophobicContact CE1-CE 3.77Å; F101-M105 HydrophobicContact CZ-CE 3.78Å; F101-M105 WeakPolarHBondContact O-CB 3.44Å; F101-M105 PolarHBondContact O-N 3.34Å; S102-M105 PolarHBondContact O-N 2.94Å; M105-A108 PolarHBondContact O-N 2.86Å; M105-L109 HydrophobicContact CG-CD1 4.02Å; M105-L109 WeakPolarHBondContact O-CB 3.22Å; M105-L109 VanDerWaalsContact O-CG 3.24Å; M105-L109 WeakPolarHBondContact O-CG 3.37Å; M105-L109 PolarHBondContact O-N 2.89Å; M105-L109 HydrophobicContact SD-CD1 4.19Å; M105-L109 HydrophobicContact SD-CG 4.32Å
106L97.7Very high94.2Very high87 Ų8755.6 Ų55.646%0.45529%0.292SS..Hα-helixtrans-65.6-38.6178.6-69.5171.8000111.9Y71 S102 N103 L109 N110Y71-L106 HydrophobicContact CD1-CD2 4.09Å; Y71-L106 HydrophobicContact CD1-CG 4.38Å; S102-L106 WeakPolarHBondContact O-CB 3.28Å; S102-L106 VanDerWaalsContact O-CG 3.27Å; S102-L106 WeakPolarHBondContact O-CG 3.3Å; S102-L106 PolarHBondContact O-N 3.47Å; N103-L106 PolarHBondContact O-N 3.36Å; L106-L109 PolarHBondContact O-N 3.06Å; L106-N110 WeakPolarHBondContact O-CB 3.43Å; L106-N110 PolarHBondContact O-N 2.86Å
107F97.5Very high91.8Very high109 Ų10952.6 Ų52.648%0.47829%0.293SS..Hα-helixtrans-59.2-50.3171.6169.7-101.2000112.3I6 F47 N103 L109 N110 I111I6-F107 HydrophobicContact CD1-CD1 4.04Å; I6-F107 HydrophobicContact CD1-CE1 4.42Å; F47-F107 HydrophobicContact CE1-CE1 4.42Å; N103-F107 VanDerWaalsContact O-CB 3.3Å; N103-F107 WeakPolarHBondContact O-CB 3.41Å; N103-F107 PolarHBondContact O-N 3.48Å; F107-L109 VanDerWaalsContact C-N 3.33Å; F107-L109 PolarHBondContact O-N 2.66Å; F107-N110 WeakPolarHBondContact O-CB 3.49Å; F107-N110 PolarHBondContact O-N 2.88Å; F107-I111 HydrophobicContact CD1-CD1 4.22Å; F107-I111 HydrophobicContact CD2-CD1 4.38Å; F107-I111 HydrophobicContact CE1-CD1 3.62Å; F107-I111 HydrophobicContact CE2-CD1 3.82Å; F107-I111 HydrophobicContact CZ-CD1 3.41Å; F107-I111 VanDerWaalsContact CZ-CD1 3.41Å; F107-I111 PolarHBondContact O-N 2.99Å; F107-I111 VanDerWaalsContact O-N 3.12Å
108A97.7Very high88.9Confident0 Ų054.6 Ų54.60%032%0.322CS..Hα-helixtrans-58.8-44.3176.400000111.7F47 I65 A104 M105 N110 I111 M112F47-A108 HydrophobicContact CB-CB 3.98Å; F47-A108 HydrophobicContact CD1-CB 3.58Å; F47-A108 HydrophobicContact CD2-CB 4.09Å; F47-A108 HydrophobicContact CE1-CB 4.02Å; F47-A108 HydrophobicContact CG-CB 3.61Å; F47-A108 HydrophobicContact CZ-CB 4.48Å; I65-A108 HydrophobicContact CD1-CB 4.19Å; A104-A108 WeakPolarHBondContact O-CB 3.24Å; A104-A108 PolarHBondContact O-N 3.34Å; M105-A108 PolarHBondContact O-N 2.86Å; A108-N110 VanDerWaalsContact C-N 3.34Å; A108-N110 PolarHBondContact O-N 3.11Å; A108-I111 PolarHBondContact O-N 3.49Å; A108-M112 VanDerWaalsContact O-CG 3.3Å; A108-M112 WeakPolarHBondContact O-CG 3.48Å; A108-M112 PolarHBondContact O-N 3.29Å
109L96.7Very high86.2Confident10 Ų1059.4 Ų59.45%0.05235%0.353CS..Hα-helixtrans-63.5-37.9176.5-70.1170.3000112.7I65 L69 M105 L106 F107 M112 N113I65-L109 HydrophobicContact CG2-CD2 3.58Å; I65-L109 HydrophobicContact CG2-CG 4.27Å; L69-L109 HydrophobicContact CB-CD2 3.74Å; L69-L109 HydrophobicContact CD2-CD2 4.21Å; L69-L109 HydrophobicContact CG-CD2 4.41Å; M105-L109 HydrophobicContact CG-CD1 4.02Å; M105-L109 WeakPolarHBondContact O-CB 3.22Å; M105-L109 VanDerWaalsContact O-CG 3.24Å; M105-L109 WeakPolarHBondContact O-CG 3.37Å; M105-L109 PolarHBondContact O-N 2.89Å; M105-L109 HydrophobicContact SD-CD1 4.19Å; M105-L109 HydrophobicContact SD-CG 4.32Å; L106-L109 PolarHBondContact O-N 3.06Å; F107-L109 VanDerWaalsContact C-N 3.33Å; F107-L109 PolarHBondContact O-N 2.66Å; L109-M112 PolarHBondContact O-N 2.69Å; L109-N113 VanDerWaalsContact O-CB 3.26Å; L109-N113 WeakPolarHBondContact O-CB 3.37Å; L109-N113 PolarHBondContact O-N 2.84Å; L109-N113 PolarHBondContact O-ND2 2.92Å; L109-N113 VanDerWaalsContact O-ND2 3.1Å
110N96Very high83.2Confident104 Ų10462.5 Ų62.556%0.55638%0.377SS*.Hα-helixtrans-62.1-44.2176-170.163.8000111.6L106 F107 A108 N113 S114L106-N110 WeakPolarHBondContact O-CB 3.43Å; L106-N110 PolarHBondContact O-N 2.86Å; F107-N110 WeakPolarHBondContact O-CB 3.49Å; F107-N110 PolarHBondContact O-N 2.88Å; A108-N110 VanDerWaalsContact C-N 3.34Å; A108-N110 PolarHBondContact O-N 3.11Å; N110-N113 PolarHBondContact O-N 3.3Å; N110-S114 WeakPolarHBondContact O-CB 3.24Å; N110-S114 PolarHBondContact O-N 2.88Å; N110-S114 PolarHBondContact O-OG 3.38Å
111I94.9Very high80.6Confident43 Ų4363.4 Ų63.422%0.22139%0.387CS..Hα-helixtrans-63.6-49.9174.9-65.5171.3000111.1F47 F107 A108 N113 S114 Q115F47-I111 HydrophobicContact CE2-CB 4.01Å; F47-I111 HydrophobicContact CE2-CD1 4.31Å; F47-I111 HydrophobicContact CE2-CG2 3.8Å; F47-I111 HydrophobicContact CZ-CB 4.29Å; F47-I111 HydrophobicContact CZ-CD1 3.72Å; F47-I111 HydrophobicContact CZ-CG2 4.25Å; F107-I111 HydrophobicContact CD1-CD1 4.22Å; F107-I111 HydrophobicContact CD2-CD1 4.38Å; F107-I111 HydrophobicContact CE1-CD1 3.62Å; F107-I111 HydrophobicContact CE2-CD1 3.82Å; F107-I111 HydrophobicContact CZ-CD1 3.41Å; F107-I111 VanDerWaalsContact CZ-CD1 3.41Å; F107-I111 PolarHBondContact O-N 2.99Å; F107-I111 VanDerWaalsContact O-N 3.12Å; A108-I111 PolarHBondContact O-N 3.49Å; I111-N113 VanDerWaalsContact C-N 3.26Å; I111-N113 PolarHBondContact O-N 2.99Å; I111-S114 PolarHBondContact O-N 2.93Å; I111-S114 VanDerWaalsContact O-N 3.1Å; I111-Q115 PolarHBondContact O-N 3.29Å; I111-Q115 VanDerWaalsContact O-N 3.15Å
112M93.7Very high77.9Confident17 Ų1772.8 Ų72.88%0.08443%0.431CS..Hα-helixtrans-61.4-32.2179.2-68.4-57.3-55.900113.1F47 I65 A108 L109F47-M112 HydrophobicContact CD2-CG 3.98Å; F47-M112 HydrophobicContact CD2-SD 3.85Å; F47-M112 HydrophobicContact CE2-SD 4.42Å; I65-M112 HydrophobicContact CG2-CG 4.44Å; A108-M112 VanDerWaalsContact O-CG 3.3Å; A108-M112 WeakPolarHBondContact O-CG 3.48Å; A108-M112 PolarHBondContact O-N 3.29Å; L109-M112 PolarHBondContact O-N 2.69Å
113N92.5Very high74.9Confident72 Ų7283.5 Ų83.539%0.38547%0.471SS..Hα-helixtrans-77.6-31.3175.7-68.8-26.4000112.6K67 G68 L109 N110 I111 Q115K67-N113 WeakPolarHBondContact CG-OD1 3.38Å; G68-N113 PolarHBondContact N-OD1 3.32Å; L109-N113 VanDerWaalsContact O-CB 3.26Å; L109-N113 WeakPolarHBondContact O-CB 3.37Å; L109-N113 PolarHBondContact O-N 2.84Å; L109-N113 PolarHBondContact O-ND2 2.92Å; L109-N113 VanDerWaalsContact O-ND2 3.1Å; N110-N113 PolarHBondContact O-N 3.3Å; I111-N113 VanDerWaalsContact C-N 3.26Å; I111-N113 PolarHBondContact O-N 2.99Å; N113-Q115 VanDerWaalsContact C-N 3.33Å
114S89.5Confident72.1Confident82 Ų8287.2 Ų87.257%0.57349%0.485SS*.Hα-helixtrans-78.4-13.8179.7-56.70000113.6N110 I111 E116N110-S114 WeakPolarHBondContact O-CB 3.24Å; N110-S114 PolarHBondContact O-N 2.88Å; N110-S114 PolarHBondContact O-OG 3.38Å; I111-S114 PolarHBondContact O-N 2.93Å; I111-S114 VanDerWaalsContact O-N 3.1Å; S114-E116 PolarHBondContact O-N 2.97Å
115Q75.9Confident69.4Low100 Ų10092.2 Ų92.247%0.46751%0.514SS..THydrogen-bonded Turntrans-63.6-10.2-178.7-167.2174.613.200114.4I111 N113I111-Q115 PolarHBondContact O-N 3.29Å; I111-Q115 VanDerWaalsContact O-N 3.15Å; N113-Q115 VanDerWaalsContact C-N 3.33Å
116E59.1Low66.8Low143 Ų143100.4 Ų100.467%0.66855%0.552SS**  trans-110.658.9179.6-67.4-177.6-148.600113.2K67 S114K67-E116 HydrophobicContact CD-CG 4.25Å; K67-E116 WeakPolarHBondContact CD-OE1 3.4Å; K67-E116 VanDerWaalsContact NZ-CB 3.33Å; K67-E116 IonicContact NZ-OE1 2.7Å; K67-E116 PolarHBondContact NZ-OE1 3Å; K67-E116 IonicContact NZ-OE2 3Å; K67-E116 PolarHBondContact NZ-OE2 3.46Å; S114-E116 PolarHBondContact O-N 2.97Å
117G49.2Very low64.3Low59 Ų59104.5 Ų104.561%0.60858%0.575SS**SBend-98.1130.9118.800000107.8
118G38.3Very low62.1Low73 Ų73102 Ų10275%0.75358%0.58SS**  trans-58.2160.1172.800000111.6
119P41.9Very low60.3Low100 Ų100106.1 Ų106.165%0.64961%0.607SS**  -137147.373.938-26.5000114.9S121P119-S121 PolarHBondContact O-N 3Å
120S35.3Very low58.6Low126 Ų126108.3 Ų108.388%0.88162%0.622SS**SBendtrans-66.866.2146.653.60000110.1
121S43.6Very low57.4Low92 Ų92108 Ų10864%0.64363%0.627SS**  trans-178.388.1169.9-95.10000111P119P119-S121 PolarHBondContact O-N 3Å
122Q41.8Very low56.4Low196 Ų196111.6 Ų111.692%0.91665%0.646SS**  trans-13453.1156-146179.520.100110.9
123R37Very low55.6Low229 Ų229116.1 Ų116.186%0.86467%0.667SS**SBendtrans-125.5112156.5-87.6-167.7177.2-149.50.6106.9
124Q37.8Very low54.6Low178 Ų178118.4 Ų118.483%0.83268%0.677SS**  trans65.4154.6-176-40.2170.8-90.800111
125V43.5Very low54.2Low117 Ų117118.1 Ų118.171%0.70967%0.669SS**  cis-141.6154-1.9-133.30000108.3
126Q43.7Very low54.5Low171 Ų171118.3 Ų118.380%0.79967%0.672SS**  18.4128.5127.3-174173.670.800118.4G128Q126-G128 PolarHBondContact O-N 2.69Å; Q126-G128 VanDerWaalsContact O-N 3.13Å
127N44Very low55.6Low173 Ų173117.1 Ų117.193%0.92567%0.666SS**SBendtrans-32111.6169.9-57.8-48.5000113.4
128G52.7Low57.2Low57 Ų57121.1 Ų121.159%0.58866%0.663SS**  trans-157.4153.3177.800000110.6Q126Q126-G128 PolarHBondContact O-N 2.69Å; Q126-G128 VanDerWaalsContact O-N 3.13Å
129P58.8Low59.4Low87 Ų87125.4 Ų125.457%0.56566%0.657SS**  trans-61.1151.9-176.725.7-34.4000111.8E133P129-E133 HydrophobicContact CB-CB 4.37Å
130S62.1Low61.5Low55 Ų55126.3 Ų126.339%0.38565%0.652SS.*  trans-61.9149-170-158.60000111.6D132 E133 M134S130-D132 PolarHBondContact O-N 3.12Å; S130-D132 VanDerWaalsContact O-N 3.15Å; S130-E133 WeakPolarHBondContact CB-OE2 3.27Å; S130-E133 PolarHBondContact N-OE2 2.88Å; S130-E133 WeakPolarHBondContact O-CA 3.47Å; S130-E133 WeakPolarHBondContact O-CB 3.42Å; S130-E133 PolarHBondContact O-N 2.94Å; S130-M134 PolarHBondContact O-N 3.29Å; S130-M134 VanDerWaalsContact O-N 3.09Å
131P69.2Low63.8Low99 Ų99124.8 Ų124.864%0.64364%0.637SS**Hα-helixtrans-52.2-39.2178.9-28.836.5000113.5E133 M134 D135P131-E133 PolarHBondContact O-N 3.1Å; P131-M134 PolarHBondContact O-N 3.44Å; P131-D135 PolarHBondContact O-N 3.15Å
132D75.1Confident65.5Low118 Ų118126.1 Ų126.163%0.63164%0.635SS**Hα-helixtrans-61.1-39.8174.5-64.7-84000113.1S130 M134 D135 I136S130-D132 PolarHBondContact O-N 3.12Å; S130-D132 VanDerWaalsContact O-N 3.15Å; D132-M134 VanDerWaalsContact C-N 3.35Å; D132-D135 PolarHBondContact O-N 3.32Å; D132-I136 WeakPolarHBondContact O-CB 3.32Å; D132-I136 WeakPolarHBondContact O-CD1 3.47Å; D132-I136 WeakPolarHBondContact O-CG1 3.36Å; D132-I136 PolarHBondContact O-N 3.07Å
133E76.5Confident67.5Low112 Ų112122.2 Ų122.252%0.52362%0.616SS.*Hα-helixtrans-65.7-39.7175.2-64.7177.798.100111P129 S130 P131 I136 Q137P129-E133 HydrophobicContact CB-CB 4.37Å; S130-E133 WeakPolarHBondContact CB-OE2 3.27Å; S130-E133 PolarHBondContact N-OE2 2.88Å; S130-E133 WeakPolarHBondContact O-CA 3.47Å; S130-E133 WeakPolarHBondContact O-CB 3.42Å; S130-E133 PolarHBondContact O-N 2.94Å; P131-E133 PolarHBondContact O-N 3.1Å; E133-I136 PolarHBondContact O-N 3.29Å; E133-Q137 WeakPolarHBondContact O-CB 3.5Å; E133-Q137 PolarHBondContact O-N 3.46Å
134M72.6Confident69.7Low120 Ų120117.9 Ų117.959%0.59161%0.606SS**Hα-helixtrans-66.1-38.4177.6-167.9176.5-64.400112.2S130 P131 D132 R138S130-M134 PolarHBondContact O-N 3.29Å; S130-M134 VanDerWaalsContact O-N 3.09Å; P131-M134 PolarHBondContact O-N 3.44Å; D132-M134 VanDerWaalsContact C-N 3.35Å; M134-R138 WeakPolarHBondContact O-CB 3.28Å; M134-R138 PolarHBondContact O-N 2.93Å
135D79.9Confident71.8Confident75 Ų75114.5 Ų114.540%0.40159%0.59SS.*Hα-helixtrans-69.9-37.4174.1-101.6-61.9000112.6P131 D132 R138 R139P131-D135 PolarHBondContact O-N 3.15Å; D132-D135 PolarHBondContact O-N 3.32Å; D135-R138 PolarHBondContact O-N 3.1Å; D135-R138 IonicContact OD1-CZ 3.8Å; D135-R138 IonicContact OD1-NH1 2.8Å; D135-R138 PolarHBondContact OD1-NH1 3.28Å; D135-R139 WeakPolarHBondContact O-CB 3.15Å; D135-R139 PolarHBondContact O-N 2.93Å
136I81.9Confident73.6Confident104 Ų104114.4 Ų114.453%0.53358%0.582SS.*Hα-helixtrans-63.3-45.9172.1-69.3163.4000110.6D132 E133 R138 R139 Q140D132-I136 WeakPolarHBondContact O-CB 3.32Å; D132-I136 WeakPolarHBondContact O-CD1 3.47Å; D132-I136 WeakPolarHBondContact O-CG1 3.36Å; D132-I136 PolarHBondContact O-N 3.07Å; E133-I136 PolarHBondContact O-N 3.29Å; I136-R138 PolarHBondContact O-N 3.32Å; I136-R139 WeakPolarHBondContact O-CB 3.39Å; I136-R139 PolarHBondContact O-N 2.93Å; I136-R139 VanDerWaalsContact O-N 3.17Å; I136-Q140 PolarHBondContact O-N 3.04Å
137Q82.2Confident75.3Confident118 Ų118111.9 Ų111.955%0.55157%0.57SS**Hα-helixtrans-61.8-42.9177.1-161.588.97100111.2E133 R139 Q140 V141E133-Q137 WeakPolarHBondContact O-CB 3.5Å; E133-Q137 PolarHBondContact O-N 3.46Å; Q137-R139 VanDerWaalsContact C-N 3.34Å; Q137-R139 PolarHBondContact O-N 2.8Å; Q137-Q140 PolarHBondContact O-N 2.85Å; Q137-V141 VanDerWaalsContact O-CG2 3.25Å; Q137-V141 WeakPolarHBondContact O-CG2 3.48Å; Q137-V141 PolarHBondContact O-N 3.07Å
138R83.6Confident76.9Confident143 Ų143109.8 Ų109.854%0.5456%0.555SS.*Hα-helixtrans-61.8-39.2173.6-110.4-175.164.2-101.91.5112.4M134 D135 I136 M142M134-R138 WeakPolarHBondContact O-CB 3.28Å; M134-R138 PolarHBondContact O-N 2.93Å; D135-R138 PolarHBondContact O-N 3.1Å; D135-R138 IonicContact OD1-CZ 3.8Å; D135-R138 IonicContact OD1-NH1 2.8Å; D135-R138 PolarHBondContact OD1-NH1 3.28Å; I136-R138 PolarHBondContact O-N 3.32Å; R138-M142 WeakPolarHBondContact O-CB 3.35Å; R138-M142 PolarHBondContact O-N 3.46Å
139R84.8Confident78.2Confident164 Ų164114.5 Ų114.562%0.61956%0.555SS**Hα-helixtrans-62.7-50.8176.2-15685.964.6-173.8-4.5110.6D135 I136 Q137 V141 M142 E143D135-R139 WeakPolarHBondContact O-CB 3.15Å; D135-R139 PolarHBondContact O-N 2.93Å; I136-R139 WeakPolarHBondContact O-CB 3.39Å; I136-R139 PolarHBondContact O-N 2.93Å; I136-R139 VanDerWaalsContact O-N 3.17Å; Q137-R139 VanDerWaalsContact C-N 3.34Å; Q137-R139 PolarHBondContact O-N 2.8Å; R139-V141 PolarHBondContact O-N 2.91Å; R139-M142 PolarHBondContact O-N 3.19Å; R139-E143 WeakPolarHBondContact O-CB 3.47Å; R139-E143 PolarHBondContact O-N 3.36Å
140Q84.7Confident79Confident119 Ų119115.6 Ų115.656%0.55655%0.552SS**Hα-helixtrans-59.4-44.9178.3-77.6-172.9-8.300112.7I136 Q137 M142 E143 Q144I136-Q140 PolarHBondContact O-N 3.04Å; Q137-Q140 PolarHBondContact O-N 2.85Å; Q140-M142 VanDerWaalsContact C-N 3.35Å; Q140-M142 PolarHBondContact O-N 3.41Å; Q140-E143 PolarHBondContact O-N 2.88Å; Q140-Q144 WeakPolarHBondContact O-CB 3.49Å; Q140-Q144 PolarHBondContact O-N 3.42Å
141V84.1Confident79.6Confident93 Ų93117.6 Ų117.656%0.56456%0.556SS**Hα-helixtrans-64.4-39.8178.8171.70000111.4Q137 R139 H145Q137-V141 VanDerWaalsContact O-CG2 3.25Å; Q137-V141 WeakPolarHBondContact O-CG2 3.48Å; Q137-V141 PolarHBondContact O-N 3.07Å; R139-V141 PolarHBondContact O-N 2.91Å; V141-H145 WeakPolarHBondContact O-CB 3.41Å; V141-H145 PolarHBondContact O-N 3.33Å
142M80.3Confident79.7Confident121 Ų121116.2 Ų116.260%0.59655%0.548SS*.Hα-helixtrans-65.8-41.2176-172.7-179.9-66.300112R138 R139 Q140 H145 Q146R138-M142 WeakPolarHBondContact O-CB 3.35Å; R138-M142 PolarHBondContact O-N 3.46Å; R139-M142 PolarHBondContact O-N 3.19Å; Q140-M142 VanDerWaalsContact C-N 3.35Å; Q140-M142 PolarHBondContact O-N 3.41Å; M142-H145 PolarHBondContact O-N 2.87Å; M142-Q146 WeakPolarHBondContact O-CB 3.37Å; M142-Q146 PolarHBondContact O-N 3.33Å
143E82.4Confident79.4Confident113 Ų113115.3 Ų115.353%0.52854%0.543SS..Hα-helixtrans-68-42.9179.4-160.1175.411900111.7R139 Q140 H145 Q146 Q147R139-E143 WeakPolarHBondContact O-CB 3.47Å; R139-E143 PolarHBondContact O-N 3.36Å; Q140-E143 PolarHBondContact O-N 2.88Å; E143-H145 PolarHBondContact O-N 2.95Å; E143-Q146 PolarHBondContact O-N 3.4Å; E143-Q147 PolarHBondContact O-N 3.34Å
144Q83.1Confident78.8Confident138 Ų138115.8 Ų115.865%0.64555%0.545SS*.Hα-helixtrans-63.1-42.1175-168.1-173.89500111.9Q140 Q146 Q147 Q148Q140-Q144 WeakPolarHBondContact O-CB 3.49Å; Q140-Q144 PolarHBondContact O-N 3.42Å; Q144-Q146 VanDerWaalsContact C-N 3.29Å; Q144-Q146 PolarHBondContact O-N 3.27Å; Q144-Q147 PolarHBondContact O-N 3.3Å; Q144-Q148 WeakPolarHBondContact O-CB 3.49Å; Q144-Q148 PolarHBondContact O-N 3.25Å
145H81.9Confident78.3Confident107 Ų107118.9 Ų118.950%0.49555%0.55SS.*Hα-helixtrans-66.9-30.5175.5-171.784.6000112.4V141 M142 E143 R149V141-H145 WeakPolarHBondContact O-CB 3.41Å; V141-H145 PolarHBondContact O-N 3.33Å; M142-H145 PolarHBondContact O-N 2.87Å; E143-H145 PolarHBondContact O-N 2.95Å; H145-R149 PolarHBondContact NE2-NH2 3.31Å; H145-R149 VanDerWaalsContact NE2-NH2 3.18Å; H145-R149 WeakPolarHBondContact O-CB 3.35Å; H145-R149 PolarHBondContact O-N 3.32Å
146Q81.5Confident77.3Confident116 Ų116124.5 Ų124.554%0.54257%0.566SS.*Hα-helixtrans-70.5-44.8174.5-171.5176.8100.500111.8M142 E143 Q144 R149 Q150M142-Q146 WeakPolarHBondContact O-CB 3.37Å; M142-Q146 PolarHBondContact O-N 3.33Å; E143-Q146 PolarHBondContact O-N 3.4Å; Q144-Q146 VanDerWaalsContact C-N 3.29Å; Q144-Q146 PolarHBondContact O-N 3.27Å; Q146-R149 PolarHBondContact O-N 3.34Å; Q146-Q150 PolarHBondContact O-N 2.69Å; Q146-Q150 VanDerWaalsContact O-N 3.1Å
147Q79.5Confident76.1Confident118 Ų118124.7 Ų124.755%0.55157%0.572SS**Hα-helixtrans-60.8-48.2175.6-72.7179.225.700111.5E143 Q144 R149 Q150 E151E143-Q147 PolarHBondContact O-N 3.34Å; Q144-Q147 PolarHBondContact O-N 3.3Å; Q147-R149 PolarHBondContact O-N 2.87Å; Q147-Q150 PolarHBondContact O-N 2.95Å; Q147-E151 PolarHBondContact O-N 3.48Å
148Q78.5Confident74.7Confident129 Ų129124 Ų12460%0.60358%0.58SS**Hα-helixtrans-62.7-28.5179.5-166.5176.188.200112.7Q144 S152Q144-Q148 WeakPolarHBondContact O-CB 3.49Å; Q144-Q148 PolarHBondContact O-N 3.25Å; Q148-S152 WeakPolarHBondContact O-CB 3.48Å; Q148-S152 PolarHBondContact O-N 3.44Å
149R79.5Confident73Confident155 Ų155121.1 Ų121.159%0.58559%0.587SS**Hα-helixtrans-70.1-44171.6-173.2-179.9-61.6-148.20.1112.1H145 Q146 Q147 S152 L153H145-R149 PolarHBondContact NE2-NH2 3.31Å; H145-R149 VanDerWaalsContact NE2-NH2 3.18Å; H145-R149 WeakPolarHBondContact O-CB 3.35Å; H145-R149 PolarHBondContact O-N 3.32Å; Q146-R149 PolarHBondContact O-N 3.34Å; Q147-R149 PolarHBondContact O-N 2.87Å; R149-S152 PolarHBondContact O-N 3.32Å; R149-L153 HydrophobicContact CG-CD1 4.03Å; R149-L153 WeakPolarHBondContact O-CD1 3.32Å; R149-L153 PolarHBondContact O-N 3.17Å; R149-L153 VanDerWaalsContact O-N 3.14Å
150Q76.2Confident71.1Confident110 Ų110120 Ų12051%0.51460%0.599SS.*Hα-helixtrans-62-49.4177.1-71.2179.714.900110.7Q146 Q147 S152 L153 E154Q146-Q150 PolarHBondContact O-N 2.69Å; Q146-Q150 VanDerWaalsContact O-N 3.1Å; Q147-Q150 PolarHBondContact O-N 2.95Å; Q150-S152 VanDerWaalsContact C-N 3.26Å; Q150-S152 PolarHBondContact O-N 2.97Å; Q150-L153 WeakPolarHBondContact O-CA 3.45Å; Q150-L153 WeakPolarHBondContact O-CB 3.43Å; Q150-L153 PolarHBondContact O-N 3.23Å; Q150-E154 PolarHBondContact O-N 3.45Å
151E74.2Confident69.2Low98 Ų98117.5 Ų117.546%0.45861%0.605SS.*Hα-helixtrans-60-35.5-179.1-152.7-162116.800112.5Q147 E154 R155Q147-E151 PolarHBondContact O-N 3.48Å; E151-E154 PolarHBondContact O-N 3.46Å; E151-R155 WeakPolarHBondContact O-CG 3.46Å; E151-R155 PolarHBondContact O-N 3.41Å; E151-R155 IonicContact OE1-CZ 3.34Å; E151-R155 IonicContact OE1-NE 2.69Å; E151-R155 PolarHBondContact OE1-NE 2.93Å; E151-R155 IonicContact OE1-NH2 3.62Å; E151-R155 PolarHBondContact OE1-NH2 2.91Å
152S71.4Confident67.4Low69 Ų69118.9 Ų118.948%0.48362%0.615SS.*Hα-helixtrans-70.6-33.8175-173.30000113.4Q148 R149 Q150 R156Q148-S152 WeakPolarHBondContact O-CB 3.48Å; Q148-S152 PolarHBondContact O-N 3.44Å; R149-S152 PolarHBondContact O-N 3.32Å; Q150-S152 VanDerWaalsContact C-N 3.26Å; Q150-S152 PolarHBondContact O-N 2.97Å; S152-R156 PolarHBondContact O-N 3.48Å
153L67.8Low65.7Low99 Ų99121.3 Ų121.352%0.51863%0.629SS.*Hα-helixtrans-70.1-43.2171.5-9281.7000111.2R149 Q150 R155 R156 T157R149-L153 HydrophobicContact CG-CD1 4.03Å; R149-L153 WeakPolarHBondContact O-CD1 3.32Å; R149-L153 PolarHBondContact O-N 3.17Å; R149-L153 VanDerWaalsContact O-N 3.14Å; Q150-L153 WeakPolarHBondContact O-CA 3.45Å; Q150-L153 WeakPolarHBondContact O-CB 3.43Å; Q150-L153 PolarHBondContact O-N 3.23Å; L153-R155 PolarHBondContact O-N 3.42Å; L153-R156 CarbonylContact O-C 3.47Å; L153-R156 WeakPolarHBondContact O-CA 3.17Å; L153-R156 PolarHBondContact O-N 2.95Å; L153-T157 PolarHBondContact O-N 2.99Å; L153-T157 PolarHBondContact O-OG1 2.84Å
154E65.5Low64.1Low122 Ų122123.1 Ų123.157%0.5764%0.641SS**Hα-helixtrans-61.8-43.3179.6-70.7177.3105.700111.7Q150 E151 R156 T157 S158Q150-E154 PolarHBondContact O-N 3.45Å; E151-E154 PolarHBondContact O-N 3.46Å; E154-R156 VanDerWaalsContact C-N 3.26Å; E154-R156 PolarHBondContact O-N 3.39Å; E154-T157 WeakPolarHBondContact CA-OG1 3.39Å; E154-T157 PolarHBondContact O-N 2.77Å; E154-T157 PolarHBondContact O-OG1 3.41Å; E154-S158 PolarHBondContact O-OG 2.91Å
155R62.2Low63.2Low185 Ų185121.9 Ų121.970%0.69865%0.645SS**Hα-helixtrans-62.2-28.6171.9-70.3-170.9-158.2-142.710.1113.7E151 L153E151-R155 WeakPolarHBondContact O-CG 3.46Å; E151-R155 PolarHBondContact O-N 3.41Å; E151-R155 IonicContact OE1-CZ 3.34Å; E151-R155 IonicContact OE1-NE 2.69Å; E151-R155 PolarHBondContact OE1-NE 2.93Å; E151-R155 IonicContact OE1-NH2 3.62Å; E151-R155 PolarHBondContact OE1-NH2 2.91Å; L153-R155 PolarHBondContact O-N 3.42Å
156R58.1Low61.8Low194 Ų194122.5 Ų122.573%0.73266%0.659SS**Hα-helixtrans-81.9-24.5175.6-82.6-176.665.3-133.40.3113.7S152 L153 E154 S158S152-R156 PolarHBondContact O-N 3.48Å; L153-R156 CarbonylContact O-C 3.47Å; L153-R156 WeakPolarHBondContact O-CA 3.17Å; L153-R156 PolarHBondContact O-N 2.95Å; E154-R156 VanDerWaalsContact C-N 3.26Å; E154-R156 PolarHBondContact O-N 3.39Å; R156-S158 VanDerWaalsContact C-N 3.27Å; R156-S158 PolarHBondContact O-N 3.32Å
157T56.7Low59.9Low107 Ų107120.4 Ų120.466%0.65667%0.669SS**Hα-helixtrans-77.2-9176.248.70000114.2L153 E154L153-T157 PolarHBondContact O-N 2.99Å; L153-T157 PolarHBondContact O-OG1 2.84Å; E154-T157 WeakPolarHBondContact CA-OG1 3.39Å; E154-T157 PolarHBondContact O-N 2.77Å; E154-T157 PolarHBondContact O-OG1 3.41Å
158S53.8Low58.6Low103 Ų103123 Ų12372%0.7268%0.68SS**THydrogen-bonded Turntrans-86.64.4176.7-49.90000114.9E154 R156E154-S158 PolarHBondContact O-OG 2.91Å; R156-S158 VanDerWaalsContact C-N 3.27Å; R156-S158 PolarHBondContact O-N 3.32Å
159A46.1Very low57.2Low83 Ų83122 Ų12269%0.68669%0.685SS**  trans-125.178.4-17600000112.1
160T46Very low55.5Low142 Ų142120.1 Ų120.187%0.87170%0.696SS**  trans-85.9111.9-178.7-36.70000111.6
161G44.8Very low54.2Low66 Ų66120.3 Ų120.368%0.6871%0.709SS**  trans-169.2111.6174.400000111
162P45.9Very low52.8Low121 Ų121119.9 Ų119.979%0.78672%0.722SS**  trans-97.1140-159.635.3-34.5000114.6
163I44.3Very low51.3Low172 Ų172121.7 Ų121.788%0.88274%0.742SS**  trans-135.2124.5157.1-59.4-177000108.5
164L49.9Very low50.4Low151 Ų151122.5 Ų122.579%0.79176%0.756SS**  trans-99.6-173178.2-70.6163.9000109.9
165P64.4Low49.6Very low112 Ų112120.8 Ų120.873%0.72776%0.762SS**  -121.4-135.5-80.841.4-22.5000107.4
166P50.9Low49.3Very low120 Ų120118.1 Ų118.178%0.77977%0.769SS**  cis-125.8168.2-29.235.3-17.8000114.4
167G42.4Very low49Very low73 Ų73114.9 Ų114.975%0.75377%0.771SS**  trans-179.286.2175.400000116
168H52Low48.5Very low172 Ų172115.1 Ų115.180%0.79678%0.776SS**  trans-68.5-179.6171.842.2-139.1000115
169P49.1Very low48.1Very low108 Ų108116.8 Ų116.870%0.70179%0.787SS**  -136.1-167.8-55.741.5-25.2000113.1
170S44.8Very low48.4Very low115 Ų115118.3 Ų118.380%0.80479%0.792SS**  trans75.3137166.7-52.40000116.5
171S46.9Very low49Very low115 Ų115114.4 Ų114.480%0.80478%0.78SS**  cis-166.5165.234.3-1640000113
172A46.2Very low50.2Low88 Ų88117.1 Ų117.173%0.72779%0.786SS**  trans53.199.5158.200000119.9
173A39.3Very low51.3Low108 Ų108116.8 Ų116.889%0.89378%0.784SS**  trans-88.3126.1155.900000110.4
174S48.3Very low52.6Low116 Ų116114.1 Ų114.181%0.81178%0.778SS**  trans-121.5111.7172.3-67.20000109.7
175A49.8Very low53.7Low86 Ų86112.4 Ų112.471%0.71178%0.775SS**  trans-86.5132.4174.400000110.7V177A175-V177 PolarHBondContact O-N 3.38Å
176P55.5Low54.3Low129 Ų129112.6 Ų112.684%0.83878%0.777SS**  trans-82.396.1163.631.7-29000108.9
177V51.2Low55.4Low126 Ų126112.5 Ų112.576%0.76478%0.776SS**  trans-77.2131.1166.2-75.20000110.1A175A175-V177 PolarHBondContact O-N 3.38Å
178S45.9Very low57Low111 Ų111114.3 Ų114.378%0.77677%0.774SS**  trans43.790.7150.2-53.40000117.6S180S178-S180 PolarHBondContact O-N 2.9Å
179C46Very low58.1Low139 Ų139112.1 Ų112.194%0.93978%0.776SS**  trans-6595.6159.9-67.40000110.2G181C179-G181 PolarHBondContact O-N 2.94Å
180S52.6Low59.3Low114 Ų114113.5 Ų113.580%0.79778%0.781SS**PPolyproline II helixtrans-61.7116.2163.351.40000109.2S178S178-S180 PolarHBondContact O-N 2.9Å
181G59Low60.6Low60 Ų60113.3 Ų113.362%0.61978%0.778SS**PPolyproline II helixtrans-60.3154.3172.400000111.9C179C179-G181 PolarHBondContact O-N 2.94Å
182P69.3Low61.9Low124 Ų124113.4 Ų113.481%0.80578%0.775SS**PPolyproline II helixtrans-62.3147.8178.927.6-34.9000111
183P70.1Confident63Low114 Ų114114.3 Ų114.374%0.7477%0.774SS**PPolyproline II helixtrans-63.1150.9175.628.2-35000110.9
184P71.2Confident64.5Low116 Ų116115.4 Ų115.475%0.75377%0.772SS**PPolyproline II helixtrans-62.4147.8175.227.6-34.7000110.8
185P73.5Confident65.1Low115 Ų115116.3 Ų116.375%0.74777%0.773SS**PPolyproline II helixtrans-63.7150.4176.827.9-34.9000111.1
186P76Confident64.9Low116 Ų116116 Ų11675%0.75378%0.778SS**PPolyproline II helixtrans-62.9149.517727.5-34.9000111.2
187P74.1Confident64.6Low117 Ų117114.4 Ų114.476%0.7678%0.776SS**PPolyproline II helixtrans-62.9147.4176.527.6-34.7000111
188P75.6Confident65Low111 Ų111114.4 Ų114.472%0.72178%0.776SS**PPolyproline II helixtrans-64.2152.7177.727.9-35000111.1V190P188-V190 PolarHBondContact O-N 2.83Å
189P75.5Confident65.7Low127 Ų127114.6 Ų114.683%0.82578%0.775SS**PPolyproline II helixtrans-56.3131.2176.8-23.433.4000111.5
190V73.9Confident66.5Low136 Ų136113.4 Ų113.482%0.82477%0.765SS**PPolyproline II helixtrans-62.2130.3170.7-92.40000109.6P188P188-V190 PolarHBondContact O-N 2.83Å
191P73Confident67.3Low112 Ų112113.5 Ų113.573%0.72776%0.763SS**PPolyproline II helixtrans-63.8145.6175.427.1-33.7000110.1
192P74.8Confident67.7Low116 Ų116116.1 Ų116.175%0.75377%0.769SS**PPolyproline II helixtrans-62.2149.6-179.726.9-34.8000110.9
193P69.2Low67.6Low108 Ų108115.6 Ų115.670%0.70177%0.766SS**PPolyproline II helixtrans-60.3143.117227.9-34.5000109.4T195P193-T195 PolarHBondContact O-N 2.84Å
194P70Confident67.6Low131 Ų131116.3 Ų116.385%0.85177%0.77SS**  trans-62.8108.5174.625.9-32.7000109G196P194-G196 PolarHBondContact O-N 2.96Å
195T61Low67.5Low135 Ų135118.5 Ų118.583%0.82878%0.775SS**  trans-58.7130.1168.135.50000108.3P193 A197P193-T195 PolarHBondContact O-N 2.84Å; T195-A197 PolarHBondContact O-N 2.91Å
196G44.8Very low66.8Low79 Ų79119 Ų11981%0.81478%0.778SS**  trans-59.5107.7-167.900000112.4P194 T198P194-G196 PolarHBondContact O-N 2.96Å; G196-T198 PolarHBondContact O-N 3.36Å
197A49.2Very low65.8Low96 Ų96118.3 Ų118.379%0.79378%0.782SS**  trans-67.1114.2163.700000108T195T195-A197 PolarHBondContact O-N 2.91Å
198T60.7Low64.4Low125 Ų125116.6 Ų116.677%0.76779%0.786SS**PPolyproline II helixtrans-58.7143.6167.942.20000109.4G196G196-T198 PolarHBondContact O-N 3.36Å
199P60.9Low62.7Low115 Ų115115.2 Ų115.275%0.74779%0.791SS**PPolyproline II helixtrans-62.3141.7177.926.4-33.9000110
200P62.7Low61.1Low115 Ų115113.3 Ų113.375%0.74779%0.786SS**PPolyproline II helixtrans-62.4145.4175.427.3-34.4000110.2
201P69.9Low59.6Low116 Ų116116.4 Ų116.475%0.75379%0.792SS**PPolyproline II helixtrans-62.9146.6177.827-34.4000110.9
202P66.4Low58.1Low115 Ų115114.5 Ų114.575%0.74779%0.792SS**PPolyproline II helixtrans-65.1147177.728.1-34.6000111.1
203P66.9Low56.7Low113 Ų113114.1 Ų114.173%0.73479%0.793SS**PPolyproline II helixtrans-65.3146.9175.428.4-34.6000110.9
204P70.4Confident55.5Low128 Ų128114.5 Ų114.583%0.83180%0.798SS**PPolyproline II helixtrans-65.1138.8179.127.3-34.2000111.2
205L70Confident54.4Low163 Ų163116.4 Ų116.485%0.85380%0.795SS**PPolyproline II helixtrans-69.9137.3174.5-69.7164000110.1A207L205-A207 PolarHBondContact O-N 3.18Å
206P57.6Low53.6Low125 Ų125116.3 Ų116.381%0.81279%0.789SS**PPolyproline II helixtrans-68.7121.2175.227.8-32.9000110.2G208P206-G208 PolarHBondContact O-N 3.43Å
207A55.3Low53.6Low102 Ų102119.8 Ų119.884%0.84378%0.784SS**PPolyproline II helixtrans-69.7118.4176.900000110.6L205 G209L205-A207 PolarHBondContact O-N 3.18Å; A207-G209 PolarHBondContact O-N 2.86Å
208G44.3Very low53.2Low81 Ų81119.4 Ų119.484%0.83578%0.776SS**PPolyproline II helixtrans-72.1122.7175.900000111.4P206P206-G208 PolarHBondContact O-N 3.43Å
209G40.3Very low52.6Low81 Ų81118.6 Ų118.684%0.83578%0.775SS**PPolyproline II helixtrans-68.6167.4-165.500000118.3A207A207-G209 PolarHBondContact O-N 2.86Å
210A41.1Very low52.2Low87 Ų87121.2 Ų121.272%0.71978%0.78SS**  trans-149.9128.1156.200000109.9
211Q43.1Very low51.7Low202 Ų202121.8 Ų121.894%0.94479%0.787SS**  trans64.1136.2161.7-57.3174.3-76.200119.3
212G42Very low50.8Low71 Ų71118.8 Ų118.873%0.73278%0.777SS**  trans138.873.3159.900000117.2
213S44.1Very low50.3Low109 Ų109120.1 Ų120.176%0.76278%0.777SS**  trans19131.5148.754.40000122.6
214S45Very low49.6Very low116 Ų116118.7 Ų118.781%0.81178%0.775SS**  trans76.7133.4135.262.30000122.8
215H47Very low49Very low171 Ų171116.6 Ų116.679%0.79277%0.768SS**  trans10782.7144.2-150.9-70.6000119.5
216D44.3Very low48.3Very low132 Ų132112.8 Ų112.871%0.70676%0.76SS**  50.6138.6125.1-143.1-126.5000123.8
217E44.3Very low48.4Very low152 Ų152112.4 Ų112.471%0.7175%0.75SS**  trans80.9131.4155.4-109.4-62.18900122.8
218S41.6Very low48.7Very low88 Ų88111.9 Ų111.962%0.61575%0.745SS**  trans84128.5151.2-103.50000122.5
219S46.7Very low49.5Very low108 Ų108111.3 Ų111.376%0.75574%0.739SS**  trans87.9102.1155.5-66.40000121.5
220M54.1Low50.1Low171 Ų171111.2 Ų111.284%0.84273%0.731SS**  85.564.4129-14685.68000119.8G222M220-G222 PolarHBondContact O-N 2.82Å
221S51.1Low50.9Low127 Ų127116.6 Ų116.689%0.88874%0.738SS**  2786.9128.1-55.70000119
222G50.9Low51.6Low53 Ų53115.5 Ų115.555%0.54674%0.738SS.*  trans-95.5126165.700000113.1M220 A224 A225M220-G222 PolarHBondContact O-N 2.82Å; G222-A224 PolarHBondContact O-N 2.84Å; G222-A225 PolarHBondContact O-N 3.17Å; G222-A225 VanDerWaalsContact O-N 3.08Å
223L56.4Low52.8Low143 Ų143122.5 Ų122.575%0.74974%0.742SS**THydrogen-bonded Turntrans-49.3-23.4176.9-170.4109.6000114.2A225 A226 I227L223-A225 PolarHBondContact O-N 2.87Å; L223-A226 WeakPolarHBondContact O-CB 3.28Å; L223-A226 PolarHBondContact O-N 2.9Å; L223-I227 HydrophobicContact CD2-CD1 4.26Å
224A51.5Low53.1Low83 Ų83128.8 Ų128.869%0.68675%0.749SS**Hα-helixtrans-53.5-33.1174.900000114G222 A226G222-A224 PolarHBondContact O-N 2.84Å; A224-A226 VanDerWaalsContact C-N 3.3Å; A224-A226 PolarHBondContact O-N 2.84Å
225A58.1Low53.3Low84 Ų84129 Ų12969%0.69475%0.745SS**Hα-helixtrans-67.3-28.8177.100000113.1G222 L223 I227G222-A225 PolarHBondContact O-N 3.17Å; G222-A225 VanDerWaalsContact O-N 3.08Å; L223-A225 PolarHBondContact O-N 2.87Å; A225-I227 PolarHBondContact O-N 2.83Å
226A56.1Low53.1Low82 Ų82129.2 Ų129.268%0.67875%0.747SS**Hα-helixtrans-75.7-21.2-176.300000113.8L223 A224L223-A226 WeakPolarHBondContact O-CB 3.28Å; L223-A226 PolarHBondContact O-N 2.9Å; A224-A226 VanDerWaalsContact C-N 3.3Å; A224-A226 PolarHBondContact O-N 2.84Å
227I60Low53.3Low118 Ų118133.7 Ų133.761%0.60575%0.754SS**Hα-helixtrans-94-23.4-175.8-54.7179.7000111.6L223 A225 G229 A230L223-I227 HydrophobicContact CD2-CD1 4.26Å; A225-I227 PolarHBondContact O-N 2.83Å; I227-G229 PolarHBondContact O-N 3.38Å; I227-G229 VanDerWaalsContact O-N 3.09Å; I227-A230 PolarHBondContact O-N 3.04Å
228A60.8Low53.9Low90 Ų90132 Ų13274%0.74476%0.756SS**THydrogen-bonded Turntrans-63-17-177.600000115
229G61.8Low53.9Low69 Ų69136.2 Ų136.271%0.71177%0.766SS**THydrogen-bonded Turntrans-89.5-9.7-178.900000116.3I227 K231I227-G229 PolarHBondContact O-N 3.38Å; I227-G229 VanDerWaalsContact O-N 3.09Å; G229-K231 VanDerWaalsContact C-N 3.34Å; G229-K231 PolarHBondContact O-N 3.49Å
230A52.1Low53.9Low80 Ų80139 Ų13966%0.66177%0.772SS**  trans-82.261.7-165.400000115I227 L232I227-A230 PolarHBondContact O-N 3.04Å; A230-L232 PolarHBondContact O-N 2.9Å
231K58.4Low53.5Low200 Ų200135.1 Ų135.187%0.8777%0.767SS**  trans-85.395172.2-68.1-179.670.6176.20111.5G229 R233G229-K231 VanDerWaalsContact C-N 3.34Å; G229-K231 PolarHBondContact O-N 3.49Å; K231-R233 PolarHBondContact O-N 3.02Å
232L57.9Low53.3Low178 Ų178135 Ų13593%0.93277%0.766SS**  trans-72.1110.6172.6-70.8175.5000111.3A230A230-L232 PolarHBondContact O-N 2.9Å
233R67.7Low53.1Low218 Ų218136.7 Ų136.782%0.82378%0.784SS**PPolyproline II helixtrans-65.5136.9172.953.1-172.4160.6831.5111.7K231 V235K231-R233 PolarHBondContact O-N 3.02Å; R233-V235 PolarHBondContact O-N 3.17Å
234R50.2Low52.6Low242 Ų242133.2 Ų133.291%0.91378%0.782SS**PPolyproline II helixtrans-66.8116.5177.6-175.8134.2173.177.6-2.1110Q236R234-Q236 PolarHBondContact O-N 3.39Å
235V48.4Very low52.3Low119 Ų119135.3 Ų135.372%0.72179%0.792SS**PPolyproline II helixtrans-76118.7174.1176.80000109.2R233R233-V235 PolarHBondContact O-N 3.17Å
236Q43.7Very low51.8Low177 Ų177136.8 Ų136.883%0.82780%0.797SS**PPolyproline II helixtrans-79.9127.8169.4-173.9166.2-15.100108.1R234 P238R234-Q236 PolarHBondContact O-N 3.39Å; Q236-P238 WeakPolarHBondContact O-CD 3.34Å
237R48.3Very low51.9Low226 Ų226138.5 Ų138.585%0.85380%0.801SS**PPolyproline II helixtrans-81.6122.6177.3178.1177.8-71.4-176.9-3.6108.2
238P56.3Low51.3Low117 Ų117138.4 Ų138.476%0.7681%0.811SS**PPolyproline II helixtrans-69.3155.2172.9-17.632.4000111.8Q236Q236-P238 WeakPolarHBondContact O-CD 3.34Å
239E42.5Very low50.6Low176 Ų176136.7 Ų136.782%0.82280%0.802SS**  trans-104.2166.5178.1-48.9-175.5116.400108.4
240D46.8Very low50Low167 Ų167140 Ų14089%0.89381%0.809SS**  trans76.8156.4174.1-62.4-54.4000121.3
241A45.3Very low50Low88 Ų88141.9 Ų141.973%0.72782%0.817SS**  trans85.283.1171.900000120.5
242S46.5Very low49.5Very low125 Ų125141.8 Ų141.887%0.87482%0.816SS**  74.3111.3121-55.80000123
243G46.1Very low49.3Very low89 Ų89139.1 Ų139.192%0.91881%0.813SS**  trans86.7139.7152.200000116.4
244G45.7Very low48.1Very low69 Ų69136.3 Ų136.371%0.71181%0.814SS**  cis175.1164.5-500000111.5
245S45.5Very low48.3Very low128 Ų128129.2 Ų129.290%0.89581%0.807SS**  trans81.4116.2169.8-52.10000119.1
246S47.2Very low48Very low115 Ų115130.1 Ų130.180%0.80481%0.808SS**  trans-98.7-149.8172.7-32.50000109.8
247P59.2Low48.1Very low118 Ų118131.9 Ų131.977%0.76681%0.807SS**  cis-113.7-157.8-2.644.9-29.9000111.1
248S47.9Very low47.7Very low116 Ų116125.7 Ų125.781%0.81180%0.804SS**  cis-160.7166.7-5.8220000106.8
249G45.7Very low47.1Very low53 Ų53125.8 Ų125.855%0.54681%0.808SS.*  cis-155155.9-2.200000109.3
250T48.4Very low47.2Very low140 Ų140123.3 Ų123.386%0.85981%0.81SS**  57.3124.494.764.30000114.1
251S52.8Low46.9Very low119 Ų119119 Ų11983%0.83281%0.805SS**  cis-148.4158.736.1-65.50000115.1
252K47.9Very low46.7Very low197 Ų197119.1 Ų119.186%0.85782%0.815SS**  trans-92.9159.1171.4-72.4177.9171.7-179.40111.8
253S53.1Low46.7Very low122 Ų122116.9 Ų116.985%0.85381%0.812SS**  trans-154.1102.9149.754.60000111.4
254D42.4Very low47Very low159 Ų159116.5 Ų116.585%0.8581%0.808SS**  trans-87.6128.4164.8-95.3-73.5000109.5
255A54.1Low47.2Very low93 Ų93116.2 Ų116.277%0.76980%0.804SS**  trans-151.485.1173.400000112.3
256N43.2Very low48.5Very low139 Ų139112.1 Ų112.174%0.74378%0.782SS**  trans17.2134.9131.9-161.810.4000119.4
257R45.3Very low50.3Low214 Ų214113.9 Ų113.981%0.80878%0.782SS**  trans103.5122.5155.1-58.1-174.3169.6162.9-4.3119.5
258A39.9Very low51.6Low95 Ų95116.3 Ų116.379%0.78579%0.785SS**  trans68.9117.213700000120.6
259S44Very low53.6Low120 Ų120116.9 Ų116.984%0.83978%0.775SS**  40.6133.4126.7-160.40000120.5
260S43.4Very low55.5Low123 Ų123120.9 Ų120.986%0.8678%0.78SS**  trans77.271.2163.6-172.80000117.6
261G41.8Very low57.5Low78 Ų78119.6 Ų119.680%0.80477%0.765SS**  trans-147.6138.3150.800000108.1
262G41.4Very low59.2Low90 Ų90119 Ų11993%0.92875%0.753SS**  cis99.872.123.800000109.2
263G46.7Very low61.3Low78 Ų78117.5 Ų117.580%0.80475%0.746SS**  trans-166.6105.7-173.500000114.8
264G51Low63.1Low81 Ų81115.5 Ų115.584%0.83573%0.725SS**  trans54.173149.400000118.4G266G264-G266 PolarHBondContact O-N 2.76Å
265G50.6Low65.5Low62 Ų62111.9 Ų111.964%0.63971%0.706SS**  trans-60.8123.1162.600000110.6
266G72.1Confident67.3Low42 Ų42110 Ų11043%0.43369%0.69SS.*  trans-76.7161.218000000112.8G264 M268 E269 E270G264-G266 PolarHBondContact O-N 2.76Å; G266-M268 PolarHBondContact O-N 3.47Å; G266-E269 WeakPolarHBondContact O-CB 3.39Å; G266-E269 PolarHBondContact O-N 3.07Å; G266-E270 PolarHBondContact O-N 3.05Å
267L85Confident69.6Low153 Ų153111 Ų11180%0.80169%0.687SS**Hα-helixtrans-49.6-34.3-179.4-151.588.4000113.6E270 M271L267-E270 PolarHBondContact O-N 3.16Å; L267-M271 WeakPolarHBondContact O-CB 3.22Å; L267-M271 PolarHBondContact O-N 3.35Å
268M87.7Confident71.7Confident169 Ų169108.8 Ų108.883%0.83368%0.679SS**Hα-helixtrans-66.3-34.5177.9-170.3173.3-175.100113G266 N272G266-M268 PolarHBondContact O-N 3.47Å; M268-N272 WeakPolarHBondContact O-CB 3.31Å; M268-N272 PolarHBondContact O-N 3.1Å
269E89.2Confident74.1Confident127 Ų127114.1 Ų114.159%0.59368%0.679SS**Hα-helixtrans-76.2-38.9178.1-167.2171.5-162.500111G266 N272 K273G266-E269 WeakPolarHBondContact O-CB 3.39Å; G266-E269 PolarHBondContact O-N 3.07Å; E269-N272 PolarHBondContact O-N 3.05Å; E269-K273 VanDerWaalsContact O-CB 3.26Å; E269-K273 WeakPolarHBondContact O-CB 3.16Å; E269-K273 PolarHBondContact O-N 3Å
270E86.1Confident75.7Confident138 Ų138116.1 Ų116.165%0.64567%0.673SS**Hα-helixtrans-61.2-44.3171.4-162.2-168.5138.900111.4G266 L267 K273 L274G266-E270 PolarHBondContact O-N 3.05Å; L267-E270 PolarHBondContact O-N 3.16Å; E270-K273 WeakPolarHBondContact O-CB 3.33Å; E270-K273 PolarHBondContact O-N 3.48Å; E270-L274 WeakPolarHBondContact O-CB 3.46Å; E270-L274 PolarHBondContact O-N 3.4Å
271M89.5Confident77Confident112 Ų112113.6 Ų113.655%0.55266%0.659SS**Hα-helixtrans-63.6-42.4177.1-160.7-76.8-178.300111.9L267 L274 L275L267-M271 WeakPolarHBondContact O-CB 3.22Å; L267-M271 PolarHBondContact O-N 3.35Å; M271-L274 PolarHBondContact O-N 2.86Å; M271-L275 HydrophobicContact CE-CD1 3.98Å; M271-L275 HydrophobicContact CE-CG 4.17Å; M271-L275 PolarHBondContact O-N 3.02Å; M271-L275 HydrophobicContact SD-CD1 3.44Å; M271-L275 WeakPolarHBondContact SD-CD1 3.42Å; M271-L275 HydrophobicContact SD-CG 3.78Å
272N89.2Confident78.1Confident108 Ų108113.8 Ų113.858%0.57865%0.653SS**Hα-helixtrans-63.8-40.5174.3-168.727.8000111.9M268 E269 L274 L275 A276M268-N272 WeakPolarHBondContact O-CB 3.31Å; M268-N272 PolarHBondContact O-N 3.1Å; E269-N272 PolarHBondContact O-N 3.05Å; N272-L274 VanDerWaalsContact C-N 3.34Å; N272-L274 PolarHBondContact O-N 2.92Å; N272-L275 PolarHBondContact O-N 2.75Å; N272-A276 WeakPolarHBondContact O-CB 3.13Å; N272-A276 PolarHBondContact O-N 2.93Å
273K91.3Very high79.1Confident165 Ų165113.8 Ų113.872%0.71764%0.639SS**Hα-helixtrans-65.2-37175.7-156.7172.3-168.9173.90111.6E269 E270 K277E269-K273 VanDerWaalsContact O-CB 3.26Å; E269-K273 WeakPolarHBondContact O-CB 3.16Å; E269-K273 PolarHBondContact O-N 3Å; E270-K273 WeakPolarHBondContact O-CB 3.33Å; E270-K273 PolarHBondContact O-N 3.48Å; K273-K277 WeakPolarHBondContact O-CB 3.34Å; K273-K277 PolarHBondContact O-N 3.42Å
274L92.4Very high79.7Confident80 Ų80118.5 Ų118.542%0.41964%0.64SS.*Hα-helixtrans-69.1-41.3174.2-172.765.9000112.2E270 M271 N272 K277 R278E270-L274 WeakPolarHBondContact O-CB 3.46Å; E270-L274 PolarHBondContact O-N 3.4Å; M271-L274 PolarHBondContact O-N 2.86Å; N272-L274 VanDerWaalsContact C-N 3.34Å; N272-L274 PolarHBondContact O-N 2.92Å; L274-K277 PolarHBondContact O-N 3.31Å; L274-R278 PolarHBondContact O-N 3.37Å
275L92.7Very high79.9Confident83 Ų83119.2 Ų119.244%0.43563%0.632SS.*Hα-helixtrans-61.6-46172.2-81174.6000111.7M271 N272 K277 R278 R279M271-L275 HydrophobicContact CE-CD1 3.98Å; M271-L275 HydrophobicContact CE-CG 4.17Å; M271-L275 PolarHBondContact O-N 3.02Å; M271-L275 HydrophobicContact SD-CD1 3.44Å; M271-L275 WeakPolarHBondContact SD-CD1 3.42Å; M271-L275 HydrophobicContact SD-CG 3.78Å; N272-L275 PolarHBondContact O-N 2.75Å; L275-K277 VanDerWaalsContact C-N 3.34Å; L275-K277 PolarHBondContact O-N 3Å; L275-R278 PolarHBondContact O-N 2.85Å; L275-R279 PolarHBondContact O-N 3.48Å
276A90.4Very high79.7Confident53 Ų53124.1 Ų124.144%0.43864%0.644SS.*Hα-helixtrans-61.6-41.3176.200000111.8N272 R279 K280N272-A276 WeakPolarHBondContact O-CB 3.13Å; N272-A276 PolarHBondContact O-N 2.93Å; A276-R279 PolarHBondContact O-N 2.97Å; A276-K280 PolarHBondContact O-N 3.2Å
277K92.4Very high78.5Confident159 Ų159131.2 Ų131.269%0.69166%0.663SS**Hα-helixtrans-64-42.6174.9-172.8169.8178.8176.50112K273 L274 L275 K280 A281K273-K277 WeakPolarHBondContact O-CB 3.34Å; K273-K277 PolarHBondContact O-N 3.42Å; L274-K277 PolarHBondContact O-N 3.31Å; L275-K277 VanDerWaalsContact C-N 3.34Å; L275-K277 PolarHBondContact O-N 3Å; K277-K280 PolarHBondContact O-N 3.14Å; K277-A281 WeakPolarHBondContact O-CB 3.44Å; K277-A281 PolarHBondContact O-N 2.82Å
278R89.8Confident76.4Confident168 Ų168128.9 Ų128.963%0.63466%0.657SS**Hα-helixtrans-63.2-41.2173.8-79-171.9173.8126-2.7112.4L274 L275 K280 A281 A282L274-R278 PolarHBondContact O-N 3.37Å; L275-R278 PolarHBondContact O-N 2.85Å; R278-K280 PolarHBondContact O-N 3.16Å; R278-A281 PolarHBondContact O-N 2.87Å; R278-A282 WeakPolarHBondContact O-CB 3.46Å; R278-A282 PolarHBondContact O-N 2.88Å
279R88.5Confident74.1Confident207 Ų207125.2 Ų125.278%0.78165%0.653SS**Hα-helixtrans-61.7-40.6175-79.9-168.8178.1-156.20.9112.9L275 A276 S283L275-R279 PolarHBondContact O-N 3.48Å; A276-R279 PolarHBondContact O-N 2.97Å; R279-S283 PolarHBondContact O-OG 2.86Å; R279-S283 VanDerWaalsContact O-OG 3.07Å
280K77.9Confident71.9Confident163 Ų163126.5 Ų126.571%0.70966%0.659SS**Hα-helixtrans-72.6-34.5176.3-73.7-155.8175-167.10113.5A276 K277 R278 S283A276-K280 PolarHBondContact O-N 3.2Å; K277-K280 PolarHBondContact O-N 3.14Å; R278-K280 PolarHBondContact O-N 3.16Å; K280-S283 PolarHBondContact O-N 3.46Å; K280-S283 PolarHBondContact O-OG 2.84Å
281A71.3Confident69.9Low70 Ų70128 Ų12858%0.57966%0.664SS**Hα-helixtrans-67.1-37.1174.700000112.1K277 R278 S283K277-A281 WeakPolarHBondContact O-CB 3.44Å; K277-A281 PolarHBondContact O-N 2.82Å; R278-A281 PolarHBondContact O-N 2.87Å; A281-S283 VanDerWaalsContact C-N 3.26Å; A281-S283 PolarHBondContact O-N 3.09Å
282A66.1Low67.9Low81 Ų81131.2 Ų131.267%0.66967%0.674SS**THydrogen-bonded Turntrans-75.5-5.8178.700000114.7R278R278-A282 WeakPolarHBondContact O-CB 3.46Å; R278-A282 PolarHBondContact O-N 2.88Å
283S61.5Low65.7Low90 Ų90133 Ų13363%0.62968%0.68SS**THydrogen-bonded Turntrans-115.811.5-179.157.20000114.6R279 K280 A281R279-S283 PolarHBondContact O-OG 2.86Å; R279-S283 VanDerWaalsContact O-OG 3.07Å; K280-S283 PolarHBondContact O-N 3.46Å; K280-S283 PolarHBondContact O-OG 2.84Å; A281-S283 VanDerWaalsContact C-N 3.26Å; A281-S283 PolarHBondContact O-N 3.09Å
284Q60.2Low63.6Low178 Ų178132.2 Ų132.283%0.83268%0.683SS**SBendtrans-109.112.4175.1-80.1-163.4-27.800114.6
285S54.7Low61.3Low96 Ų96136 Ų13667%0.67170%0.698SS**  trans-118.754.6-18064.20000113
286D45.6Very low59Low165 Ų165137 Ų13788%0.88271%0.712SS**  trans-150.5139.6159.4-118.8-52.4000111
287K46.2Very low57Low190 Ų190142.6 Ų142.683%0.82673%0.729SS**  trans-169.4149.9-157.6175.6-174.4176.1-174.50109.2
288P42.2Very low55.1Low105 Ų105142 Ų14268%0.68273%0.731SS**  cis-129.8177.9-16.837.4-19.7000114.9
289A38.7Very low53.1Low91 Ų91141.8 Ų141.875%0.75274%0.737SS**  trans35.8125.4143.400000122.8
290E42.4Very low51Low155 Ų155139 Ų13972%0.72474%0.738SS**  -168.7130.1117.5-88.6-140108.500113.2
291K44.6Very low49.8Very low170 Ų170136.1 Ų136.174%0.73974%0.736SS**  trans49.5150.4142.1-66.4172.9-178.91460124.8
292K47.2Very low48.5Very low178 Ų178138.5 Ų138.577%0.77475%0.748SS**  trans76.1143.8164.5-66.1-147.2162.7-153.10117.8
293E44.4Very low47.4Very low147 Ų147141.4 Ų141.469%0.68776%0.757SS**  cis161.7166.5-19.6-102.8161.7-173.500104.8
294D46.5Very low46.6Very low147 Ų147142.4 Ų142.479%0.78676%0.764SS**  trans69.2144.5-178.3-78.2-146.5000119.1
295E44.6Very low46.2Very low159 Ų159139 Ų13974%0.74376%0.758SS**  cis-165.8126-25.1-175.9172.474.900110
296S44.7Very low45.3Very low104 Ų104139.8 Ų139.873%0.72776%0.764SS**  trans60.9159.3158.780.30000119.5
297Q48.4Very low45.3Very low171 Ų171138.1 Ų138.180%0.79976%0.762SS**  cis-158154.7-7.3-140.5177.210.500111.1
298M51.3Low45.3Very low147 Ų147132.4 Ų132.472%0.72476%0.757SS**  trans74.2111.8145.1-137.872.7-172.700122
299E47.5Very low45.4Very low164 Ų164134 Ų13477%0.76677%0.765SS**  trans22.2152.2133.4-27.1-57.384.300121.2
300D45.6Very low45.5Very low149 Ų149141.4 Ų141.480%0.79777%0.773SS**  cis-169.4156.5-13.6174.7-97.1000107.2
301P51.2Low45.5Very low102 Ų102138.3 Ų138.366%0.66277%0.774SS**  trans-112.1129.6-163.937.4-27.1000117.8
302S44.2Very low45.4Very low119 Ų119134.7 Ų134.783%0.83278%0.776SS**  trans-171.5133.6147.9-83.20000109.7
303T44.1Very low45.3Very low142 Ų142132.5 Ų132.587%0.87178%0.783SS**  -175.416281.1-59.30000110.2
304S45.1Very low45.3Very low111 Ų111134.7 Ų134.778%0.77679%0.793SS**  trans-82.7-174.6-171.7-125.30000114.9
305P50Low45.4Very low107 Ų107133 Ų13370%0.69579%0.79SS**  -130166-127.238.1-17.9000118.7
306S36.7Very low45.4Very low113 Ų113130.8 Ų130.879%0.7979%0.789SS**  trans64.5169.8150.7-65.90000120
307P46.5Very low45Very low129 Ų129134.1 Ų134.184%0.83880%0.799SS**  cis-131.9173.1-44.937.6-22.2000113.5
308G45.9Very low44.8Very low70 Ų70129.8 Ų129.872%0.72279%0.788SS**  trans-170.696.6175.800000120.5
309T43.5Very low44.4Very low139 Ų139128 Ų12885%0.85379%0.79SS**  trans55.7144.813956.40000125.6
310R41.2Very low43.8Very low247 Ų247129.8 Ų129.893%0.93280%0.798SS**  trans76145.4164.9-69.7178.9158.6174.7-6.5118.4
311A41.6Very low43.6Very low89 Ų89127.6 Ų127.674%0.73680%0.8SS**  cis-164.8146.9-22.300000111.8
312A43.3Very low43.1Very low95 Ų95126.2 Ų126.279%0.78581%0.805SS**  trans42.4102.6152.500000121.8
313S44.2Very low43.4Very low131 Ų131132.2 Ų132.292%0.91681%0.809SS**  -169.5165.2119.924.50000111.5
314Q45.2Very low43.8Very low193 Ų193133.6 Ų133.690%0.90280%0.803SS**PPolyproline II helixtrans-81.7171.6-161.1-99.9-176.6-50.200115.5
315P47.8Very low44Very low113 Ų113134.9 Ų134.973%0.73481%0.809SS**PPolyproline II helixtrans-90.3162.1-138.936.2-39.2000116.1
316P45.3Very low44.8Very low111 Ų111140 Ų14072%0.72181%0.814SS**PPolyproline II helixtrans-85.6157.1176.136.7-35.7000112.5
317N37.4Very low45.3Very low174 Ų174142.7 Ų142.793%0.9382%0.815SS**  trans-118.2103.1157.8-168.824.9000108.1
318S42.9Very low45.2Very low81 Ų81147.8 Ų147.857%0.56682%0.817SS**  trans-114141.9-167.6-57.70000112.8
319S42.2Very low45Very low109 Ų109149.2 Ų149.276%0.76282%0.816SS**  trans60.9116.2143.554.50000120A321S319-A321 PolarHBondContact O-N 3.02Å
320E36.1Very low44.8Very low202 Ų202150.9 Ų150.994%0.94482%0.82SS**  trans-46.9123.4141.7-64.5169.764.100111.8
321A41.7Very low45.1Very low102 Ų102144 Ų14484%0.84381%0.81SS**  trans-174.9103.1149.400000109.9S319S319-A321 PolarHBondContact O-N 3.02Å
322G41.1Very low45.2Very low73 Ų73145.8 Ų145.875%0.75381%0.811SS**  trans-168.942.9-174.500000115.4K324G322-K324 PolarHBondContact O-N 2.79Å
323R49.5Very low45.3Very low246 Ų246147 Ų14793%0.92880%0.801SS**  trans-62.1123.4-177.9-66.9179.5177.6-87.7-1.8111.6
324K52.9Low45.2Very low171 Ų171148.9 Ų148.974%0.74379%0.792SS**  trans-96125.9164.8-79.3-176.31741790109.8G322 W326G322-K324 PolarHBondContact O-N 2.79Å; K324-W326 VanDerWaalsContact C-N 3.32Å; K324-W326 PolarHBondContact O-N 2.86Å
325P49.2Very low45.1Very low138 Ų138145.8 Ų145.890%0.89679%0.789SS**THydrogen-bonded Turntrans-77.116.9-167.2-20.734.8000119
326W67.4Low45.1Very low213 Ų213146.9 Ų146.981%0.80779%0.793SS**THydrogen-bonded Turntrans-112.44.1-167.473.5-79.3000116.4K324K324-W326 VanDerWaalsContact C-N 3.32Å; K324-W326 PolarHBondContact O-N 2.86Å
327E46.5Very low44.9Very low171 Ų171147.3 Ų147.380%0.79980%0.798SS**  trans-97105.3167.5-72.2-162.4116.500111.5
328R43.3Very low45.4Very low236 Ų236144.7 Ų144.789%0.89179%0.794SS**  trans-163.9124.9143.3-113.9169-174-177.4-0.1112.9
329S43.4Very low45.5Very low100 Ų100148.2 Ų148.270%0.69981%0.805SS**  trans64.3119.6147.9-51.30000119.1
330N39.5Very low45.8Very low174 Ų174150.9 Ų150.993%0.9381%0.81SS**  -150.9132.6106.7-96.5-37000110.9
331S46.6Very low46Very low103 Ų103146.2 Ų146.272%0.7280%0.799SS**  trans-133.2119.4-178.5171.90000108.6
332V43.8Very low46.3Very low126 Ų126152.7 Ų152.776%0.76480%0.802SS**  trans62.5165157.689.30000118.4
333E45.5Very low46.2Very low121 Ų121155.5 Ų155.557%0.56581%0.805SS**  trans82.296.1-178.9-53.5-53.49200120.2
334K42.7Very low46.6Very low170 Ų170150.1 Ų150.174%0.73980%0.802SS**  60.1135.1128.1-66.5167-177.71440121.4
335P43.2Very low46.2Very low127 Ų127147.8 Ų147.883%0.82581%0.807SS**  trans-83.5142.3174.435-33.4000112.2
336V47Very low46Very low137 Ų137147.5 Ų147.583%0.8380%0.802SS**  trans-127.8127.6161.1-71.40000110
337S41.8Very low45.1Very low119 Ų119142.1 Ų142.183%0.83280%0.803SS**  trans-64.6139.7173.9-49.30000110.4
338S46.7Very low45.1Very low120 Ų120143.8 Ų143.884%0.83981%0.808SS**  trans-141.3131.5161-94.80000112
339I46.6Very low45Very low154 Ų154137.9 Ų137.979%0.7980%0.803SS**  trans-86131.4-172.3-64.6150.5000108.5
340L47.3Very low45.2Very low166 Ų166139.1 Ų139.187%0.86981%0.808SS**  trans-141.274.6167.5-99.7159.2000110.2
341S40.5Very low45Very low103 Ų103139.5 Ų139.572%0.7281%0.805SS**  trans-85.6129.8165.1-53.10000109.5
342R47.5Very low45.1Very low238 Ų238139.6 Ų139.690%0.89881%0.811SS**  trans-141.7103.6163.6-101.9-173-177.4-119.20.3111.2
343T39.5Very low45.2Very low132 Ų132143.1 Ų143.181%0.8182%0.816SS**  trans-117.3143.9157.647.20000108
344P59.1Low45.3Very low134 Ų134142.6 Ų142.687%0.8783%0.826SS**  trans-87.1153.7174.333.1-32000112.6
345S44.3Very low45.5Very low121 Ų121139.3 Ų139.385%0.84682%0.822SS**  trans-80.1149.2-164.7-60.40000117.5
346V44Very low45.6Very low133 Ų133140.2 Ų140.281%0.80682%0.82SS**  trans-17.7136143.1171.20000117.2
347A48.7Very low45.4Very low100 Ų100141.4 Ų141.483%0.82682%0.816SS**  trans-146.6160143.100000110.2
348K46.6Very low45.5Very low205 Ų205140.8 Ų140.889%0.89181%0.811SS**  trans-98.1157.5-159.7-70.3173.8171.9177.10116.2
349S40.3Very low45.3Very low113 Ų113144 Ų14479%0.7981%0.814SS**  trans-39.6166.1156.1-100.20000116.1
350P47.4Very low45.4Very low125 Ų125141 Ų14181%0.81280%0.804SS**  cis-145.7-172.942.341-19000119.1
351E37Very low45.5Very low183 Ų183142.6 Ų142.686%0.85581%0.806SS**  trans-63.4152.7-173.7-62.4163.655.600117.9
352A48.5Very low45.8Very low104 Ų104143.5 Ų143.586%0.8681%0.812SS**  trans-156.4162.8142.700000111.1
353K45.5Very low45.6Very low200 Ų200141.8 Ų141.887%0.8781%0.806SS**  trans-95.8151.1-162.1-67.4166.8177.7169.30115.8
354S46.8Very low45.9Very low111 Ų111142.7 Ų142.778%0.77680%0.803SS**  trans-36.1179.5156.5-116.30000117.7
355P46.7Very low45.1Very low101 Ų101146.1 Ų146.166%0.65680%0.804SS**  cis-143.2-159.3-4.927.50.1000115.2
356L45.3Very low45.1Very low146 Ų146146.4 Ų146.476%0.76480%0.803SS**  trans78.6150.4170-75.277.8000117.6
357Q44.1Very low45Very low162 Ų162144.8 Ų144.876%0.75780%0.804SS**  cis-168.5164.4-19.4177.1169.10.900109.9
358S43.8Very low44.5Very low105 Ų105144.3 Ų144.373%0.73481%0.808SS**  trans75.196.4159.851.70000123
359Q41.4Very low44.3Very low189 Ų189139.1 Ų139.188%0.88380%0.798SS**  59.3155.3116.6-83.6-103.3-52.400124.3
360P50Low44.8Very low90 Ų90140.7 Ų140.758%0.58480%0.803SS**  trans-122.4172.7-15843.9-30.9000116.4
361H49.3Very low44.6Very low200 Ų200142 Ų14293%0.92680%0.803SS**  trans-133.8153.6167.7-61.2-86.8000112.1
362S45.6Very low45.1Very low121 Ų121139.8 Ų139.885%0.84680%0.797SS**  trans-114.8153.1-163.1-179.80000113.1
363R43.7Very low45.5Very low203 Ų203144.1 Ų144.177%0.76680%0.802SS**  160.1111.3128.7179.9151.6-113.2158.1-0.6116.9
364M45.7Very low45.9Very low151 Ų151138.8 Ų138.874%0.74480%0.795SS**  trans55.6122.2141.6-65.8169.4170.300123.5
365K43.4Very low46.3Very low205 Ų205140.4 Ų140.489%0.89179%0.794SS**  -170.8152.497-99.7174.7179.9178.80111.9
366P43.5Very low47.2Very low128 Ų128140.2 Ų140.283%0.83179%0.787SS**  trans-103.5151.2-169.738.3-33.3000115.2
367A42.5Very low48.7Very low98 Ų98136.4 Ų136.481%0.8178%0.777SS**  trans-146.8142159.100000108.6S369A367-S369 PolarHBondContact O-N 2.97Å
368G37.3Very low50.6Low90 Ų90136.7 Ų136.793%0.92878%0.776SS**  trans-65.8130.6-166.800000114.3
369S43.5Very low52.6Low96 Ų96136 Ų13667%0.67176%0.764SS**  trans-122113.8174.5-177.40000109.4A367 N371A367-S369 PolarHBondContact O-N 2.97Å; S369-N371 VanDerWaalsContact C-N 3.32Å; S369-N371 PolarHBondContact O-N 2.8Å; S369-N371 VanDerWaalsContact O-N 3.17Å
370V49.5Very low54.9Low147 Ų147132.9 Ų132.989%0.89175%0.753SS**  trans-84.274.8173.5-76.10000110.1D372V370-D372 PolarHBondContact O-N 2.9Å
371N44.1Very low56.8Low152 Ų152132.9 Ų132.981%0.81375%0.748SS**  trans-88.385.5165.8-88-9.2000109.1S369S369-N371 VanDerWaalsContact C-N 3.32Å; S369-N371 PolarHBondContact O-N 2.8Å; S369-N371 VanDerWaalsContact O-N 3.17Å
372D46.5Very low58.8Low137 Ų137130.7 Ų130.773%0.73373%0.731SS**  trans-143.550.5179.7-149.5-28.6000111V370V370-D372 PolarHBondContact O-N 2.9Å
373M57.2Low61.1Low195 Ų195130.2 Ų130.296%0.96172%0.717SS**SBendtrans-147.312.1178.8-128.9179.6-17600114.3
374A53.4Low63.4Low87 Ų87126.8 Ų126.872%0.71971%0.708SS**  trans-128.553.6174.300000109.7D376A374-D376 VanDerWaalsContact C-N 3.32Å; A374-D376 PolarHBondContact O-N 2.71Å; A374-D376 VanDerWaalsContact O-N 3.11Å
375L56.5Low65.7Low145 Ų145124.3 Ų124.376%0.75970%0.695SS**  trans-62.8106.9149.5-69-179.9000105
376D64.6Low68.2Low97 Ų97119.6 Ų119.652%0.51968%0.676SS.*  trans-60.6147.9-165.2-124-36.3000110A374 F378 D379 L380A374-D376 VanDerWaalsContact C-N 3.32Å; A374-D376 PolarHBondContact O-N 2.71Å; A374-D376 VanDerWaalsContact O-N 3.11Å; D376-F378 PolarHBondContact O-N 3Å; D376-D379 PolarHBondContact O-N 2.74Å; D376-L380 PolarHBondContact O-N 3.38Å
377A77.5Confident70.6Confident67 Ų67118.1 Ų118.155%0.55466%0.66SS**Hα-helixtrans-55.8-30.3177.700000111.3L380 D381A377-L380 PolarHBondContact O-N 2.58Å; A377-D381 PolarHBondContact O-N 3.19Å
378F82.9Confident73.1Confident168 Ų168118.3 Ų118.374%0.73765%0.647SS**Hα-helixtrans-62.7-38.4172-68.8-79000114.4D376 L380 R382D376-F378 PolarHBondContact O-N 3Å; F378-L380 VanDerWaalsContact C-N 3.34Å; F378-R382 WeakPolarHBondContact O-CB 3.4Å; F378-R382 PolarHBondContact O-N 3.41Å
379D87.4Confident75.9Confident89 Ų89118.7 Ų118.748%0.47662%0.624SS.*Hα-helixtrans-68.5-36.5174.8-86.4-50.8000111.1D376 R382 M383D376-D379 PolarHBondContact O-N 2.74Å; D379-R382 PolarHBondContact O-N 2.95Å; D379-M383 VanDerWaalsContact O-CB 3.24Å; D379-M383 WeakPolarHBondContact O-CB 3.32Å; D379-M383 PolarHBondContact O-N 2.95Å
380L89.1Confident78.4Confident124 Ų124118.2 Ų118.265%0.64961%0.612SS**Hα-helixtrans-69.2-43.6177.4-155.978.4000112D376 A377 F378 M383 K384D376-L380 PolarHBondContact O-N 3.38Å; A377-L380 PolarHBondContact O-N 2.58Å; F378-L380 VanDerWaalsContact C-N 3.34Å; L380-M383 PolarHBondContact O-N 2.75Å; L380-K384 VanDerWaalsContact O-CB 3.27Å; L380-K384 WeakPolarHBondContact O-CB 3.43Å; L380-K384 PolarHBondContact O-N 3.01Å
381D90Very high80.6Confident90 Ų90114.8 Ų114.848%0.48159%0.591SS.*Hα-helixtrans-68.8-35.2173.9-89.8-53.7000112.1A377 K384 Q385A377-D381 PolarHBondContact O-N 3.19Å; D381-K384 PolarHBondContact O-N 3.39Å; D381-K384 IonicContact OD1-NZ 3.93Å; D381-K384 PolarHBondContact OD1-NZ 3.35Å; D381-K384 VanDerWaalsContact OD1-NZ 3.12Å; D381-Q385 WeakPolarHBondContact O-CB 3.38Å; D381-Q385 PolarHBondContact O-N 2.96Å
382R91.8Very high83.1Confident154 Ų154111 Ų11158%0.58157%0.573SS**Hα-helixtrans-63.4-47.3172.3-176.4-175.5174.3-66.1-14.6111.5F378 D379 K384 Q385 E386F378-R382 WeakPolarHBondContact O-CB 3.4Å; F378-R382 PolarHBondContact O-N 3.41Å; D379-R382 PolarHBondContact O-N 2.95Å; R382-K384 VanDerWaalsContact C-N 3.34Å; R382-K384 PolarHBondContact O-N 3.12Å; R382-Q385 PolarHBondContact O-N 3.19Å; R382-E386 IonicContact CZ-OE2 3.35Å; R382-E386 IonicContact NH1-OE2 3.45Å; R382-E386 PolarHBondContact NH1-OE2 2.82Å; R382-E386 IonicContact NH2-OE2 2.69Å; R382-E386 PolarHBondContact NH2-OE2 2.89Å; R382-E386 WeakPolarHBondContact O-CB 3.4Å; R382-E386 PolarHBondContact O-N 3.01Å
383M93.3Very high85.5Confident112 Ų112110.7 Ų110.755%0.55256%0.561SS**Hα-helixtrans-61.3-42.7176.3-178.9-176.7-67.200111.5D379 L380 Q385 E386 I387D379-M383 VanDerWaalsContact O-CB 3.24Å; D379-M383 WeakPolarHBondContact O-CB 3.32Å; D379-M383 PolarHBondContact O-N 2.95Å; L380-M383 PolarHBondContact O-N 2.75Å; M383-Q385 VanDerWaalsContact C-N 3.35Å; M383-Q385 PolarHBondContact O-N 3.08Å; M383-E386 PolarHBondContact O-N 3.45Å; M383-I387 HydrophobicContact CG-CD1 3.94Å; M383-I387 WeakPolarHBondContact O-CD1 3.28Å; M383-I387 VanDerWaalsContact O-CG1 3.25Å; M383-I387 WeakPolarHBondContact O-CG1 3.39Å; M383-I387 PolarHBondContact O-N 3.06Å
384K91.7Very high87.3Confident131 Ų131105.4 Ų105.457%0.5753%0.534SS*.Hα-helixtrans-61.3-41.5174.6172.1-174.4156.3-1530112.1L380 D381 R382 L388L380-K384 VanDerWaalsContact O-CB 3.27Å; L380-K384 WeakPolarHBondContact O-CB 3.43Å; L380-K384 PolarHBondContact O-N 3.01Å; D381-K384 PolarHBondContact O-N 3.39Å; D381-K384 IonicContact OD1-NZ 3.93Å; D381-K384 PolarHBondContact OD1-NZ 3.35Å; D381-K384 VanDerWaalsContact OD1-NZ 3.12Å; R382-K384 VanDerWaalsContact C-N 3.34Å; R382-K384 PolarHBondContact O-N 3.12Å; K384-L388 WeakPolarHBondContact O-CB 3.32Å; K384-L388 PolarHBondContact O-N 2.82Å
385Q94.8Very high89.4Confident99 Ų99106.5 Ų106.546%0.46353%0.527SS..Hα-helixtrans-64.6-45.3176.1-177.860.828.200111.4D381 R382 M383 I387 L388 E389D381-Q385 WeakPolarHBondContact O-CB 3.38Å; D381-Q385 PolarHBondContact O-N 2.96Å; R382-Q385 PolarHBondContact O-N 3.19Å; M383-Q385 VanDerWaalsContact C-N 3.35Å; M383-Q385 PolarHBondContact O-N 3.08Å; Q385-I387 PolarHBondContact O-N 2.84Å; Q385-L388 PolarHBondContact O-N 3.39Å; Q385-L388 VanDerWaalsContact O-N 3.14Å; Q385-E389 WeakPolarHBondContact CG-OE1 3.43Å; Q385-E389 PolarHBondContact NE2-OE1 3.33Å; Q385-E389 WeakPolarHBondContact O-CG 3.39Å; Q385-E389 PolarHBondContact O-N 2.86Å
386E94.3Very high91.3Very high105 Ų105104.5 Ų104.549%0.49151%0.514SS..Hα-helixtrans-59.1-44.2176.4-164.2175.1139.700111.6R382 M383 E389 E390R382-E386 IonicContact CZ-OE2 3.35Å; R382-E386 IonicContact NH1-OE2 3.45Å; R382-E386 PolarHBondContact NH1-OE2 2.82Å; R382-E386 IonicContact NH2-OE2 2.69Å; R382-E386 PolarHBondContact NH2-OE2 2.89Å; R382-E386 WeakPolarHBondContact O-CB 3.4Å; R382-E386 PolarHBondContact O-N 3.01Å; M383-E386 PolarHBondContact O-N 3.45Å; E386-E389 PolarHBondContact O-N 2.98Å; E386-E390 PolarHBondContact O-N 2.89Å
387I95.1Very high92.8Very high98 Ų98104.6 Ų104.650%0.50351%0.51SS..Hα-helixtrans-62.9-42.4173.7-68.9164.2000111.6M383 Q385 E390 V391M383-I387 HydrophobicContact CG-CD1 3.94Å; M383-I387 WeakPolarHBondContact O-CD1 3.28Å; M383-I387 VanDerWaalsContact O-CG1 3.25Å; M383-I387 WeakPolarHBondContact O-CG1 3.39Å; M383-I387 PolarHBondContact O-N 3.06Å; Q385-I387 PolarHBondContact O-N 2.84Å; I387-E390 PolarHBondContact O-N 3.11Å; I387-V391 HydrophobicContact CG2-CG2 4.36Å; I387-V391 WeakPolarHBondContact O-CB 3.46Å; I387-V391 VanDerWaalsContact O-CG2 3.31Å; I387-V391 WeakPolarHBondContact O-CG2 3.42Å; I387-V391 PolarHBondContact O-N 2.91Å
388L95.7Very high93.7Very high101 Ų101104.3 Ų104.353%0.52950%0.501SS..Hα-helixtrans-67.6-38.8-178.4-154.674.1000111.3K384 Q385 V391 V392K384-L388 WeakPolarHBondContact O-CB 3.32Å; K384-L388 PolarHBondContact O-N 2.82Å; Q385-L388 PolarHBondContact O-N 3.39Å; Q385-L388 VanDerWaalsContact O-N 3.14Å; L388-V391 PolarHBondContact O-N 3.27Å; L388-V392 WeakPolarHBondContact O-CB 3.08Å; L388-V392 VanDerWaalsContact O-CG2 3.26Å; L388-V392 WeakPolarHBondContact O-CG2 3.25Å; L388-V392 PolarHBondContact O-N 3Å
389E95.9Very high94.4Very high98 Ų98100.6 Ų100.646%0.45848%0.484SS..Hα-helixtrans-64.5-41.1173.4-74174.3-160.700112.2Q385 E386 R393Q385-E389 WeakPolarHBondContact CG-OE1 3.43Å; Q385-E389 PolarHBondContact NE2-OE1 3.33Å; Q385-E389 WeakPolarHBondContact O-CG 3.39Å; Q385-E389 PolarHBondContact O-N 2.86Å; E386-E389 PolarHBondContact O-N 2.98Å; E389-R393 VanDerWaalsContact O-CB 3.27Å; E389-R393 WeakPolarHBondContact O-CB 3.43Å; E389-R393 PolarHBondContact O-N 3.41Å
390E94.5Very high94.8Very high87 Ų87100.2 Ų100.241%0.40748%0.48SS..Hα-helixtrans-63.8-46.6174.3-16365.8-109.400111.7E386 I387 V392 R393 E394E386-E390 PolarHBondContact O-N 2.89Å; I387-E390 PolarHBondContact O-N 3.11Å; E390-V392 VanDerWaalsContact C-N 3.34Å; E390-V392 PolarHBondContact O-N 3.41Å; E390-R393 WeakPolarHBondContact O-CB 3.41Å; E390-R393 PolarHBondContact O-N 2.89Å; E390-R393 VanDerWaalsContact O-N 3.16Å; E390-R393 IonicContact OE1-CZ 3.91Å; E390-R393 IonicContact OE1-NE 2.66Å; E390-R393 IonicContact OE1-NH1 2.93Å; E390-R393 PolarHBondContact OE1-NH1 2.96Å; E390-R393 IonicContact OE2-CZ 2.9Å; E390-R393 IonicContact OE2-NH1 3.7Å; E390-R393 PolarHBondContact OE2-NH1 2.52Å; E390-R393 IonicContact OE2-NH2 2.71Å; E390-E394 PolarHBondContact O-N 2.92Å
391V96.5Very high95.1Very high75 Ų7599.5 Ų99.546%0.45547%0.473SS..Hα-helixtrans-62.7-40.4177.9169.70000111.5I387 L388 L395I387-V391 HydrophobicContact CG2-CG2 4.36Å; I387-V391 WeakPolarHBondContact O-CB 3.46Å; I387-V391 VanDerWaalsContact O-CG2 3.31Å; I387-V391 WeakPolarHBondContact O-CG2 3.42Å; I387-V391 PolarHBondContact O-N 2.91Å; L388-V391 PolarHBondContact O-N 3.27Å; V391-L395 HydrophobicContact CG1-CD1 4.11Å; V391-L395 VanDerWaalsContact O-CB 3.27Å; V391-L395 WeakPolarHBondContact O-CB 3.31Å; V391-L395 WeakPolarHBondContact O-CG 3.48Å; V391-L395 PolarHBondContact O-N 2.94Å
392V96.8Very high95.4Very high71 Ų7199.7 Ų99.743%0.4347%0.473SS..Hα-helixtrans-66.3-37.9175168.90000111.3L388 E390 H396L388-V392 WeakPolarHBondContact O-CB 3.08Å; L388-V392 VanDerWaalsContact O-CG2 3.26Å; L388-V392 WeakPolarHBondContact O-CG2 3.25Å; L388-V392 PolarHBondContact O-N 3Å; E390-V392 VanDerWaalsContact C-N 3.34Å; E390-V392 PolarHBondContact O-N 3.41Å; V392-H396 PolarHBondContact O-N 2.98Å; V392-H396 PolarHBondContact O-ND1 3.27Å
393R96.2Very high95.5Very high132 Ų13295 Ų9550%0.49846%0.459SS..Hα-helixtrans-66.7-47.1177.6-166.7-171.3-48.9141.89.6111.7E389 E390 H396 K397E389-R393 VanDerWaalsContact O-CB 3.27Å; E389-R393 WeakPolarHBondContact O-CB 3.43Å; E389-R393 PolarHBondContact O-N 3.41Å; E390-R393 WeakPolarHBondContact O-CB 3.41Å; E390-R393 PolarHBondContact O-N 2.89Å; E390-R393 VanDerWaalsContact O-N 3.16Å; E390-R393 IonicContact OE1-CZ 3.91Å; E390-R393 IonicContact OE1-NE 2.66Å; E390-R393 IonicContact OE1-NH1 2.93Å; E390-R393 PolarHBondContact OE1-NH1 2.96Å; E390-R393 IonicContact OE2-CZ 2.9Å; E390-R393 IonicContact OE2-NH1 3.7Å; E390-R393 PolarHBondContact OE2-NH1 2.52Å; E390-R393 IonicContact OE2-NH2 2.71Å; R393-H396 WeakPolarHBondContact O-CB 3.25Å; R393-H396 PolarHBondContact O-N 2.84Å; R393-H396 VanDerWaalsContact O-N 3.17Å; R393-K397 PolarHBondContact O-N 3.23Å
394E95.8Very high95.6Very high84 Ų8493.6 Ų93.639%0.39345%0.454SS..Hα-helixtrans-69.8-33.6179-15766.7-175.400111.4E390 K397 V398E390-E394 PolarHBondContact O-N 2.92Å; E394-K397 PolarHBondContact O-N 3.46Å; E394-K397 IonicContact OE1-NZ 3.58Å; E394-K397 PolarHBondContact OE1-NZ 2.91Å; E394-K397 WeakPolarHBondContact OE2-CD 3.4Å; E394-K397 IonicContact OE2-NZ 3.49Å; E394-V398 WeakPolarHBondContact O-CB 3.37Å; E394-V398 WeakPolarHBondContact O-CG2 3.22Å; E394-V398 PolarHBondContact O-N 2.97Å
395L96.8Very high95.7Very high109 Ų10989.7 Ų89.757%0.57145%0.446SS*.Hα-helixtrans-61.9-40.4168.5-85.2170.6000112.6V391 K399V391-L395 HydrophobicContact CG1-CD1 4.11Å; V391-L395 VanDerWaalsContact O-CB 3.27Å; V391-L395 WeakPolarHBondContact O-CB 3.31Å; V391-L395 WeakPolarHBondContact O-CG 3.48Å; V391-L395 PolarHBondContact O-N 2.94Å; L395-K399 WeakPolarHBondContact O-CB 3.18Å; L395-K399 PolarHBondContact O-N 2.7Å
396H96.2Very high95.6Very high104 Ų10489.4 Ų89.448%0.48145%0.447SS..Hα-helixtrans-64.2-43.1174.6-82.887.3000111.5V392 R393 K399 E400V392-H396 PolarHBondContact O-N 2.98Å; V392-H396 PolarHBondContact O-ND1 3.27Å; R393-H396 WeakPolarHBondContact O-CB 3.25Å; R393-H396 PolarHBondContact O-N 2.84Å; R393-H396 VanDerWaalsContact O-N 3.17Å; H396-K399 WeakPolarHBondContact O-CB 3.44Å; H396-K399 PolarHBondContact O-N 3.32Å; H396-E400 PolarHBondContact O-N 2.78Å
397K96.6Very high95.5Very high98 Ų9891.5 Ų91.543%0.42645%0.45SS..Hα-helixtrans-60.8-51.6175.8176.9-177.3155.7-152.70112R393 E394 K399 E400 E401R393-K397 PolarHBondContact O-N 3.23Å; E394-K397 PolarHBondContact O-N 3.46Å; E394-K397 IonicContact OE1-NZ 3.58Å; E394-K397 PolarHBondContact OE1-NZ 2.91Å; E394-K397 WeakPolarHBondContact OE2-CD 3.4Å; E394-K397 IonicContact OE2-NZ 3.49Å; K397-K399 PolarHBondContact O-N 2.9Å; K397-E400 PolarHBondContact O-N 2.77Å; K397-E400 VanDerWaalsContact O-N 3.11Å; K397-E401 WeakPolarHBondContact CE-OE1 3.27Å; K397-E401 PolarHBondContact O-N 2.83Å
398V97.2Very high95.4Very high61 Ų6193.5 Ų93.537%0.3746%0.457SS..Hα-helixtrans-59.4-36.4175.9170.50000111.4E394 E401 I402E394-V398 WeakPolarHBondContact O-CB 3.37Å; E394-V398 WeakPolarHBondContact O-CG2 3.22Å; E394-V398 PolarHBondContact O-N 2.97Å; V398-E401 PolarHBondContact O-N 2.89Å; V398-I402 HydrophobicContact CG1-CD1 3.77Å; V398-I402 HydrophobicContact CG1-CG1 4.4Å; V398-I402 WeakPolarHBondContact O-CB 3.43Å; V398-I402 VanDerWaalsContact O-CG1 3.24Å; V398-I402 WeakPolarHBondContact O-CG1 3.38Å; V398-I402 PolarHBondContact O-N 3.2Å
399K96.4Very high95Very high90 Ų9095.2 Ų95.239%0.39146%0.463SS..Hα-helixtrans-65.1-42.2175.1-176.2-140.167.7175.60112L395 H396 K397 I403L395-K399 WeakPolarHBondContact O-CB 3.18Å; L395-K399 PolarHBondContact O-N 2.7Å; H396-K399 WeakPolarHBondContact O-CB 3.44Å; H396-K399 PolarHBondContact O-N 3.32Å; K397-K399 PolarHBondContact O-N 2.9Å; K399-I403 HydrophobicContact CD-CD1 4.32Å; K399-I403 HydrophobicContact CG-CD1 4.16Å; K399-I403 WeakPolarHBondContact O-CB 3.19Å; K399-I403 WeakPolarHBondContact O-CD1 3.43Å; K399-I403 WeakPolarHBondContact O-CG1 3.35Å; K399-I403 PolarHBondContact O-N 2.82Å
400E96.7Very high94.6Very high81 Ų8195.3 Ų95.338%0.37947%0.466SS..Hα-helixtrans-67.5-43.5173.4-61.7-54.5147.400111.7H396 K397 I402 I403 D404H396-E400 PolarHBondContact O-N 2.78Å; K397-E400 PolarHBondContact O-N 2.77Å; K397-E400 VanDerWaalsContact O-N 3.11Å; E400-I402 VanDerWaalsContact C-N 3.3Å; E400-I402 PolarHBondContact O-N 2.83Å; E400-I403 PolarHBondContact O-N 2.85Å; E400-I403 VanDerWaalsContact O-N 3.07Å; E400-D404 PolarHBondContact O-N 3.44Å
401E95.3Very high94.2Very high109 Ų10994.8 Ų94.851%0.50947%0.472SS..Hα-helixtrans-57-41.4175.5-73.2176.8-170.700112.1K397 V398 A405K397-E401 WeakPolarHBondContact CE-OE1 3.27Å; K397-E401 PolarHBondContact O-N 2.83Å; V398-E401 PolarHBondContact O-N 2.89Å; E401-A405 WeakPolarHBondContact O-CB 3.26Å; E401-A405 PolarHBondContact O-N 3.05Å
402I95.4Very high93.2Very high94 Ų9493.5 Ų93.548%0.48247%0.474SS..Hα-helixtrans-67.4-41.1174.5-70.9167.7000111.6V398 E400 D404 I406V398-I402 HydrophobicContact CG1-CD1 3.77Å; V398-I402 HydrophobicContact CG1-CG1 4.4Å; V398-I402 WeakPolarHBondContact O-CB 3.43Å; V398-I402 VanDerWaalsContact O-CG1 3.24Å; V398-I402 WeakPolarHBondContact O-CG1 3.38Å; V398-I402 PolarHBondContact O-N 3.2Å; E400-I402 VanDerWaalsContact C-N 3.3Å; E400-I402 PolarHBondContact O-N 2.83Å; I402-D404 VanDerWaalsContact C-N 3.35Å; I402-I406 HydrophobicContact CG2-CD1 3.76Å; I402-I406 HydrophobicContact CG2-CG1 4.47Å; I402-I406 WeakPolarHBondContact O-CB 3.24Å; I402-I406 VanDerWaalsContact O-CG1 3.24Å; I402-I406 WeakPolarHBondContact O-CG1 3.44Å; I402-I406 PolarHBondContact O-N 3.25Å
403I95.5Very high91.7Very high56 Ų5695.7 Ų95.729%0.28748%0.482SS..Hα-helixtrans-63-43.1177.3-74.2165.4000110.5K399 E400 I406 R407K399-I403 HydrophobicContact CD-CD1 4.32Å; K399-I403 HydrophobicContact CG-CD1 4.16Å; K399-I403 WeakPolarHBondContact O-CB 3.19Å; K399-I403 WeakPolarHBondContact O-CD1 3.43Å; K399-I403 WeakPolarHBondContact O-CG1 3.35Å; K399-I403 PolarHBondContact O-N 2.82Å; E400-I403 PolarHBondContact O-N 2.85Å; E400-I403 VanDerWaalsContact O-N 3.07Å; I403-I406 PolarHBondContact O-N 3.01Å; I403-R407 VanDerWaalsContact CG2-CZ 3.47Å; I403-R407 WeakPolarHBondContact O-CB 3.29Å; I403-R407 VanDerWaalsContact O-CG 3.26Å; I403-R407 WeakPolarHBondContact O-CG 3.46Å; I403-R407 PolarHBondContact O-N 2.77Å
404D94.4Very high90Very high83 Ų8394.1 Ų94.144%0.44449%0.491SS..Hα-helixtrans-72.5-36.8-179.9-74.7-18.2000112.3E400 I402 R407 Q408E400-D404 PolarHBondContact O-N 3.44Å; I402-D404 VanDerWaalsContact C-N 3.35Å; D404-R407 PolarHBondContact O-N 3.16Å; D404-R407 WeakPolarHBondContact OD1-CD 3.29Å; D404-R407 IonicContact OD1-CZ 3.4Å; D404-R407 IonicContact OD1-NH1 3.27Å; D404-R407 PolarHBondContact OD1-NH1 2.66Å; D404-Q408 WeakPolarHBondContact O-CB 3.49Å; D404-Q408 PolarHBondContact O-N 3.05Å
405A93.6Very high88.2Confident49 Ų4996 Ų9641%0.40551%0.509SS..Hα-helixtrans-59.8-46.8169.200000111.7E401 R407 Q408 E409E401-A405 WeakPolarHBondContact O-CB 3.26Å; E401-A405 PolarHBondContact O-N 3.05Å; A405-R407 VanDerWaalsContact C-N 3.35Å; A405-R407 PolarHBondContact O-N 3.06Å; A405-Q408 PolarHBondContact O-N 3.11Å; A405-E409 WeakPolarHBondContact O-CG 3.42Å; A405-E409 PolarHBondContact O-N 3.17Å
406I93.6Very high85.8Confident93 Ų93100.3 Ų100.348%0.47754%0.54SS..Hα-helixtrans-62.3-41.5176.2-69.3166.8000111I402 I403 Q408 E409 L410I402-I406 HydrophobicContact CG2-CD1 3.76Å; I402-I406 HydrophobicContact CG2-CG1 4.47Å; I402-I406 WeakPolarHBondContact O-CB 3.24Å; I402-I406 VanDerWaalsContact O-CG1 3.24Å; I402-I406 WeakPolarHBondContact O-CG1 3.44Å; I402-I406 PolarHBondContact O-N 3.25Å; I403-I406 PolarHBondContact O-N 3.01Å; I406-Q408 VanDerWaalsContact C-N 3.34Å; I406-Q408 PolarHBondContact O-N 3.34Å; I406-E409 PolarHBondContact O-N 3.3Å; I406-L410 HydrophobicContact CG2-CD1 3.85Å; I406-L410 HydrophobicContact CG2-CG 4.21Å; I406-L410 WeakPolarHBondContact O-CB 3.31Å; I406-L410 WeakPolarHBondContact O-CG 3.3Å; I406-L410 PolarHBondContact O-N 3.41Å
407R92.1Very high85.3Confident149 Ų149100.1 Ų100.156%0.56254%0.542SS*.Hα-helixtrans-61.6-41.3175.2-75.9165.5171.8166.6-1.5112I403 D404 A405 L410 S411I403-R407 VanDerWaalsContact CG2-CZ 3.47Å; I403-R407 WeakPolarHBondContact O-CB 3.29Å; I403-R407 VanDerWaalsContact O-CG 3.26Å; I403-R407 WeakPolarHBondContact O-CG 3.46Å; I403-R407 PolarHBondContact O-N 2.77Å; D404-R407 PolarHBondContact O-N 3.16Å; D404-R407 WeakPolarHBondContact OD1-CD 3.29Å; D404-R407 IonicContact OD1-CZ 3.4Å; D404-R407 IonicContact OD1-NH1 3.27Å; D404-R407 PolarHBondContact OD1-NH1 2.66Å; A405-R407 VanDerWaalsContact C-N 3.35Å; A405-R407 PolarHBondContact O-N 3.06Å; R407-L410 PolarHBondContact O-N 3.28Å; R407-S411 WeakPolarHBondContact O-CB 3.26Å; R407-S411 PolarHBondContact O-N 3.22Å
408Q91.4Very high84.7Confident140 Ų140100.2 Ų100.265%0.65455%0.549SS*.Hα-helixtrans-63.3-48.8177.5-172.3167.744.700110.9D404 A405 I406 L410 S411 G412D404-Q408 WeakPolarHBondContact O-CB 3.49Å; D404-Q408 PolarHBondContact O-N 3.05Å; A405-Q408 PolarHBondContact O-N 3.11Å; I406-Q408 VanDerWaalsContact C-N 3.34Å; I406-Q408 PolarHBondContact O-N 3.34Å; Q408-L410 PolarHBondContact O-N 3.48Å; Q408-S411 PolarHBondContact O-N 3.42Å; Q408-S411 PolarHBondContact O-OG 3.21Å; Q408-G412 PolarHBondContact O-N 2.9Å
409E88.4Confident84Confident137 Ų137102.4 Ų102.464%0.6456%0.559SS**Hα-helixtrans-58.2-47.7174.8-68.8-64.2123.700112A405 I406 S411 G412 I413A405-E409 WeakPolarHBondContact O-CG 3.42Å; A405-E409 PolarHBondContact O-N 3.17Å; I406-E409 PolarHBondContact O-N 3.3Å; E409-S411 VanDerWaalsContact C-N 3.27Å; E409-S411 PolarHBondContact O-N 3.02Å; E409-G412 PolarHBondContact O-N 3.34Å; E409-I413 WeakPolarHBondContact O-CG1 3.46Å; E409-I413 PolarHBondContact O-N 3.09Å
410L87.1Confident83.2Confident99 Ų99103.1 Ų103.152%0.51857%0.568SS.*Hα-helixtrans-61.9-31.5177.1-70.8177.4000113.2I406 R407 Q408 I413 S414I406-L410 HydrophobicContact CG2-CD1 3.85Å; I406-L410 HydrophobicContact CG2-CG 4.21Å; I406-L410 WeakPolarHBondContact O-CB 3.31Å; I406-L410 WeakPolarHBondContact O-CG 3.3Å; I406-L410 PolarHBondContact O-N 3.41Å; R407-L410 PolarHBondContact O-N 3.28Å; Q408-L410 PolarHBondContact O-N 3.48Å; L410-I413 HydrophobicContact CD2-CD1 3.92Å; L410-I413 WeakPolarHBondContact O-CG1 3.43Å; L410-S414 PolarHBondContact O-OG 3.48Å; L410-S414 VanDerWaalsContact O-OG 3.05Å
411S85.4Confident82.4Confident76 Ų76104.5 Ų104.553%0.53158%0.58SS.*Hα-helixtrans-73-3417375.50000112.4R407 Q408 E409 S414R407-S411 WeakPolarHBondContact O-CB 3.26Å; R407-S411 PolarHBondContact O-N 3.22Å; Q408-S411 PolarHBondContact O-N 3.42Å; Q408-S411 PolarHBondContact O-OG 3.21Å; E409-S411 VanDerWaalsContact C-N 3.27Å; E409-S411 PolarHBondContact O-N 3.02Å; S411-S414 PolarHBondContact O-N 2.91Å
412G75.4Confident81.5Confident49 Ų49104.2 Ų104.251%0.50559%0.585SS.*Hα-helixtrans-67.9-45.7177.400000113.3Q408 E409 S414 T415Q408-G412 PolarHBondContact O-N 2.9Å; E409-G412 PolarHBondContact O-N 3.34Å; G412-S414 PolarHBondContact O-N 3.32Å; G412-S414 VanDerWaalsContact O-N 3.16Å; G412-T415 PolarHBondContact O-N 3.08Å
413I67.4Low80.6Confident117 Ų117104.9 Ų104.960%0.659%0.592SS**THydrogen-bonded Turntrans-69.5-7.5178.655.3158.6000114.5E409 L410 T415E409-I413 WeakPolarHBondContact O-CG1 3.46Å; E409-I413 PolarHBondContact O-N 3.09Å; L410-I413 HydrophobicContact CD2-CD1 3.92Å; L410-I413 WeakPolarHBondContact O-CG1 3.43Å; I413-T415 PolarHBondContact O-N 3.35Å
414S60.4Low79.4Confident99 Ų99108.7 Ų108.769%0.69262%0.616SS**THydrogen-bonded Turntrans-81.94.8176.1-62.30000113.5L410 S411 G412L410-S414 PolarHBondContact O-OG 3.48Å; L410-S414 VanDerWaalsContact O-OG 3.05Å; S411-S414 PolarHBondContact O-N 2.91Å; G412-S414 PolarHBondContact O-N 3.32Å; G412-S414 VanDerWaalsContact O-N 3.16Å
415T57.9Low78.2Confident123 Ų123110.8 Ų110.876%0.75563%0.63SS**  trans-125.559.1-179.5-47.50000112.3G412 I413G412-T415 PolarHBondContact O-N 3.08Å; I413-T415 PolarHBondContact O-N 3.35Å
416T45.2Very low76.8Confident199 Ų199116.5 Ų116.5100%1.22165%0.651SS**  trans-147.70163.554.70000110.9

Retrieved 416 of 416 residues in 566.8 ms (Link to these results)

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