A0A087Y9Y5_POEFO Loading...

LSM14A mRNA processing body assembly factor b

AlphaFold DB (A0A3B3U9K4), UniProt , Accession A0A087Y9Y5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 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
1M38.5Very low68Low238 Ų23896.5 Ų96.5100%1.17265%0.652SS**  01420-58.3889200108.2
2S45.2Very low70.3Confident130 Ų13095.8 Ų95.891%0.90963%0.629SS**  trans-88.1113.9171.5-160.30000108
3G45.3Very low72.3Confident67 Ų6788.6 Ų88.669%0.69158%0.582SS**  trans-67.1148.5-178.300000111.8G5G3-G5 PolarHBondContact O-N 3.44Å
4G50.2Low74.1Confident96 Ų9683.1 Ų83.199%0.9955%0.546SS*.  trans-73.749174.300000113.1
5G60.9Low75.7Confident55 Ų5577.6 Ų77.657%0.56751%0.51SS*.  trans-72.1149.6174.200000111.3G3G3-G5 PolarHBondContact O-N 3.44Å
6T65.4Low77.1Confident85 Ų8574.3 Ų74.352%0.52149%0.486SS..  trans-53.4126.616929.30000109.4Y8 I9T6-Y8 PolarHBondContact O-N 3.04Å; T6-I9 PolarHBondContact O-N 2.67Å; T6-I9 VanDerWaalsContact O-N 3.1Å; T6-I9 WeakPolarHBondContact OG1-CD1 3.38Å
7P76.5Confident78.3Confident106 Ų10670.6 Ų70.669%0.68846%0.462SS*.THydrogen-bonded Turntrans-70.23.3-15526.2-36.5000115.9
8Y85.4Confident79.3Confident127 Ų12774.4 Ų74.450%0.49847%0.47SS..THydrogen-bonded Turntrans-108.9-13-179.2-51.4-65000113.2T6 G10 S11 V78T6-Y8 PolarHBondContact O-N 3.04Å; Y8-G10 PolarHBondContact O-N 2.86Å; Y8-S11 WeakPolarHBondContact O-CB 3.5Å; Y8-S11 PolarHBondContact O-N 2.87Å; Y8-S11 PolarHBondContact O-OG 3.29Å; Y8-V78 HydrophobicContact CD1-CG2 4.29Å
9I93.1Very high80.2Confident75 Ų7573.3 Ų73.339%0.38547%0.468SS..THydrogen-bonded Turntrans-58.7136.1-179.9-86.247.4000110.3T6 S11 L27 I30T6-I9 PolarHBondContact O-N 2.67Å; T6-I9 VanDerWaalsContact O-N 3.1Å; T6-I9 WeakPolarHBondContact OG1-CD1 3.38Å; I9-S11 PolarHBondContact O-N 3.12Å; I9-L27 HydrophobicContact CD1-CD2 3.97Å; I9-L27 HydrophobicContact CD1-CG 4.06Å; I9-I30 HydrophobicContact CD1-CG1 4.46Å
10G92.6Very high81Confident50 Ų5071.5 Ų71.552%0.51545%0.453SS..THydrogen-bonded Turntrans78.5-6.7-172.100000115.1Y8 I26 L27Y8-G10 PolarHBondContact O-N 2.86Å; G10-I26 WeakPolarHBondContact O-CG2 3.2Å; G10-L27 PolarHBondContact N-O 2.84Å
11S94.7Very high81.8Confident33 Ų3368.9 Ų68.923%0.23144%0.436CS..  trans-72.2150173.8-57.60000111.3Y8 I9 I26 L27Y8-S11 WeakPolarHBondContact O-CB 3.5Å; Y8-S11 PolarHBondContact O-N 2.87Å; Y8-S11 PolarHBondContact O-OG 3.29Å; I9-S11 PolarHBondContact O-N 3.12Å; S11-I26 WeakPolarHBondContact O-CA 3.15Å; S11-L27 PolarHBondContact O-N 2.99Å
12K95.9Very high84.6Confident87 Ų8759.4 Ų59.438%0.37839%0.387SS..EExtended strand (participates in β ladder)trans-76.3130.9169.5-172.8-175.2179.2-168.30109.6E24 G25 I26 C79K12-E24 VanDerWaalsContact CE-OE2 3.22Å; K12-E24 WeakPolarHBondContact CE-OE2 3.46Å; K12-E24 IonicContact NZ-OE1 2.82Å; K12-E24 IonicContact NZ-OE2 3.7Å; K12-E24 PolarHBondContact NZ-OE2 2.88Å; K12-G25 CarbonylContact C-O 3.59Å; K12-G25 WeakPolarHBondContact CA-O 3.42Å; K12-I26 HydrophobicContact CB-CD1 4Å; K12-I26 HydrophobicContact CG-CD1 4.28Å; K12-C79 HydrophobicContact CB-CB 4.12Å; K12-C79 HydrophobicContact CD-CB 4.33Å; K12-C79 HydrophobicContact CG-CB 4.27Å; K12-C79 WeakPolarHBondContact O-CB 3.25Å; K12-C79 PolarHBondContact O-N 3.41Å
13I96.6Very high87.1Confident3 Ų355.1 Ų55.12%0.01535%0.351CS..EExtended strand (participates in β ladder)trans-113.9140178.3-52.6-58.7000109.3L15 E24 G25 L27 L39 L76 V78I13-L15 HydrophobicContact CG2-CB 4.23Å; I13-E24 WeakPolarHBondContact O-CA 3.49Å; I13-G25 PolarHBondContact N-O 3.43Å; I13-G25 PolarHBondContact O-N 2.93Å; I13-G25 VanDerWaalsContact O-N 3.09Å; I13-L27 HydrophobicContact CD1-CB 4.21Å; I13-L27 HydrophobicContact CD1-CD2 4.36Å; I13-L27 HydrophobicContact CG1-CB 3.76Å; I13-L39 HydrophobicContact CB-CD1 4.33Å; I13-L39 HydrophobicContact CB-CD2 3.98Å; I13-L39 HydrophobicContact CG1-CD2 3.87Å; I13-L39 HydrophobicContact CG2-CD1 4.4Å; I13-L39 HydrophobicContact CG2-CD2 4.4Å; I13-L76 HydrophobicContact CD1-CD2 4.42Å; I13-L76 HydrophobicContact CG2-CD1 4.42Å; I13-L76 HydrophobicContact CG2-CD2 3.73Å; I13-L76 HydrophobicContact CG2-CG 3.74Å; I13-V78 HydrophobicContact CD1-CB 4.31Å; I13-V78 HydrophobicContact CD1-CG1 4.27Å; I13-V78 HydrophobicContact CD1-CG2 3.9Å
14S97.1Very high89.6Confident12 Ų1253.7 Ų53.78%0.08433%0.327CS..EExtended strand (participates in β ladder)trans-111.9112.7162.3174.60000108.2R22 Y23 T77S14-R22 PolarHBondContact OG-NH1 3Å; S14-Y23 WeakPolarHBondContact CA-O 3.06Å; S14-T77 PolarHBondContact N-O 2.89Å; S14-T77 PolarHBondContact O-N 3.06Å; S14-T77 PolarHBondContact O-OG1 2.9Å
15L97.9Very high91.8Very high0 Ų049.3 Ų49.30%028%0.282CS..EExtended strand (participates in β ladder)trans-115.7132.3-172.8-179.1159.5000109.2I13 R22 Y23 L39 F68 I73 L76I13-L15 HydrophobicContact CG2-CB 4.23Å; L15-R22 CarbonylContact O-C 3.51Å; L15-R22 WeakPolarHBondContact O-CA 3.47Å; L15-Y23 HydrophobicContact CD2-CD2 4.2Å; L15-Y23 PolarHBondContact N-O 2.98Å; L15-Y23 PolarHBondContact O-N 3.19Å; L15-L39 HydrophobicContact CB-CD1 4.27Å; L15-L39 HydrophobicContact CD1-CD1 4.11Å; L15-F68 HydrophobicContact CD1-CB 4.2Å; L15-F68 HydrophobicContact CD1-CD1 4.27Å; L15-F68 HydrophobicContact CD1-CD2 3.8Å; L15-F68 HydrophobicContact CD1-CE2 4.22Å; L15-F68 HydrophobicContact CD1-CG 3.83Å; L15-F68 HydrophobicContact CD2-CD1 3.74Å; L15-F68 HydrophobicContact CD2-CE1 3.7Å; L15-F68 HydrophobicContact CD2-CE2 4.48Å; L15-F68 HydrophobicContact CD2-CG 4.16Å; L15-F68 HydrophobicContact CD2-CZ 4.09Å; L15-I73 HydrophobicContact CD1-CD1 3.82Å; L15-I73 HydrophobicContact CD1-CG1 4.07Å; L15-I73 HydrophobicContact CD2-CG1 4.36Å; L15-I73 HydrophobicContact CG-CG1 4.36Å; L15-I73 HydrophobicContact CG-CG2 4.31Å; L15-L76 HydrophobicContact CD1-CD1 4.32Å
16I97.9Very high93.6Very high25 Ų2549.8 Ų49.813%0.12827%0.27CS..EExtended strand (participates in β ladder)trans-109.6123.6172.8-53178.7000108.1I21 R22 K74 D75I16-I21 WeakPolarHBondContact CA-O 3.47Å; I16-R22 HydrophobicContact CG1-CB 4.22Å; I16-R22 HydrophobicContact CG1-CG 4.06Å; I16-K74 WeakPolarHBondContact O-CB 3.34Å; I16-K74 PolarHBondContact O-N 3.42Å; I16-D75 HydrophobicContact CB-CB 4.2Å; I16-D75 HydrophobicContact CD1-CB 4.41Å; I16-D75 HydrophobicContact CG1-CB 4.46Å; I16-D75 PolarHBondContact N-O 2.79Å; I16-D75 PolarHBondContact O-N 2.86Å; I16-D75 VanDerWaalsContact O-N 3.13Å
17S97.5Very high95.1Very high12 Ų1246.1 Ų46.18%0.08425%0.248CC..EExtended strand (participates in β ladder)trans-82.1168.2176.673.20000112A19 E20 I21 D72S17-A19 PolarHBondContact O-N 3.06Å; S17-A19 VanDerWaalsContact O-N 3.1Å; S17-A19 PolarHBondContact OG-N 2.77Å; S17-E20 WeakPolarHBondContact O-CA 3.26Å; S17-E20 PolarHBondContact O-N 2.93Å; S17-I21 PolarHBondContact N-O 3.46Å; S17-D72 CarbonylContact C-O 3.48Å; S17-D72 WeakPolarHBondContact CA-O 3.4Å
18K96.9Very high96Very high139 Ų13946.8 Ų46.860%0.60424%0.237SC*.THydrogen-bonded Turntrans-61.3-12.2172.1-76-175.7174.8173.50114.9S71 D72 K74K18-S71 WeakPolarHBondContact CD-O 3.22Å; K18-S71 WeakPolarHBondContact CE-O 3.46Å; K18-S71 PolarHBondContact NZ-O 2.8Å; K18-D72 PolarHBondContact N-O 3.42Å; K18-K74 HydrophobicContact CG-CB 4.48Å
19A95.7Very high96.5Very high53 Ų5344 Ų4444%0.43823%0.233SC..THydrogen-bonded Turntrans-86.311.1170.100000112.9S17 I21S17-A19 PolarHBondContact O-N 3.06Å; S17-A19 VanDerWaalsContact O-N 3.1Å; S17-A19 PolarHBondContact OG-N 2.77Å; A19-I21 HydrophobicContact CB-CD1 3.94Å; A19-I21 HydrophobicContact CB-CG1 3.95Å; A19-I21 PolarHBondContact O-N 3.13Å; A19-I21 VanDerWaalsContact O-N 3.11Å
20E97.1Very high96.6Very high36 Ų3644 Ų4417%0.16823%0.234CC..SBendtrans56.416.2-169.6-48.7-64154.600114.1S17 R50 T52 K74S17-E20 WeakPolarHBondContact O-CA 3.26Å; S17-E20 PolarHBondContact O-N 2.93Å; E20-R50 HydrophobicContact CB-CB 3.85Å; E20-R50 HydrophobicContact CG-CB 4.31Å; E20-R50 PolarHBondContact O-NE 2.73Å; E20-R50 PolarHBondContact O-NH2 2.95Å; E20-R50 VanDerWaalsContact O-NH2 3.1Å; E20-T52 HydrophobicContact CB-CG2 3.53Å; E20-T52 HydrophobicContact CG-CG2 3.5Å; E20-T52 VanDerWaalsContact CG-CG2 3.5Å; E20-K74 WeakPolarHBondContact OE1-CD 3.5Å; E20-K74 IonicContact OE1-NZ 2.62Å; E20-K74 PolarHBondContact OE1-NZ 3.21Å; E20-K74 IonicContact OE2-NZ 2.7Å; E20-K74 PolarHBondContact OE2-NZ 3.41Å
21I97.4Very high96.7Very high18 Ų1844 Ų449%0.09222%0.222CC..  trans-80.9126.2177.5-55.5170.4000108.3I16 S17 A19 Y23 S44 G46 T47 I56I16-I21 WeakPolarHBondContact CA-O 3.47Å; S17-I21 PolarHBondContact N-O 3.46Å; A19-I21 HydrophobicContact CB-CD1 3.94Å; A19-I21 HydrophobicContact CB-CG1 3.95Å; A19-I21 PolarHBondContact O-N 3.13Å; A19-I21 VanDerWaalsContact O-N 3.11Å; I21-Y23 HydrophobicContact CB-CD2 4.49Å; I21-Y23 HydrophobicContact CB-CE2 3.66Å; I21-Y23 HydrophobicContact CG2-CD2 4.13Å; I21-Y23 HydrophobicContact CG2-CE1 4.07Å; I21-Y23 HydrophobicContact CG2-CE2 3.48Å; I21-Y23 VanDerWaalsContact CG2-CE2 3.48Å; I21-Y23 VanDerWaalsContact CG2-CZ 3.45Å; I21-Y23 WeakPolarHBondContact O-CD2 3.27Å; I21-Y23 WeakPolarHBondContact O-CE2 3.33Å; I21-S44 VanDerWaalsContact CG2-OG 3.27Å; I21-S44 WeakPolarHBondContact CG2-OG 3.5Å; I21-G46 WeakPolarHBondContact CA-O 3.13Å; I21-T47 HydrophobicContact CG1-CG2 4.49Å; I21-I56 HydrophobicContact CD1-CD1 3.54Å; I21-I56 HydrophobicContact CG1-CD1 3.98Å
22R97.8Very high96.7Very high39 Ų3948.1 Ų48.115%0.14725%0.246CC..EExtended strand (participates in β ladder)trans-92.3132.9173.7-170.7170.775.584.14110.7S14 L15 I16 E24 F45 G46 E48 R50S14-R22 PolarHBondContact OG-NH1 3Å; L15-R22 CarbonylContact O-C 3.51Å; L15-R22 WeakPolarHBondContact O-CA 3.47Å; I16-R22 HydrophobicContact CG1-CB 4.22Å; I16-R22 HydrophobicContact CG1-CG 4.06Å; R22-E24 IonicContact CZ-OE1 3.11Å; R22-E24 IonicContact NH1-OE1 3.23Å; R22-E24 PolarHBondContact NH1-OE1 3.04Å; R22-E24 IonicContact NH2-OE1 3.35Å; R22-F45 HydrophobicContact CB-CB 4.43Å; R22-F45 VanDerWaalsContact NH2-CD1 3.25Å; R22-F45 PolarHBondContact O-N 3.11Å; R22-G46 PolarHBondContact N-O 3Å; R22-E48 WeakPolarHBondContact CD-OE2 3.31Å; R22-E48 IonicContact CZ-OE1 2.55Å; R22-E48 IonicContact CZ-OE2 2.67Å; R22-E48 IonicContact NE-OE1 2.72Å; R22-E48 PolarHBondContact NE-OE1 3.27Å; R22-E48 VanDerWaalsContact NE-OE1 3.11Å; R22-E48 IonicContact NE-OE2 2.82Å; R22-E48 PolarHBondContact NE-OE2 3.31Å; R22-E48 IonicContact NH2-OE1 2.65Å; R22-E48 PolarHBondContact NH2-OE1 2.98Å; R22-E48 IonicContact NH2-OE2 2.64Å; R22-R50 VanDerWaalsContact CB-NH2 3.28Å
23Y98Very high96.7Very high39 Ų3952.3 Ų52.315%0.15327%0.266CS..EExtended strand (participates in β ladder)trans-121.1138.9177-58.8-95.2000108.9S14 L15 I21 V42 R43 I66 F68S14-Y23 WeakPolarHBondContact CA-O 3.06Å; L15-Y23 HydrophobicContact CD2-CD2 4.2Å; L15-Y23 PolarHBondContact N-O 2.98Å; L15-Y23 PolarHBondContact O-N 3.19Å; I21-Y23 HydrophobicContact CB-CD2 4.49Å; I21-Y23 HydrophobicContact CB-CE2 3.66Å; I21-Y23 HydrophobicContact CG2-CD2 4.13Å; I21-Y23 HydrophobicContact CG2-CE1 4.07Å; I21-Y23 HydrophobicContact CG2-CE2 3.48Å; I21-Y23 VanDerWaalsContact CG2-CE2 3.48Å; I21-Y23 VanDerWaalsContact CG2-CZ 3.45Å; I21-Y23 WeakPolarHBondContact O-CD2 3.27Å; I21-Y23 WeakPolarHBondContact O-CE2 3.33Å; Y23-V42 HydrophobicContact CD1-CG1 4.2Å; Y23-R43 WeakPolarHBondContact CA-O 3.41Å; Y23-I66 HydrophobicContact CD1-CD1 4.25Å; Y23-I66 HydrophobicContact CE1-CD1 4.31Å; Y23-F68 AromaticContact CD1-CZ 3.97Å; Y23-F68 HydrophobicContact CD1-CZ 3.97Å; Y23-F68 AromaticContact CD2-CE1 3.79Å; Y23-F68 HydrophobicContact CD2-CE1 3.79Å; Y23-F68 AromaticContact CD2-CZ 3.77Å; Y23-F68 HydrophobicContact CD2-CZ 3.77Å; Y23-F68 HydrophobicContact CE1-CZ 4.29Å; Y23-F68 AromaticContact CE2-CE1 3.79Å; Y23-F68 HydrophobicContact CE2-CE1 3.79Å; Y23-F68 HydrophobicContact CE2-CZ 4.12Å; Y23-F68 HydrophobicContact CG-CE1 4.2Å; Y23-F68 AromaticContact CG-CZ 3.69Å; Y23-F68 HydrophobicContact CG-CZ 3.69Å
24E97.4Very high96.6Very high37 Ų3757.6 Ų57.617%0.17330%0.295CS..EExtended strand (participates in β ladder)trans-114.6136.5164.8-61.8178.8176.200109.6K12 I13 R22 V42 R43 F45K12-E24 VanDerWaalsContact CE-OE2 3.22Å; K12-E24 WeakPolarHBondContact CE-OE2 3.46Å; K12-E24 IonicContact NZ-OE1 2.82Å; K12-E24 IonicContact NZ-OE2 3.7Å; K12-E24 PolarHBondContact NZ-OE2 2.88Å; I13-E24 WeakPolarHBondContact O-CA 3.49Å; R22-E24 IonicContact CZ-OE1 3.11Å; R22-E24 IonicContact NH1-OE1 3.23Å; R22-E24 PolarHBondContact NH1-OE1 3.04Å; R22-E24 IonicContact NH2-OE1 3.35Å; E24-V42 CarbonylContact O-C 3.57Å; E24-V42 VanDerWaalsContact O-CA 3.3Å; E24-V42 WeakPolarHBondContact O-CA 3.43Å; E24-R43 PolarHBondContact N-O 3.17Å; E24-R43 PolarHBondContact O-N 2.77Å; E24-F45 HydrophobicContact CB-CE2 3.78Å; E24-F45 HydrophobicContact CG-CD2 4.02Å; E24-F45 HydrophobicContact CG-CE2 3.43Å; E24-F45 VanDerWaalsContact CG-CE2 3.43Å; E24-F45 HydrophobicContact CG-CZ 4.04Å; E24-F45 WeakPolarHBondContact OE2-CE2 3.41Å; E24-F45 WeakPolarHBondContact OE2-CZ 3.33Å
25G97.2Very high96.6Very high4 Ų460.7 Ų60.74%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-158.4-176.9176.700000111.6K12 I13K12-G25 CarbonylContact C-O 3.59Å; K12-G25 WeakPolarHBondContact CA-O 3.42Å; I13-G25 PolarHBondContact N-O 3.43Å; I13-G25 PolarHBondContact O-N 2.93Å; I13-G25 VanDerWaalsContact O-N 3.09Å
26I96.9Very high96.6Very high65 Ų6562.1 Ų62.133%0.33333%0.325SS..EExtended strand (participates in β ladder)trans-101.5132.8172.6-56.2-55.9000108.5G10 S11 K12 Y28 L39 A40G10-I26 WeakPolarHBondContact O-CG2 3.2Å; S11-I26 WeakPolarHBondContact O-CA 3.15Å; K12-I26 HydrophobicContact CB-CD1 4Å; K12-I26 HydrophobicContact CG-CD1 4.28Å; I26-Y28 PolarHBondContact O-N 3.37Å; I26-L39 CarbonylContact O-C 3.55Å; I26-L39 WeakPolarHBondContact O-CA 3.22Å; I26-A40 PolarHBondContact N-O 2.79Å; I26-A40 PolarHBondContact O-N 2.84Å
27L97.1Very high96.5Very high8 Ų861.8 Ų61.84%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-66.7116.7177.1-177.253.3000110.7I9 G10 S11 I13 I30 V37 L39I9-L27 HydrophobicContact CD1-CD2 3.97Å; I9-L27 HydrophobicContact CD1-CG 4.06Å; G10-L27 PolarHBondContact N-O 2.84Å; S11-L27 PolarHBondContact O-N 2.99Å; I13-L27 HydrophobicContact CD1-CB 4.21Å; I13-L27 HydrophobicContact CD1-CD2 4.36Å; I13-L27 HydrophobicContact CG1-CB 3.76Å; L27-I30 HydrophobicContact CD1-CG1 3.9Å; L27-I30 HydrophobicContact CD2-CD1 3.9Å; L27-I30 HydrophobicContact CD2-CG1 4.07Å; L27-I30 HydrophobicContact CG-CG1 4.43Å; L27-V37 HydrophobicContact CD1-CG1 3.59Å; L27-L39 HydrophobicContact CB-CD2 4.32Å; L27-L39 HydrophobicContact CD1-CD2 3.95Å
28Y96.4Very high96.5Very high121 Ų12161.7 Ų61.748%0.47532%0.324SS..EExtended strand (participates in β ladder)trans-92.7-57.8-179.7-178.3-112.9000111.2I26 A38 Y65I26-Y28 PolarHBondContact O-N 3.37Å; Y28-A38 WeakPolarHBondContact CB-O 3.48Å; Y28-A38 HydrophobicContact CD1-CB 4.28Å; Y28-A38 PolarHBondContact N-O 2.87Å; Y28-Y65 HydrophobicContact CD1-CD1 4.14Å; Y28-Y65 AromaticContact CD1-CE1 3.72Å; Y28-Y65 HydrophobicContact CD1-CE1 3.72Å; Y28-Y65 AromaticContact CD2-CE1 3.76Å; Y28-Y65 HydrophobicContact CD2-CE1 3.76Å; Y28-Y65 AromaticContact CE1-CE1 3.92Å; Y28-Y65 HydrophobicContact CE1-CE1 3.92Å; Y28-Y65 AromaticContact CE2-CE1 3.96Å; Y28-Y65 HydrophobicContact CE2-CE1 3.96Å; Y28-Y65 HydrophobicContact CG-CD1 4.23Å; Y28-Y65 AromaticContact CG-CE1 3.63Å; Y28-Y65 HydrophobicContact CG-CE1 3.63Å
29T95.6Very high96.6Very high67 Ų6755 Ų5541%0.41130%0.295SS..EExtended strand (participates in β ladder)trans-144.215717653.50000111A38T29-A38 PolarHBondContact N-O 2.89Å; T29-A38 PolarHBondContact O-N 3.01Å; T29-A38 WeakPolarHBondContact OG1-CB 3.44Å
30I95Very high96.7Very high76 Ų7653.1 Ų53.139%0.3928%0.279SS..EExtended strand (participates in β ladder)trans-119.8132.9164.3-59.4177.2000106.3I9 L27 T32I9-I30 HydrophobicContact CD1-CG1 4.46Å; L27-I30 HydrophobicContact CD1-CG1 3.9Å; L27-I30 HydrophobicContact CD2-CD1 3.9Å; L27-I30 HydrophobicContact CD2-CG1 4.07Å; L27-I30 HydrophobicContact CG-CG1 4.43Å; I30-T32 HydrophobicContact CG2-CG2 4.3Å
31D95.3Very high96.7Very high51 Ų5158.9 Ų58.927%0.27330%0.304SS..EExtended strand (participates in β ladder)trans-110.2111.4169.8178.1-20.1000107.7E33 N34 S35 T36D31-E33 PolarHBondContact OD1-N 2.96Å; D31-N34 PolarHBondContact OD1-N 3.42Å; D31-N34 WeakPolarHBondContact OD2-CB 3.46Å; D31-N34 PolarHBondContact OD2-ND2 3.07Å; D31-S35 CarbonylContact O-C 3.58Å; D31-S35 VanDerWaalsContact O-CA 3.23Å; D31-S35 WeakPolarHBondContact O-CA 3.41Å; D31-S35 PolarHBondContact O-N 3.33Å; D31-S35 VanDerWaalsContact O-N 3.15Å; D31-T36 PolarHBondContact N-O 2.77Å; D31-T36 PolarHBondContact O-N 3.5Å
32T93.9Very high96.7Very high119 Ų11958 Ų5873%0.7330%0.299SS*.THydrogen-bonded Turntrans-80.5-21.2-179.544.90000113.4I30I30-T32 HydrophobicContact CG2-CG2 4.3Å
33E96Very high96.7Very high174 Ų17460.6 Ų60.681%0.81331%0.309SS*.THydrogen-bonded Turntrans-79.8-53.2-177.7-62.9178.5-171.600109.8D31 S35D31-E33 PolarHBondContact OD1-N 2.96Å; E33-S35 PolarHBondContact O-N 2.88Å
34N95Very high96.7Very high115 Ų11559.1 Ų59.162%0.61531%0.305SS*.THydrogen-bonded Turntrans-79.8-2.9174-62.6-71.6000112.8D31 T36D31-N34 PolarHBondContact OD1-N 3.42Å; D31-N34 WeakPolarHBondContact OD2-CB 3.46Å; D31-N34 PolarHBondContact OD2-ND2 3.07Å; N34-T36 HydrophobicContact CB-CG2 3.99Å; N34-T36 WeakPolarHBondContact O-CG2 3.16Å; N34-T36 PolarHBondContact O-N 3.33Å
35S96.8Very high96.7Very high76 Ų7659.1 Ų59.153%0.53130%0.304SS..THydrogen-bonded Turntrans51.652-175.5-66.20000112.5D31 E33 G70D31-S35 CarbonylContact O-C 3.58Å; D31-S35 VanDerWaalsContact O-CA 3.23Å; D31-S35 WeakPolarHBondContact O-CA 3.41Å; D31-S35 PolarHBondContact O-N 3.33Å; D31-S35 VanDerWaalsContact O-N 3.15Å; E33-S35 PolarHBondContact O-N 2.88Å; S35-G70 PolarHBondContact O-N 3.37Å
36T96.8Very high96.7Very high30 Ų3058.9 Ų58.918%0.18430%0.302CS..EExtended strand (participates in β ladder)trans-122.1156.1179.379.50000113.2D31 N34 F68 R69D31-T36 PolarHBondContact N-O 2.77Å; D31-T36 PolarHBondContact O-N 3.5Å; N34-T36 HydrophobicContact CB-CG2 3.99Å; N34-T36 WeakPolarHBondContact O-CG2 3.16Å; N34-T36 PolarHBondContact O-N 3.33Å; T36-F68 CarbonylContact C-O 3.48Å; T36-F68 VanDerWaalsContact CA-O 3.28Å; T36-F68 WeakPolarHBondContact CA-O 3.25Å; T36-F68 WeakPolarHBondContact CB-O 3.25Å; T36-R69 HydrophobicContact CG2-CG 4.29Å
37V97Very high96.6Very high19 Ų1956 Ų5612%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-130.1118.9179.7179.30000108.3L27 L39 F68 I73L27-V37 HydrophobicContact CD1-CG1 3.59Å; V37-L39 HydrophobicContact CG1-CD2 4Å; V37-L39 HydrophobicContact CG1-CG 4.46Å; V37-F68 PolarHBondContact N-O 2.85Å; V37-F68 PolarHBondContact O-N 3.46Å; V37-I73 HydrophobicContact CG2-CD1 4.4Å
38A97.4Very high96.4Very high9 Ų959 Ų597%0.07430%0.301CS..EExtended strand (participates in β ladder)trans-94.7121173.300000109.9Y28 T29 I67Y28-A38 WeakPolarHBondContact CB-O 3.48Å; Y28-A38 HydrophobicContact CD1-CB 4.28Å; Y28-A38 PolarHBondContact N-O 2.87Å; T29-A38 PolarHBondContact N-O 2.89Å; T29-A38 PolarHBondContact O-N 3.01Å; T29-A38 WeakPolarHBondContact OG1-CB 3.44Å; A38-I67 HydrophobicContact CB-CG1 4.31Å
39L98Very high96.2Very high0 Ų061.3 Ų61.30%032%0.322CS..EExtended strand (participates in β ladder)trans-103138.2169.5-59-173.3000109.5I13 L15 I26 L27 V37 V42 Y65 I66 F68I13-L39 HydrophobicContact CB-CD1 4.33Å; I13-L39 HydrophobicContact CB-CD2 3.98Å; I13-L39 HydrophobicContact CG1-CD2 3.87Å; I13-L39 HydrophobicContact CG2-CD1 4.4Å; I13-L39 HydrophobicContact CG2-CD2 4.4Å; L15-L39 HydrophobicContact CB-CD1 4.27Å; L15-L39 HydrophobicContact CD1-CD1 4.11Å; I26-L39 CarbonylContact O-C 3.55Å; I26-L39 WeakPolarHBondContact O-CA 3.22Å; L27-L39 HydrophobicContact CB-CD2 4.32Å; L27-L39 HydrophobicContact CD1-CD2 3.95Å; V37-L39 HydrophobicContact CG1-CD2 4Å; V37-L39 HydrophobicContact CG1-CG 4.46Å; L39-V42 VanDerWaalsContact C-CG2 3.43Å; L39-V42 HydrophobicContact CB-CG2 3.52Å; L39-V42 WeakPolarHBondContact O-CG2 3.4Å; L39-Y65 CarbonylContact O-C 3.59Å; L39-Y65 VanDerWaalsContact O-CA 3.31Å; L39-Y65 WeakPolarHBondContact O-CA 3.41Å; L39-I66 PolarHBondContact N-O 2.85Å; L39-I66 PolarHBondContact O-N 3.19Å; L39-F68 HydrophobicContact CB-CE2 4.5Å; L39-F68 HydrophobicContact CD1-CD2 4.38Å; L39-F68 HydrophobicContact CD1-CE2 3.98Å; L39-F68 HydrophobicContact CG-CD2 4.35Å; L39-F68 HydrophobicContact CG-CE2 4.25Å
40A98Very high96.2Very high13 Ų1360.5 Ų60.511%0.10731%0.311CS..EExtended strand (participates in β ladder)trans-101.1152.8173.200000111.6I26 V42 E64 Y65I26-A40 PolarHBondContact N-O 2.79Å; I26-A40 PolarHBondContact O-N 2.84Å; A40-V42 VanDerWaalsContact C-N 3.34Å; A40-V42 PolarHBondContact O-N 2.99Å; A40-E64 CarbonylContact C-O 3.58Å; A40-E64 VanDerWaalsContact CA-O 3.22Å; A40-E64 WeakPolarHBondContact CA-O 3.03Å; A40-Y65 HydrophobicContact CB-CD1 3.94Å; A40-Y65 HydrophobicContact CB-CE1 3.73Å
41K97.6Very high96Very high156 Ų15662.9 Ų62.968%0.67833%0.331SS*.EExtended strand (participates in β ladder)trans51.251.5177.6-61.6177.3-179.6174.50112V62 F63 E64K41-V62 HydrophobicContact CB-CG1 4.24Å; K41-F63 CarbonylContact C-O 3.48Å; K41-F63 VanDerWaalsContact CA-O 3.31Å; K41-F63 WeakPolarHBondContact CA-O 3.4Å; K41-F63 PolarHBondContact N-O 2.77Å; K41-E64 PolarHBondContact N-O 2.87Å
42V98.1Very high95.9Very high0 Ų062.7 Ų62.70%033%0.332CS..EExtended strand (participates in β ladder)trans-89.4131.7-167.6-161.80000110.9Y23 E24 L39 A40 V62 F63 I66Y23-V42 HydrophobicContact CD1-CG1 4.2Å; E24-V42 CarbonylContact O-C 3.57Å; E24-V42 VanDerWaalsContact O-CA 3.3Å; E24-V42 WeakPolarHBondContact O-CA 3.43Å; L39-V42 VanDerWaalsContact C-CG2 3.43Å; L39-V42 HydrophobicContact CB-CG2 3.52Å; L39-V42 WeakPolarHBondContact O-CG2 3.4Å; A40-V42 VanDerWaalsContact C-N 3.34Å; A40-V42 PolarHBondContact O-N 2.99Å; V42-V62 CarbonylContact O-C 3.54Å; V42-V62 WeakPolarHBondContact O-CA 3.48Å; V42-F63 PolarHBondContact N-O 2.82Å; V42-F63 PolarHBondContact O-N 3.28Å; V42-I66 HydrophobicContact CB-CB 4.49Å; V42-I66 HydrophobicContact CB-CD1 3.8Å; V42-I66 HydrophobicContact CB-CG1 3.95Å; V42-I66 HydrophobicContact CG1-CD1 3.83Å; V42-I66 HydrophobicContact CG1-CG1 4.34Å; V42-I66 HydrophobicContact CG2-CB 4.11Å; V42-I66 HydrophobicContact CG2-CD1 4.36Å; V42-I66 HydrophobicContact CG2-CG1 3.98Å
43R97.9Very high95.9Very high93 Ų9364.6 Ų64.635%0.35133%0.333SS..EExtended strand (participates in β ladder)trans-121138.2174.1-167.5174.165.9-177.31.8110.9Y23 E24 R59 V62Y23-R43 WeakPolarHBondContact CA-O 3.41Å; E24-R43 PolarHBondContact N-O 3.17Å; E24-R43 PolarHBondContact O-N 2.77Å; R43-R59 WeakPolarHBondContact CD-O 3.46Å; R43-R59 WeakPolarHBondContact CG-O 3.37Å; R43-V62 HydrophobicContact CB-CG2 4.38Å; R43-V62 HydrophobicContact CG-CG2 4.47Å
44S97.3Very high95.7Very high9 Ų964.9 Ų64.96%0.06333%0.326CS..EExtended strand (participates in β ladder)trans-92.8127.6178.7-178.40000111.7I21 G46 R59I21-S44 VanDerWaalsContact CG2-OG 3.27Å; I21-S44 WeakPolarHBondContact CG2-OG 3.5Å; S44-G46 PolarHBondContact OG-N 3.28Å; S44-R59 PolarHBondContact O-N 3.45Å
45F97.1Very high95.7Very high36 Ų3664.1 Ų64.116%0.15833%0.328CS..EExtended strand (participates in β ladder)trans-93.71.2173.3-70.2-105.9000112.1R22 E24 E48 P58R22-F45 HydrophobicContact CB-CB 4.43Å; R22-F45 VanDerWaalsContact NH2-CD1 3.25Å; R22-F45 PolarHBondContact O-N 3.11Å; E24-F45 HydrophobicContact CB-CE2 3.78Å; E24-F45 HydrophobicContact CG-CD2 4.02Å; E24-F45 HydrophobicContact CG-CE2 3.43Å; E24-F45 VanDerWaalsContact CG-CE2 3.43Å; E24-F45 HydrophobicContact CG-CZ 4.04Å; E24-F45 WeakPolarHBondContact OE2-CE2 3.41Å; E24-F45 WeakPolarHBondContact OE2-CZ 3.33Å; F45-E48 HydrophobicContact CB-CG 4.25Å; F45-E48 WeakPolarHBondContact O-CG 3.42Å; F45-P58 WeakPolarHBondContact O-CG 3.35Å
46G96.6Very high95.6Very high0 Ų063.1 Ų63.10%032%0.316CS..EExtended strand (participates in β ladder)trans71.6-157.4-178.900000112.9I21 R22 S44 E48 R50 I56I21-G46 WeakPolarHBondContact CA-O 3.13Å; R22-G46 PolarHBondContact N-O 3Å; S44-G46 PolarHBondContact OG-N 3.28Å; G46-E48 VanDerWaalsContact C-N 3.34Å; G46-R50 PolarHBondContact O-NH2 3.18Å; G46-I56 CarbonylContact C-O 3.55Å; G46-I56 WeakPolarHBondContact CA-O 3.11Å
47T96.1Very high95.6Very high4 Ų466 Ų663%0.02534%0.336CS..THydrogen-bonded Turntrans-79.2-17.6179.8530000113.2I21 D49 R50 T52 P55 I56I21-T47 HydrophobicContact CG1-CG2 4.49Å; T47-D49 PolarHBondContact O-N 2.89Å; T47-R50 VanDerWaalsContact C-NH2 3.31Å; T47-R50 WeakPolarHBondContact O-CB 3.32Å; T47-R50 PolarHBondContact O-N 3.45Å; T47-R50 PolarHBondContact O-NE 2.75Å; T47-R50 PolarHBondContact O-NH2 2.86Å; T47-R50 VanDerWaalsContact O-NH2 3.08Å; T47-T52 HydrophobicContact CG2-CG2 3.8Å; T47-P55 WeakPolarHBondContact OG1-CA 3.31Å; T47-I56 HydrophobicContact CG2-CB 4.19Å; T47-I56 PolarHBondContact N-O 3.12Å; T47-I56 PolarHBondContact OG1-N 2.97Å; T47-I56 PolarHBondContact OG1-O 2.92Å
48E93.6Very high95.5Very high70 Ų7069.4 Ų69.433%0.32736%0.358SS..THydrogen-bonded Turntrans48.1-133.3-173.4-59.6167.8129.600109.7R22 F45 G46 R50R22-E48 WeakPolarHBondContact CD-OE2 3.31Å; R22-E48 IonicContact CZ-OE1 2.55Å; R22-E48 IonicContact CZ-OE2 2.67Å; R22-E48 IonicContact NE-OE1 2.72Å; R22-E48 PolarHBondContact NE-OE1 3.27Å; R22-E48 VanDerWaalsContact NE-OE1 3.11Å; R22-E48 IonicContact NE-OE2 2.82Å; R22-E48 PolarHBondContact NE-OE2 3.31Å; R22-E48 IonicContact NH2-OE1 2.65Å; R22-E48 PolarHBondContact NH2-OE1 2.98Å; R22-E48 IonicContact NH2-OE2 2.64Å; F45-E48 HydrophobicContact CB-CG 4.25Å; F45-E48 WeakPolarHBondContact O-CG 3.42Å; G46-E48 VanDerWaalsContact C-N 3.34Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 2.88Å; E48-R50 IonicContact OE2-CZ 2.85Å; E48-R50 VanDerWaalsContact OE2-CZ 3.23Å; E48-R50 IonicContact OE2-NH1 3.91Å; E48-R50 PolarHBondContact OE2-NH1 2.85Å; E48-R50 IonicContact OE2-NH2 3.21Å; E48-R50 PolarHBondContact OE2-NH2 3.35Å
49D91.6Very high95.4Very high170 Ų17075.1 Ų75.191%0.90938%0.377SS*.THydrogen-bonded Turntrans-8510.2179-53.4-62.2000114.2T47T47-D49 PolarHBondContact O-N 2.89Å
50R95Very high95.3Very high51 Ų5181.9 Ų81.919%0.19241%0.414CS..SBendtrans-80.5132-177.8-68.1173.3-69.3-77.4-7.5111.6E20 R22 G46 T47 E48 T52E20-R50 HydrophobicContact CB-CB 3.85Å; E20-R50 HydrophobicContact CG-CB 4.31Å; E20-R50 PolarHBondContact O-NE 2.73Å; E20-R50 PolarHBondContact O-NH2 2.95Å; E20-R50 VanDerWaalsContact O-NH2 3.1Å; R22-R50 VanDerWaalsContact CB-NH2 3.28Å; G46-R50 PolarHBondContact O-NH2 3.18Å; T47-R50 VanDerWaalsContact C-NH2 3.31Å; T47-R50 WeakPolarHBondContact O-CB 3.32Å; T47-R50 PolarHBondContact O-N 3.45Å; T47-R50 PolarHBondContact O-NE 2.75Å; T47-R50 PolarHBondContact O-NH2 2.86Å; T47-R50 VanDerWaalsContact O-NH2 3.08Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 2.88Å; E48-R50 IonicContact OE2-CZ 2.85Å; E48-R50 VanDerWaalsContact OE2-CZ 3.23Å; E48-R50 IonicContact OE2-NH1 3.91Å; E48-R50 PolarHBondContact OE2-NH1 2.85Å; E48-R50 IonicContact OE2-NH2 3.21Å; E48-R50 PolarHBondContact OE2-NH2 3.35Å; R50-T52 PolarHBondContact O-N 2.81Å
51P91.9Very high95.2Very high125 Ų12586.1 Ų86.181%0.81243%0.431SS*.  trans-67.5123.2-176.327.7-34.6000111.3
52T93.2Very high95.2Very high48 Ų4882.9 Ų82.929%0.29442%0.424SS..  trans-144.7154.2-178.445.30000111E20 T47 R50 R54E20-T52 HydrophobicContact CB-CG2 3.53Å; E20-T52 HydrophobicContact CG-CG2 3.5Å; E20-T52 VanDerWaalsContact CG-CG2 3.5Å; T47-T52 HydrophobicContact CG2-CG2 3.8Å; R50-T52 PolarHBondContact O-N 2.81Å; T52-R54 PolarHBondContact O-N 2.89Å
53E92.1Very high95.2Very high158 Ų15886 Ų8674%0.73844%0.438SS*.SBendtrans-62.5-33.3168.6-173.2-160124.600111.5
54R93.3Very high95.2Very high180 Ų18088.3 Ų88.368%0.67945%0.453SS*.SBendtrans-131.686.6-171.7-59.7-176.9-166.6-173.65.9109.7T52 I56T52-R54 PolarHBondContact O-N 2.89Å; R54-I56 PolarHBondContact O-N 3.39Å
55P94Very high95.2Very high100 Ų10093 Ų9365%0.64947%0.47SS*.  trans-64135.717726.2-34.2000110.5T47T47-P55 WeakPolarHBondContact OG1-CA 3.31Å
56I95.7Very high95.2Very high55 Ų5593.1 Ų93.128%0.28247%0.472SS..  trans-119.8127.4-178.3-67.8164.3000107.8I21 G46 T47 R54I21-I56 HydrophobicContact CD1-CD1 3.54Å; I21-I56 HydrophobicContact CG1-CD1 3.98Å; G46-I56 CarbonylContact C-O 3.55Å; G46-I56 WeakPolarHBondContact CA-O 3.11Å; T47-I56 HydrophobicContact CG2-CB 4.19Å; T47-I56 PolarHBondContact N-O 3.12Å; T47-I56 PolarHBondContact OG1-N 2.97Å; T47-I56 PolarHBondContact OG1-O 2.92Å; R54-I56 PolarHBondContact O-N 3.39Å
57P95.8Very high95.3Very high91 Ų9198.9 Ų98.959%0.59150%0.501SS*.  trans-72.9160.3177.531.1-35.8000111.9
58P96.2Very high95.4Very high89 Ų8999.3 Ų99.358%0.57850%0.503SS*.  trans-53.7149.9166.6-21.430.6000112.2F45F45-P58 WeakPolarHBondContact O-CG 3.35Å
59R95.4Very high95.6Very high129 Ų129102.6 Ų102.649%0.48751%0.512SS..  trans-123.8133.6172.2-62-172.1-177.1-170.72.8110R43 S44 E61R43-R59 WeakPolarHBondContact CD-O 3.46Å; R43-R59 WeakPolarHBondContact CG-O 3.37Å; S44-R59 PolarHBondContact O-N 3.45Å; R59-E61 HydrophobicContact CB-CB 4.26Å; R59-E61 IonicContact NH1-OE2 2.93Å; R59-E61 PolarHBondContact NH1-OE2 3.3Å; R59-E61 PolarHBondContact O-N 2.54Å
60D94.1Very high95.8Very high143 Ų14396.4 Ų96.477%0.76549%0.488SS*.  trans-76.6-9.8172.5-70.9-50.5000113.3V62D60-V62 PolarHBondContact O-N 3.21Å
61E96.9Very high96Very high101 Ų10197.2 Ų97.247%0.47250%0.501SS..  trans-58.2123.3173.1-173.5174.8-152.200111.4R59 F63R59-E61 HydrophobicContact CB-CB 4.26Å; R59-E61 IonicContact NH1-OE2 2.93Å; R59-E61 PolarHBondContact NH1-OE2 3.3Å; R59-E61 PolarHBondContact O-N 2.54Å; E61-F63 HydrophobicContact CB-CE2 4.4Å; E61-F63 HydrophobicContact CB-CZ 4.47Å; E61-F63 HydrophobicContact CG-CE1 4.08Å; E61-F63 HydrophobicContact CG-CE2 3.97Å; E61-F63 HydrophobicContact CG-CZ 3.69Å; E61-F63 VanDerWaalsContact OE2-CZ 3.25Å; E61-F63 WeakPolarHBondContact OE2-CZ 3.28Å
62V97.4Very high96.3Very high88 Ų8894.1 Ų94.153%0.53348%0.478SS..EExtended strand (participates in β ladder)trans-107.8112.1177.3-1780000108.8K41 V42 R43 D60K41-V62 HydrophobicContact CB-CG1 4.24Å; V42-V62 CarbonylContact O-C 3.54Å; V42-V62 WeakPolarHBondContact O-CA 3.48Å; R43-V62 HydrophobicContact CB-CG2 4.38Å; R43-V62 HydrophobicContact CG-CG2 4.47Å; D60-V62 PolarHBondContact O-N 3.21Å
63F97.7Very high96.5Very high66 Ų6693.2 Ų93.229%0.28947%0.471SS..EExtended strand (participates in β ladder)trans-79.1135175.5-59.1-84.6000109.5K41 V42 E61 Y65 I66K41-F63 CarbonylContact C-O 3.48Å; K41-F63 VanDerWaalsContact CA-O 3.31Å; K41-F63 WeakPolarHBondContact CA-O 3.4Å; K41-F63 PolarHBondContact N-O 2.77Å; V42-F63 PolarHBondContact N-O 2.82Å; V42-F63 PolarHBondContact O-N 3.28Å; E61-F63 HydrophobicContact CB-CE2 4.4Å; E61-F63 HydrophobicContact CB-CZ 4.47Å; E61-F63 HydrophobicContact CG-CE1 4.08Å; E61-F63 HydrophobicContact CG-CE2 3.97Å; E61-F63 HydrophobicContact CG-CZ 3.69Å; E61-F63 VanDerWaalsContact OE2-CZ 3.25Å; E61-F63 WeakPolarHBondContact OE2-CZ 3.28Å; F63-Y65 PolarHBondContact O-N 2.9Å; F63-I66 HydrophobicContact CB-CD1 3.92Å; F63-I66 HydrophobicContact CB-CG1 3.73Å; F63-I66 HydrophobicContact CD2-CD1 3.81Å; F63-I66 HydrophobicContact CG-CD1 3.93Å; F63-I66 HydrophobicContact CG-CG1 4.19Å
64E97.8Very high96.7Very high141 Ų14191.5 Ų91.566%0.65946%0.461SS*.EExtended strand (participates in β ladder)trans-63.2-44.5-178.4-163.5-176.9167.700111.2A40 K41A40-E64 CarbonylContact C-O 3.58Å; A40-E64 VanDerWaalsContact CA-O 3.22Å; A40-E64 WeakPolarHBondContact CA-O 3.03Å; K41-E64 PolarHBondContact N-O 2.87Å
65Y97.4Very high96.9Very high109 Ų10986.4 Ų86.443%0.42745%0.448SS..EExtended strand (participates in β ladder)trans-138.8145.7172.1-64.2-83.4000111.1Y28 L39 A40 F63Y28-Y65 HydrophobicContact CD1-CD1 4.14Å; Y28-Y65 AromaticContact CD1-CE1 3.72Å; Y28-Y65 HydrophobicContact CD1-CE1 3.72Å; Y28-Y65 AromaticContact CD2-CE1 3.76Å; Y28-Y65 HydrophobicContact CD2-CE1 3.76Å; Y28-Y65 AromaticContact CE1-CE1 3.92Å; Y28-Y65 HydrophobicContact CE1-CE1 3.92Å; Y28-Y65 AromaticContact CE2-CE1 3.96Å; Y28-Y65 HydrophobicContact CE2-CE1 3.96Å; Y28-Y65 HydrophobicContact CG-CD1 4.23Å; Y28-Y65 AromaticContact CG-CE1 3.63Å; Y28-Y65 HydrophobicContact CG-CE1 3.63Å; L39-Y65 CarbonylContact O-C 3.59Å; L39-Y65 VanDerWaalsContact O-CA 3.31Å; L39-Y65 WeakPolarHBondContact O-CA 3.41Å; A40-Y65 HydrophobicContact CB-CD1 3.94Å; A40-Y65 HydrophobicContact CB-CE1 3.73Å; F63-Y65 PolarHBondContact O-N 2.9Å
66I97.8Very high97Very high38 Ų3885.1 Ų85.120%0.19544%0.435CS..EExtended strand (participates in β ladder)trans-133.8131.9162.8-54.8-176.9000108.2Y23 L39 V42 F63 F68Y23-I66 HydrophobicContact CD1-CD1 4.25Å; Y23-I66 HydrophobicContact CE1-CD1 4.31Å; L39-I66 PolarHBondContact N-O 2.85Å; L39-I66 PolarHBondContact O-N 3.19Å; V42-I66 HydrophobicContact CB-CB 4.49Å; V42-I66 HydrophobicContact CB-CD1 3.8Å; V42-I66 HydrophobicContact CB-CG1 3.95Å; V42-I66 HydrophobicContact CG1-CD1 3.83Å; V42-I66 HydrophobicContact CG1-CG1 4.34Å; V42-I66 HydrophobicContact CG2-CB 4.11Å; V42-I66 HydrophobicContact CG2-CD1 4.36Å; V42-I66 HydrophobicContact CG2-CG1 3.98Å; F63-I66 HydrophobicContact CB-CD1 3.92Å; F63-I66 HydrophobicContact CB-CG1 3.73Å; F63-I66 HydrophobicContact CD2-CD1 3.81Å; F63-I66 HydrophobicContact CG-CD1 3.93Å; F63-I66 HydrophobicContact CG-CG1 4.19Å; I66-F68 HydrophobicContact CB-CE2 3.83Å; I66-F68 HydrophobicContact CB-CZ 4.21Å; I66-F68 HydrophobicContact CG2-CD2 4.09Å; I66-F68 HydrophobicContact CG2-CE1 4.19Å; I66-F68 HydrophobicContact CG2-CE2 3.53Å; I66-F68 HydrophobicContact CG2-CZ 3.6Å
67I97.8Very high97Very high120 Ų12085.5 Ų85.562%0.61544%0.44SS*.EExtended strand (participates in β ladder)trans-99.9125.8174.3-56.4173.7000108.5A38A38-I67 HydrophobicContact CB-CG1 4.31Å
68F98.3Very high96.9Very high14 Ų1484.3 Ų84.36%0.06143%0.431CS..EExtended strand (participates in β ladder)trans-109.2131.8174-63.2-90.9000109.4L15 Y23 T36 V37 L39 I66 I73L15-F68 HydrophobicContact CD1-CB 4.2Å; L15-F68 HydrophobicContact CD1-CD1 4.27Å; L15-F68 HydrophobicContact CD1-CD2 3.8Å; L15-F68 HydrophobicContact CD1-CE2 4.22Å; L15-F68 HydrophobicContact CD1-CG 3.83Å; L15-F68 HydrophobicContact CD2-CD1 3.74Å; L15-F68 HydrophobicContact CD2-CE1 3.7Å; L15-F68 HydrophobicContact CD2-CE2 4.48Å; L15-F68 HydrophobicContact CD2-CG 4.16Å; L15-F68 HydrophobicContact CD2-CZ 4.09Å; Y23-F68 AromaticContact CD1-CZ 3.97Å; Y23-F68 HydrophobicContact CD1-CZ 3.97Å; Y23-F68 AromaticContact CD2-CE1 3.79Å; Y23-F68 HydrophobicContact CD2-CE1 3.79Å; Y23-F68 AromaticContact CD2-CZ 3.77Å; Y23-F68 HydrophobicContact CD2-CZ 3.77Å; Y23-F68 HydrophobicContact CE1-CZ 4.29Å; Y23-F68 AromaticContact CE2-CE1 3.79Å; Y23-F68 HydrophobicContact CE2-CE1 3.79Å; Y23-F68 HydrophobicContact CE2-CZ 4.12Å; Y23-F68 HydrophobicContact CG-CE1 4.2Å; Y23-F68 AromaticContact CG-CZ 3.69Å; Y23-F68 HydrophobicContact CG-CZ 3.69Å; T36-F68 CarbonylContact C-O 3.48Å; T36-F68 VanDerWaalsContact CA-O 3.28Å; T36-F68 WeakPolarHBondContact CA-O 3.25Å; T36-F68 WeakPolarHBondContact CB-O 3.25Å; V37-F68 PolarHBondContact N-O 2.85Å; V37-F68 PolarHBondContact O-N 3.46Å; L39-F68 HydrophobicContact CB-CE2 4.5Å; L39-F68 HydrophobicContact CD1-CD2 4.38Å; L39-F68 HydrophobicContact CD1-CE2 3.98Å; L39-F68 HydrophobicContact CG-CD2 4.35Å; L39-F68 HydrophobicContact CG-CE2 4.25Å; I66-F68 HydrophobicContact CB-CE2 3.83Å; I66-F68 HydrophobicContact CB-CZ 4.21Å; I66-F68 HydrophobicContact CG2-CD2 4.09Å; I66-F68 HydrophobicContact CG2-CE1 4.19Å; I66-F68 HydrophobicContact CG2-CE2 3.53Å; I66-F68 HydrophobicContact CG2-CZ 3.6Å; F68-I73 HydrophobicContact CB-CD1 4.06Å; F68-I73 HydrophobicContact CB-CG1 4.08Å
69R98.3Very high96.5Very high139 Ų13982 Ų8253%0.52542%0.416SS..EExtended strand (participates in β ladder)trans-79.2141.6165.5-55.5178.5-59.7174.87.1108.5T36 S71 D72 I73T36-R69 HydrophobicContact CG2-CG 4.29Å; R69-S71 PolarHBondContact O-N 3.1Å; R69-S71 VanDerWaalsContact O-N 3.1Å; R69-D72 IonicContact CZ-OD1 3.94Å; R69-D72 IonicContact CZ-OD2 2.73Å; R69-D72 IonicContact NE-OD2 3.49Å; R69-D72 PolarHBondContact NE-OD2 3.45Å; R69-D72 VanDerWaalsContact NH2-CG 3.28Å; R69-D72 IonicContact NH2-OD1 3.82Å; R69-D72 PolarHBondContact NH2-OD1 3.34Å; R69-D72 IonicContact NH2-OD2 2.73Å; R69-D72 PolarHBondContact NH2-OD2 3.14Å; R69-D72 PolarHBondContact O-N 2.94Å; R69-I73 PolarHBondContact O-N 3.48Å
70G97Very high95.8Very high39 Ų3982.1 Ų82.140%0.40242%0.422SS..G310 helixtrans-56.2-28.917700000113.1S35 D72 I73S35-G70 PolarHBondContact O-N 3.37Å; G70-D72 VanDerWaalsContact C-N 3.27Å; G70-D72 PolarHBondContact O-N 3.44Å; G70-I73 PolarHBondContact O-N 2.84Å
71S98Very high94.6Very high68 Ų6880.2 Ų80.248%0.47642%0.418SS..G310 helixtrans-68.5-15.8173.753.80000115.1K18 R69K18-S71 WeakPolarHBondContact CD-O 3.22Å; K18-S71 WeakPolarHBondContact CE-O 3.46Å; K18-S71 PolarHBondContact NZ-O 2.8Å; R69-S71 PolarHBondContact O-N 3.1Å; R69-S71 VanDerWaalsContact O-N 3.1Å
72D97.3Very high93Very high61 Ų6181.3 Ų81.333%0.32643%0.434SS..G310 helixtrans-104.2-6177.8-58.5-45000113.1S17 K18 R69 G70S17-D72 CarbonylContact C-O 3.48Å; S17-D72 WeakPolarHBondContact CA-O 3.4Å; K18-D72 PolarHBondContact N-O 3.42Å; R69-D72 IonicContact CZ-OD1 3.94Å; R69-D72 IonicContact CZ-OD2 2.73Å; R69-D72 IonicContact NE-OD2 3.49Å; R69-D72 PolarHBondContact NE-OD2 3.45Å; R69-D72 VanDerWaalsContact NH2-CG 3.28Å; R69-D72 IonicContact NH2-OD1 3.82Å; R69-D72 PolarHBondContact NH2-OD1 3.34Å; R69-D72 IonicContact NH2-OD2 2.73Å; R69-D72 PolarHBondContact NH2-OD2 3.14Å; R69-D72 PolarHBondContact O-N 2.94Å; G70-D72 VanDerWaalsContact C-N 3.27Å; G70-D72 PolarHBondContact O-N 3.44Å
73I97.4Very high91.1Very high29 Ų2983.7 Ų83.715%0.14944%0.437CS..EExtended strand (participates in β ladder)trans-83.2145.3176.2-59.2175.4000109.4L15 V37 F68 R69 G70 L76L15-I73 HydrophobicContact CD1-CD1 3.82Å; L15-I73 HydrophobicContact CD1-CG1 4.07Å; L15-I73 HydrophobicContact CD2-CG1 4.36Å; L15-I73 HydrophobicContact CG-CG1 4.36Å; L15-I73 HydrophobicContact CG-CG2 4.31Å; V37-I73 HydrophobicContact CG2-CD1 4.4Å; F68-I73 HydrophobicContact CB-CD1 4.06Å; F68-I73 HydrophobicContact CB-CG1 4.08Å; R69-I73 PolarHBondContact O-N 3.48Å; G70-I73 PolarHBondContact O-N 2.84Å; I73-L76 HydrophobicContact CD1-CD1 4.38Å; I73-L76 HydrophobicContact CG2-CB 4.31Å
74K97.4Very high89Confident122 Ų12285 Ų8553%0.5346%0.46SS..EExtended strand (participates in β ladder)trans-112.5-41.3171.5179.7-177.6173.2-176.70111.8I16 K18 E20I16-K74 WeakPolarHBondContact O-CB 3.34Å; I16-K74 PolarHBondContact O-N 3.42Å; K18-K74 HydrophobicContact CG-CB 4.48Å; E20-K74 WeakPolarHBondContact OE1-CD 3.5Å; E20-K74 IonicContact OE1-NZ 2.62Å; E20-K74 PolarHBondContact OE1-NZ 3.21Å; E20-K74 IonicContact OE2-NZ 2.7Å; E20-K74 PolarHBondContact OE2-NZ 3.41Å
75D96.8Very high86.7Confident73 Ų7384 Ų8439%0.3946%0.464SS..EExtended strand (participates in β ladder)trans-146.7149.5177.1177.636.1000110.2I16I16-D75 HydrophobicContact CB-CB 4.2Å; I16-D75 HydrophobicContact CD1-CB 4.41Å; I16-D75 HydrophobicContact CG1-CB 4.46Å; I16-D75 PolarHBondContact N-O 2.79Å; I16-D75 PolarHBondContact O-N 2.86Å; I16-D75 VanDerWaalsContact O-N 3.13Å
76L96.3Very high84.7Confident73 Ų7383.8 Ų83.838%0.38248%0.478SS..EExtended strand (participates in β ladder)trans-145.2113.7179-170.3163.3000109.1I13 L15 I73I13-L76 HydrophobicContact CD1-CD2 4.42Å; I13-L76 HydrophobicContact CG2-CD1 4.42Å; I13-L76 HydrophobicContact CG2-CD2 3.73Å; I13-L76 HydrophobicContact CG2-CG 3.74Å; L15-L76 HydrophobicContact CD1-CD1 4.32Å; I73-L76 HydrophobicContact CD1-CD1 4.38Å; I73-L76 HydrophobicContact CG2-CB 4.31Å
77T95.3Very high82.8Confident62 Ų6286.8 Ų86.838%0.3850%0.503SS..EExtended strand (participates in β ladder)trans-115129.5178.452.80000110.5S14 C79S14-T77 PolarHBondContact N-O 2.89Å; S14-T77 PolarHBondContact O-N 3.06Å; S14-T77 PolarHBondContact O-OG1 2.9Å; T77-C79 PolarHBondContact O-N 2.86Å
78V94.6Very high81.1Confident66 Ų6687.9 Ų87.940%0.451%0.509SS..EExtended strand (participates in β ladder)trans-78.2117.7169.3-174.50000107.6Y8 I13 E80Y8-V78 HydrophobicContact CD1-CG2 4.29Å; I13-V78 HydrophobicContact CD1-CB 4.31Å; I13-V78 HydrophobicContact CD1-CG1 4.27Å; I13-V78 HydrophobicContact CD1-CG2 3.9Å; V78-E80 PolarHBondContact O-N 2.9Å; V78-E80 VanDerWaalsContact O-N 3.17Å
79C87.6Confident79.3Confident41 Ų4192.8 Ų92.828%0.27754%0.542SS..EExtended strand (participates in β ladder)trans-76.3100.8170.1-570000108.2K12 T77K12-C79 HydrophobicContact CB-CB 4.12Å; K12-C79 HydrophobicContact CD-CB 4.33Å; K12-C79 HydrophobicContact CG-CB 4.27Å; K12-C79 WeakPolarHBondContact O-CB 3.25Å; K12-C79 PolarHBondContact O-N 3.41Å; T77-C79 PolarHBondContact O-N 2.86Å
80E81.1Confident77.6Confident131 Ų13192.4 Ų92.461%0.61255%0.546SS*.  trans-51.3132165.1-82.3-157.2143.400108.9V78 K83V78-E80 PolarHBondContact O-N 2.9Å; V78-E80 VanDerWaalsContact O-N 3.17Å; E80-K83 IonicContact OE1-NZ 3.66Å; E80-K83 PolarHBondContact OE1-NZ 2.77Å; E80-K83 IonicContact OE2-NZ 3.9Å; E80-K83 PolarHBondContact OE2-NZ 3.42Å
81P69.4Low76.2Confident103 Ų10394.2 Ų94.267%0.66955%0.547SS*.  trans-59.6138.9166.927.4-33.2000107.9K83P81-K83 PolarHBondContact O-N 2.91Å
82P61.7Low74.9Confident125 Ų12597.2 Ų97.281%0.81257%0.565SS**  trans-59109.2-177.923.8-33.4000108.9A84P82-A84 PolarHBondContact O-N 2.88Å; P82-A84 VanDerWaalsContact O-N 3.1Å
83K57.4Low73.3Confident137 Ų13798.2 Ų98.260%0.59658%0.581SS**  trans-49.3122.1175.8-68.4-174.617394.20107.2E80 P81 T85E80-K83 IonicContact OE1-NZ 3.66Å; E80-K83 PolarHBondContact OE1-NZ 2.77Å; E80-K83 IonicContact OE2-NZ 3.9Å; E80-K83 PolarHBondContact OE2-NZ 3.42Å; P81-K83 PolarHBondContact O-N 2.91Å; K83-T85 VanDerWaalsContact C-N 3.28Å; K83-T85 PolarHBondContact O-N 2.97Å
84A54.5Low71.7Confident93 Ų93102 Ų10277%0.76960%0.6SS**  trans-67.986.5-170.200000110.5P82 S86P82-A84 PolarHBondContact O-N 2.88Å; P82-A84 VanDerWaalsContact O-N 3.1Å; A84-S86 PolarHBondContact O-N 2.87Å
85T50.3Low69.9Low121 Ų121102.5 Ų102.574%0.74261%0.614SS**  trans-74.768.9177.442.70000109.8K83 S87K83-T85 VanDerWaalsContact C-N 3.28Å; K83-T85 PolarHBondContact O-N 2.97Å; T85-S87 PolarHBondContact O-N 2.84Å; T85-S87 PolarHBondContact O-OG 2.88Å
86S54.8Low67.8Low105 Ų105105.5 Ų105.573%0.73463%0.625SS**  trans-68.631166.855.60000112.7A84 L88A84-S86 PolarHBondContact O-N 2.87Å; S86-L88 PolarHBondContact O-N 3.46Å
87S57Low65.6Low101 Ų101106.8 Ų106.871%0.70664%0.64SS**  trans-6871.115859.60000108.9T85T85-S87 PolarHBondContact O-N 2.84Å; T85-S87 PolarHBondContact O-OG 2.88Å
88L62.5Low63.7Low142 Ų142109.5 Ų109.574%0.74366%0.662SS**  trans-49.1143.6153.8-68.1172.5000107.6S86 Q90S86-L88 PolarHBondContact O-N 3.46Å; L88-Q90 PolarHBondContact O-N 3.15Å; L88-Q90 VanDerWaalsContact O-N 3.13Å
89P61Low61.4Low118 Ų118114 Ų11477%0.76668%0.682SS**  trans-57124.9176.225.2-33.5000108.6D91P89-D91 PolarHBondContact O-N 3.36Å
90Q62.7Low59.2Low130 Ų130115.2 Ų115.261%0.60770%0.701SS**  trans-61.499.8179.9-170.981.86.600108.8L88 P92 Q96L88-Q90 PolarHBondContact O-N 3.15Å; L88-Q90 VanDerWaalsContact O-N 3.13Å; Q90-P92 WeakPolarHBondContact O-CD 3.42Å; Q90-Q96 VanDerWaalsContact NE2-NE2 3.12Å
91D67.1Low57.4Low78 Ų78115 Ų11542%0.41771%0.714SS.*  trans-70.6119.3179.7-175.8-14.2000108.9P89 A93 I94P89-D91 PolarHBondContact O-N 3.36Å; D91-A93 PolarHBondContact O-N 2.86Å; D91-A93 VanDerWaalsContact O-N 3.09Å; D91-A93 WeakPolarHBondContact OD1-CB 3.3Å; D91-A93 PolarHBondContact OD1-N 2.85Å; D91-I94 HydrophobicContact CB-CB 4.43Å; D91-I94 HydrophobicContact CB-CD1 3.9Å; D91-I94 HydrophobicContact CB-CG1 3.92Å; D91-I94 PolarHBondContact O-N 2.92Å
92P70.4Confident56Low131 Ų131115.2 Ų115.285%0.85172%0.719SS**THydrogen-bonded Turntrans-64.8-10.1179.228.1-35.9000113.7Q90Q90-P92 WeakPolarHBondContact O-CD 3.42Å
93A65.1Low55.1Low81 Ų81115.2 Ų115.267%0.66972%0.722SS**THydrogen-bonded Turntrans-81.4-17.2169.500000113.7D91 V95D91-A93 PolarHBondContact O-N 2.86Å; D91-A93 VanDerWaalsContact O-N 3.09Å; D91-A93 WeakPolarHBondContact OD1-CB 3.3Å; D91-A93 PolarHBondContact OD1-N 2.85Å; A93-V95 PolarHBondContact O-N 2.86Å
94I63Low54.1Low108 Ų108113.4 Ų113.455%0.55473%0.732SS**  trans-92.591180-58.3178.1000109.6D91 Q96D91-I94 HydrophobicContact CB-CB 4.43Å; D91-I94 HydrophobicContact CB-CD1 3.9Å; D91-I94 HydrophobicContact CB-CG1 3.92Å; D91-I94 PolarHBondContact O-N 2.92Å; I94-Q96 PolarHBondContact O-N 3.1Å; I94-Q96 VanDerWaalsContact O-N 3.14Å
95V59.5Low53.5Low133 Ų133114.1 Ų114.181%0.80674%0.738SS**  trans-64.9111.1164.6-177.80000107.9A93 S97A93-V95 PolarHBondContact O-N 2.86Å; V95-S97 PolarHBondContact O-N 2.73Å
96Q52.7Low52.8Low136 Ų136114.3 Ų114.364%0.63674%0.744SS**  trans-66.999.7179.7-75.8177.3-34.300110.9Q90 I94 S98Q90-Q96 VanDerWaalsContact NE2-NE2 3.12Å; I94-Q96 PolarHBondContact O-N 3.1Å; I94-Q96 VanDerWaalsContact O-N 3.14Å; Q96-S98 PolarHBondContact O-N 2.81Å; Q96-S98 VanDerWaalsContact O-N 3.12Å
97S49.2Very low52.2Low100 Ų100113.6 Ų113.670%0.69974%0.744SS**  trans-65.9106.6163.154.20000109V95 I99V95-S97 PolarHBondContact O-N 2.73Å; S97-I99 PolarHBondContact O-N 2.86Å
98S56.5Low51.8Low119 Ų119115.1 Ų115.183%0.83275%0.752SS**  trans-69.685.2-175.957.80000112.4Q96 G100Q96-S98 PolarHBondContact O-N 2.81Å; Q96-S98 VanDerWaalsContact O-N 3.12Å; S98-G100 PolarHBondContact O-N 3.46Å
99I46.9Very low50.4Low161 Ų161114.4 Ų114.483%0.82676%0.759SS**  trans-87.193.2161.9-58.3177.2000106.4S97S97-I99 PolarHBondContact O-N 2.86Å
100G40.3Very low49.4Very low66 Ų66117.9 Ų117.968%0.6876%0.762SS**  trans-68.4135.8-177.800000112.1S98S98-G100 PolarHBondContact O-N 3.46Å
101S43.9Very low48.1Very low126 Ų126123.5 Ų123.588%0.88178%0.778SS**  trans-111.588.3163.2-1680000108.7
102S39.5Very low46.4Very low109 Ų109124.8 Ų124.876%0.76279%0.793SS**  trans-13481.2177.459.20000109.3A104S102-A104 PolarHBondContact O-N 2.85Å; S102-A104 VanDerWaalsContact O-N 3.17Å
103S42.2Very low44.7Very low125 Ų125123.4 Ų123.487%0.87479%0.792SS**  trans-74.198.6175.454.10000110.7
104A38Very low43.1Very low99 Ų99123.1 Ų123.182%0.81880%0.797SS**  trans-141.1132.7168.300000109S102S102-A104 PolarHBondContact O-N 2.85Å; S102-A104 VanDerWaalsContact O-N 3.17Å
105A41.7Very low41.6Very low108 Ų108123.6 Ų123.689%0.89381%0.811SS**  trans-106.4135-175.600000111.7
106S35.8Very low40.4Very low124 Ų124128.1 Ų128.187%0.86782%0.815SS**  trans-153161.9162.959.10000110.4
107A41.5Very low39.7Very low90 Ų90125.8 Ų125.874%0.74482%0.818SS**  trans-80.9155.8-159.600000114.8
108P48.5Very low39.1Very low133 Ų133125.1 Ų125.186%0.86482%0.819SS**  trans-80.2138.1-177.632.2-35000113.2
109S33.2Very low38.2Very low127 Ų127129.3 Ų129.389%0.88882%0.823SS**  trans-125.6109.4170.1-71.80000110.8
110F38.9Very low37.7Very low191 Ų191127.8 Ų127.884%0.83883%0.827SS**  trans-92.3118.8-178.9179.8-82.5000111.3
111R36.6Very low37.5Very low249 Ų249136.1 Ų136.194%0.9484%0.837SS**  trans-146.7167.3157-76.9-150.8169.9-93.9-11.9111.5
112S31.3Very low37.4Very low104 Ų104134.2 Ų134.273%0.72783%0.829SS**  trans-140.2161.9-154.3-175.80000113.6
113A34.7Very low38Very low102 Ų102135 Ų13584%0.84383%0.832SS**  trans69140.9163.600000119.6
114G31.2Very low38.2Very low75 Ų75135.5 Ų135.577%0.77383%0.829SS**  trans164.887.3169.500000117.8
115S32.4Very low38.8Very low119 Ų119136.6 Ų136.683%0.83283%0.828SS**  trans37.3108.5148.3-58.10000124.6
116Y34.4Very low38.5Very low228 Ų228136.6 Ų136.689%0.89482%0.821SS**  68.7130.3107.5-136.4-109.8000123.9
117A37.1Very low38.3Very low86 Ų86139.3 Ų139.371%0.71181%0.814SS**  trans69.7155.3150.900000120
118A35.4Very low38.2Very low86 Ų86139.1 Ų139.171%0.71181%0.807SS**  cis-159.6174.8-11.600000112.9
119F38.3Very low37.7Very low207 Ų207139.4 Ų139.491%0.90880%0.797SS**  trans-44.3153.5179.5-46.1-94000118.3
120S37.2Very low37.9Very low130 Ų130142.6 Ų142.691%0.90980%0.795SS**  trans-164169.4131.5400000112.3
121R36.4Very low37.5Very low241 Ų241137 Ų13791%0.90979%0.792SS**  trans-121.9145.9-163.2170.7-177.1172.1-174.1-0.1111.2
122A41.8Very low37.6Very low85 Ų85131.9 Ų131.970%0.70279%0.788SS**  trans-73.8155.417800000114.2
123P51.5Low39.2Very low127 Ų127132.2 Ų132.283%0.82579%0.787SS**  trans-110.1150.8154.636.1-27.3000112.8
124V45.3Very low39.9Very low135 Ų135133.4 Ų133.482%0.81879%0.786SS**  trans-120.7154.2169.3-140.10000108.1
125P51.3Low40.1Very low121 Ų121138.1 Ų138.179%0.78679%0.792SS**  -141.3-167.995.241.5-25.1000111.3
126S36.3Very low40Very low109 Ų109135.7 Ų135.776%0.76279%0.785SS**  cis-156.6-166.915.380.10000114.1
127Y30.7Very low40Very low181 Ų181130.5 Ų130.571%0.7178%0.783SS**  trans-16.9136159.9-117.5-117.3000118.5Q129Y127-Q129 HydrophobicContact CD1-CG 4.39Å; Y127-Q129 HydrophobicContact CE1-CG 3.88Å
128S40.6Very low40Very low86 Ų86134 Ų13460%0.60178%0.784SS**  cis92.2124.325.6-169.50000115.9
129Q36.7Very low39.9Very low139 Ų139138.6 Ų138.665%0.6579%0.791SS**  179.6130.9117.3-93.9-171.3-34.200114.7Y127Y127-Q129 HydrophobicContact CD1-CG 4.39Å; Y127-Q129 HydrophobicContact CE1-CG 3.88Å
130F36.9Very low39.5Very low194 Ų194137.8 Ų137.885%0.85179%0.787SS**  trans18.5144.3155.9-55.9-77.1000125.7
131G30.6Very low39.2Very low74 Ų74135.4 Ų135.476%0.76378%0.783SS**  trans165.8122.3152.400000115.1
132V38.7Very low39.1Very low141 Ų141130 Ų13086%0.85578%0.782SS**  trans-149.2173.1175.8-142.10000110.7
133P65.1Low38.6Very low110 Ų110131 Ų13171%0.71479%0.791SS**  -86.1-172.6-111.144.1-30.5000114.4
134P49.7Very low37.6Very low127 Ų127128.7 Ų128.783%0.82579%0.79SS**  -154.6-165.792.443-23000117.2
135I35.6Very low36.9Very low175 Ų175125.5 Ų125.590%0.89778%0.784SS**  trans-80.5167.9-163-149.8164.2000117.3
136G31.3Very low36Very low67 Ų67131.5 Ų131.569%0.69179%0.791SS**  trans125155.1156.500000115.9
137S34.3Very low35.8Very low120 Ų120132.8 Ų132.884%0.83980%0.795SS**  cis-163.8175.8-19.760.30000110.6
138Q35.9Very low35.9Very low159 Ų159129 Ų12974%0.74380%0.795SS**  trans-10.1151.9171.4-59.7-69.24.400119.8
139Q33.2Very low36Very low183 Ų183130.6 Ų130.686%0.85580%0.803SS**  -171.9166.761.3-174.4163.7-47.900114.8
140F31.1Very low35.6Very low189 Ų189131.7 Ų131.783%0.82981%0.808SS**  trans-69.6158.6178-84.7-118.9000116.8
141G29.7Very low35.6Very low80 Ų80134 Ų13483%0.82581%0.811SS**  trans-160.8131.1154.100000111.5
142S34.5Very low35.6Very low127 Ų127136.6 Ų136.689%0.88881%0.808SS**  trans-149.4119.4-173.7-169.20000114.4
143A31.9Very low35.3Very low108 Ų108135.2 Ų135.289%0.89380%0.804SS**  trans-177.2158.8163.600000107.8
144G30.1Very low34Very low77 Ų77138.3 Ų138.379%0.79481%0.814SS**  cis161.1133.9-500000110.7
145G30.1Very low33.1Very low68 Ų68136.9 Ų136.970%0.70181%0.813SS**  trans95.6140.3-174.500000113
146R33.5Very low33Very low247 Ų247137.9 Ų137.993%0.93281%0.811SS**  cis64.4130.133.9-53.4-178.2130.7-155.9-3.6111.8
147T32.7Very low33.1Very low137 Ų137140.4 Ų140.484%0.8482%0.818SS**  cis-136.2176.625.546.80000114.8
148S32.7Very low33.2Very low101 Ų101138.9 Ų138.971%0.70681%0.812SS**PPolyproline II helixtrans-74.1151.4168.4-179.60000111.7
149P42.6Very low33.9Very low120 Ų120137.2 Ų137.278%0.77982%0.816SS**PPolyproline II helixtrans-64.3142.6163.429-35.1000111.1
150Q28.2Very low34Very low162 Ų162135.6 Ų135.676%0.75782%0.818SS**PPolyproline II helixtrans-87.5144.8176.3-176.9168.1-39.800110.1D152Q150-D152 PolarHBondContact NE2-OD2 3.01Å
151R37.2Very low34Very low241 Ų241134.9 Ų134.991%0.90982%0.817SS**  trans-109.6128.4166.1-83.9-174169.1-178-3.6108.1
152D28.9Very low34.9Very low130 Ų130136.2 Ų136.270%0.69581%0.811SS**  trans-124.4168.9165.7-78.9-60.5000110.6Q150Q150-D152 PolarHBondContact NE2-OD2 3.01Å
153S33.6Very low34.7Very low111 Ų111134.6 Ų134.678%0.77680%0.8SS**  trans-150.3171.5-169.3-63.20000111.4
154L36.7Very low34.6Very low175 Ų175135.3 Ų135.392%0.91679%0.793SS**  trans83.1166161.9-113.568.1000119.1
155A31Very low34.8Very low97 Ų97140 Ų14080%0.80279%0.794SS**  trans73.6109.6-165.900000114.3
156K34.6Very low34.8Very low196 Ų196140.9 Ų140.985%0.85279%0.794SS**  cis73.592.313.7-166.681.5176.3-173.80115.9
157S32.1Very low35.8Very low121 Ų121134.8 Ų134.885%0.84679%0.787SS**  trans-143.9163.8152.656.30000109.3
158A36.6Very low37.2Very low87 Ų87133.8 Ų133.872%0.71978%0.783SS**  trans-153.8-155.6-175.400000111
159P51.7Low37.2Very low125 Ų125134.8 Ų134.881%0.81279%0.79SS**  -108.2170.1-118.240-25.6000115.5
160V34.3Very low36.8Very low148 Ų148133.6 Ų133.690%0.89779%0.79SS**  trans-144.7141.2174-177.60000112.6
161E32.3Very low37.4Very low175 Ų175130.4 Ų130.482%0.81879%0.791SS**  trans-156.4178.8178.6-111.2-163.378.400108.7
162P48.4Very low38.2Very low108 Ų108125.2 Ų125.270%0.70179%0.789SS**  cis-107.6-134.51.926.5-2.9000110.4
163S30.1Very low38.1Very low93 Ų93122.5 Ų122.565%0.6579%0.791SS**  cis-159.7-170.78-155.20000107.8
164V30.3Very low38.2Very low123 Ų123125.5 Ų125.575%0.74580%0.798SS**  cis-152119.128.5176.10000106.8
165Q32.7Very low39.2Very low175 Ų175122.8 Ų122.882%0.81879%0.791SS**  62.9136.989.8-156.3-177.34.700116.8
166A30Very low39.4Very low86 Ų86122.8 Ų122.871%0.71179%0.791SS**  cis-166.2-143.9-41.100000110.6
167P55.9Low39.4Very low119 Ų119117.6 Ų117.677%0.77378%0.784SS**  trans-116.2-155-132.139.7-16.2000112.9
168P61.1Low39.5Very low116 Ų116119.3 Ų119.375%0.75379%0.79SS**  cis-142.9-155.21.546.2-25000116.5
169S34.1Very low39.2Very low122 Ų122118.5 Ų118.585%0.85379%0.789SS**  trans82.9138.5163-111.60000118.9
170A33.4Very low38.3Very low95 Ų95121.7 Ų121.779%0.78579%0.794SS**  cis-149-175.41.400000112.4
171A40.7Very low38Very low95 Ų95126.1 Ų126.179%0.78579%0.794SS**  trans-149.5-169.6179.500000110.2
172P54Low38.1Very low133 Ų133122.5 Ų122.586%0.86478%0.784SS**  cis-129.7-174.5-21.240.5-23.8000113.8
173G27.7Very low37.7Very low72 Ų72125.5 Ų125.574%0.74279%0.789SS**  trans172.1144.4164.800000119.3
174L33.8Very low38.9Very low174 Ų174126.9 Ų126.991%0.91180%0.795SS**  trans-158.2175.7172.8-69.3179000108.1
175P58.3Low39Very low118 Ų118124 Ų12477%0.76679%0.79SS**  cis-133.6-158.4-6.841.9-22.6000114.5
176A35.3Very low39.1Very low98 Ų98121.9 Ų121.981%0.8179%0.789SS**  trans77.2164.5158.700000119.6
177A34.8Very low39.2Very low86 Ų86124.2 Ų124.271%0.71180%0.795SS**  cis-173165.7-37.300000111
178V35.1Very low38.1Very low158 Ų158123.1 Ų123.196%0.95880%0.796SS**  trans70.8148.8168.7-174.40000115.2
179G30.3Very low36.8Very low69 Ų69127.2 Ų127.271%0.71180%0.802SS**  cis-170.6-1613.200000115.2
180Q32.4Very low37.5Very low193 Ų193126.5 Ų126.590%0.90279%0.794SS**  trans-93.3162.5-166.5-53.1168.1-11.700115.7
181R27.5Very low37.4Very low240 Ų240127.2 Ų127.291%0.90679%0.793SS**  -164.6-169.8121.6-151.3146.3-179.1-147.4-4.2113.4
182T34Very low37.1Very low99 Ų99127.4 Ų127.461%0.60779%0.789SS**  trans-152.6151.2-140.553.30000117
183Q40Very low36.1Very low171 Ų171126 Ų12680%0.79978%0.782SS**  trans68169.6143.4-68.9-86.9400118.7
184P54.6Low36.3Very low122 Ų122126.9 Ų126.979%0.79278%0.783SS**  cis-134169.3-5.328.3-5.9000119.1
185G32.5Very low36.1Very low62 Ų62125.6 Ų125.664%0.63978%0.782SS**  trans108.5165.6145.100000119.5
186V35.2Very low34.8Very low131 Ų131123.5 Ų123.579%0.79478%0.782SS**  cis-160.9154.6-27.6-138.80000110.6
187T33.5Very low34.8Very low136 Ų136124.3 Ų124.383%0.83478%0.782SS**  trans58.4145.7158.150.60000120.6
188A32.1Very low34.8Very low96 Ų96129.7 Ų129.779%0.79379%0.792SS**  cis-159.8179.7-10.300000112
189K32.9Very low34.9Very low202 Ų202131.7 Ų131.788%0.87879%0.788SS**  trans-126.5177.1174.8-108-177.5179.3179.50108.6
190P48.7Very low35.7Very low107 Ų107133.8 Ų133.870%0.69579%0.789SS**  cis-145.2-176.225.142-20.4000118
191S32.7Very low36.5Very low109 Ų109130.9 Ų130.976%0.76279%0.787SS**  trans36.9153.814268.60000123.3
192S34.2Very low36.7Very low100 Ų100126.3 Ų126.370%0.69978%0.78SS**  cis-159.8167.321.460.40000115.7
193S31.9Very low36.9Very low102 Ų102128 Ų12871%0.71379%0.785SS**  trans64120.3138.362.10000125
194A31.6Very low36.8Very low91 Ų91126.5 Ų126.575%0.75278%0.782SS**  87.3109.2126.500000123.4
195T30.7Very low36Very low147 Ų147127.6 Ų127.690%0.90278%0.777SS**  50.8120.2123.5-41.30000121.8
196G30.7Very low36.3Very low74 Ų74130 Ų13076%0.76377%0.771SS**  trans-175.3134.6160.800000113.2
197S34.8Very low36.3Very low115 Ų115131.6 Ų131.680%0.80477%0.767SS**  trans-113.9146.5-175.1-54.70000112.1
198Q35.8Very low36.1Very low199 Ų199134.1 Ų134.193%0.9377%0.767SS**  167.8173.3125.9-92.1-175.4-3.800114
199K36.2Very low36.1Very low200 Ų200133.3 Ų133.387%0.8776%0.76SS**  trans-91.9164.9-177.1-105.5-172.3173-176.40112.8
200P47.8Very low37.1Very low113 Ų113128.6 Ų128.673%0.73475%0.75SS**  trans-95.8166.6-17639.3-36.5000114.4
201P49.3Very low36.1Very low133 Ų133130.4 Ų130.486%0.86475%0.754SS**  trans-106-169.8153.638.9-29.6000112.3
202D31.2Very low36.2Very low143 Ų143130.1 Ų130.177%0.76575%0.747SS**  trans-128.4165.7-152.8-170.624.2000114.5
203L38.8Very low36.1Very low136 Ų136132.9 Ų132.971%0.71275%0.749SS**  trans37144.3158.1-12969.7000123
204L38.2Very low36.1Very low139 Ų139135.7 Ų135.773%0.72875%0.749SS**  170.4123.4115.3-86.2167.7000112.8
205E37.3Very low36Very low145 Ų145137.3 Ų137.368%0.67875%0.749SS**  trans67.6155.6136.4-64.7-153.7130.700122
206Q39.3Very low36Very low111 Ų111135.5 Ų135.552%0.51974%0.743SS.*  cis-164160.7-2-123.8175.323.200113.6
207K33.8Very low36Very low165 Ų165140.7 Ų140.772%0.71775%0.747SS**  trans67.7156.6147.8-74.9165.6-174.51550118.8
208K31.1Very low36.9Very low190 Ų190139.9 Ų139.983%0.82674%0.739SS**  cis-152.1158.53.1-143.1-170.4173.1-172.10112.3
209A31.8Very low36.7Very low78 Ų78136.4 Ų136.465%0.64573%0.727SS**  trans-106178.5160.300000111
210P53.3Low36.5Very low104 Ų104134.3 Ų134.368%0.67572%0.72SS**  -155.1-170.98642.8-23000117.3
211D27.9Very low35.7Very low144 Ų144135.5 Ų135.577%0.7772%0.716SS**  trans76.3146.3153.8-68.6-17.6000122.7
212V34.5Very low35Very low104 Ų104137.4 Ų137.463%0.6371%0.713SS**  cis-167.2133.7-32.9109.10000112.9
213Q32.5Very low34.9Very low158 Ų158134.5 Ų134.574%0.73872%0.717SS**  trans57.5170.3159.8-53.4175.840.600118.7
214K30.7Very low34.4Very low161 Ų161132.7 Ų132.770%0.772%0.721SS**  cis-162.1145.70.3-146.1178.5179.2175.20112.8
215T30.1Very low34.6Very low125 Ų125132.5 Ų132.577%0.76773%0.726SS**  trans56.4158.6154.437.80000120
216S31.3Very low34.5Very low109 Ų109133.9 Ų133.976%0.76273%0.732SS**  cis-163167.6-12.843.30000110.2
217Q30Very low34.4Very low182 Ų182136 Ų13685%0.8575%0.747SS**  trans-86.1-174.7175.8-52.7-172.5-21.200112.6
218P53.4Low34.5Very low98 Ų98139.9 Ų139.964%0.63676%0.757SS**  cis-140.3-172.7-1.440.8-20.2000117.8
219D32.8Very low34.7Very low126 Ų126138.2 Ų138.267%0.67476%0.757SS**  trans86.7133.7146.4-78.2-50.4000125.5
220H32.2Very low35.5Very low157 Ų157139.9 Ų139.973%0.72776%0.761SS**  trans42.3144.8139.7-7679.2000122.1
221E31.4Very low34.7Very low138 Ų138143 Ų14365%0.64577%0.773SS**  cis-167.5170.4-8.5-146.8-166.7-178.800110.9
222Q33.7Very low35.2Very low173 Ų173144 Ų14481%0.80877%0.766SS**  trans65.2144.6158.4-6017743.400121.6
223G28.8Very low35.5Very low82 Ų82149.7 Ų149.785%0.84578%0.776SS**  trans159.9112.7169.100000114.5
224A29.4Very low35.7Very low97 Ų97148.7 Ų148.780%0.80277%0.771SS**  trans-96148.3-166.400000116.4
225V40.5Very low35.8Very low136 Ų136149.4 Ų149.482%0.82478%0.781SS**  -176.7111.8121.4-87.70000107.9
226E36.8Very low35.9Very low174 Ų174148 Ų14881%0.81378%0.782SS**  72.6106.965.9-168169.6-117.700114.6
227N35.6Very low36.2Very low156 Ų156146.5 Ų146.583%0.83478%0.784SS**  trans177.494.5144.2-107.8-78.7000113.5
228R37.9Very low36.5Very low245 Ų245144.8 Ų144.893%0.92579%0.785SS**  trans-167.4113.9143.6-156.9167-172.5158.73.1111.3
229D34.9Very low35.8Very low155 Ų155149.3 Ų149.383%0.82980%0.798SS**  trans-68.2135.6-170.6-86-62.2000116.3
230P47.8Very low35.9Very low113 Ų113148.7 Ų148.773%0.73480%0.804SS**  trans-109.298166.136-25.5000111.9R232P230-R232 PolarHBondContact O-N 3.33Å
231N37Very low36.3Very low171 Ų171147.6 Ų147.691%0.91480%0.803SS**  trans-78.6125.4177.7-160.7-11.4000112.4
232R38.5Very low36.6Very low165 Ų165152.3 Ų152.362%0.62382%0.815SS**  trans-141.4129.3-172.8166.1-161.9157.7-158.8-4.9110.3P230P230-R232 PolarHBondContact O-N 3.33Å
233R40.1Very low37Very low222 Ų222155.2 Ų155.284%0.83882%0.818SS**  trans-174.7120.6136.4-88.6132.6-147-117.98.6107.6
234Q37.4Very low37.3Very low137 Ų137154.8 Ų154.864%0.6482%0.815SS**  68.5122.168.5-73.9-170.4-64.700115
235I33Very low38.1Very low176 Ų176162.3 Ų162.390%0.90382%0.822SS**  trans-155.5160.8138.4-103.8156.2000108
236A32Very low37.9Very low97 Ų97159.2 Ų159.280%0.80282%0.818SS**  trans-70.9160.8-167.300000114.9
237G36.9Very low38.1Very low77 Ų77162.5 Ų162.579%0.79482%0.823SS**  trans-92158.9-176.300000115.1
238V35.4Very low38.3Very low146 Ų146158.2 Ų158.289%0.88582%0.815SS**  trans-134.3144.3166177.60000108
239Q39.9Very low38.5Very low192 Ų192154 Ų15490%0.89781%0.811SS**  trans-67.6134.1177.3-62.8173.9-26.400111.3
240S34.9Very low39.1Very low114 Ų114158 Ų15880%0.79781%0.814SS**  trans-145.2115.4159.1-159.50000113.3
241N39.7Very low39Very low134 Ų134158.3 Ų158.372%0.71782%0.819SS**  trans-75.5117.3176.4167.626.1000111.2
242R38.3Very low39.5Very low237 Ų237161.8 Ų161.889%0.89482%0.82SS**  trans-149.385.6158.6-106.7167.8-146.9-153.35.2112G244R242-G244 PolarHBondContact O-N 3.43Å
243R41.3Very low39.6Very low233 Ų233157.1 Ų157.188%0.87982%0.823SS**  trans-54.3121.9167.7-82.6177.5160.5131.7-7.1111.1
244G35.7Very low39.9Very low74 Ų74157.9 Ų157.976%0.76383%0.826SS**  trans-63.3136.3166.100000111.3R242 G246R242-G244 PolarHBondContact O-N 3.43Å; G244-G246 VanDerWaalsContact C-N 3.29Å; G244-G246 PolarHBondContact O-N 2.86Å; G244-G246 VanDerWaalsContact O-N 3.08Å
245R46.4Very low40.3Very low255 Ų255156.3 Ų156.396%0.96283%0.826SS**  trans-84.962.7178.3-76.2-166174.7-145.32.2112.6
246G36.5Very low41.1Very low71 Ų71155.1 Ų155.173%0.73282%0.821SS**  trans-85.6123.6159.100000109.8G244 G248G244-G246 VanDerWaalsContact C-N 3.29Å; G244-G246 PolarHBondContact O-N 2.86Å; G244-G246 VanDerWaalsContact O-N 3.08Å; G246-G248 PolarHBondContact O-N 3.33Å; G246-G248 VanDerWaalsContact O-N 3.08Å
247R40.7Very low41.7Very low243 Ų243157.8 Ų157.892%0.91782%0.819SS**  trans-79.291.9180-73.3-172.2-176.2-108.611.6110.8
248G39.9Very low42.5Very low65 Ų65164.7 Ų164.767%0.6782%0.821SS**  trans-62.9162.4172.200000114G246G246-G248 PolarHBondContact O-N 3.33Å; G246-G248 VanDerWaalsContact O-N 3.08Å
249N42.5Very low43.5Very low158 Ų158166 Ų16685%0.84582%0.815SS**  trans-46.2138.6-178.7-74.9-13.9000114S251N249-S251 PolarHBondContact O-N 3.13Å
250R46.3Very low44.5Very low237 Ų237163.2 Ų163.289%0.89481%0.806SS**  trans-80.293.2159-63.6-173.6-160.21678.7108.6R252R250-R252 PolarHBondContact O-N 2.8Å; R250-R252 VanDerWaalsContact O-N 3.13Å
251S46.4Very low45.8Very low120 Ų120160.8 Ų160.884%0.83980%0.799SS**  trans-52.4116.1174.4-51.90000110.9N249N249-S251 PolarHBondContact O-N 3.13Å
252R48.6Very low47Very low244 Ų244159.2 Ų159.292%0.92180%0.795SS**  trans-98.5130164.3-81.9-178.2165.4175.8-5.2108.3R250R250-R252 PolarHBondContact O-N 2.8Å; R250-R252 VanDerWaalsContact O-N 3.13Å
253G40.6Very low48.5Very low68 Ų68155 Ų15570%0.70179%0.787SS**  trans61.8103165.500000116.4V255G253-V255 VanDerWaalsContact C-N 3.27Å; G253-V255 PolarHBondContact O-N 2.9Å
254R46.6Very low49.8Very low238 Ų238151.7 Ų151.790%0.89878%0.779SS**  trans-67.797.6142.5-89.3-166176.6-82.14.8107
255V44.8Very low51.5Low104 Ų104156.1 Ų156.163%0.6378%0.777SS**  trans-71.6129.4154.6-76.90000107.5G253 M257G253-V255 VanDerWaalsContact C-N 3.27Å; G253-V255 PolarHBondContact O-N 2.9Å; V255-M257 HydrophobicContact CG2-CE 4.22Å; V255-M257 HydrophobicContact CG2-CG 4.05Å; V255-M257 PolarHBondContact O-N 2.87Å
256N49.2Very low52.6Low150 Ų150150.8 Ų150.880%0.80277%0.768SS**  trans-76.470.9168.7-82.325.9000108.7R258N256-R258 PolarHBondContact O-N 2.93Å; N256-R258 VanDerWaalsContact O-N 3.1Å
257M46Very low54.7Low153 Ų153155.7 Ų155.775%0.75477%0.772SS**  trans-57.1116.1156.5-68.6-59.6177.200106.4V255 K259V255-M257 HydrophobicContact CG2-CE 4.22Å; V255-M257 HydrophobicContact CG2-CG 4.05Å; V255-M257 PolarHBondContact O-N 2.87Å; M257-K259 PolarHBondContact O-N 3.09Å
258R52.1Low56.5Low223 Ų223152 Ų15284%0.84277%0.77SS**  trans-60.2108.7163.3-68.3-176.5-179.7-1700104.8N256 D260N256-R258 PolarHBondContact O-N 2.93Å; N256-R258 VanDerWaalsContact O-N 3.1Å; R258-D260 PolarHBondContact O-N 3.49Å
259K57.2Low58.4Low174 Ų174155.7 Ų155.776%0.75777%0.768SS**  trans-77.475.6172.2-170.5-174.5177.5-171.50106.1M257 G261M257-K259 PolarHBondContact O-N 3.09Å; K259-G261 PolarHBondContact O-N 3.4Å
260D60.2Low60.2Low132 Ų132151.6 Ų151.671%0.70675%0.746SS**  trans-50.4136.9165.5-62.5-31000106.9R258 T262R258-D260 PolarHBondContact O-N 3.49Å; D260-T262 PolarHBondContact O-N 2.72Å
261G62.9Low61.8Low64 Ų64147.1 Ų147.166%0.6673%0.733SS**  trans-52.7136.2-159.900000111.6K259 M263K259-G261 PolarHBondContact O-N 3.4Å; G261-M263 PolarHBondContact O-N 3.44Å
262T65.4Low63.2Low101 Ų101149.1 Ų149.162%0.6273%0.729SS**  trans-53.9106.9165.9-64.60000106.7D260 K264D260-T262 PolarHBondContact O-N 2.72Å; T262-K264 PolarHBondContact O-N 3Å
263M68.8Low64.8Low148 Ų148141.4 Ų141.473%0.72971%0.71SS**  trans-55.6115.7-171.9-87.6179.6163.700109G261 F265G261-M263 PolarHBondContact O-N 3.44Å; M263-F265 HydrophobicContact CB-CE2 3.86Å; M263-F265 HydrophobicContact CB-CZ 3.96Å; M263-F265 HydrophobicContact SD-CZ 4.02Å
264K69.4Low66.7Low164 Ų164139.7 Ų139.771%0.71369%0.689SS**  trans-85.7106168.3-75.2-65.3-166162.80106.1T262T262-K264 PolarHBondContact O-N 3Å
265F70.5Confident68Low167 Ų167133.9 Ų133.973%0.73268%0.676SS**  trans-83.6106.4158.2-55.8-77.5000104.3M263 E267M263-F265 HydrophobicContact CB-CE2 3.86Å; M263-F265 HydrophobicContact CB-CZ 3.96Å; M263-F265 HydrophobicContact SD-CZ 4.02Å; F265-E267 VanDerWaalsContact C-N 3.28Å
266D70.2Confident69.6Low143 Ų143132.3 Ų132.377%0.76567%0.674SS**  trans-90.81.9-178.9-65-40.6000111.7
267E80.6Confident70.6Confident173 Ų173132.7 Ų132.781%0.80867%0.67SS**SBendtrans-125.3134.2172.4-64.4178.3157.500108.7F265F265-E267 VanDerWaalsContact C-N 3.28Å
268D77.3Confident71.6Confident167 Ų167131.6 Ų131.689%0.89366%0.662SS**  trans-72.8138.3174-74.8-50.1000110.2D270D268-D270 PolarHBondContact O-N 2.87Å; D268-D270 VanDerWaalsContact O-N 3.14Å
269F79.9Confident72.7Confident142 Ų142126.5 Ų126.562%0.62365%0.647SS**  trans-70110.5-177.2-177.5-92.5000111.2F271 A274F269-F271 AromaticContact CD1-CD1 3.79Å; F269-F271 HydrophobicContact CD1-CD1 3.79Å; F269-F271 HydrophobicContact CD1-CD2 4.11Å; F269-F271 AromaticContact CD1-CE1 3.69Å; F269-F271 HydrophobicContact CD1-CE1 3.69Å; F269-F271 HydrophobicContact CD1-CE2 4.01Å; F269-F271 HydrophobicContact CD1-CG 4Å; F269-F271 AromaticContact CD1-CZ 3.81Å; F269-F271 HydrophobicContact CD1-CZ 3.81Å; F269-F271 AromaticContact CE1-CD1 3.72Å; F269-F271 HydrophobicContact CE1-CD1 3.72Å; F269-F271 AromaticContact CE1-CE1 3.87Å; F269-F271 HydrophobicContact CE1-CE1 3.87Å; F269-F271 HydrophobicContact CE1-CG 4.19Å; F269-F271 HydrophobicContact CE1-CZ 4.45Å; F269-F271 VanDerWaalsContact O-CD2 3.23Å; F269-F271 WeakPolarHBondContact O-CD2 3.23Å; F269-F271 WeakPolarHBondContact O-CE2 3.32Å; F269-F271 PolarHBondContact O-N 3.09Å; F269-A274 HydrophobicContact CE1-CB 3.77Å; F269-A274 HydrophobicContact CE2-CB 4.45Å; F269-A274 HydrophobicContact CZ-CB 3.51Å
270D81Confident73.6Confident72 Ų72124.1 Ų124.139%0.38564%0.637SS.*  trans-75.7107.8175.3175.229.1000111.7D268 E272 T273 A274D268-D270 PolarHBondContact O-N 2.87Å; D268-D270 VanDerWaalsContact O-N 3.14Å; D270-E272 VanDerWaalsContact C-N 3.28Å; D270-E272 PolarHBondContact O-N 2.79Å; D270-E272 WeakPolarHBondContact OD1-CB 3.49Å; D270-E272 PolarHBondContact OD1-N 3.46Å; D270-T273 VanDerWaalsContact OD2-CB 3.23Å; D270-T273 WeakPolarHBondContact OD2-CB 3.33Å; D270-T273 WeakPolarHBondContact OD2-CG2 3.44Å; D270-T273 PolarHBondContact OD2-N 2.89Å; D270-T273 PolarHBondContact OD2-OG1 3.17Å; D270-A274 WeakPolarHBondContact O-CB 3.33Å; D270-A274 PolarHBondContact O-N 2.65Å
271F79.8Confident74.2Confident142 Ų142122.9 Ų122.962%0.62363%0.63SS**Hα-helixtrans-69.9-21.7176.2-63.6-88.9000112.9F269 N275F269-F271 AromaticContact CD1-CD1 3.79Å; F269-F271 HydrophobicContact CD1-CD1 3.79Å; F269-F271 HydrophobicContact CD1-CD2 4.11Å; F269-F271 AromaticContact CD1-CE1 3.69Å; F269-F271 HydrophobicContact CD1-CE1 3.69Å; F269-F271 HydrophobicContact CD1-CE2 4.01Å; F269-F271 HydrophobicContact CD1-CG 4Å; F269-F271 AromaticContact CD1-CZ 3.81Å; F269-F271 HydrophobicContact CD1-CZ 3.81Å; F269-F271 AromaticContact CE1-CD1 3.72Å; F269-F271 HydrophobicContact CE1-CD1 3.72Å; F269-F271 AromaticContact CE1-CE1 3.87Å; F269-F271 HydrophobicContact CE1-CE1 3.87Å; F269-F271 HydrophobicContact CE1-CG 4.19Å; F269-F271 HydrophobicContact CE1-CZ 4.45Å; F269-F271 VanDerWaalsContact O-CD2 3.23Å; F269-F271 WeakPolarHBondContact O-CD2 3.23Å; F269-F271 WeakPolarHBondContact O-CE2 3.32Å; F269-F271 PolarHBondContact O-N 3.09Å; F271-N275 VanDerWaalsContact O-CB 3.26Å; F271-N275 WeakPolarHBondContact O-CB 3.47Å; F271-N275 PolarHBondContact O-N 2.67Å; F271-N275 PolarHBondContact O-ND2 3.33Å
272E76.1Confident74.9Confident162 Ų162125.4 Ų125.476%0.75763%0.625SS**Hα-helixtrans-75.6-49.5-178.9-61.1-166.6169.200111.3D270 A274 N275 A276D270-E272 VanDerWaalsContact C-N 3.28Å; D270-E272 PolarHBondContact O-N 2.79Å; D270-E272 WeakPolarHBondContact OD1-CB 3.49Å; D270-E272 PolarHBondContact OD1-N 3.46Å; E272-A274 PolarHBondContact O-N 2.83Å; E272-N275 PolarHBondContact O-N 2.88Å; E272-A276 WeakPolarHBondContact O-CB 3.22Å; E272-A276 PolarHBondContact O-N 3.48Å
273T81.4Confident75.4Confident82 Ų82124.5 Ų124.550%0.50362%0.615SS.*Hα-helixtrans-65.2-35.4172.249.50000113.1D270 A276 Q277D270-T273 VanDerWaalsContact OD2-CB 3.23Å; D270-T273 WeakPolarHBondContact OD2-CB 3.33Å; D270-T273 WeakPolarHBondContact OD2-CG2 3.44Å; D270-T273 PolarHBondContact OD2-N 2.89Å; D270-T273 PolarHBondContact OD2-OG1 3.17Å; T273-A276 PolarHBondContact O-N 3.43Å; T273-Q277 WeakPolarHBondContact O-CG 3.24Å; T273-Q277 PolarHBondContact O-N 2.99Å
274A80.4Confident75.6Confident32 Ų32121.1 Ų121.126%0.26460%0.6SS.*Hα-helixtrans-63.3-42174.400000112.4F269 D270 E272 Q277F269-A274 HydrophobicContact CE1-CB 3.77Å; F269-A274 HydrophobicContact CE2-CB 4.45Å; F269-A274 HydrophobicContact CZ-CB 3.51Å; D270-A274 WeakPolarHBondContact O-CB 3.33Å; D270-A274 PolarHBondContact O-N 2.65Å; E272-A274 PolarHBondContact O-N 2.83Å; A274-Q277 PolarHBondContact O-N 2.64Å
275N74Confident76.1Confident117 Ų117118.9 Ų118.963%0.62659%0.591SS**Hα-helixtrans-69.5-33.1174.8-74.9-36.6000112.3F271 E272 Q277 F278F271-N275 VanDerWaalsContact O-CB 3.26Å; F271-N275 WeakPolarHBondContact O-CB 3.47Å; F271-N275 PolarHBondContact O-N 2.67Å; F271-N275 PolarHBondContact O-ND2 3.33Å; E272-N275 PolarHBondContact O-N 2.88Å; N275-Q277 PolarHBondContact O-N 2.85Å; N275-F278 VanDerWaalsContact O-CB 3.31Å; N275-F278 WeakPolarHBondContact O-CB 3.32Å; N275-F278 PolarHBondContact O-N 2.79Å
276A78.6Confident76.3Confident71 Ų71116.1 Ų116.159%0.58758%0.58SS**Hα-helixtrans-64.6-26.8175.800000113.3E272 T273 F278E272-A276 WeakPolarHBondContact O-CB 3.22Å; E272-A276 PolarHBondContact O-N 3.48Å; T273-A276 PolarHBondContact O-N 3.43Å; A276-F278 VanDerWaalsContact C-N 3.28Å
277Q70.5Confident76.5Confident157 Ų157115.5 Ų115.573%0.73457%0.571SS**THydrogen-bonded Turntrans-79-6.2173.2-67.4176.713.200113.4T273 A274 N275 H279T273-Q277 WeakPolarHBondContact O-CG 3.24Å; T273-Q277 PolarHBondContact O-N 2.99Å; A274-Q277 PolarHBondContact O-N 2.64Å; N275-Q277 PolarHBondContact O-N 2.85Å; Q277-H279 VanDerWaalsContact C-N 3.33Å; Q277-H279 PolarHBondContact O-N 3.25Å
278F67.1Low76.2Confident131 Ų131112.3 Ų112.358%0.57556%0.556SS**  trans-81.674.5-178.3-163.1-94.9000112N275 A276 K280 I283N275-F278 VanDerWaalsContact O-CB 3.31Å; N275-F278 WeakPolarHBondContact O-CB 3.32Å; N275-F278 PolarHBondContact O-N 2.79Å; A276-F278 VanDerWaalsContact C-N 3.28Å; F278-K280 HydrophobicContact CD1-CB 4.18Å; F278-K280 HydrophobicContact CE1-CB 3.98Å; F278-K280 HydrophobicContact CE1-CG 4.24Å; F278-K280 PolarHBondContact O-N 3.33Å; F278-I283 HydrophobicContact CD2-CD1 3.83Å; F278-I283 HydrophobicContact CE1-CD1 4.11Å; F278-I283 HydrophobicContact CE2-CD1 3.36Å; F278-I283 HydrophobicContact CG-CD1 4.39Å; F278-I283 HydrophobicContact CZ-CD1 3.51Å
279H76.2Confident76.2Confident115 Ų115109.8 Ų109.853%0.53254%0.542SS..  trans-71.679.2170.8-66.2-27.3000111.1Q277 D281 E282 I283Q277-H279 VanDerWaalsContact C-N 3.33Å; Q277-H279 PolarHBondContact O-N 3.25Å; H279-D281 PolarHBondContact O-N 3.18Å; H279-D281 VanDerWaalsContact O-N 3.16Å; H279-E282 HydrophobicContact CB-CB 4.18Å; H279-E282 HydrophobicContact CB-CG 4.13Å; H279-E282 IonicContact CD2-OE2 3.44Å; H279-E282 PolarHBondContact CD2-OE2 3.29Å; H279-E282 IonicContact CG-OE2 3.85Å; H279-E282 PolarHBondContact O-N 2.55Å; H279-I283 PolarHBondContact O-N 2.85Å
280K75.2Confident75.7Confident125 Ų125110.1 Ų110.154%0.54354%0.543SS..Hα-helixtrans-45.3-46.8178.9-173.2-171173.1-168.60112.5F278 E282 I283 D284F278-K280 HydrophobicContact CD1-CB 4.18Å; F278-K280 HydrophobicContact CE1-CB 3.98Å; F278-K280 HydrophobicContact CE1-CG 4.24Å; F278-K280 PolarHBondContact O-N 3.33Å; K280-E282 PolarHBondContact O-N 2.87Å; K280-I283 WeakPolarHBondContact O-CB 3.07Å; K280-I283 PolarHBondContact O-N 2.93Å; K280-I283 VanDerWaalsContact O-N 3.14Å; K280-D284 PolarHBondContact O-N 2.86Å
281D72.3Confident75Confident106 Ų106111.8 Ų111.857%0.56755%0.552SS**Hα-helixtrans-64.5-25.1-178.8-63.64.4000113.6H279 K285H279-D281 PolarHBondContact O-N 3.18Å; H279-D281 VanDerWaalsContact O-N 3.16Å; D281-K285 WeakPolarHBondContact O-CB 3.06Å; D281-K285 WeakPolarHBondContact O-CD 3.09Å; D281-K285 WeakPolarHBondContact O-CE 3.31Å; D281-K285 WeakPolarHBondContact O-CG 3.48Å; D281-K285 PolarHBondContact O-N 3.39Å
282E78.2Confident74.1Confident117 Ų117112.1 Ų112.155%0.54755%0.553SS.*Hα-helixtrans-81.1-36.5173.9-67.1-168.2126.100111.4H279 K280 K285 E286H279-E282 HydrophobicContact CB-CB 4.18Å; H279-E282 HydrophobicContact CB-CG 4.13Å; H279-E282 IonicContact CD2-OE2 3.44Å; H279-E282 PolarHBondContact CD2-OE2 3.29Å; H279-E282 IonicContact CG-OE2 3.85Å; H279-E282 PolarHBondContact O-N 2.55Å; K280-E282 PolarHBondContact O-N 2.87Å; E282-K285 PolarHBondContact O-N 3.49Å; E282-E286 WeakPolarHBondContact O-CB 3.37Å; E282-E286 PolarHBondContact O-N 2.87Å
283I75.6Confident73Confident81 Ų81112 Ų11242%0.41556%0.556SS.*Hα-helixtrans-62.7-46.1172.5-61.9168.4000110.2F278 H279 K280 K285 E286 F287F278-I283 HydrophobicContact CD2-CD1 3.83Å; F278-I283 HydrophobicContact CE1-CD1 4.11Å; F278-I283 HydrophobicContact CE2-CD1 3.36Å; F278-I283 HydrophobicContact CG-CD1 4.39Å; F278-I283 HydrophobicContact CZ-CD1 3.51Å; H279-I283 PolarHBondContact O-N 2.85Å; K280-I283 WeakPolarHBondContact O-CB 3.07Å; K280-I283 PolarHBondContact O-N 2.93Å; K280-I283 VanDerWaalsContact O-N 3.14Å; I283-K285 PolarHBondContact O-N 2.82Å; I283-E286 PolarHBondContact O-N 2.8Å; I283-F287 WeakPolarHBondContact O-CB 3.4Å; I283-F287 PolarHBondContact O-N 3.1Å
284D74.1Confident71.4Confident77 Ų77117.3 Ų117.341%0.41257%0.573SS.*Hα-helixtrans-64.5-38176.9-73.3-26000111.5K280 Q288K280-D284 PolarHBondContact O-N 2.86Å; D284-Q288 WeakPolarHBondContact O-CB 3.42Å; D284-Q288 VanDerWaalsContact O-CG 3.22Å; D284-Q288 WeakPolarHBondContact O-CG 3.11Å; D284-Q288 PolarHBondContact O-N 2.88Å
285K79.5Confident70Confident118 Ų118123.1 Ų123.151%0.51360%0.6SS.*Hα-helixtrans-67.6-42.8173.1-74.3161.2-155.3152.50112.5D281 E282 I283 F287 Q288 N289D281-K285 WeakPolarHBondContact O-CB 3.06Å; D281-K285 WeakPolarHBondContact O-CD 3.09Å; D281-K285 WeakPolarHBondContact O-CE 3.31Å; D281-K285 WeakPolarHBondContact O-CG 3.48Å; D281-K285 PolarHBondContact O-N 3.39Å; E282-K285 PolarHBondContact O-N 3.49Å; I283-K285 PolarHBondContact O-N 2.82Å; K285-F287 VanDerWaalsContact C-N 3.33Å; K285-Q288 PolarHBondContact O-N 3.37Å; K285-N289 VanDerWaalsContact O-CB 3.31Å; K285-N289 WeakPolarHBondContact O-CB 3.41Å; K285-N289 PolarHBondContact O-N 2.85Å; K285-N289 PolarHBondContact O-ND2 3.36Å
286E73.5Confident68.2Low109 Ų109124.9 Ų124.951%0.50961%0.609SS.*Hα-helixtrans-62.3-41.3174.9-84.8-154.4-179.200111.7E282 I283 N289 K290E282-E286 WeakPolarHBondContact O-CB 3.37Å; E282-E286 PolarHBondContact O-N 2.87Å; I283-E286 PolarHBondContact O-N 2.8Å; E286-N289 PolarHBondContact O-N 3Å; E286-K290 VanDerWaalsContact O-CB 3.32Å; E286-K290 WeakPolarHBondContact O-CB 3.27Å; E286-K290 WeakPolarHBondContact O-CD 3.44Å; E286-K290 VanDerWaalsContact O-CG 3.24Å; E286-K290 WeakPolarHBondContact O-CG 3.39Å; E286-K290 PolarHBondContact O-N 2.7Å; E286-K290 IonicContact OE2-NZ 2.72Å; E286-K290 PolarHBondContact OE2-NZ 2.89Å
287F75.4Confident66.5Low130 Ų130130.3 Ų130.357%0.5762%0.619SS**Hα-helixtrans-63-47.6177.3-169.9-110.3000111.1I283 K285 N289 K290 L291I283-F287 WeakPolarHBondContact O-CB 3.4Å; I283-F287 PolarHBondContact O-N 3.1Å; K285-F287 VanDerWaalsContact C-N 3.33Å; F287-N289 VanDerWaalsContact C-N 3.34Å; F287-N289 PolarHBondContact O-N 2.73Å; F287-K290 PolarHBondContact O-N 2.73Å; F287-L291 HydrophobicContact CD1-CD1 3.74Å; F287-L291 HydrophobicContact CE1-CD1 3.5Å; F287-L291 VanDerWaalsContact CE1-CD1 3.5Å; F287-L291 HydrophobicContact CE2-CD1 4.49Å; F287-L291 HydrophobicContact CG-CD1 4.35Å; F287-L291 HydrophobicContact CZ-CD1 3.91Å; F287-L291 WeakPolarHBondContact O-CB 3.36Å; F287-L291 WeakPolarHBondContact O-CG 3.42Å; F287-L291 PolarHBondContact O-N 2.88Å
288Q74.3Confident65.7Low105 Ų105127.4 Ų127.449%0.49161%0.614SS.*Hα-helixtrans-61.5-37.8173.9-72.9-70.5-22.900113.1D284 K285 K292D284-Q288 WeakPolarHBondContact O-CB 3.42Å; D284-Q288 VanDerWaalsContact O-CG 3.22Å; D284-Q288 WeakPolarHBondContact O-CG 3.11Å; D284-Q288 PolarHBondContact O-N 2.88Å; K285-Q288 PolarHBondContact O-N 3.37Å; Q288-K292 VanDerWaalsContact O-CG 3.32Å; Q288-K292 WeakPolarHBondContact O-CG 3.49Å; Q288-K292 PolarHBondContact O-N 3.14Å
289N76.6Confident64.3Low114 Ų114129.9 Ų129.961%0.6163%0.627SS**Hα-helixtrans-72.9-36.2177.6-72.3-22.3000112.3K285 E286 F287 L291 K292K285-N289 VanDerWaalsContact O-CB 3.31Å; K285-N289 WeakPolarHBondContact O-CB 3.41Å; K285-N289 PolarHBondContact O-N 2.85Å; K285-N289 PolarHBondContact O-ND2 3.36Å; E286-N289 PolarHBondContact O-N 3Å; F287-N289 VanDerWaalsContact C-N 3.34Å; F287-N289 PolarHBondContact O-N 2.73Å; N289-L291 VanDerWaalsContact C-N 3.33Å; N289-K292 PolarHBondContact O-N 3.21Å
290K69.8Low62.3Low149 Ų149133.4 Ų133.465%0.64864%0.641SS**Hα-helixtrans-72.2-24.8175.7-72.8165.1-176.4167.90112.9E286 F287E286-K290 VanDerWaalsContact O-CB 3.32Å; E286-K290 WeakPolarHBondContact O-CB 3.27Å; E286-K290 WeakPolarHBondContact O-CD 3.44Å; E286-K290 VanDerWaalsContact O-CG 3.24Å; E286-K290 WeakPolarHBondContact O-CG 3.39Å; E286-K290 PolarHBondContact O-N 2.7Å; E286-K290 IonicContact OE2-NZ 2.72Å; E286-K290 PolarHBondContact OE2-NZ 2.89Å; F287-K290 PolarHBondContact O-N 2.73Å
291L66.6Low60.5Low108 Ų108132.1 Ų132.157%0.56565%0.654SS**Hα-helixtrans-80.7-17.3174.4-78.9168.1000114.3F287 N289 L293F287-L291 HydrophobicContact CD1-CD1 3.74Å; F287-L291 HydrophobicContact CE1-CD1 3.5Å; F287-L291 VanDerWaalsContact CE1-CD1 3.5Å; F287-L291 HydrophobicContact CE2-CD1 4.49Å; F287-L291 HydrophobicContact CG-CD1 4.35Å; F287-L291 HydrophobicContact CZ-CD1 3.91Å; F287-L291 WeakPolarHBondContact O-CB 3.36Å; F287-L291 WeakPolarHBondContact O-CG 3.42Å; F287-L291 PolarHBondContact O-N 2.88Å; N289-L291 VanDerWaalsContact C-N 3.33Å; L291-L293 VanDerWaalsContact C-N 3.29Å; L291-L293 PolarHBondContact O-N 3.26Å
292K61.8Low58.5Low149 Ų149133.8 Ų133.865%0.64866%0.662SS**  trans-82.365.5-175.4-79.2173.5-177.9-178.20113.9Q288 N289 K294Q288-K292 VanDerWaalsContact O-CG 3.32Å; Q288-K292 WeakPolarHBondContact O-CG 3.49Å; Q288-K292 PolarHBondContact O-N 3.14Å; N289-K292 PolarHBondContact O-N 3.21Å; K292-K294 PolarHBondContact O-N 2.9Å
293L51.7Low56.2Low158 Ų158136.3 Ų136.383%0.82768%0.679SS**  trans-89.978.1164.9-91.9169.1000111.5L291L291-L293 VanDerWaalsContact C-N 3.29Å; L291-L293 PolarHBondContact O-N 3.26Å
294K49.1Very low54Low194 Ų194136.4 Ų136.484%0.84370%0.7SS**  trans50.7114161.9-63.8-174176.2-174.90118.5K292K292-K294 PolarHBondContact O-N 2.9Å
295D50Low52Low155 Ų155141.8 Ų141.883%0.82972%0.723SS**  trans-59.4160.3165.5-43.7-103.3000113.7
296D36.8Very low49.6Very low154 Ų154144.8 Ų144.882%0.82474%0.739SS**  trans-152.3108.9134.7-128.8-26.9000113.9
297K42.5Very low47.5Very low184 Ų184145.6 Ų145.680%0.875%0.751SS**  trans69.8152.6162.6-59.2-144.472.9171.60121.2
298P53.4Low45.3Very low96 Ų96143.5 Ų143.562%0.62376%0.758SS**  trans-139.6-170.2-140.545.4-26.7000116.4
299E38.5Very low43.1Very low184 Ų184146 Ų14686%0.8677%0.774SS**  trans59.5109.3154.8-76.8175.3-141.600119.7
300K34.1Very low41.1Very low188 Ų188146.3 Ų146.382%0.81779%0.786SS**  -149.7102.6120.1-150.8173.4-172.1-178.70112L302K300-L302 HydrophobicContact CD-CD1 4.46Å
301A37Very low39.3Very low98 Ų98148.5 Ų148.581%0.8180%0.798SS**  trans-88.7133.2164.200000109.2
302L29.7Very low37.6Very low141 Ų141151.9 Ų151.974%0.73881%0.811SS**  trans-139.6111.3168.7-88.5170.3000108.7K300K300-L302 HydrophobicContact CD-CD1 4.46Å
303N29.8Very low36.7Very low171 Ų171150.5 Ų150.591%0.91482%0.817SS**  trans-74.2148.6161.6-67-23.1000108.5
304G29.5Very low35.7Very low82 Ų82147.4 Ų147.485%0.84581%0.814SS**  trans-170.870.4-175.800000112
305E33.2Very low34.6Very low190 Ų190146 Ų14689%0.88882%0.816SS**  trans-86.2122.1172.3170.9-177.3-169.300109.7
306E29Very low33.9Very low182 Ų182147.6 Ų147.685%0.8582%0.818SS**  -169.9-168.4127.1-124.3-173.714100112.3
307T28.3Very low33.6Very low125 Ų125144.1 Ų144.177%0.76782%0.819SS**  trans-125.4173-154.659.10000115.8
308A30.8Very low33Very low87 Ų87140.1 Ų140.172%0.71982%0.821SS**  trans79.592.1154.100000120.4
309D27.7Very low31.8Very low156 Ų156141.1 Ų141.183%0.83483%0.825SS**  42109.3102.7-162.521.9000119.5
310S35Very low31.8Very low121 Ų121141 Ų14185%0.84682%0.824SS**  trans179.2154.8139.3-81.60000114.3
311E31.6Very low32Very low196 Ų196141.1 Ų141.192%0.91683%0.828SS**  trans-69.1166.4-158.9-59175.7144.900120.4
312H30.3Very low32Very low179 Ų179143.5 Ų143.583%0.82982%0.822SS**  trans-46.7158.8168.6-97.4-57.8000116.5
313P42Very low32.9Very low119 Ų119147 Ų14777%0.77384%0.835SS**  -150.9151.569.639.7-19.1000120.8
314A30.7Very low33.9Very low93 Ų93142.1 Ų142.177%0.76982%0.818SS**  trans30.5120.7146.100000122.4
315N27Very low34.5Very low164 Ų164142.3 Ų142.388%0.87780%0.803SS**  -148.4160.2126.8-160.89.2000110.4
316E35.6Very low35.4Very low189 Ų189141.4 Ų141.488%0.88380%0.802SS**  trans-91146.7-171.2-59.5175.5166.900113.1
317G29.8Very low36.4Very low82 Ų82138.7 Ų138.785%0.84579%0.794SS**  trans173.897.7175.100000113.3
318A29.4Very low37.6Very low100 Ų100138.4 Ų138.483%0.82679%0.792SS**  trans-73.2146-17400000114.1
319T28.7Very low39Very low116 Ų116140.8 Ų140.871%0.71280%0.802SS**  -174.6125.4126.7-72.30000110.3
320E38.9Very low40.7Very low181 Ų181143 Ų14385%0.84680%0.8SS**SBendtrans66.1166.1165.5-70.9157.6-147.600118.6
321E38Very low42.6Very low192 Ų192144.2 Ų144.290%0.89779%0.787SS**  trans63.395.5-179-61-173-166.200119.7
322E37.1Very low44.6Very low148 Ų148138.6 Ų138.669%0.69276%0.763SS**  trans-142.375.2149.7-85.7-151.3149.600112.4A324E322-A324 HydrophobicContact CB-CB 4.41Å; E322-A324 HydrophobicContact CG-CB 4.42Å; E322-A324 PolarHBondContact O-N 3.16Å
323E49.4Very low46.6Very low215 Ų215138.7 Ų138.7100%1.00576%0.761SS**THydrogen-bonded Turntrans-76.147.1153.8-73.3-160.3124.800110.7
324A50.9Low48.2Very low68 Ų68139.1 Ų139.156%0.56276%0.762SS**THydrogen-bonded Turntrans-129.1-9.6-164.100000115.6E322 I326E322-A324 HydrophobicContact CB-CB 4.41Å; E322-A324 HydrophobicContact CG-CB 4.42Å; E322-A324 PolarHBondContact O-N 3.16Å; A324-I326 PolarHBondContact O-N 3.32Å; A324-I326 VanDerWaalsContact O-N 3.13Å
325T41.3Very low50.4Low86 Ų86140.6 Ų140.653%0.52875%0.751SS.*  trans-9074.9179.156.20000112.8N327T325-N327 PolarHBondContact O-N 2.89Å; T325-N327 PolarHBondContact O-ND2 3.1Å
326I51.8Low52.8Low170 Ų170135.2 Ų135.287%0.87273%0.726SS**  trans-64.780.8152.9-59.3178000106.7A324 T328A324-I326 PolarHBondContact O-N 3.32Å; A324-I326 VanDerWaalsContact O-N 3.13Å; I326-T328 PolarHBondContact O-N 3.36Å
327N49.9Very low54.4Low126 Ų126133.3 Ų133.367%0.67472%0.715SS**  trans-60.4115.8-173.8-87.5-61.3000109.4T325 C329T325-N327 PolarHBondContact O-N 2.89Å; T325-N327 PolarHBondContact O-ND2 3.1Å; N327-C329 PolarHBondContact O-N 3.08Å
328T54Low55.8Low118 Ų118136 Ų13672%0.72470%0.704SS**  trans-42.3103.4-176.3175.70000111.2I326 Y330I326-T328 PolarHBondContact O-N 3.36Å; T328-Y330 PolarHBondContact O-N 3.02Å
329C60.7Low57.6Low137 Ų137136.5 Ų136.593%0.92669%0.693SS**  trans-79.962.7-176.5-160.80000109.2N327N327-C329 PolarHBondContact O-N 3.08Å
330Y62.5Low59.3Low203 Ų203137.7 Ų137.780%0.79670%0.695SS**  trans-75.9137-172.6-153.2-93.5000110.1T328 D332T328-Y330 PolarHBondContact O-N 3.02Å; Y330-D332 PolarHBondContact O-N 2.82Å
331Y74.5Confident60.2Low147 Ų147133.6 Ų133.658%0.57668%0.678SS**  trans-65.8103.6-171.7178.5-104.1000112.3K333Y331-K333 HydrophobicContact CD1-CG 3.77Å; Y331-K333 HydrophobicContact CE1-CB 4.44Å; Y331-K333 HydrophobicContact CE1-CG 3.72Å; Y331-K333 PolarHBondContact O-N 3.1Å
332D73.7Confident61.1Low78 Ų78130.4 Ų130.442%0.41768%0.677SS.*  trans-73103.8172.5-178.4-1.5000110.3Y330 T334 K335Y330-D332 PolarHBondContact O-N 2.82Å; D332-T334 PolarHBondContact O-N 2.95Å; D332-T334 VanDerWaalsContact O-N 3.12Å; D332-T334 WeakPolarHBondContact OD1-CA 3.45Å; D332-T334 WeakPolarHBondContact OD1-CB 3.19Å; D332-T334 PolarHBondContact OD1-N 2.96Å; D332-T334 PolarHBondContact OD1-OG1 2.75Å; D332-T334 PolarHBondContact OD2-OG1 2.91Å; D332-K335 HydrophobicContact CB-CB 4.11Å; D332-K335 PolarHBondContact O-N 3.11Å
333K73.4Confident61.7Low181 Ų181128.1 Ų128.179%0.78768%0.676SS**THydrogen-bonded Turntrans-63.7-13.9179.2-65.8168.4-176171.90113.7Y331Y331-K333 HydrophobicContact CD1-CG 3.77Å; Y331-K333 HydrophobicContact CE1-CB 4.44Å; Y331-K333 HydrophobicContact CE1-CG 3.72Å; Y331-K333 PolarHBondContact O-N 3.1Å
334T74.7Confident61.6Low127 Ų127123.9 Ų123.978%0.77966%0.66SS**THydrogen-bonded Turntrans-89.9-13.4176.873.10000113D332D332-T334 PolarHBondContact O-N 2.95Å; D332-T334 VanDerWaalsContact O-N 3.12Å; D332-T334 WeakPolarHBondContact OD1-CA 3.45Å; D332-T334 WeakPolarHBondContact OD1-CB 3.19Å; D332-T334 PolarHBondContact OD1-N 2.96Å; D332-T334 PolarHBondContact OD1-OG1 2.75Å; D332-T334 PolarHBondContact OD2-OG1 2.91Å
335K77.8Confident61.4Low124 Ų124125.4 Ų125.454%0.53966%0.659SS.*SBendtrans-115.7100.1-175.2-161.4169.3-169.7171.70109.4D332D332-K335 HydrophobicContact CB-CB 4.11Å; D332-K335 PolarHBondContact O-N 3.11Å
336S76.6Confident61.9Low52 Ų52125.3 Ų125.336%0.36466%0.662SS.*  trans-65.3141.3-172.1-173.30000110.6F338 D339S336-F338 PolarHBondContact O-N 2.72Å; S336-F338 PolarHBondContact OG-N 3.13Å; S336-D339 WeakPolarHBondContact CA-OD2 3.19Å; S336-D339 VanDerWaalsContact CB-OD2 3.26Å; S336-D339 WeakPolarHBondContact CB-OD2 3.39Å; S336-D339 PolarHBondContact N-OD2 2.83Å; S336-D339 PolarHBondContact O-N 2.82Å
337F70.5Confident61.6Low148 Ų148121.8 Ų121.865%0.64965%0.652SS**THydrogen-bonded Turntrans-58.5-18.1174.4-151.1-90.5000112.3L341F337-L341 HydrophobicContact CD1-CD1 3.93Å; F337-L341 HydrophobicContact CE1-CD1 4.02Å
338F58.7Low61.7Low138 Ų138124.6 Ų124.661%0.60566%0.658SS**THydrogen-bonded Turntrans-93.3-5.7179.3-59-82000114.5S336 L341S336-F338 PolarHBondContact O-N 2.72Å; S336-F338 PolarHBondContact OG-N 3.13Å; F338-L341 VanDerWaalsContact O-O 3.04Å
339D66Low61.1Low112 Ų112123.9 Ų123.960%0.59966%0.659SS**THydrogen-bonded Turntrans-76.5-32.5-179.4-63.9-32.1000112.2S336S336-D339 WeakPolarHBondContact CA-OD2 3.19Å; S336-D339 VanDerWaalsContact CB-OD2 3.26Å; S336-D339 WeakPolarHBondContact CB-OD2 3.39Å; S336-D339 PolarHBondContact N-OD2 2.83Å; S336-D339 PolarHBondContact O-N 2.82Å
340N65Low60.5Low140 Ų140121.7 Ų121.775%0.74966%0.659SS**SBendtrans-91.6-8.1175.9-75.3-15.7000113.3
341L58.6Low59.6Low96 Ų96119.5 Ų119.550%0.50366%0.661SS.*SBendtrans-110.1104.9-180-66.4179000109.2F337 F338 C343F337-L341 HydrophobicContact CD1-CD1 3.93Å; F337-L341 HydrophobicContact CE1-CD1 4.02Å; F338-L341 VanDerWaalsContact O-O 3.04Å; L341-C343 PolarHBondContact O-N 2.84Å
342S56.7Low58.2Low125 Ų125116.4 Ų116.487%0.87467%0.674SS**  trans-51.6116.1175.8-170.70000110.2D344S342-D344 PolarHBondContact O-N 2.96Å
343C48.6Very low56.7Low99 Ų99115.4 Ų115.467%0.66968%0.682SS**  trans-79.677-164.4-165.80000112.1L341 D345L341-C343 PolarHBondContact O-N 2.84Å; C343-D345 PolarHBondContact O-N 3.44Å
344D48.1Very low55.3Low126 Ų126116.3 Ų116.367%0.67469%0.686SS**  trans-78.248.5169.5-168.819.3000112S342 S346S342-D344 PolarHBondContact O-N 2.96Å; D344-S346 PolarHBondContact O-N 3.49Å; D344-S346 PolarHBondContact OD1-OG 3Å
345D45.6Very low54Low101 Ų101114.9 Ų114.954%0.5468%0.679SS.*  trans-86.967.2157.1-17415.8000109.6C343 S347C343-D345 PolarHBondContact O-N 3.44Å; D345-S347 PolarHBondContact O-N 3.36Å; D345-S347 VanDerWaalsContact O-N 3.11Å; D345-S347 WeakPolarHBondContact OD1-CB 3.41Å; D345-S347 PolarHBondContact OD1-N 3.11Å; D345-S347 PolarHBondContact OD1-OG 3.42Å
346S51.8Low53.1Low84 Ų84119.6 Ų119.659%0.58769%0.693SS**THydrogen-bonded Turntrans-74.416.9171.747.30000113.1D344D344-S346 PolarHBondContact O-N 3.49Å; D344-S346 PolarHBondContact OD1-OG 3Å
347S46.3Very low52.3Low95 Ų95124.8 Ų124.866%0.66471%0.712SS**THydrogen-bonded Turntrans-82.4-7.5-179.780.60000115D345D345-S347 PolarHBondContact O-N 3.36Å; D345-S347 VanDerWaalsContact O-N 3.11Å; D345-S347 WeakPolarHBondContact OD1-CB 3.41Å; D345-S347 PolarHBondContact OD1-N 3.11Å; D345-S347 PolarHBondContact OD1-OG 3.42Å
348K52.7Low51.8Low185 Ų185127.8 Ų127.880%0.80472%0.719SS**  trans-138.332.8-167-143.5168.3-174.8173.50117.4
349S40.6Very low52.1Low104 Ų104131.5 Ų131.573%0.72773%0.729SS**  trans-98.5128155.755.60000109.9D351S349-D351 PolarHBondContact O-N 3.02Å
350G48.7Very low52.4Low90 Ų90130.2 Ų130.293%0.92873%0.726SS**  trans-93.996.1-170.700000114
351D41.9Very low53.1Low157 Ų157127.5 Ų127.584%0.8472%0.715SS**  trans-146.2152.6151.6-16819.8000111S349 G353S349-D351 PolarHBondContact O-N 3.02Å; D351-G353 PolarHBondContact O-N 3.39Å
352G45.5Very low54Low82 Ų82131.4 Ų131.485%0.84572%0.723SS**SBendtrans-77.938.4-166.500000116.3
353G42.7Very low55.2Low57 Ų57128.3 Ų128.359%0.58871%0.705SS**  trans-112.9119.6-17400000114.4D351D351-G353 PolarHBondContact O-N 3.39Å
354F44.1Very low56.8Low201 Ų201128.2 Ų128.288%0.88270%0.695SS**  trans-63.1125.7166.2-70-93.7000110.1R356F354-R356 PolarHBondContact O-N 3.32Å
355P47Very low58.5Low96 Ų96125.9 Ų125.962%0.62368%0.68SS**  trans-65125.3176.226.5-33.6000109.9
356R58.5Low60.3Low223 Ų223127.2 Ų127.284%0.84268%0.677SS**SBendtrans-87.3-11.6-176.6-80.3-172.6165.9-163.4-2.5113F354 R358F354-R356 PolarHBondContact O-N 3.32Å; R356-R358 VanDerWaalsContact C-N 3.28Å; R356-R358 PolarHBondContact O-N 2.62Å
357E60.8Low62Low161 Ų161130.9 Ų130.975%0.75268%0.678SS**THydrogen-bonded Turntrans-73.1-12.7-170.6-70.360.1-136.100113.6R359E357-R359 VanDerWaalsContact C-N 3.25Å; E357-R359 PolarHBondContact O-N 2.7Å
358R58.9Low63.8Low211 Ų211131.4 Ų131.480%0.79667%0.672SS**THydrogen-bonded Turntrans-85.122176.8-63.4-163.5-169.7-99.43.6114.7R356R356-R358 VanDerWaalsContact C-N 3.28Å; R356-R358 PolarHBondContact O-N 2.62Å
359R65.6Low65.4Low216 Ų216125.7 Ų125.782%0.81565%0.65SS**SBendtrans-136.2114.2163.4-81.6-172.9163.7116.1-0.6109.5E357 T361E357-R359 VanDerWaalsContact C-N 3.25Å; E357-R359 PolarHBondContact O-N 2.7Å; R359-T361 PolarHBondContact O-N 3.13Å
360P71.6Confident67.6Low85 Ų85122.2 Ų122.255%0.55263%0.627SS**  trans-59.4139.8172.727.1-34.1000108.9E364P360-E364 WeakPolarHBondContact CA-OE2 3.39Å; P360-E364 HydrophobicContact CB-CG 4.25Å
361T80.2Confident69.3Low83 Ų83123.4 Ų123.451%0.50961%0.609SS.*  trans-69.8151-176.165.40000110.6R359 A363 E364 E365R359-T361 PolarHBondContact O-N 3.13Å; T361-A363 PolarHBondContact O-N 3.34Å; T361-E364 PolarHBondContact N-OE2 3.45Å; T361-E364 CarbonylContact O-C 3.53Å; T361-E364 WeakPolarHBondContact O-CA 3.44Å; T361-E364 WeakPolarHBondContact O-CB 3.43Å; T361-E364 PolarHBondContact O-N 3.05Å; T361-E364 VanDerWaalsContact OG1-CB 3.25Å; T361-E364 WeakPolarHBondContact OG1-CB 3.35Å; T361-E364 PolarHBondContact OG1-N 3.39Å; T361-E365 PolarHBondContact O-N 3.04Å
362W76.9Confident71.3Confident178 Ų178120.4 Ų120.467%0.67460%0.597SS**THydrogen-bonded Turntrans-58.2-11.9176.4175.1-111.1000114.1R366W362-R366 VanDerWaalsContact CD1-NH2 3.26Å; W362-R366 PolarHBondContact O-NE 2.89Å; W362-R366 PolarHBondContact O-NH2 3.21Å
363A81.8Confident73Confident60 Ų60124.5 Ų124.550%0.49659%0.591SS.*THydrogen-bonded Turntrans-85.9-44.2170.900000112.1T361 R366 R367T361-A363 PolarHBondContact O-N 3.34Å; A363-R366 PolarHBondContact O-N 3.22Å; A363-R367 PolarHBondContact O-N 2.88Å
364E84Confident74.7Confident97 Ų97123.7 Ų123.745%0.45358%0.583SS.*Hα-helixtrans-67.5-44.2176.3177.2177.6-14800112.4P360 T361 R366 R367 M368P360-E364 WeakPolarHBondContact CA-OE2 3.39Å; P360-E364 HydrophobicContact CB-CG 4.25Å; T361-E364 PolarHBondContact N-OE2 3.45Å; T361-E364 CarbonylContact O-C 3.53Å; T361-E364 WeakPolarHBondContact O-CA 3.44Å; T361-E364 WeakPolarHBondContact O-CB 3.43Å; T361-E364 PolarHBondContact O-N 3.05Å; T361-E364 VanDerWaalsContact OG1-CB 3.25Å; T361-E364 WeakPolarHBondContact OG1-CB 3.35Å; T361-E364 PolarHBondContact OG1-N 3.39Å; E364-R366 VanDerWaalsContact C-N 3.3Å; E364-R366 PolarHBondContact O-N 2.89Å; E364-R367 CarbonylContact O-C 3.57Å; E364-R367 WeakPolarHBondContact O-CA 3.44Å; E364-R367 WeakPolarHBondContact O-CB 3.49Å; E364-R367 PolarHBondContact O-N 2.97Å; E364-M368 WeakPolarHBondContact O-CG 3.26Å; E364-M368 PolarHBondContact O-N 3.1Å
365E83.4Confident76Confident78 Ų78120.1 Ų120.136%0.36457%0.571SS.*Hα-helixtrans-56.6-44.5172-167.6-155.2143.800110.9T361 R367 M368 N369T361-E365 PolarHBondContact O-N 3.04Å; E365-R367 VanDerWaalsContact C-N 3.3Å; E365-R367 PolarHBondContact O-N 3.44Å; E365-M368 PolarHBondContact O-N 3.01Å; E365-N369 VanDerWaalsContact O-CB 3.25Å; E365-N369 WeakPolarHBondContact O-CB 3.33Å; E365-N369 PolarHBondContact O-N 2.84Å; E365-N369 PolarHBondContact O-ND2 3.08Å
366R82.5Confident76.8Confident128 Ų128120.7 Ų120.748%0.48358%0.575SS.*Hα-helixtrans-68.9-24.5174.2-87.8-175.2-67.2104.76.1113.7W362 A363 E364 A370W362-R366 VanDerWaalsContact CD1-NH2 3.26Å; W362-R366 PolarHBondContact O-NE 2.89Å; W362-R366 PolarHBondContact O-NH2 3.21Å; A363-R366 PolarHBondContact O-N 3.22Å; E364-R366 VanDerWaalsContact C-N 3.3Å; E364-R366 PolarHBondContact O-N 2.89Å; R366-A370 WeakPolarHBondContact O-CB 3.46Å; R366-A370 PolarHBondContact O-N 3.31Å; R366-A370 VanDerWaalsContact O-N 3.07Å
367R87.3Confident76.3Confident161 Ų161116.3 Ų116.361%0.60857%0.568SS**Hα-helixtrans-72.6-53.1171.7-179.6-178171.9-160.7-14.1110.3A363 E364 E365 N369 A370 E371A363-R367 PolarHBondContact O-N 2.88Å; E364-R367 CarbonylContact O-C 3.57Å; E364-R367 WeakPolarHBondContact O-CA 3.44Å; E364-R367 WeakPolarHBondContact O-CB 3.49Å; E364-R367 PolarHBondContact O-N 2.97Å; E365-R367 VanDerWaalsContact C-N 3.3Å; E365-R367 PolarHBondContact O-N 3.44Å; R367-N369 VanDerWaalsContact C-N 3.29Å; R367-N369 PolarHBondContact O-N 3.42Å; R367-A370 CarbonylContact O-C 3.59Å; R367-A370 WeakPolarHBondContact O-CA 3.31Å; R367-A370 WeakPolarHBondContact O-CB 3.5Å; R367-A370 PolarHBondContact O-N 3.26Å; R367-E371 WeakPolarHBondContact CG-OE1 3.23Å; R367-E371 IonicContact CZ-OE1 3.29Å; R367-E371 VanDerWaalsContact CZ-OE1 3.29Å; R367-E371 IonicContact NE-OE1 2.73Å; R367-E371 PolarHBondContact NE-OE1 3.29Å; R367-E371 IonicContact NE-OE2 3.95Å; R367-E371 IonicContact NH2-OE1 2.93Å; R367-E371 PolarHBondContact NH2-OE1 3.35Å; R367-E371 IonicContact NH2-OE2 3.94Å; R367-E371 WeakPolarHBondContact O-CG 3.38Å; R367-E371 PolarHBondContact O-N 2.94Å
368M85.8Confident76.1Confident106 Ų106120 Ų12052%0.52258%0.575SS.*Hα-helixtrans-56.6-43.4176.5-65.5-58.2-64.800111.6E364 E365 A370 E371 T372E364-M368 WeakPolarHBondContact O-CG 3.26Å; E364-M368 PolarHBondContact O-N 3.1Å; E365-M368 PolarHBondContact O-N 3.01Å; M368-A370 PolarHBondContact O-N 2.96Å; M368-E371 PolarHBondContact O-N 3.49Å; M368-T372 WeakPolarHBondContact O-CB 3.39Å; M368-T372 PolarHBondContact O-N 2.59Å; M368-T372 PolarHBondContact O-OG1 3.37Å
369N84.6Confident75.4Confident65 Ų65117.1 Ų117.135%0.34857%0.57SS.*Hα-helixtrans-66.2-35.1175.4-72.5-27000112.7E365 R367 F373E365-N369 VanDerWaalsContact O-CB 3.25Å; E365-N369 WeakPolarHBondContact O-CB 3.33Å; E365-N369 PolarHBondContact O-N 2.84Å; E365-N369 PolarHBondContact O-ND2 3.08Å; R367-N369 VanDerWaalsContact C-N 3.29Å; R367-N369 PolarHBondContact O-N 3.42Å; N369-F373 HydrophobicContact CB-CD2 4.44Å; N369-F373 WeakPolarHBondContact O-CB 3.45Å; N369-F373 PolarHBondContact O-N 2.72Å
370A86.8Confident74.5Confident31 Ų31114.7 Ų114.726%0.25657%0.568SS.*Hα-helixtrans-72-31174.800000113.3R366 R367 M368 G374 I375R366-A370 WeakPolarHBondContact O-CB 3.46Å; R366-A370 PolarHBondContact O-N 3.31Å; R366-A370 VanDerWaalsContact O-N 3.07Å; R367-A370 CarbonylContact O-C 3.59Å; R367-A370 WeakPolarHBondContact O-CA 3.31Å; R367-A370 WeakPolarHBondContact O-CB 3.5Å; R367-A370 PolarHBondContact O-N 3.26Å; M368-A370 PolarHBondContact O-N 2.96Å; A370-G374 CarbonylContact O-C 3.21Å; A370-G374 WeakPolarHBondContact O-CA 3.23Å; A370-G374 PolarHBondContact O-N 3.25Å; A370-I375 HydrophobicContact CB-CG1 3.68Å; A370-I375 PolarHBondContact O-N 2.85Å
371E85.3Confident73.5Confident116 Ų116123 Ų12354%0.54259%0.588SS.*Hα-helixtrans-78.8-31.8174.8-69.9172.4-178.900111.4R367 M368R367-E371 WeakPolarHBondContact CG-OE1 3.23Å; R367-E371 IonicContact CZ-OE1 3.29Å; R367-E371 VanDerWaalsContact CZ-OE1 3.29Å; R367-E371 IonicContact NE-OE1 2.73Å; R367-E371 PolarHBondContact NE-OE1 3.29Å; R367-E371 IonicContact NE-OE2 3.95Å; R367-E371 IonicContact NH2-OE1 2.93Å; R367-E371 PolarHBondContact NH2-OE1 3.35Å; R367-E371 IonicContact NH2-OE2 3.94Å; R367-E371 WeakPolarHBondContact O-CG 3.38Å; R367-E371 PolarHBondContact O-N 2.94Å; M368-E371 PolarHBondContact O-N 3.49Å
372T83.8Confident72Confident94 Ų94122 Ų12258%0.57759%0.594SS**Hα-helixtrans-87.4-42.3-177.1-58.40000113.7M368M368-T372 WeakPolarHBondContact O-CB 3.39Å; M368-T372 PolarHBondContact O-N 2.59Å; M368-T372 PolarHBondContact O-OG1 3.37Å
373F81.1Confident70.7Confident168 Ų168125.5 Ų125.574%0.73761%0.607SS**SBendtrans-112.22.3-176.3-57.9-74.6000113.4N369N369-F373 HydrophobicContact CB-CD2 4.44Å; N369-F373 WeakPolarHBondContact O-CB 3.45Å; N369-F373 PolarHBondContact O-N 2.72Å
374G78.1Confident68.9Low39 Ų39126.9 Ų126.940%0.40263%0.627SS.*  trans76.7153.6-169.200000112.6A370 P376A370-G374 CarbonylContact O-C 3.21Å; A370-G374 WeakPolarHBondContact O-CA 3.23Å; A370-G374 PolarHBondContact O-N 3.25Å; G374-P376 WeakPolarHBondContact O-CD 3.45Å
375I72.6Confident67.4Low126 Ų126125.8 Ų125.865%0.64664%0.643SS**  trans-64.6125163.7-60.3174000107.2A370 L377A370-I375 HydrophobicContact CB-CG1 3.68Å; A370-I375 PolarHBondContact O-N 2.85Å; I375-L377 VanDerWaalsContact O-CD1 3.27Å; I375-L377 WeakPolarHBondContact O-CD1 3.18Å; I375-L377 PolarHBondContact O-N 3Å
376P63.3Low65.4Low109 Ų109132.1 Ų132.171%0.70867%0.669SS**  trans-66.499.7177.425.6-33.4000110G374 R378G374-P376 WeakPolarHBondContact O-CD 3.45Å; P376-R378 VanDerWaalsContact C-N 3.32Å; P376-R378 PolarHBondContact O-N 3.14Å
377L48.7Very low64Low131 Ų131138.2 Ų138.269%0.68669%0.692SS**  trans-58.985.2179.8-104.760.7000110.9I375 H379I375-L377 VanDerWaalsContact O-CD1 3.27Å; I375-L377 WeakPolarHBondContact O-CD1 3.18Å; I375-L377 PolarHBondContact O-N 3Å; L377-H379 PolarHBondContact O-N 3.08Å
378R56Low61.8Low238 Ų238134.1 Ų134.190%0.89870%0.7SS**  trans-70.669.8172.5-73.4-156.3-172.4-79.64.9111.3P376 Q380P376-R378 VanDerWaalsContact C-N 3.32Å; P376-R378 PolarHBondContact O-N 3.14Å; R378-Q380 PolarHBondContact O-N 3.28Å
379H43.8Very low60Low151 Ų151141.5 Ų141.570%0.69972%0.722SS**  trans-67.199168.3-81.985.6000110.2L377L377-H379 PolarHBondContact O-N 3.08Å
380Q47.7Very low57.7Low164 Ų164142.1 Ų142.177%0.76674%0.744SS**SBendtrans50.880.6152.5-58.2-67.310.900118.1R378R378-Q380 PolarHBondContact O-N 3.28Å
381R49.1Very low55.8Low260 Ų260151.6 Ų151.698%0.98178%0.775SS**  trans-127.281.4136.4-109.4-171.1-171.9-157.34109.3
382G49.4Very low53.6Low61 Ų61155.1 Ų155.163%0.62979%0.793SS**  trans-85.7149.1-171.500000114.8
383R49.1Very low51.4Low252 Ų252154 Ų15495%0.95180%0.8SS**  trans-162.1136.3145.7-112.3-179.2-173.2-98.50.7110.1
384G44.8Very low50.3Low89 Ų89152 Ų15292%0.91880%0.804SS**SBendtrans76.467.1162.500000117.2
385G51.4Low48.7Very low75 Ų75162 Ų16277%0.77383%0.829SS**  trans-140.66.817900000117.2
386F41.3Very low47.1Very low210 Ų210160 Ų16092%0.92184%0.839SS**  trans-86.7114.4-176.9-78.6-80.6000112.6
387R53.9Low46Very low256 Ų256157.9 Ų157.997%0.96684%0.838SS**  trans-84.4119.7151.5-64.4-173.6-172.6-129.67.9107.7
388G40.5Very low45.6Very low75 Ų75164.1 Ų164.177%0.77385%0.852SS**  trans-167.6134.1177.600000111.4
389R48.6Very low44.6Very low261 Ų261156.2 Ų156.299%0.98585%0.845SS**  trans-73.9136.5-177.5-68.3-152.2-84.6-161.7-4.8111.4
390G36.3Very low44.7Very low78 Ų78159.7 Ų159.780%0.80485%0.852SS**  trans-147123.5166.300000109.1
391Y46.4Very low44.4Very low231 Ų231158 Ų15891%0.90686%0.856SS**  trans-123107.2-168.2-174.3-85.1000109.5
392M40.5Very low43.9Very low190 Ų190150 Ų15094%0.93684%0.839SS**  trans-172.2148165.8-106.5-54.9174.600112.2
393G37.7Very low43.3Very low69 Ų69152.6 Ų152.671%0.71185%0.848SS**  trans100.193.6155.700000118.6
394P57.1Low42.7Very low126 Ų126152.2 Ų152.282%0.81885%0.847SS**  trans-101.3124.2174.335.3-29.7000114.4
395R45.2Very low42.1Very low250 Ų250152 Ų15294%0.94385%0.845SS**  trans-143.1123.5152.3-69.3-174.9174.3163.2-2.1105.3
396G38Very low41.2Very low83 Ų83157.1 Ų157.186%0.85685%0.846SS**  77.911264.900000108.2
397G41.5Very low40.9Very low66 Ų66157.3 Ų157.368%0.6885%0.847SS**  cis125.4145.418.400000108.7
398R39.6Very low39.9Very low261 Ų261148 Ų14899%0.98583%0.83SS**  trans74.6140.5-161.1-45.5168.6-169.6-160.91.9112
399G35.1Very low40.2Very low73 Ų73149.6 Ų149.675%0.75383%0.827SS**  cis-166.5163.9-4.700000112.9
400R44.8Very low40.1Very low224 Ų224143.3 Ų143.385%0.84582%0.82SS**  trans-78.6153.6169.8-59.5177.7179.9-179.4-0.2110.2
401P42.8Very low40.2Very low129 Ų129151.5 Ų151.584%0.83883%0.826SS**  trans-100137.4134.932.1-28.1000110
402S37.9Very low39.6Very low90 Ų90144 Ų14463%0.62982%0.82SS**  trans-135.3155.7169.7-71.90000109
403S36.8Very low39.3Very low117 Ų117139.8 Ų139.882%0.81882%0.815SS**  trans73.5146.8-177.1-132.70000113.7
404R35.7Very low39.8Very low244 Ų244142.3 Ų142.392%0.92182%0.819SS**  cis-128.9151.513.7-65.7168.4177.2153.9-0.8111.8
405G32.7Very low39.3Very low85 Ų85141.8 Ų141.888%0.87682%0.815SS**  trans14975.4171.700000113.8
406F33.6Very low38.8Very low181 Ų181134.1 Ų134.179%0.79482%0.815SS**  trans-137.4120.5175.9178.5-90.4000110.7
407F34.5Very low38.7Very low214 Ų214139.7 Ų139.794%0.93982%0.816SS**  trans-161.4136.8166.7-111.1-82.2000108.6
408G33.2Very low38.6Very low60 Ų60148.3 Ų148.362%0.61983%0.828SS**  trans96.9116.5173.900000115.5
409P46.3Very low38.5Very low109 Ų109139.7 Ų139.771%0.70882%0.82SS**  trans-110.8150.1-176.738.4-31.3000114.8
410P46Very low38.5Very low129 Ų129139.9 Ų139.984%0.83882%0.822SS**  trans-83.5124.7158.232.3-29.6000110.7G412P410-G412 PolarHBondContact O-N 3.47Å
411R39.5Very low38.3Very low250 Ų250139.2 Ų139.294%0.94383%0.825SS**  trans-82.8104.6174.4-89.5-177.4167.3172.9-4.2111.7
412G33.6Very low38.1Very low75 Ų75145.1 Ų145.177%0.77383%0.831SS**  trans52.6120.5135.300000122.1P410P410-G412 PolarHBondContact O-N 3.47Å
413A34.3Very low38Very low101 Ų101145 Ų14584%0.83584%0.843SS**  trans-155.5110.6140.700000110.6
414P46.8Very low37.9Very low121 Ų121142.5 Ų142.579%0.78684%0.837SS**  trans-110.5-168.2173.844.4-34.7000110.7
415P48.4Very low38.1Very low115 Ų115143.2 Ų143.275%0.74784%0.839SS**  -125.9147.4-89.235-17.7000114.8
416G33.8Very low38.2Very low90 Ų90142.9 Ų142.993%0.92884%0.836SS**  trans-99.29117600000113.6
417F37Very low38.4Very low200 Ų200137.6 Ų137.688%0.87783%0.832SS**  trans-107.6114.2-177.9-137.6-83000111.5
418R38.3Very low38.7Very low247 Ų247138.6 Ų138.693%0.93283%0.83SS**  trans-166125.6154.8-114174.6-160.3-145.53112.4
419G37.1Very low38.8Very low79 Ų79142.5 Ų142.581%0.81484%0.837SS**  trans-105.8165.4160.200000110.8
420G35.6Very low38.2Very low77 Ų77147.2 Ų147.279%0.79485%0.846SS**  trans-160.8142.1177.100000111.9
421F39.7Very low37.9Very low210 Ų210146 Ų14692%0.92184%0.841SS**  trans-111.6167.5-176.3-89.6-99.3000112.4
422R39.8Very low37.6Very low254 Ų254139.9 Ų139.996%0.95883%0.827SS**  trans94.6122.7178.6-56.5171.1-173.8-141.11.6111.2
423G35.1Very low37.6Very low86 Ų86144.7 Ų144.789%0.88783%0.827SS**  119.7156.752.700000106.3
424G35.9Very low37.6Very low66 Ų66148 Ų14868%0.6883%0.825SS**  cis148.1137.43.400000108.9
425R39.4Very low37.2Very low259 Ų259151.7 Ų151.798%0.97783%0.825SS**  trans77.1148.4-164.1-47.4167.4-167.2-100.42.5113.2
426G35.3Very low36.8Very low78 Ų78157.5 Ų157.580%0.80483%0.832SS**  cis-179.3155.5-7.200000112
427G37.6Very low37.3Very low70 Ų70160.6 Ų160.672%0.72282%0.82SS**  trans-93.4158.9174.600000113.1
428R39.6Very low37.7Very low234 Ų234158.2 Ų158.288%0.88382%0.816SS**  trans178.9151.6167.9-104.3150.7-174.9-122.8-4.9108.9
429D35.4Very low37.9Very low142 Ų142153.5 Ų153.576%0.75981%0.81SS**  cis-156.5170.2-41.4-96.6-26.2000106.1
430F35.1Very low38.3Very low208 Ų208159 Ų15991%0.91281%0.811SS**  trans-94.5170177.5-102.7-102.1000112.7
431S38.2Very low38.7Very low104 Ų104161.7 Ų161.773%0.72781%0.812SS**  trans68.6152.5177.380.20000115.3
432D32.8Very low38.9Very low121 Ų121156.3 Ų156.365%0.64781%0.806SS**  cis-143.4175.733.5-60.9-45.3000114.7
433F35.4Very low39.2Very low177 Ų177152.7 Ų152.778%0.77683%0.831SS**  trans63.8148.9158.7-63.8-66.9000119.7
434E34.3Very low39.4Very low171 Ų171156.1 Ų156.180%0.79983%0.828SS**  cis-158.6179.6-31.5-139.6-171.4170.900111.3
435Y37.6Very low39.6Very low197 Ų197160.8 Ų160.877%0.77384%0.836SS**  trans-45.8134.4-179.7-135.8-103.5000117.2
436R40.4Very low39.6Very low238 Ų238155.3 Ų155.390%0.89883%0.828SS**  trans-154.6142.6137.6-131177.2-175.5104.2-0.5113.9
437K43.8Very low39.9Very low155 Ų155159.9 Ų159.967%0.67483%0.829SS**  trans-71.3156.9168.8-58.4171.2173.9174.80110.2
438D45.5Very low40Very low149 Ų149165.5 Ų165.580%0.79784%0.836SS**  -172.2174.296.9-96.5-37.3000114.1
439N43.2Very low40.1Very low149 Ų149160.9 Ų160.980%0.79783%0.833SS**  trans-99.4174.5-166.8-82.2-66000114.5
440K44.9Very low40.4Very low193 Ų193162.3 Ų162.384%0.83984%0.838SS**  trans95.9124.7167.5-63.5-174.3175.2-177.90114.8
441V44.3Very low40.8Very low134 Ų134158.8 Ų158.881%0.81283%0.832SS**  cis91.6112.344.9169.50000112.2
442A43.4Very low41Very low97 Ų97163.3 Ų163.380%0.80284%0.841SS**  trans28.4124.1154.100000121.1
443A46.7Very low41.8Very low179 Ų179167.2 Ų167.2100%1.47986%0.859SS**  -136.70126.200000107.9

Retrieved 443 of 443 residues in 287.5 ms (Link to these results)