A0A096MZQ0_PAPAN Loading...

E3 ubiquitin-protein ligase KCMF1

AlphaFold DB (Q9P0J7), UniProt , Accession A0A096MZQ0, Species PAPAN (Papio anubis, Olive baboon), Gene KCMF1, Length 381 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
1M74.5Confident92.6Very high147 Ų14762.5 Ų62.572%0.72437%0.366SS*.  0136.60-67.6157.1171.400108.2
2S85.9Confident93Very high44 Ų4462.3 Ų62.331%0.30837%0.37SS..  trans-96.65.6179.7-44.90000113.6R18S2-R18 VanDerWaalsContact CB-NH2 3.32Å; S2-R18 WeakPolarHBondContact O-CG 3.44Å; S2-R18 PolarHBondContact O-NE 3.35Å
3R93.3Very high93.3Very high124 Ų12468.4 Ų68.447%0.46840%0.398SS..SBendtrans-138.9153.1-177.1-74169.7-176.5-114.99.5108.2E5 N16 R18R3-E5 VanDerWaalsContact C-N 3.33Å; R3-E5 PolarHBondContact O-N 3.46Å; R3-E5 VanDerWaalsContact O-N 3.1Å; R3-N16 WeakPolarHBondContact CD-O 3.45Å; R3-N16 PolarHBondContact NH1-O 3.41Å; R3-R18 HydrophobicContact CG-CG 3.44Å; R3-R18 VanDerWaalsContact CG-CG 3.44Å
4H94Very high93.5Very high17 Ų1772.6 Ų72.68%0.07941%0.41CS..  trans-79.581169.8-66.3-74.2000109.7V7 N16 F17 G19 R21 I55 T57H4-V7 HydrophobicContact CB-CB 3.98Å; H4-V7 HydrophobicContact CB-CG2 4.02Å; H4-V7 PolarHBondContact O-N 2.89Å; H4-N16 WeakPolarHBondContact O-CA 3.22Å; H4-F17 AromaticContact CD2-CE2 3.95Å; H4-F17 PolarHBondContact N-O 2.92Å; H4-G19 PolarHBondContact CD2-O 2.79Å; H4-G19 PolarHBondContact NE2-O 3.16Å; H4-R21 WeakPolarHBondContact NE2-CB 3.42Å; H4-I55 PolarHBondContact CE1-O 3.41Å; H4-I55 PolarHBondContact NE2-O 3.4Å; H4-T57 WeakPolarHBondContact NE2-CG2 3.41Å
5E92.6Very high93.7Very high116 Ų11670.3 Ų70.354%0.54241%0.408SS..THydrogen-bonded Turntrans-63.8133.5-179.9-70172.6-155.200111.4R3 V7 N16R3-E5 VanDerWaalsContact C-N 3.33Å; R3-E5 PolarHBondContact O-N 3.46Å; R3-E5 VanDerWaalsContact O-N 3.1Å; E5-V7 VanDerWaalsContact C-N 3.31Å; E5-N16 WeakPolarHBondContact CA-OD1 3.47Å
6G93.1Very high93.7Very high79 Ų7970.6 Ų70.681%0.81441%0.408SS*.THydrogen-bonded Turntrans79.59.6-17900000114.7N16G6-N16 PolarHBondContact N-OD1 3.37Å
7V94.7Very high93.8Very high16 Ų1666.8 Ų66.810%0.09739%0.385CS..  trans-116.8136-179.7-175.40000110.2H4 E5 G15 N16 F17 R21 D31H4-V7 HydrophobicContact CB-CB 3.98Å; H4-V7 HydrophobicContact CB-CG2 4.02Å; H4-V7 PolarHBondContact O-N 2.89Å; E5-V7 VanDerWaalsContact C-N 3.31Å; V7-G15 CarbonylContact O-C 3.55Å; V7-G15 WeakPolarHBondContact O-CA 3.39Å; V7-N16 PolarHBondContact O-N 3.11Å; V7-F17 HydrophobicContact CG1-CE1 4.1Å; V7-F17 HydrophobicContact CG1-CZ 4.29Å; V7-R21 HydrophobicContact CG1-CG 4.46Å; V7-R21 VanDerWaalsContact CG2-CZ 3.45Å; V7-D31 HydrophobicContact CG1-CB 4.1Å
8S97.2Very high93.8Very high66 Ų6670.8 Ų70.846%0.46239%0.393SS..BIsolated β-bridgetrans-120.3144.7172.351.50000111.6K14S8-K14 WeakPolarHBondContact CA-O 3.43Å
9C98.2Very high93.7Very high0 Ų067.9 Ų67.90%038%0.381CS..  trans-74.1124.6169.8177.20000110.2A11 L13 K14 F17 D31 C33 C36C9-A11 VanDerWaalsContact C-N 3.25Å; C9-A11 PolarHBondContact O-N 2.7Å; C9-L13 WeakPolarHBondContact O-CA 3.41Å; C9-L13 PolarHBondContact O-N 2.96Å; C9-K14 PolarHBondContact N-O 2.99Å; C9-F17 HydrophobicContact CB-CE1 4.19Å; C9-D31 CarbonylContact C-O 3.34Å; C9-D31 VanDerWaalsContact CA-O 3.31Å; C9-D31 WeakPolarHBondContact CA-O 3.42Å; C9-C33 HydrophobicContact CB-CB 4.11Å; C9-C33 PolarHBondContact SG-N 2.95Å; C9-C33 VanDerWaalsContact SG-N 3.39Å; C9-C33 VanDerWaalsContact SG-SG 3.67Å; C9-C36 VanDerWaalsContact SG-SG 3.63Å
10D97.8Very high93.8Very high37 Ų3769 Ų6920%0.19838%0.379CS..THydrogen-bonded Turntrans-65.7-24.6179.1-77.7-90.8000113.9Y30 D31 R45D10-Y30 HydrophobicContact CB-CD2 3.74Å; D10-Y30 HydrophobicContact CB-CE1 4.42Å; D10-Y30 HydrophobicContact CB-CE2 3.47Å; D10-Y30 VanDerWaalsContact CB-CE2 3.47Å; D10-Y30 HydrophobicContact CB-CG 4.33Å; D10-Y30 VanDerWaalsContact OD2-CA 3.3Å; D10-Y30 WeakPolarHBondContact OD2-CA 3.32Å; D10-D31 PolarHBondContact N-O 3.05Å; D10-D31 PolarHBondContact OD2-N 3.17Å; D10-R45 IonicContact OD1-NH2 3.34Å; D10-R45 PolarHBondContact OD1-NH2 3.45Å
11A97Very high93.9Very high41 Ų4166.9 Ų66.934%0.33937%0.365SS..THydrogen-bonded Turntrans-85.3-48.8-178.300000113.1C9 L32 C36 A41C9-A11 VanDerWaalsContact C-N 3.25Å; C9-A11 PolarHBondContact O-N 2.7Å; A11-L32 HydrophobicContact CB-CD2 3.62Å; A11-C36 HydrophobicContact CB-CB 3.88Å; A11-A41 HydrophobicContact CB-CB 3.63Å
12C97.4Very high95Very high60 Ų6060.8 Ų60.841%0.40533%0.334SS..THydrogen-bonded Turntrans-106.6-0.3-176.569.90000114.5K14 C33 C36C12-K14 PolarHBondContact O-N 3.19Å; C12-K14 VanDerWaalsContact SG-CB 3.59Å; C12-C33 VanDerWaalsContact SG-SG 3.68Å; C12-C36 VanDerWaalsContact CB-SG 3.6Å
13L96.7Very high95.6Very high142 Ų14258.7 Ų58.774%0.74332%0.319SS*.  trans60.212.2179.9-51.3179.4000114.9C9 G15C9-L13 WeakPolarHBondContact O-CA 3.41Å; C9-L13 PolarHBondContact O-N 2.96Å; L13-G15 PolarHBondContact O-N 3.32Å
14K96.7Very high95.8Very high128 Ų12852.8 Ų52.856%0.55730%0.297SS*.  trans-69.7115.6176.1-172177.3-177.8174.60109.7S8 C9 C12 F17S8-K14 WeakPolarHBondContact CA-O 3.43Å; C9-K14 PolarHBondContact N-O 2.99Å; C12-K14 PolarHBondContact O-N 3.19Å; C12-K14 VanDerWaalsContact SG-CB 3.59Å; K14-F17 HydrophobicContact CD-CB 4.16Å; K14-F17 HydrophobicContact CG-CB 4.27Å; K14-F17 WeakPolarHBondContact O-CD1 3.2Å
15G95.8Very high96Very high38 Ų3852 Ų5239%0.39229%0.293SS..BIsolated β-bridgetrans-84160.1171.500000113.2V7 L13 F17V7-G15 CarbonylContact O-C 3.55Å; V7-G15 WeakPolarHBondContact O-CA 3.39Å; L13-G15 PolarHBondContact O-N 3.32Å; G15-F17 PolarHBondContact O-N 2.92Å; G15-F17 VanDerWaalsContact O-N 3.08Å
16N94.7Very high96.2Very high75 Ų7549.8 Ų49.840%0.40129%0.285SS..SBendtrans49.441.3169.1-57.4-31000113.6R3 H4 E5 G6 V7R3-N16 WeakPolarHBondContact CD-O 3.45Å; R3-N16 PolarHBondContact NH1-O 3.41Å; H4-N16 WeakPolarHBondContact O-CA 3.22Å; E5-N16 WeakPolarHBondContact CA-OD1 3.47Å; G6-N16 PolarHBondContact N-OD1 3.37Å; V7-N16 PolarHBondContact O-N 3.11Å
17F95.1Very high96.4Very high5 Ų546.5 Ų46.52%0.02225%0.249CC..  trans-78157.8-176.559.5-92.2000111.9H4 V7 C9 K14 G15 R21 C33H4-F17 AromaticContact CD2-CE2 3.95Å; H4-F17 PolarHBondContact N-O 2.92Å; V7-F17 HydrophobicContact CG1-CE1 4.1Å; V7-F17 HydrophobicContact CG1-CZ 4.29Å; C9-F17 HydrophobicContact CB-CE1 4.19Å; K14-F17 HydrophobicContact CD-CB 4.16Å; K14-F17 HydrophobicContact CG-CB 4.27Å; K14-F17 WeakPolarHBondContact O-CD1 3.2Å; G15-F17 PolarHBondContact O-N 2.92Å; G15-F17 VanDerWaalsContact O-N 3.08Å; F17-R21 HydrophobicContact CE2-CB 3.89Å; F17-R21 HydrophobicContact CE2-CG 4.47Å; F17-R21 HydrophobicContact CZ-CB 4.04Å; F17-R21 HydrophobicContact CZ-CG 4.11Å; F17-C33 HydrophobicContact CD1-CB 4.12Å; F17-C33 HydrophobicContact CD2-CB 3.62Å; F17-C33 HydrophobicContact CE1-CB 4.14Å; F17-C33 HydrophobicContact CE2-CB 3.65Å; F17-C33 HydrophobicContact CG-CB 3.86Å; F17-C33 HydrophobicContact CZ-CB 3.91Å
18R93.5Very high96.5Very high140 Ų14053 Ų5353%0.52827%0.273SS..  trans-95163.1178.8-61.3-175.178.3132.90110.5S2 R3S2-R18 VanDerWaalsContact CB-NH2 3.32Å; S2-R18 WeakPolarHBondContact O-CG 3.44Å; S2-R18 PolarHBondContact O-NE 3.35Å; R3-R18 HydrophobicContact CG-CG 3.44Å; R3-R18 VanDerWaalsContact CG-CG 3.44Å
19G92.7Very high96.5Very high15 Ų1554 Ų5416%0.15527%0.273CS..SBendtrans81.9-144.6173.600000112.7H4 D60H4-G19 PolarHBondContact CD2-O 2.79Å; H4-G19 PolarHBondContact NE2-O 3.16Å; G19-D60 VanDerWaalsContact CA-OD2 3.24Å; G19-D60 WeakPolarHBondContact CA-OD2 3.28Å; G19-D60 PolarHBondContact N-OD2 3.37Å; G19-D60 VanDerWaalsContact N-OD2 3.11Å
20R94.8Very high96.5Very high90 Ų9054 Ų5434%0.3427%0.273SS..  trans-75.9125.6-174.5-54.5-171.3-73.7-152.50.6111.4Y22 A34 E38 L56R20-Y22 HydrophobicContact CB-CD2 4.33Å; R20-Y22 HydrophobicContact CB-CE2 3.59Å; R20-Y22 WeakPolarHBondContact CD-OH 3.29Å; R20-Y22 PolarHBondContact NE-OH 3Å; R20-Y22 VanDerWaalsContact NE-OH 3.1Å; R20-A34 HydrophobicContact CB-CB 4.25Å; R20-A34 PolarHBondContact O-N 3.02Å; R20-E38 IonicContact CZ-OE1 3.81Å; R20-E38 IonicContact NH2-OE1 3.56Å; R20-E38 PolarHBondContact NH2-OE1 3.33Å; R20-L56 HydrophobicContact CB-CD2 4.35Å; R20-L56 HydrophobicContact CG-CD2 3.68Å
21R96.3Very high96.5Very high25 Ų2552.5 Ų52.59%0.09427%0.265CS..EExtended strand (participates in β ladder)trans-98.2138.4164.3170.8-173.9-178.818010.2108.2H4 V7 F17 D31 C54 I55H4-R21 WeakPolarHBondContact NE2-CB 3.42Å; V7-R21 HydrophobicContact CG1-CG 4.46Å; V7-R21 VanDerWaalsContact CG2-CZ 3.45Å; F17-R21 HydrophobicContact CE2-CB 3.89Å; F17-R21 HydrophobicContact CE2-CG 4.47Å; F17-R21 HydrophobicContact CZ-CB 4.04Å; F17-R21 HydrophobicContact CZ-CG 4.11Å; R21-D31 IonicContact CZ-OD1 3.78Å; R21-D31 VanDerWaalsContact CZ-OD1 3.27Å; R21-D31 IonicContact CZ-OD2 3.27Å; R21-D31 IonicContact NE-OD1 3.46Å; R21-D31 PolarHBondContact NE-OD1 3.47Å; R21-D31 IonicContact NE-OD2 3.73Å; R21-D31 IonicContact NH2-OD1 3.67Å; R21-D31 PolarHBondContact NH2-OD1 2.97Å; R21-D31 IonicContact NH2-OD2 3.05Å; R21-D31 PolarHBondContact NH2-OD2 3.31Å; R21-C54 CarbonylContact O-C 3.56Å; R21-C54 WeakPolarHBondContact O-CA 3.49Å; R21-I55 HydrophobicContact CB-CB 4.32Å; R21-I55 PolarHBondContact N-O 2.93Å; R21-I55 PolarHBondContact O-N 3.44Å
22Y97.7Very high96.5Very high18 Ų1850.6 Ų50.67%0.07125%0.249CC..EExtended strand (participates in β ladder)trans-118.5112.1175.6-68.6-89.7000108.6R20 D31 L32 A34 Y37 M52 Q53 C54R20-Y22 HydrophobicContact CB-CD2 4.33Å; R20-Y22 HydrophobicContact CB-CE2 3.59Å; R20-Y22 WeakPolarHBondContact CD-OH 3.29Å; R20-Y22 PolarHBondContact NE-OH 3Å; R20-Y22 VanDerWaalsContact NE-OH 3.1Å; Y22-D31 CarbonylContact O-C 3.56Å; Y22-D31 WeakPolarHBondContact O-CA 3.23Å; Y22-L32 PolarHBondContact N-O 3.42Å; Y22-L32 PolarHBondContact O-N 2.93Å; Y22-A34 HydrophobicContact CE2-CB 4.28Å; Y22-Y37 AromaticContact CD1-CD1 3.78Å; Y22-Y37 HydrophobicContact CD1-CD1 3.78Å; Y22-Y37 AromaticContact CD1-CD2 3.84Å; Y22-Y37 HydrophobicContact CD1-CD2 3.84Å; Y22-Y37 AromaticContact CD1-CE1 3.87Å; Y22-Y37 HydrophobicContact CD1-CE1 3.87Å; Y22-Y37 AromaticContact CD1-CE2 3.94Å; Y22-Y37 HydrophobicContact CD1-CE2 3.94Å; Y22-Y37 AromaticContact CD1-CG 3.75Å; Y22-Y37 HydrophobicContact CD1-CG 3.75Å; Y22-Y37 AromaticContact CD1-CZ 3.94Å; Y22-Y37 AromaticContact CD2-CD1 3.89Å; Y22-Y37 HydrophobicContact CD2-CD1 3.89Å; Y22-Y37 HydrophobicContact CD2-CD2 4.39Å; Y22-Y37 AromaticContact CD2-CG 3.67Å; Y22-Y37 HydrophobicContact CD2-CG 3.67Å; Y22-Y37 AromaticContact CE1-CD1 3.49Å; Y22-Y37 HydrophobicContact CE1-CD1 3.49Å; Y22-Y37 VanDerWaalsContact CE1-CD1 3.49Å; Y22-Y37 HydrophobicContact CE1-CD2 4.37Å; Y22-Y37 AromaticContact CE1-CE1 3.41Å; Y22-Y37 HydrophobicContact CE1-CE1 3.41Å; Y22-Y37 VanDerWaalsContact CE1-CE1 3.41Å; Y22-Y37 HydrophobicContact CE1-CE2 4.3Å; Y22-Y37 AromaticContact CE1-CG 3.98Å; Y22-Y37 HydrophobicContact CE1-CG 3.98Å; Y22-Y37 AromaticContact CE1-CZ 3.83Å; Y22-Y37 AromaticContact CE2-CD1 3.62Å; Y22-Y37 HydrophobicContact CE2-CD1 3.62Å; Y22-Y37 HydrophobicContact CE2-CE1 4.36Å; Y22-Y37 AromaticContact CE2-CG 3.92Å; Y22-Y37 HydrophobicContact CE2-CG 3.92Å; Y22-Y37 AromaticContact CG-CD1 3.95Å; Y22-Y37 HydrophobicContact CG-CD1 3.95Å; Y22-Y37 AromaticContact CG-CD2 3.84Å; Y22-Y37 HydrophobicContact CG-CD2 3.84Å; Y22-Y37 HydrophobicContact CG-CE1 4.5Å; Y22-Y37 HydrophobicContact CG-CE2 4.4Å; Y22-Y37 AromaticContact CG-CG 3.58Å; Y22-Y37 HydrophobicContact CG-CG 3.58Å; Y22-Y37 AromaticContact CZ-CD1 3.39Å; Y22-Y37 AromaticContact CZ-CE1 3.68Å; Y22-M52 VanDerWaalsContact CB-CE 3.48Å; Y22-M52 HydrophobicContact CD1-CB 4.49Å; Y22-M52 WeakPolarHBondContact O-CE 3.5Å; Y22-Q53 CarbonylContact C-O 3.54Å; Y22-Q53 WeakPolarHBondContact CA-O 3.45Å; Y22-C54 HydrophobicContact CD1-CB 4.22Å; Y22-C54 HydrophobicContact CE1-CB 3.94Å
23K97.6Very high96.6Very high0 Ų048 Ų480%023%0.232CC..EExtended strand (participates in β ladder)trans-95131.9175.1175.5162.5-76.4-66.80110.1D31 M52 Q53 I55 A114 P121 N122K23-D31 WeakPolarHBondContact CA-OD1 3.37Å; K23-D31 WeakPolarHBondContact CB-OD1 3.47Å; K23-D31 WeakPolarHBondContact CE-OD1 3.5Å; K23-D31 IonicContact NZ-OD1 3.44Å; K23-D31 PolarHBondContact NZ-OD1 2.98Å; K23-D31 IonicContact NZ-OD2 2.85Å; K23-D31 PolarHBondContact NZ-OD2 2.83Å; K23-M52 VanDerWaalsContact C-CE 3.46Å; K23-M52 CarbonylContact O-C 3.56Å; K23-M52 WeakPolarHBondContact O-CA 3.4Å; K23-Q53 PolarHBondContact N-O 3.13Å; K23-Q53 PolarHBondContact O-N 3.09Å; K23-I55 HydrophobicContact CB-CD1 3.99Å; K23-A114 HydrophobicContact CD-CB 3.85Å; K23-P121 WeakPolarHBondContact CD-O 3.29Å; K23-P121 VanDerWaalsContact CE-O 3.3Å; K23-P121 WeakPolarHBondContact CE-O 3.4Å; K23-N122 PolarHBondContact NZ-OD1 3.08Å
24C98.3Very high96.6Very high0 Ų042.4 Ų42.40%021%0.206CC..EExtended strand (participates in β ladder)trans-71.3135.7172.5-170.10000110.5I26 C27 Y30 H50 M52 I109C24-I26 VanDerWaalsContact C-N 3.31Å; C24-C27 HydrophobicContact CB-CB 3.9Å; C24-C27 PolarHBondContact SG-N 2.95Å; C24-C27 PolarHBondContact SG-SG 3.04Å; C24-Y30 HydrophobicContact CB-CD1 4.03Å; C24-Y30 HydrophobicContact CB-CG 4.45Å; C24-Y30 PolarHBondContact N-O 3.25Å; C24-H50 VanDerWaalsContact SG-CB 3.56Å; C24-M52 WeakPolarHBondContact CA-SD 3.44Å; C24-M52 HydrophobicContact CB-CE 4.3Å; C24-M52 HydrophobicContact CB-SD 3.63Å; C24-I109 WeakPolarHBondContact O-CD1 3.38Å
25L97.9Very high96.6Very high0 Ų039.9 Ų39.90%020%0.204CC..SBendtrans-90.11.7179.3-61.5-179.3000113.7P51 Q53 T79 P81 I109 P111L25-P51 HydrophobicContact CB-CG 4.36Å; L25-P51 WeakPolarHBondContact CB-O 3.35Å; L25-P51 HydrophobicContact CD1-CB 4.46Å; L25-P51 PolarHBondContact N-O 3.23Å; L25-Q53 HydrophobicContact CD1-CB 4.27Å; L25-Q53 HydrophobicContact CD2-CB 3.78Å; L25-Q53 HydrophobicContact CG-CB 4.16Å; L25-T79 HydrophobicContact CD1-CG2 4.33Å; L25-T79 WeakPolarHBondContact CD1-O 3.3Å; L25-P81 HydrophobicContact CB-CB 3.89Å; L25-P81 HydrophobicContact CD1-CB 4.06Å; L25-I109 PolarHBondContact O-N 2.81Å; L25-P111 HydrophobicContact CD1-CB 4.07Å; L25-P111 HydrophobicContact CD2-CB 3.94Å
26I97.7Very high96.8Very high70 Ų7038.6 Ų38.636%0.35919%0.189SC..SBendtrans-119-44.4-179.9-53.2-60.3000110.9C24 H50 P51 V108C24-I26 VanDerWaalsContact C-N 3.31Å; I26-H50 HydrophobicContact CG1-CB 4.27Å; I26-P51 HydrophobicContact CD1-CG 4.21Å; I26-P51 HydrophobicContact CG1-CG 4.08Å; I26-V108 HydrophobicContact CD1-CG1 4.01Å
27C97.5Very high96.9Very high10 Ų1039.2 Ų39.27%0.06819%0.186CC..SBendtrans-83124.6-177.7-54.30000110.8C24 D29 Y30 R45 H50 I109C24-C27 HydrophobicContact CB-CB 3.9Å; C24-C27 PolarHBondContact SG-N 2.95Å; C24-C27 PolarHBondContact SG-SG 3.04Å; C27-D29 PolarHBondContact O-N 3.33Å; C27-Y30 VanDerWaalsContact CB-CB 3.46Å; C27-Y30 HydrophobicContact CB-CG 4.05Å; C27-R45 PolarHBondContact SG-O 3.22Å; C27-H50 VanDerWaalsContact SG-CE1 3.52Å; C27-H50 PolarHBondContact SG-ND1 3.38Å; C27-I109 VanDerWaalsContact O-CD1 3.23Å; C27-I109 WeakPolarHBondContact O-CD1 3.43Å
28Y96.6Very high97.1Very high154 Ų15444.4 Ų44.460%0.60421%0.211SC*.THydrogen-bonded Turntrans-60.8128.9173.2-168.6-94.7000111.4Y30 N122 V124Y28-Y30 VanDerWaalsContact C-N 3.29Å; Y28-Y30 PolarHBondContact O-N 3.41Å; Y28-N122 HydrophobicContact CD2-CB 4.25Å; Y28-N122 HydrophobicContact CE2-CB 3.71Å; Y28-V124 HydrophobicContact CD2-CG2 3.84Å; Y28-V124 HydrophobicContact CE2-CG2 4.22Å
29D95.9Very high97.3Very high87 Ų8742 Ų4247%0.46522%0.215SC..THydrogen-bonded Turntrans51.542177.1-155.338.2000114.4C27 N122C27-D29 PolarHBondContact O-N 3.33Å; D29-N122 WeakPolarHBondContact CA-OD1 3.32Å; D29-N122 PolarHBondContact N-OD1 3.22Å; D29-N122 PolarHBondContact OD1-ND2 3.4Å
30Y97.9Very high97.5Very high0 Ų042.8 Ų42.80%022%0.224CC..  trans-112.8120.4178.6-164.4-86.1000112D10 C24 C27 Y28 L32 T43 H46D10-Y30 HydrophobicContact CB-CD2 3.74Å; D10-Y30 HydrophobicContact CB-CE1 4.42Å; D10-Y30 HydrophobicContact CB-CE2 3.47Å; D10-Y30 VanDerWaalsContact CB-CE2 3.47Å; D10-Y30 HydrophobicContact CB-CG 4.33Å; D10-Y30 VanDerWaalsContact OD2-CA 3.3Å; D10-Y30 WeakPolarHBondContact OD2-CA 3.32Å; C24-Y30 HydrophobicContact CB-CD1 4.03Å; C24-Y30 HydrophobicContact CB-CG 4.45Å; C24-Y30 PolarHBondContact N-O 3.25Å; C27-Y30 VanDerWaalsContact CB-CB 3.46Å; C27-Y30 HydrophobicContact CB-CG 4.05Å; Y28-Y30 VanDerWaalsContact C-N 3.29Å; Y28-Y30 PolarHBondContact O-N 3.41Å; Y30-L32 HydrophobicContact CD1-CG 4.38Å; Y30-L32 HydrophobicContact CE1-CD1 4.03Å; Y30-L32 HydrophobicContact CE1-CD2 3.71Å; Y30-L32 HydrophobicContact CE1-CG 3.69Å; Y30-T43 HydrophobicContact CE2-CG2 3.99Å; Y30-T43 VanDerWaalsContact CE2-OG1 3.25Å; Y30-T43 WeakPolarHBondContact CE2-OG1 3.25Å; Y30-T43 WeakPolarHBondContact OH-CG2 3.33Å; Y30-T43 PolarHBondContact OH-OG1 2.89Å; Y30-H46 HydrophobicContact CD1-CB 4.12Å; Y30-H46 AromaticContact CD1-CG 3.78Å; Y30-H46 AromaticContact CD1-ND1 3.85Å; Y30-H46 HydrophobicContact CD2-CB 4.16Å; Y30-H46 HydrophobicContact CE1-CB 3.65Å; Y30-H46 AromaticContact CE1-CD2 3.28Å; Y30-H46 WeakPolarHBondContact CE1-CD2 3.16Å; Y30-H46 AromaticContact CE1-CG 3.24Å; Y30-H46 AromaticContact CE1-ND1 3.71Å; Y30-H46 AromaticContact CE1-NE2 3.75Å; Y30-H46 HydrophobicContact CE2-CB 3.7Å; Y30-H46 HydrophobicContact CG-CB 4.34Å; Y30-H46 VanDerWaalsContact CZ-CB 3.41Å; Y30-H46 AromaticContact CZ-CD2 3.58Å; Y30-H46 AromaticContact CZ-CG 3.51Å; Y30-H46 PolarHBondContact OH-CD2 3.06Å
31D98Very high97.6Very high5 Ų539.4 Ų39.43%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-133.1138.2-175.4-73.8-74.3000111.5V7 C9 D10 R21 Y22 K23V7-D31 HydrophobicContact CG1-CB 4.1Å; C9-D31 CarbonylContact C-O 3.34Å; C9-D31 VanDerWaalsContact CA-O 3.31Å; C9-D31 WeakPolarHBondContact CA-O 3.42Å; D10-D31 PolarHBondContact N-O 3.05Å; D10-D31 PolarHBondContact OD2-N 3.17Å; R21-D31 IonicContact CZ-OD1 3.78Å; R21-D31 VanDerWaalsContact CZ-OD1 3.27Å; R21-D31 IonicContact CZ-OD2 3.27Å; R21-D31 IonicContact NE-OD1 3.46Å; R21-D31 PolarHBondContact NE-OD1 3.47Å; R21-D31 IonicContact NE-OD2 3.73Å; R21-D31 IonicContact NH2-OD1 3.67Å; R21-D31 PolarHBondContact NH2-OD1 2.97Å; R21-D31 IonicContact NH2-OD2 3.05Å; R21-D31 PolarHBondContact NH2-OD2 3.31Å; Y22-D31 CarbonylContact O-C 3.56Å; Y22-D31 WeakPolarHBondContact O-CA 3.23Å; K23-D31 WeakPolarHBondContact CA-OD1 3.37Å; K23-D31 WeakPolarHBondContact CB-OD1 3.47Å; K23-D31 WeakPolarHBondContact CE-OD1 3.5Å; K23-D31 IonicContact NZ-OD1 3.44Å; K23-D31 PolarHBondContact NZ-OD1 2.98Å; K23-D31 IonicContact NZ-OD2 2.85Å; K23-D31 PolarHBondContact NZ-OD2 2.83Å
32L98.2Very high97.6Very high1 Ų142.3 Ų42.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-119.9141.8174.6-63179.4000110.4A11 Y22 Y30 C36 M52A11-L32 HydrophobicContact CB-CD2 3.62Å; Y22-L32 PolarHBondContact N-O 3.42Å; Y22-L32 PolarHBondContact O-N 2.93Å; Y30-L32 HydrophobicContact CD1-CG 4.38Å; Y30-L32 HydrophobicContact CE1-CD1 4.03Å; Y30-L32 HydrophobicContact CE1-CD2 3.71Å; Y30-L32 HydrophobicContact CE1-CG 3.69Å; L32-C36 HydrophobicContact CB-CB 4.39Å; L32-C36 HydrophobicContact CD2-CB 4.11Å; L32-M52 HydrophobicContact CD1-CE 4.36Å; L32-M52 HydrophobicContact CG-CE 4.48Å
33C98.1Very high97.5Very high6 Ų643.8 Ų43.84%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-76.2163162.967.60000110.4C9 C12 F17 S35 C36 Y37C9-C33 HydrophobicContact CB-CB 4.11Å; C9-C33 PolarHBondContact SG-N 2.95Å; C9-C33 VanDerWaalsContact SG-N 3.39Å; C9-C33 VanDerWaalsContact SG-SG 3.67Å; C12-C33 VanDerWaalsContact SG-SG 3.68Å; F17-C33 HydrophobicContact CD1-CB 4.12Å; F17-C33 HydrophobicContact CD2-CB 3.62Å; F17-C33 HydrophobicContact CE1-CB 4.14Å; F17-C33 HydrophobicContact CE2-CB 3.65Å; F17-C33 HydrophobicContact CG-CB 3.86Å; F17-C33 HydrophobicContact CZ-CB 3.91Å; C33-S35 VanDerWaalsContact C-N 3.31Å; C33-S35 PolarHBondContact O-N 2.85Å; C33-S35 PolarHBondContact SG-OG 3.38Å; C33-C36 PolarHBondContact O-N 2.97Å; C33-C36 VanDerWaalsContact O-N 3.08Å; C33-C36 VanDerWaalsContact SG-SG 3.66Å; C33-Y37 PolarHBondContact O-N 3.39Å
34A97Very high97.4Very high24 Ų2450.7 Ų50.720%0.19829%0.289CS..Hα-helixtrans-48.9-47.4-179.500000114R20 Y22 C36 Y37 E38R20-A34 HydrophobicContact CB-CB 4.25Å; R20-A34 PolarHBondContact O-N 3.02Å; Y22-A34 HydrophobicContact CE2-CB 4.28Å; A34-C36 VanDerWaalsContact C-N 3.33Å; A34-C36 PolarHBondContact O-N 3.34Å; A34-Y37 PolarHBondContact O-N 3.25Å; A34-E38 WeakPolarHBondContact O-CB 3.44Å; A34-E38 VanDerWaalsContact O-CG 3.22Å; A34-E38 WeakPolarHBondContact O-CG 3.38Å; A34-E38 PolarHBondContact O-N 3.45Å
35S98Very high97.2Very high74 Ų7457.8 Ų57.852%0.51732%0.316SS..Hα-helixtrans-62.7-37.9-178.657.40000113.2C33 S39C33-S35 VanDerWaalsContact C-N 3.31Å; C33-S35 PolarHBondContact O-N 2.85Å; C33-S35 PolarHBondContact SG-OG 3.38Å; S35-S39 VanDerWaalsContact O-CB 3.29Å; S35-S39 WeakPolarHBondContact O-CB 3.33Å; S35-S39 PolarHBondContact O-N 2.87Å; S35-S39 PolarHBondContact O-OG 2.7Å
36C98.4Very high97.2Very high12 Ų1258 Ų588%0.08132%0.317CS..Hα-helixtrans-77.6-34.6-179.9-69.70000112.2C9 A11 C12 L32 C33 A34 S39 G40 A41C9-C36 VanDerWaalsContact SG-SG 3.63Å; A11-C36 HydrophobicContact CB-CB 3.88Å; C12-C36 VanDerWaalsContact CB-SG 3.6Å; L32-C36 HydrophobicContact CB-CB 4.39Å; L32-C36 HydrophobicContact CD2-CB 4.11Å; C33-C36 PolarHBondContact O-N 2.97Å; C33-C36 VanDerWaalsContact O-N 3.08Å; C33-C36 VanDerWaalsContact SG-SG 3.66Å; A34-C36 VanDerWaalsContact C-N 3.33Å; A34-C36 PolarHBondContact O-N 3.34Å; C36-S39 WeakPolarHBondContact CA-OG 3.22Å; C36-S39 PolarHBondContact O-OG 3.28Å; C36-S39 VanDerWaalsContact O-OG 3.08Å; C36-G40 PolarHBondContact O-N 3.34Å; C36-A41 HydrophobicContact CB-CB 3.99Å; C36-A41 WeakPolarHBondContact O-CB 3.45Å; C36-A41 PolarHBondContact O-N 3.48Å
37Y98.2Very high97.2Very high87 Ų8757.2 Ų57.234%0.34132%0.315SS..Hα-helixtrans-64.2-48.8172.4175.5-101.8000110.9Y22 C33 A34 S39 G40 M52Y22-Y37 AromaticContact CD1-CD1 3.78Å; Y22-Y37 HydrophobicContact CD1-CD1 3.78Å; Y22-Y37 AromaticContact CD1-CD2 3.84Å; Y22-Y37 HydrophobicContact CD1-CD2 3.84Å; Y22-Y37 AromaticContact CD1-CE1 3.87Å; Y22-Y37 HydrophobicContact CD1-CE1 3.87Å; Y22-Y37 AromaticContact CD1-CE2 3.94Å; Y22-Y37 HydrophobicContact CD1-CE2 3.94Å; Y22-Y37 AromaticContact CD1-CG 3.75Å; Y22-Y37 HydrophobicContact CD1-CG 3.75Å; Y22-Y37 AromaticContact CD1-CZ 3.94Å; Y22-Y37 AromaticContact CD2-CD1 3.89Å; Y22-Y37 HydrophobicContact CD2-CD1 3.89Å; Y22-Y37 HydrophobicContact CD2-CD2 4.39Å; Y22-Y37 AromaticContact CD2-CG 3.67Å; Y22-Y37 HydrophobicContact CD2-CG 3.67Å; Y22-Y37 AromaticContact CE1-CD1 3.49Å; Y22-Y37 HydrophobicContact CE1-CD1 3.49Å; Y22-Y37 VanDerWaalsContact CE1-CD1 3.49Å; Y22-Y37 HydrophobicContact CE1-CD2 4.37Å; Y22-Y37 AromaticContact CE1-CE1 3.41Å; Y22-Y37 HydrophobicContact CE1-CE1 3.41Å; Y22-Y37 VanDerWaalsContact CE1-CE1 3.41Å; Y22-Y37 HydrophobicContact CE1-CE2 4.3Å; Y22-Y37 AromaticContact CE1-CG 3.98Å; Y22-Y37 HydrophobicContact CE1-CG 3.98Å; Y22-Y37 AromaticContact CE1-CZ 3.83Å; Y22-Y37 AromaticContact CE2-CD1 3.62Å; Y22-Y37 HydrophobicContact CE2-CD1 3.62Å; Y22-Y37 HydrophobicContact CE2-CE1 4.36Å; Y22-Y37 AromaticContact CE2-CG 3.92Å; Y22-Y37 HydrophobicContact CE2-CG 3.92Å; Y22-Y37 AromaticContact CG-CD1 3.95Å; Y22-Y37 HydrophobicContact CG-CD1 3.95Å; Y22-Y37 AromaticContact CG-CD2 3.84Å; Y22-Y37 HydrophobicContact CG-CD2 3.84Å; Y22-Y37 HydrophobicContact CG-CE1 4.5Å; Y22-Y37 HydrophobicContact CG-CE2 4.4Å; Y22-Y37 AromaticContact CG-CG 3.58Å; Y22-Y37 HydrophobicContact CG-CG 3.58Å; Y22-Y37 AromaticContact CZ-CD1 3.39Å; Y22-Y37 AromaticContact CZ-CE1 3.68Å; C33-Y37 PolarHBondContact O-N 3.39Å; A34-Y37 PolarHBondContact O-N 3.25Å; Y37-S39 VanDerWaalsContact C-N 3.32Å; Y37-S39 PolarHBondContact O-N 3.01Å; Y37-G40 PolarHBondContact O-N 2.89Å; Y37-M52 HydrophobicContact CD2-CB 4.49Å; Y37-M52 HydrophobicContact CD2-CE 4.48Å; Y37-M52 HydrophobicContact CD2-CG 4.15Å; Y37-M52 HydrophobicContact CE2-CB 3.88Å; Y37-M52 HydrophobicContact CE2-CG 3.72Å
38E97.8Very high97.2Very high115 Ų11560.8 Ų60.854%0.53734%0.337SS..Hα-helixtrans-66.2-31.8179.9-70.4163.1-162.600112.8R20 A34 G40R20-E38 IonicContact CZ-OE1 3.81Å; R20-E38 IonicContact NH2-OE1 3.56Å; R20-E38 PolarHBondContact NH2-OE1 3.33Å; A34-E38 WeakPolarHBondContact O-CB 3.44Å; A34-E38 VanDerWaalsContact O-CG 3.22Å; A34-E38 WeakPolarHBondContact O-CG 3.38Å; A34-E38 PolarHBondContact O-N 3.45Å; E38-G40 PolarHBondContact O-N 2.95Å
39S97.7Very high97.2Very high88 Ų8859.7 Ų59.762%0.61534%0.341SS*.THydrogen-bonded Turntrans-76.4-3.4173.872.10000113.9S35 C36 Y37S35-S39 VanDerWaalsContact O-CB 3.29Å; S35-S39 WeakPolarHBondContact O-CB 3.33Å; S35-S39 PolarHBondContact O-N 2.87Å; S35-S39 PolarHBondContact O-OG 2.7Å; C36-S39 WeakPolarHBondContact CA-OG 3.22Å; C36-S39 PolarHBondContact O-OG 3.28Å; C36-S39 VanDerWaalsContact O-OG 3.08Å; Y37-S39 VanDerWaalsContact C-N 3.32Å; Y37-S39 PolarHBondContact O-N 3.01Å
40G97.4Very high97.3Very high32 Ų3257.8 Ų57.833%0.3333%0.33SS..THydrogen-bonded Turntrans65.741.4-175.800000113.3C36 Y37 E38 T42C36-G40 PolarHBondContact O-N 3.34Å; Y37-G40 PolarHBondContact O-N 2.89Å; E38-G40 PolarHBondContact O-N 2.95Å; G40-T42 PolarHBondContact O-N 3.35Å
41A97.4Very high97.3Very high20 Ų2058.8 Ų58.817%0.16534%0.336CS..  trans-62.7129.8-179.700000111.7A11 C36A11-A41 HydrophobicContact CB-CB 3.63Å; C36-A41 HydrophobicContact CB-CB 3.99Å; C36-A41 WeakPolarHBondContact O-CB 3.45Å; C36-A41 PolarHBondContact O-N 3.48Å
42T97.2Very high97.3Very high86 Ų8659.4 Ų59.453%0.52834%0.339SS..  trans-121.8155.8178.554.50000110.8G40 H46 T48G40-T42 PolarHBondContact O-N 3.35Å; T42-H46 WeakPolarHBondContact CA-O 3.18Å; T42-T48 HydrophobicContact CG2-CG2 3.85Å
43T95Very high97.3Very high48 Ų4859.5 Ų59.529%0.29434%0.34SS..BIsolated β-bridgetrans-137.3179.7174.462.10000110Y30 R45 H46Y30-T43 HydrophobicContact CE2-CG2 3.99Å; Y30-T43 VanDerWaalsContact CE2-OG1 3.25Å; Y30-T43 WeakPolarHBondContact CE2-OG1 3.25Å; Y30-T43 WeakPolarHBondContact OH-CG2 3.33Å; Y30-T43 PolarHBondContact OH-OG1 2.89Å; T43-R45 PolarHBondContact O-N 3.3Å; T43-R45 VanDerWaalsContact O-N 3.09Å; T43-H46 PolarHBondContact N-O 3.13Å; T43-H46 PolarHBondContact O-N 3.33Å; T43-H46 WeakPolarHBondContact OG1-CB 3.49Å; T43-H46 PolarHBondContact OG1-N 3.33Å
44T95Very high97.1Very high145 Ų14561.1 Ų61.189%0.8935%0.35SS*.THydrogen-bonded Turntrans-58-24.8178.354.10000114.1
45R94.6Very high97Very high149 Ų14960.7 Ų60.756%0.56235%0.345SS*.THydrogen-bonded Turntrans-113.4-5.6-175.252-177.5-173.3-95.1-1.6113.9D10 C27 T43D10-R45 IonicContact OD1-NH2 3.34Å; D10-R45 PolarHBondContact OD1-NH2 3.45Å; C27-R45 PolarHBondContact SG-O 3.22Å; T43-R45 PolarHBondContact O-N 3.3Å; T43-R45 VanDerWaalsContact O-N 3.09Å
46H97.5Very high96.7Very high5 Ų559.3 Ų59.32%0.02333%0.331CS..BIsolated β-bridgetrans-136.6129.1-174.7176.374.9000111.6Y30 T42 T43 H50 M52Y30-H46 HydrophobicContact CD1-CB 4.12Å; Y30-H46 AromaticContact CD1-CG 3.78Å; Y30-H46 AromaticContact CD1-ND1 3.85Å; Y30-H46 HydrophobicContact CD2-CB 4.16Å; Y30-H46 HydrophobicContact CE1-CB 3.65Å; Y30-H46 AromaticContact CE1-CD2 3.28Å; Y30-H46 WeakPolarHBondContact CE1-CD2 3.16Å; Y30-H46 AromaticContact CE1-CG 3.24Å; Y30-H46 AromaticContact CE1-ND1 3.71Å; Y30-H46 AromaticContact CE1-NE2 3.75Å; Y30-H46 HydrophobicContact CE2-CB 3.7Å; Y30-H46 HydrophobicContact CG-CB 4.34Å; Y30-H46 VanDerWaalsContact CZ-CB 3.41Å; Y30-H46 AromaticContact CZ-CD2 3.58Å; Y30-H46 AromaticContact CZ-CG 3.51Å; Y30-H46 PolarHBondContact OH-CD2 3.06Å; T42-H46 WeakPolarHBondContact CA-O 3.18Å; T43-H46 PolarHBondContact N-O 3.13Å; T43-H46 PolarHBondContact O-N 3.33Å; T43-H46 WeakPolarHBondContact OG1-CB 3.49Å; T43-H46 PolarHBondContact OG1-N 3.33Å; H46-H50 AromaticContact ND1-ND1 3.83Å; H46-M52 PolarHBondContact CE1-SD 3.09Å
47T97.6Very high96.3Very high53 Ų5359.2 Ų59.233%0.32533%0.33SS..  trans-114.3162.5170.174.80000110.6D49 H50T47-D49 WeakPolarHBondContact CB-OD2 3.44Å; T47-D49 PolarHBondContact O-N 3.46Å; T47-D49 VanDerWaalsContact O-N 3.09Å; T47-D49 PolarHBondContact OG1-N 2.96Å; T47-D49 PolarHBondContact OG1-OD2 2.83Å; T47-H50 PolarHBondContact O-N 3.27Å
48T97.2Very high95.7Very high86 Ų8664.4 Ų64.453%0.52835%0.349SS..THydrogen-bonded Turntrans-63.7-10.9175.547.10000113.9T42 H50T42-T48 HydrophobicContact CG2-CG2 3.85Å; T48-H50 VanDerWaalsContact C-N 3.35Å
49D97.3Very high95.1Very high130 Ų13061.1 Ų61.170%0.69534%0.337SS*.THydrogen-bonded Turntrans-86-14.4-177.4-32.8-51.2000111.6T47T47-D49 WeakPolarHBondContact CB-OD2 3.44Å; T47-D49 PolarHBondContact O-N 3.46Å; T47-D49 VanDerWaalsContact O-N 3.09Å; T47-D49 PolarHBondContact OG1-N 2.96Å; T47-D49 PolarHBondContact OG1-OD2 2.83Å
50H97.7Very high94.7Very high47 Ų4757.8 Ų57.822%0.21831%0.312CS..SBendtrans-70.8133.9177.2-70.8-167.3000110.3C24 I26 C27 H46 T47 T48C24-H50 VanDerWaalsContact SG-CB 3.56Å; I26-H50 HydrophobicContact CG1-CB 4.27Å; C27-H50 VanDerWaalsContact SG-CE1 3.52Å; C27-H50 PolarHBondContact SG-ND1 3.38Å; H46-H50 AromaticContact ND1-ND1 3.83Å; T47-H50 PolarHBondContact O-N 3.27Å; T48-H50 VanDerWaalsContact C-N 3.35Å
51P97.9Very high94.1Very high22 Ų2258.3 Ų58.314%0.14331%0.306CS..  trans-64.1137.9175.323.4-30.5000111.4L25 I26 T79 P81L25-P51 HydrophobicContact CB-CG 4.36Å; L25-P51 WeakPolarHBondContact CB-O 3.35Å; L25-P51 HydrophobicContact CD1-CB 4.46Å; L25-P51 PolarHBondContact N-O 3.23Å; I26-P51 HydrophobicContact CD1-CG 4.21Å; I26-P51 HydrophobicContact CG1-CG 4.08Å; P51-T79 HydrophobicContact CB-CG2 4.21Å; P51-P81 WeakPolarHBondContact CG-O 3.38Å
52M97.9Very high93.4Very high17 Ų1761.6 Ų61.68%0.08432%0.321CS..EExtended strand (participates in β ladder)trans-122.2132.5-174.3-63.9-67.3-60.700110.4Y22 K23 C24 L32 Y37 H46 T79Y22-M52 VanDerWaalsContact CB-CE 3.48Å; Y22-M52 HydrophobicContact CD1-CB 4.49Å; Y22-M52 WeakPolarHBondContact O-CE 3.5Å; K23-M52 VanDerWaalsContact C-CE 3.46Å; K23-M52 CarbonylContact O-C 3.56Å; K23-M52 WeakPolarHBondContact O-CA 3.4Å; C24-M52 WeakPolarHBondContact CA-SD 3.44Å; C24-M52 HydrophobicContact CB-CE 4.3Å; C24-M52 HydrophobicContact CB-SD 3.63Å; L32-M52 HydrophobicContact CD1-CE 4.36Å; L32-M52 HydrophobicContact CG-CE 4.48Å; Y37-M52 HydrophobicContact CD2-CB 4.49Å; Y37-M52 HydrophobicContact CD2-CE 4.48Å; Y37-M52 HydrophobicContact CD2-CG 4.15Å; Y37-M52 HydrophobicContact CE2-CB 3.88Å; Y37-M52 HydrophobicContact CE2-CG 3.72Å; H46-M52 PolarHBondContact CE1-SD 3.09Å; M52-T79 PolarHBondContact O-OG1 3.23Å
53Q97.5Very high92.8Very high3 Ų363.6 Ų63.61%0.01433%0.327CS..EExtended strand (participates in β ladder)trans-92.4123.9170.9-179.658.347.600110.5Y22 K23 L25 I55 S77 P111Y22-Q53 CarbonylContact C-O 3.54Å; Y22-Q53 WeakPolarHBondContact CA-O 3.45Å; K23-Q53 PolarHBondContact N-O 3.13Å; K23-Q53 PolarHBondContact O-N 3.09Å; L25-Q53 HydrophobicContact CD1-CB 4.27Å; L25-Q53 HydrophobicContact CD2-CB 3.78Å; L25-Q53 HydrophobicContact CG-CB 4.16Å; Q53-I55 HydrophobicContact CG-CG1 4.16Å; Q53-S77 PolarHBondContact NE2-O 3.16Å; Q53-P111 HydrophobicContact CB-CB 4.34Å; Q53-P111 HydrophobicContact CG-CB 4.12Å
54C95.8Very high91.9Very high40 Ų4068.4 Ų68.427%0.2734%0.341SS..EExtended strand (participates in β ladder)trans-79128.2170.5-173.70000109.8R21 Y22R21-C54 CarbonylContact O-C 3.56Å; R21-C54 WeakPolarHBondContact O-CA 3.49Å; Y22-C54 HydrophobicContact CD1-CB 4.22Å; Y22-C54 HydrophobicContact CE1-CB 3.94Å
55I94Very high91.1Very high16 Ų1666.7 Ų66.78%0.08232%0.319CS..EExtended strand (participates in β ladder)trans-123122.1178.7-55.8169.9000107.7H4 R21 K23 Q53 A114 A115H4-I55 PolarHBondContact CE1-O 3.41Å; H4-I55 PolarHBondContact NE2-O 3.4Å; R21-I55 HydrophobicContact CB-CB 4.32Å; R21-I55 PolarHBondContact N-O 2.93Å; R21-I55 PolarHBondContact O-N 3.44Å; K23-I55 HydrophobicContact CB-CD1 3.99Å; Q53-I55 HydrophobicContact CG-CG1 4.16Å; I55-A114 HydrophobicContact CD1-CB 4.39Å; I55-A114 WeakPolarHBondContact CD1-O 3.26Å; I55-A115 HydrophobicContact CG1-CB 4.17Å
56L91.5Very high89.5Confident45 Ų4562.3 Ų62.324%0.23632%0.32CS..  trans-98.6145.7177.7-60.6-178.8000110.2R20 F61 Y64 Y65R20-L56 HydrophobicContact CB-CD2 4.35Å; R20-L56 HydrophobicContact CG-CD2 3.68Å; L56-F61 HydrophobicContact CB-CB 4.18Å; L56-F61 HydrophobicContact CD1-CD2 4.19Å; L56-Y64 HydrophobicContact CD1-CD2 4.36Å; L56-Y65 HydrophobicContact CD1-CE2 3.8Å
57T89.4Confident87.6Confident9 Ų965.7 Ų65.76%0.05536%0.357CS..  trans-67.9156164.574.80000109.1H4 V59 D60 F61H4-T57 WeakPolarHBondContact NE2-CG2 3.41Å; T57-V59 PolarHBondContact O-N 2.96Å; T57-D60 WeakPolarHBondContact CG2-OD2 3.44Å; T57-D60 PolarHBondContact O-N 3.12Å; T57-D60 VanDerWaalsContact O-N 3.13Å; T57-D60 WeakPolarHBondContact OG1-CB 3.4Å; T57-D60 PolarHBondContact OG1-N 3.28Å; T57-D60 VanDerWaalsContact OG1-N 3.12Å; T57-D60 PolarHBondContact OG1-OD2 3.2Å; T57-F61 VanDerWaalsContact O-CB 3.28Å; T57-F61 WeakPolarHBondContact O-CB 3.27Å; T57-F61 PolarHBondContact O-N 3.37Å
58R85.3Confident85.7Confident196 Ų19670.2 Ų70.274%0.7437%0.374SS*.Hα-helixtrans-54.7-39.7176.8-173.9169.9-176.3144.91.5112.5F61 D62R58-F61 WeakPolarHBondContact O-CB 3.3Å; R58-F61 PolarHBondContact O-N 3.5Å; R58-D62 WeakPolarHBondContact O-CB 3.14Å; R58-D62 PolarHBondContact O-N 3.21Å
59V86.8Confident83.4Confident47 Ų4771 Ų7129%0.28539%0.39SS..Hα-helixtrans-67.7-44.6179177.30000111T57 F61 D62 L63T57-V59 PolarHBondContact O-N 2.96Å; V59-F61 VanDerWaalsContact C-N 3.31Å; V59-F61 PolarHBondContact O-N 3.46Å; V59-D62 PolarHBondContact O-N 3.19Å; V59-L63 HydrophobicContact CG1-CD1 4.07Å; V59-L63 WeakPolarHBondContact O-CB 3.46Å; V59-L63 VanDerWaalsContact O-CG 3.23Å; V59-L63 WeakPolarHBondContact O-CG 3.36Å; V59-L63 PolarHBondContact O-N 3.28Å
60D88.8Confident81.4Confident17 Ų1770.7 Ų70.79%0.09138%0.382CS..Hα-helixtrans-65.8-39.4177.7-61.9-42.3000110.8G19 T57 L63 Y64G19-D60 VanDerWaalsContact CA-OD2 3.24Å; G19-D60 WeakPolarHBondContact CA-OD2 3.28Å; G19-D60 PolarHBondContact N-OD2 3.37Å; G19-D60 VanDerWaalsContact N-OD2 3.11Å; T57-D60 WeakPolarHBondContact CG2-OD2 3.44Å; T57-D60 PolarHBondContact O-N 3.12Å; T57-D60 VanDerWaalsContact O-N 3.13Å; T57-D60 WeakPolarHBondContact OG1-CB 3.4Å; T57-D60 PolarHBondContact OG1-N 3.28Å; T57-D60 VanDerWaalsContact OG1-N 3.12Å; T57-D60 PolarHBondContact OG1-OD2 3.2Å; D60-L63 PolarHBondContact O-N 2.9Å; D60-Y64 HydrophobicContact CB-CD2 4.26Å; D60-Y64 HydrophobicContact CB-CE2 4.22Å; D60-Y64 WeakPolarHBondContact O-CB 3.1Å; D60-Y64 WeakPolarHBondContact O-CD2 3.42Å; D60-Y64 PolarHBondContact O-N 2.85Å
61F83.9Confident79.3Confident44 Ų4472.6 Ų72.619%0.19340%0.401CS..Hα-helixtrans-56.5-53174.1-178.9-86.4000111.3L56 T57 R58 V59 L63 Y64 Y65 P75L56-F61 HydrophobicContact CB-CB 4.18Å; L56-F61 HydrophobicContact CD1-CD2 4.19Å; T57-F61 VanDerWaalsContact O-CB 3.28Å; T57-F61 WeakPolarHBondContact O-CB 3.27Å; T57-F61 PolarHBondContact O-N 3.37Å; R58-F61 WeakPolarHBondContact O-CB 3.3Å; R58-F61 PolarHBondContact O-N 3.5Å; V59-F61 VanDerWaalsContact C-N 3.31Å; V59-F61 PolarHBondContact O-N 3.46Å; F61-L63 VanDerWaalsContact C-N 3.26Å; F61-L63 PolarHBondContact O-N 3.44Å; F61-Y64 PolarHBondContact O-N 3.03Å; F61-Y65 AromaticContact CD2-CD2 3.58Å; F61-Y65 HydrophobicContact CD2-CD2 3.58Å; F61-Y65 AromaticContact CD2-CE2 3.82Å; F61-Y65 HydrophobicContact CD2-CE2 3.82Å; F61-Y65 HydrophobicContact CE1-CD2 4.31Å; F61-Y65 AromaticContact CE2-CD2 3.12Å; F61-Y65 HydrophobicContact CE2-CD2 3.12Å; F61-Y65 AromaticContact CE2-CE2 3.45Å; F61-Y65 HydrophobicContact CE2-CE2 3.45Å; F61-Y65 VanDerWaalsContact CE2-CE2 3.45Å; F61-Y65 AromaticContact CE2-CG 3.89Å; F61-Y65 HydrophobicContact CE2-CG 3.89Å; F61-Y65 HydrophobicContact CG-CD2 4.24Å; F61-Y65 AromaticContact CZ-CD2 3.46Å; F61-Y65 HydrophobicContact CZ-CD2 3.46Å; F61-Y65 VanDerWaalsContact CZ-CD2 3.46Å; F61-Y65 HydrophobicContact CZ-CE2 4.23Å; F61-Y65 AromaticContact CZ-CG 3.79Å; F61-Y65 HydrophobicContact CZ-CG 3.79Å; F61-Y65 WeakPolarHBondContact O-CD2 3.32Å; F61-Y65 PolarHBondContact O-N 3.47Å; F61-P75 HydrophobicContact CD2-CG 4.37Å; F61-P75 HydrophobicContact CE1-CB 4.24Å; F61-P75 HydrophobicContact CE1-CG 3.63Å; F61-P75 HydrophobicContact CE2-CB 3.36Å; F61-P75 HydrophobicContact CE2-CG 3.3Å; F61-P75 WeakPolarHBondContact CE2-O 3.49Å; F61-P75 HydrophobicContact CZ-CB 3.12Å; F61-P75 HydrophobicContact CZ-CG 2.9Å
62D83.9Confident77.2Confident89 Ų8978.9 Ų78.948%0.47644%0.438SS..Hα-helixtrans-61.4-35179.6-65.6-23000111.9R58 V59 G66R58-D62 WeakPolarHBondContact O-CB 3.14Å; R58-D62 PolarHBondContact O-N 3.21Å; V59-D62 PolarHBondContact O-N 3.19Å; D62-G66 WeakPolarHBondContact O-CA 3.38Å; D62-G66 PolarHBondContact O-N 2.86Å
63L84.3Confident75.2Confident128 Ų12886.5 Ų86.567%0.6747%0.474SS*.Hα-helixtrans-72.2-44.6177.3-71.8171.3000113.2V59 D60 F61V59-L63 HydrophobicContact CG1-CD1 4.07Å; V59-L63 WeakPolarHBondContact O-CB 3.46Å; V59-L63 VanDerWaalsContact O-CG 3.23Å; V59-L63 WeakPolarHBondContact O-CG 3.36Å; V59-L63 PolarHBondContact O-N 3.28Å; D60-L63 PolarHBondContact O-N 2.9Å; F61-L63 VanDerWaalsContact C-N 3.26Å; F61-L63 PolarHBondContact O-N 3.44Å
64Y76.8Confident73.1Confident148 Ų14892 Ų9258%0.5850%0.5SS*.Hα-helixtrans-72.3-34.4-178.4-78.5-63.4000112.5L56 D60 F61L56-Y64 HydrophobicContact CD1-CD2 4.36Å; D60-Y64 HydrophobicContact CB-CD2 4.26Å; D60-Y64 HydrophobicContact CB-CE2 4.22Å; D60-Y64 WeakPolarHBondContact O-CB 3.1Å; D60-Y64 WeakPolarHBondContact O-CD2 3.42Å; D60-Y64 PolarHBondContact O-N 2.85Å; F61-Y64 PolarHBondContact O-N 3.03Å
65Y76.8Confident71.4Confident109 Ų10992.2 Ų92.243%0.42750%0.5SS..Hα-helixtrans-105.9-4.3-176.2-61.3-77.8000114.1L56 F61 G67L56-Y65 HydrophobicContact CD1-CE2 3.8Å; F61-Y65 AromaticContact CD2-CD2 3.58Å; F61-Y65 HydrophobicContact CD2-CD2 3.58Å; F61-Y65 AromaticContact CD2-CE2 3.82Å; F61-Y65 HydrophobicContact CD2-CE2 3.82Å; F61-Y65 HydrophobicContact CE1-CD2 4.31Å; F61-Y65 AromaticContact CE2-CD2 3.12Å; F61-Y65 HydrophobicContact CE2-CD2 3.12Å; F61-Y65 AromaticContact CE2-CE2 3.45Å; F61-Y65 HydrophobicContact CE2-CE2 3.45Å; F61-Y65 VanDerWaalsContact CE2-CE2 3.45Å; F61-Y65 AromaticContact CE2-CG 3.89Å; F61-Y65 HydrophobicContact CE2-CG 3.89Å; F61-Y65 HydrophobicContact CG-CD2 4.24Å; F61-Y65 AromaticContact CZ-CD2 3.46Å; F61-Y65 HydrophobicContact CZ-CD2 3.46Å; F61-Y65 VanDerWaalsContact CZ-CD2 3.46Å; F61-Y65 HydrophobicContact CZ-CE2 4.23Å; F61-Y65 AromaticContact CZ-CG 3.79Å; F61-Y65 HydrophobicContact CZ-CG 3.79Å; F61-Y65 WeakPolarHBondContact O-CD2 3.32Å; F61-Y65 PolarHBondContact O-N 3.47Å; Y65-G67 PolarHBondContact O-N 3.28Å
66G61.9Low70.4Confident57 Ų5795 Ų9559%0.58851%0.513SS*.THydrogen-bonded Turntrans71.325.1134.100000118.9D62D62-G66 WeakPolarHBondContact O-CA 3.38Å; D62-G66 PolarHBondContact O-N 2.86Å
67G57.3Low70.3Confident77 Ų7795.4 Ų95.479%0.79452%0.52SS*.THydrogen-bonded Turntrans89.36.216000000117.6Y65Y65-G67 PolarHBondContact O-N 3.28Å
68E58.9Low70.6Confident148 Ų14895.5 Ų95.569%0.69252%0.519SS*.SBendtrans-77.8133.6155.6-66.5-146.8158.500108.5F70E68-F70 PolarHBondContact O-N 3.49Å
69A48.9Very low71.2Confident103 Ų10386.5 Ų86.585%0.85149%0.486SS*.  trans-6875.1-177.100000111.2S71A69-S71 PolarHBondContact O-N 3.05Å
70F54.4Low71.7Confident122 Ų12284.2 Ų84.254%0.53547%0.473SS..  trans-60.5122.4156.4-83.9-84.6000106.6E68 V72 Q74E68-F70 PolarHBondContact O-N 3.49Å; F70-V72 PolarHBondContact O-N 3.01Å; F70-Q74 WeakPolarHBondContact CD1-O 3.5Å
71S54Low72.1Confident88 Ų8883.6 Ų83.662%0.61547%0.469SS*.  trans-55.1141.6172.9-62.90000107.9A69 E73 Q74A69-S71 PolarHBondContact O-N 3.05Å; S71-E73 PolarHBondContact O-N 3.24Å; S71-Q74 PolarHBondContact O-N 3.47Å
72V53.1Low72.7Confident153 Ų15383.5 Ų83.593%0.92747%0.468SS*.THydrogen-bonded Turntrans-49.4-17-174.81760000113.3F70F70-V72 PolarHBondContact O-N 3.01Å
73E55.9Low73.3Confident178 Ų17881.7 Ų81.783%0.83246%0.462SS*.THydrogen-bonded Turntrans-72.8-18174.7-110.898.1-157.200117.4S71S71-E73 PolarHBondContact O-N 3.24Å
74Q54.2Low73.9Confident118 Ų11877.1 Ų77.155%0.55145%0.445SS*.  trans-144.970.8-156.3-146.1168.49700117.7F70 S71 T89F70-Q74 WeakPolarHBondContact CD1-O 3.5Å; S71-Q74 PolarHBondContact O-N 3.47Å; Q74-T89 HydrophobicContact CG-CG2 4.44Å
75P59.1Low74.9Confident44 Ų4475.1 Ų75.129%0.28644%0.439SS..  trans-152.526.5154.543.1-26.7000116.7F61F61-P75 HydrophobicContact CD2-CG 4.37Å; F61-P75 HydrophobicContact CE1-CB 4.24Å; F61-P75 HydrophobicContact CE1-CG 3.63Å; F61-P75 HydrophobicContact CE2-CB 3.36Å; F61-P75 HydrophobicContact CE2-CG 3.3Å; F61-P75 WeakPolarHBondContact CE2-O 3.49Å; F61-P75 HydrophobicContact CZ-CB 3.12Å; F61-P75 HydrophobicContact CZ-CG 2.9Å
76Q72.6Confident75.7Confident74 Ų7476.2 Ų76.235%0.34645%0.45SS..  trans-95.8113.2168.1-63.2-166.227.600109.5F78Q76-F78 HydrophobicContact CB-CE1 3.89Å; Q76-F78 HydrophobicContact CB-CE2 4.13Å; Q76-F78 HydrophobicContact CB-CZ 3.62Å; Q76-F78 PolarHBondContact O-N 2.77Å
77S90.2Very high77.2Confident54 Ų5476 Ų7638%0.37845%0.448SS..  trans-80.5113.3169.151.40000109.1Q53Q53-S77 PolarHBondContact NE2-O 3.16Å
78F95.7Very high79Confident11 Ų1174.3 Ų74.35%0.04842%0.418CS..EExtended strand (participates in β ladder)trans-89.2149.7177.3-58.9-65.6000111.5Q76 G87 Y88 E90 L93 P111 I112 A115Q76-F78 HydrophobicContact CB-CE1 3.89Å; Q76-F78 HydrophobicContact CB-CE2 4.13Å; Q76-F78 HydrophobicContact CB-CZ 3.62Å; Q76-F78 PolarHBondContact O-N 2.77Å; F78-G87 PolarHBondContact O-N 2.94Å; F78-G87 VanDerWaalsContact O-N 3.17Å; F78-Y88 PolarHBondContact N-O 2.96Å; F78-Y88 PolarHBondContact O-N 3.4Å; F78-E90 HydrophobicContact CE2-CB 4.21Å; F78-L93 HydrophobicContact CB-CD2 3.87Å; F78-L93 HydrophobicContact CG-CD2 4.48Å; F78-P111 HydrophobicContact CB-CB 4.49Å; F78-P111 HydrophobicContact CB-CG 4.48Å; F78-P111 HydrophobicContact CD1-CB 4.23Å; F78-I112 HydrophobicContact CD1-CG1 4.08Å; F78-I112 HydrophobicContact CD2-CG1 4.18Å; F78-I112 HydrophobicContact CE1-CB 4.26Å; F78-I112 HydrophobicContact CE1-CG1 4.04Å; F78-I112 HydrophobicContact CE1-CG2 4.38Å; F78-I112 HydrophobicContact CE2-CD1 4.48Å; F78-I112 HydrophobicContact CE2-CG1 4.12Å; F78-I112 HydrophobicContact CG-CG1 4.15Å; F78-I112 HydrophobicContact CZ-CB 4.32Å; F78-I112 HydrophobicContact CZ-CG1 4.05Å; F78-I112 HydrophobicContact CZ-CG2 4.03Å; F78-A115 HydrophobicContact CE1-CB 4.18Å
79T97.6Very high80.6Confident7 Ų769.9 Ų69.94%0.04340%0.401CS..EExtended strand (participates in β ladder)trans-104.8130.5176.1-56.10000109.3L25 P51 M52 P81 K85 M86 P111L25-T79 HydrophobicContact CD1-CG2 4.33Å; L25-T79 WeakPolarHBondContact CD1-O 3.3Å; P51-T79 HydrophobicContact CB-CG2 4.21Å; M52-T79 PolarHBondContact O-OG1 3.23Å; T79-P81 WeakPolarHBondContact O-CD 3.34Å; T79-K85 CarbonylContact C-O 3.59Å; T79-K85 WeakPolarHBondContact CA-O 3.38Å; T79-M86 HydrophobicContact CG2-CB 4.5Å; T79-P111 WeakPolarHBondContact O-CG 3.37Å
80C97.5Very high82.6Confident0 Ų068 Ų680%038%0.375CS..  trans-66.8122.8174.2178.90000109.7Y82 C83 G84 K85 Y88 L93 H96C80-Y82 PolarHBondContact O-N 3.32Å; C80-C83 VanDerWaalsContact SG-SG 3.63Å; C80-G84 VanDerWaalsContact O-CA 3.3Å; C80-G84 WeakPolarHBondContact O-CA 3.48Å; C80-G84 PolarHBondContact O-N 2.95Å; C80-K85 PolarHBondContact N-O 2.82Å; C80-Y88 HydrophobicContact CB-CD2 4.44Å; C80-Y88 HydrophobicContact CB-CE2 4.03Å; C80-L93 HydrophobicContact CB-CD1 4.06Å; C80-H96 VanDerWaalsContact SG-CD2 3.6Å; C80-H96 PolarHBondContact SG-NE2 2.81Å
81P97.5Very high84.4Confident3 Ų365.5 Ų65.52%0.01937%0.37CS..THydrogen-bonded Turntrans-71.4-14.5-178.831.2-37.1000113.2L25 P51 T79 V108 F128L25-P81 HydrophobicContact CB-CB 3.89Å; L25-P81 HydrophobicContact CD1-CB 4.06Å; P51-P81 WeakPolarHBondContact CG-O 3.38Å; T79-P81 WeakPolarHBondContact O-CD 3.34Å; P81-V108 HydrophobicContact CB-CB 3.72Å; P81-V108 HydrophobicContact CB-CG1 3.85Å; P81-V108 HydrophobicContact CB-CG2 4.13Å; P81-V108 HydrophobicContact CG-CB 4.02Å; P81-V108 HydrophobicContact CG-CG1 4.28Å; P81-V108 HydrophobicContact CG-CG2 3.84Å; P81-F128 VanDerWaalsContact CD-CE1 3.46Å; P81-F128 HydrophobicContact CG-CD1 3.7Å; P81-F128 HydrophobicContact CG-CE1 3.48Å; P81-F128 VanDerWaalsContact CG-CE1 3.48Å; P81-F128 HydrophobicContact CG-CG 4.36Å; P81-F128 HydrophobicContact CG-CZ 4Å
82Y97.1Very high86.3Confident42 Ų4263 Ų6317%0.16535%0.352CS..THydrogen-bonded Turntrans-89.6-39.6179.4-62.4-51.1000113.5C80 V97 H101 T104 T106 V108 F128C80-Y82 PolarHBondContact O-N 3.32Å; Y82-V97 HydrophobicContact CD2-CG1 4.42Å; Y82-V97 HydrophobicContact CE2-CG1 4.05Å; Y82-H101 HydrophobicContact CD2-CB 3.68Å; Y82-H101 AromaticContact CD2-CD2 3.96Å; Y82-H101 AromaticContact CD2-CG 3.76Å; Y82-H101 HydrophobicContact CE2-CB 4.2Å; Y82-H101 HydrophobicContact CG-CB 4.42Å; Y82-T104 WeakPolarHBondContact CE2-OG1 3.4Å; Y82-T106 WeakPolarHBondContact CD1-OG1 3.45Å; Y82-T106 WeakPolarHBondContact CE1-OG1 3.25Å; Y82-V108 HydrophobicContact CD1-CG1 3.89Å; Y82-V108 HydrophobicContact CE1-CB 4.47Å; Y82-V108 HydrophobicContact CE1-CG1 3.58Å; Y82-V108 HydrophobicContact CE1-CG2 4.02Å; Y82-F128 HydrophobicContact CD2-CD1 4.38Å; Y82-F128 HydrophobicContact CE2-CB 3.91Å; Y82-F128 AromaticContact CE2-CD1 3.8Å; Y82-F128 HydrophobicContact CE2-CD1 3.8Å; Y82-F128 HydrophobicContact CE2-CG 4.33Å; Y82-F128 WeakPolarHBondContact OH-CB 3.5Å
83C96.6Very high88.3Confident52 Ų5255.7 Ų55.735%0.35131%0.308SS..THydrogen-bonded Turntrans-120-4.6-175.168.50000115C80 K85 H96C80-C83 VanDerWaalsContact SG-SG 3.63Å; C83-K85 PolarHBondContact O-N 2.8Å; C83-K85 VanDerWaalsContact O-N 3.15Å; C83-K85 VanDerWaalsContact SG-CG 3.57Å; C83-H96 PolarHBondContact SG-NE2 3Å
84G96.7Very high90.1Very high31 Ų3148.2 Ų48.232%0.3227%0.273SS..  trans69.93.9179.300000115.8C80 M86C80-G84 VanDerWaalsContact O-CA 3.3Å; C80-G84 WeakPolarHBondContact O-CA 3.48Å; C80-G84 PolarHBondContact O-N 2.95Å; G84-M86 PolarHBondContact O-N 3.31Å
85K97.1Very high92.1Very high106 Ų10648.5 Ų48.546%0.46127%0.274SS..  trans-62.8135.3171-67.1175.8-1721710109.2T79 C80 C83 Y88T79-K85 CarbonylContact C-O 3.59Å; T79-K85 WeakPolarHBondContact CA-O 3.38Å; C80-K85 PolarHBondContact N-O 2.82Å; C83-K85 PolarHBondContact O-N 2.8Å; C83-K85 VanDerWaalsContact O-N 3.15Å; C83-K85 VanDerWaalsContact SG-CG 3.57Å; K85-Y88 HydrophobicContact CB-CE2 3.64Å; K85-Y88 WeakPolarHBondContact CB-OH 3.48Å; K85-Y88 WeakPolarHBondContact CD-OH 3.36Å; K85-Y88 VanDerWaalsContact O-CE2 3.25Å; K85-Y88 WeakPolarHBondContact O-CE2 3.48Å
86M94.3Very high93.8Very high133 Ų13347.1 Ų47.166%0.65526%0.264SS*.EExtended strand (participates in β ladder)trans-114.7168.7-179.566.3174.868.500111.5T79 G84T79-M86 HydrophobicContact CG2-CB 4.5Å; G84-M86 PolarHBondContact O-N 3.31Å
87G93.3Very high95Very high53 Ų5343.6 Ų43.655%0.54625%0.248SC..EExtended strand (participates in β ladder)trans96.617.1176.500000114F78F78-G87 PolarHBondContact O-N 2.94Å; F78-G87 VanDerWaalsContact O-N 3.17Å
88Y94.6Very high95.1Very high40 Ų4044.7 Ų44.716%0.15725%0.252CS..EExtended strand (participates in β ladder)trans-85.6142.5175.9-60.3-73000111.4F78 C80 K85 S92 L93 H96F78-Y88 PolarHBondContact N-O 2.96Å; F78-Y88 PolarHBondContact O-N 3.4Å; C80-Y88 HydrophobicContact CB-CD2 4.44Å; C80-Y88 HydrophobicContact CB-CE2 4.03Å; K85-Y88 HydrophobicContact CB-CE2 3.64Å; K85-Y88 WeakPolarHBondContact CB-OH 3.48Å; K85-Y88 WeakPolarHBondContact CD-OH 3.36Å; K85-Y88 VanDerWaalsContact O-CE2 3.25Å; K85-Y88 WeakPolarHBondContact O-CE2 3.48Å; Y88-S92 WeakPolarHBondContact CA-OG 3.48Å; Y88-L93 HydrophobicContact CD2-CD1 3.96Å; Y88-L93 HydrophobicContact CG-CB 4.34Å; Y88-L93 HydrophobicContact CG-CD1 4.17Å; Y88-H96 HydrophobicContact CD1-CB 4.13Å; Y88-H96 HydrophobicContact CE1-CB 3.66Å; Y88-H96 AromaticContact CE1-CG 3.72Å; Y88-H96 AromaticContact CE2-CD2 3.8Å; Y88-H96 AromaticContact CZ-CD2 3.59Å; Y88-H96 AromaticContact CZ-CG 3.56Å; Y88-H96 AromaticContact CZ-ND1 3.97Å; Y88-H96 PolarHBondContact OH-CE1 3.29Å; Y88-H96 PolarHBondContact OH-ND1 3.14Å
89T92.5Very high95.1Very high56 Ų5648 Ų4834%0.34428%0.277SS..  trans-80.1169.3159.261.90000108.5Q74 T91 S92 L93Q74-T89 HydrophobicContact CG-CG2 4.44Å; T89-T91 PolarHBondContact O-N 3.48Å; T89-S92 PolarHBondContact N-OG 3.46Å; T89-S92 PolarHBondContact O-N 2.88Å; T89-S92 PolarHBondContact OG1-N 3.4Å; T89-S92 PolarHBondContact OG1-OG 3.15Å; T89-L93 VanDerWaalsContact O-CB 3.25Å; T89-L93 WeakPolarHBondContact O-CB 3.4Å; T89-L93 PolarHBondContact O-N 3.24Å
90E91.9Very high95.1Very high63 Ų6353.4 Ų53.429%0.29430%0.301SS..Hα-helixtrans-51.1-46.5174.3174.5163.4-143.100111.6F78 Q94 I112 H136F78-E90 HydrophobicContact CE2-CB 4.21Å; E90-Q94 PolarHBondContact O-N 3.39Å; E90-Q94 VanDerWaalsContact O-N 3.16Å; E90-I112 HydrophobicContact CB-CD1 4.05Å; E90-I112 HydrophobicContact CG-CD1 3.74Å; E90-H136 VanDerWaalsContact CD-O 3.27Å; E90-H136 HydrophobicContact CG-CB 4.22Å; E90-H136 WeakPolarHBondContact CG-O 3.49Å; E90-H136 VanDerWaalsContact OE1-CA 3.28Å; E90-H136 WeakPolarHBondContact OE1-CA 3.24Å; E90-H136 WeakPolarHBondContact OE1-CB 3.38Å; E90-H136 IonicContact OE1-CG 3.5Å; E90-H136 IonicContact OE1-ND1 3.2Å; E90-H136 PolarHBondContact OE1-ND1 2.95Å
91T91.4Very high95Very high70 Ų7054.9 Ų54.943%0.42931%0.308SS..Hα-helixtrans-65.2-49.1177.1-47.60000113T89 L93 Q94 E95T89-T91 PolarHBondContact O-N 3.48Å; T91-L93 VanDerWaalsContact C-N 3.28Å; T91-L93 PolarHBondContact O-N 3.5Å; T91-Q94 WeakPolarHBondContact O-CB 3.21Å; T91-Q94 PolarHBondContact O-N 2.92Å; T91-E95 WeakPolarHBondContact O-CG 3.31Å; T91-E95 PolarHBondContact O-N 2.89Å
92S93.8Very high94.6Very high34 Ų3458.4 Ų58.424%0.23834%0.338CS..Hα-helixtrans-72.9-23.4-176.569.90000112.7Y88 T89 H96Y88-S92 WeakPolarHBondContact CA-OG 3.48Å; T89-S92 PolarHBondContact N-OG 3.46Å; T89-S92 PolarHBondContact O-N 2.88Å; T89-S92 PolarHBondContact OG1-N 3.4Å; T89-S92 PolarHBondContact OG1-OG 3.15Å; S92-H96 WeakPolarHBondContact O-CB 3.2Å; S92-H96 PolarHBondContact O-N 3.07Å
93L95Very high94.2Very high0 Ų065.4 Ų65.40%037%0.372CS..Hα-helixtrans-67.1-46170.3-177.161.4000110.3F78 C80 Y88 T89 T91 E95 H96 V97 P111 I112 F128 L132F78-L93 HydrophobicContact CB-CD2 3.87Å; F78-L93 HydrophobicContact CG-CD2 4.48Å; C80-L93 HydrophobicContact CB-CD1 4.06Å; Y88-L93 HydrophobicContact CD2-CD1 3.96Å; Y88-L93 HydrophobicContact CG-CB 4.34Å; Y88-L93 HydrophobicContact CG-CD1 4.17Å; T89-L93 VanDerWaalsContact O-CB 3.25Å; T89-L93 WeakPolarHBondContact O-CB 3.4Å; T89-L93 PolarHBondContact O-N 3.24Å; T91-L93 VanDerWaalsContact C-N 3.28Å; T91-L93 PolarHBondContact O-N 3.5Å; L93-E95 VanDerWaalsContact C-N 3.34Å; L93-E95 PolarHBondContact O-N 2.77Å; L93-H96 PolarHBondContact O-N 3.08Å; L93-V97 HydrophobicContact CD1-CG2 4.01Å; L93-V97 HydrophobicContact CG-CG2 4.29Å; L93-V97 WeakPolarHBondContact O-CB 3.14Å; L93-V97 VanDerWaalsContact O-CG2 3.22Å; L93-V97 WeakPolarHBondContact O-CG2 3.3Å; L93-V97 PolarHBondContact O-N 3.37Å; L93-P111 HydrophobicContact CD2-CG 3.8Å; L93-I112 HydrophobicContact CD2-CD1 4.25Å; L93-I112 HydrophobicContact CD2-CG1 4.25Å; L93-F128 HydrophobicContact CD2-CE1 4.41Å; L93-F128 HydrophobicContact CD2-CZ 4Å; L93-L132 HydrophobicContact CG-CD1 4.29Å
94Q94.2Very high94Very high22 Ų2265.5 Ų65.510%0.10337%0.371CS..Hα-helixtrans-58.7-46.5176-175.1178.916.800111.4E90 T91 T98 L132 T133E90-Q94 PolarHBondContact O-N 3.39Å; E90-Q94 VanDerWaalsContact O-N 3.16Å; T91-Q94 WeakPolarHBondContact O-CB 3.21Å; T91-Q94 PolarHBondContact O-N 2.92Å; Q94-T98 WeakPolarHBondContact O-CB 3.25Å; Q94-T98 PolarHBondContact O-N 3.4Å; Q94-T98 PolarHBondContact O-OG1 3.38Å; Q94-L132 HydrophobicContact CB-CD1 4.4Å; Q94-L132 HydrophobicContact CG-CB 4.3Å; Q94-T133 PolarHBondContact NE2-OG1 2.78Å
95E94.6Very high93.6Very high124 Ų12468.8 Ų68.858%0.57939%0.389SS*.Hα-helixtrans-60.2-47.8176.9-70.5174.8174.200111.6T91 L93 T98 S99T91-E95 WeakPolarHBondContact O-CG 3.31Å; T91-E95 PolarHBondContact O-N 2.89Å; L93-E95 VanDerWaalsContact C-N 3.34Å; L93-E95 PolarHBondContact O-N 2.77Å; E95-T98 PolarHBondContact O-N 3.05Å; E95-S99 WeakPolarHBondContact O-CB 3.39Å; E95-S99 PolarHBondContact O-N 2.84Å; E95-S99 PolarHBondContact O-OG 3.19Å
96H96.5Very high93.5Very high14 Ų1467.8 Ų67.87%0.06539%0.392CS..Hα-helixtrans-60.6-47.8179.1167.658.5000113C80 C83 Y88 S92 L93 T98 S99 E100 H101C80-H96 VanDerWaalsContact SG-CD2 3.6Å; C80-H96 PolarHBondContact SG-NE2 2.81Å; C83-H96 PolarHBondContact SG-NE2 3Å; Y88-H96 HydrophobicContact CD1-CB 4.13Å; Y88-H96 HydrophobicContact CE1-CB 3.66Å; Y88-H96 AromaticContact CE1-CG 3.72Å; Y88-H96 AromaticContact CE2-CD2 3.8Å; Y88-H96 AromaticContact CZ-CD2 3.59Å; Y88-H96 AromaticContact CZ-CG 3.56Å; Y88-H96 AromaticContact CZ-ND1 3.97Å; Y88-H96 PolarHBondContact OH-CE1 3.29Å; Y88-H96 PolarHBondContact OH-ND1 3.14Å; S92-H96 WeakPolarHBondContact O-CB 3.2Å; S92-H96 PolarHBondContact O-N 3.07Å; L93-H96 PolarHBondContact O-N 3.08Å; H96-T98 VanDerWaalsContact C-N 3.31Å; H96-T98 PolarHBondContact O-N 2.74Å; H96-S99 PolarHBondContact O-N 3.25Å; H96-S99 PolarHBondContact O-OG 3.32Å; H96-E100 WeakPolarHBondContact ND1-CG 3.36Å; H96-E100 WeakPolarHBondContact O-CB 3.28Å; H96-E100 PolarHBondContact O-N 3.4Å; H96-H101 AromaticContact CE1-CD2 3.99Å; H96-H101 AromaticContact CE1-NE2 3.77Å; H96-H101 AromaticContact NE2-CD2 3.66Å; H96-H101 AromaticContact NE2-NE2 3.54Å
97V96.1Very high93.6Very high1 Ų168.3 Ų68.31%0.00639%0.393CS..Hα-helixtrans-64-41.8179.6172.40000110.1Y82 L93 S99 H101 F128 A129 L132Y82-V97 HydrophobicContact CD2-CG1 4.42Å; Y82-V97 HydrophobicContact CE2-CG1 4.05Å; L93-V97 HydrophobicContact CD1-CG2 4.01Å; L93-V97 HydrophobicContact CG-CG2 4.29Å; L93-V97 WeakPolarHBondContact O-CB 3.14Å; L93-V97 VanDerWaalsContact O-CG2 3.22Å; L93-V97 WeakPolarHBondContact O-CG2 3.3Å; L93-V97 PolarHBondContact O-N 3.37Å; V97-S99 VanDerWaalsContact C-N 3.34Å; V97-S99 PolarHBondContact O-N 3.28Å; V97-H101 HydrophobicContact CG1-CB 4.43Å; V97-H101 CarbonylContact O-C 3.49Å; V97-H101 VanDerWaalsContact O-C 3.24Å; V97-H101 VanDerWaalsContact O-CA 3.29Å; V97-H101 WeakPolarHBondContact O-CA 3.18Å; V97-H101 WeakPolarHBondContact O-CB 3.35Å; V97-H101 PolarHBondContact O-N 3.22Å; V97-F128 HydrophobicContact CB-CD1 4.48Å; V97-F128 HydrophobicContact CG1-CD1 3.88Å; V97-F128 HydrophobicContact CG1-CE1 4.49Å; V97-F128 HydrophobicContact CG2-CD1 3.8Å; V97-F128 HydrophobicContact CG2-CE1 3.6Å; V97-A129 HydrophobicContact CG1-CB 4.02Å; V97-L132 HydrophobicContact CB-CD1 4.29Å; V97-L132 HydrophobicContact CG2-CD1 4.14Å
98T93.7Very high93.8Very high76 Ų7665.9 Ų65.947%0.46637%0.368SS..Hα-helixtrans-68.1-32.8179.6-51.20000112.2Q94 E95 H96Q94-T98 WeakPolarHBondContact O-CB 3.25Å; Q94-T98 PolarHBondContact O-N 3.4Å; Q94-T98 PolarHBondContact O-OG1 3.38Å; E95-T98 PolarHBondContact O-N 3.05Å; H96-T98 VanDerWaalsContact C-N 3.31Å; H96-T98 PolarHBondContact O-N 2.74Å
99S95.3Very high93.9Very high81 Ų8164.1 Ų64.157%0.56636%0.361SS*.Hα-helixtrans-87.2-40.7-178.1700000114E95 H96 V97E95-S99 WeakPolarHBondContact O-CB 3.39Å; E95-S99 PolarHBondContact O-N 2.84Å; E95-S99 PolarHBondContact O-OG 3.19Å; H96-S99 PolarHBondContact O-N 3.25Å; H96-S99 PolarHBondContact O-OG 3.32Å; V97-S99 VanDerWaalsContact C-N 3.34Å; V97-S99 PolarHBondContact O-N 3.28Å
100E96.5Very high94.1Very high121 Ų12161.4 Ų61.457%0.56534%0.344SS*.Hα-helixtrans-98.5-19.5-172.8-58.9-67.5128.400113.2H96H96-E100 WeakPolarHBondContact ND1-CG 3.36Å; H96-E100 WeakPolarHBondContact O-CB 3.28Å; H96-E100 PolarHBondContact O-N 3.4Å
101H95.9Very high94.4Very high30 Ų3058.4 Ų58.414%0.13933%0.33CS..  trans-133.529.9-168.3-61.8-55.8000112.8Y82 H96 V97 E103 T104Y82-H101 HydrophobicContact CD2-CB 3.68Å; Y82-H101 AromaticContact CD2-CD2 3.96Å; Y82-H101 AromaticContact CD2-CG 3.76Å; Y82-H101 HydrophobicContact CE2-CB 4.2Å; Y82-H101 HydrophobicContact CG-CB 4.42Å; H96-H101 AromaticContact CE1-CD2 3.99Å; H96-H101 AromaticContact CE1-NE2 3.77Å; H96-H101 AromaticContact NE2-CD2 3.66Å; H96-H101 AromaticContact NE2-NE2 3.54Å; V97-H101 HydrophobicContact CG1-CB 4.43Å; V97-H101 CarbonylContact O-C 3.49Å; V97-H101 VanDerWaalsContact O-C 3.24Å; V97-H101 VanDerWaalsContact O-CA 3.29Å; V97-H101 WeakPolarHBondContact O-CA 3.18Å; V97-H101 WeakPolarHBondContact O-CB 3.35Å; V97-H101 PolarHBondContact O-N 3.22Å; H101-E103 PolarHBondContact O-N 2.97Å; H101-E103 VanDerWaalsContact O-N 3.13Å; H101-T104 HydrophobicContact CB-CG2 4.21Å; H101-T104 WeakPolarHBondContact CB-OG1 3.41Å; H101-T104 PolarHBondContact O-N 2.89Å; H101-T104 PolarHBondContact O-OG1 2.72Å
102A89Confident94.5Very high78 Ų7855.1 Ų55.165%0.64531%0.31SS*.THydrogen-bonded Turntrans-59.6-26.7-17600000114.7
103E88.6Confident94.6Very high188 Ų18854.2 Ų54.288%0.87930%0.303SS*.THydrogen-bonded Turntrans-111.95-174.7-61.4-179.4177.500113.2H101H101-E103 PolarHBondContact O-N 2.97Å; H101-E103 VanDerWaalsContact O-N 3.13Å
104T92.2Very high94.6Very high54 Ų5454.6 Ų54.633%0.33131%0.306SS..  trans-84.6125179.258.90000110.7Y82 H101Y82-T104 WeakPolarHBondContact CE2-OG1 3.4Å; H101-T104 HydrophobicContact CB-CG2 4.21Å; H101-T104 WeakPolarHBondContact CB-OG1 3.41Å; H101-T104 PolarHBondContact O-N 2.89Å; H101-T104 PolarHBondContact O-OG1 2.72Å
105S89.9Confident94.4Very high100 Ų10054 Ų5470%0.69931%0.306SS*.  trans-119.126.5-178.347.10000113
106T93.7Very high94.1Very high86 Ų8651.9 Ų51.953%0.52830%0.298SS..  trans-77.8136.1177.556.70000110.4Y82 V108Y82-T106 WeakPolarHBondContact CD1-OG1 3.45Å; Y82-T106 WeakPolarHBondContact CE1-OG1 3.25Å; T106-V108 PolarHBondContact O-N 2.9Å
107E96.5Very high93.3Very high144 Ų14457.5 Ų57.567%0.67334%0.335SS*.  trans-61.5126.8175-67.1179.5158.900110.7V124 T125 D126E107-V124 HydrophobicContact CB-CG1 4.04Å; E107-T125 WeakPolarHBondContact CA-O 3.46Å; E107-D126 HydrophobicContact CG-CB 4.26Å
108V97.4Very high92.7Very high2 Ų261.4 Ų61.41%0.01238%0.376CS..EExtended strand (participates in β ladder)trans-139.6156.1-179-67.40000110.7I26 P81 Y82 T106 V124 T125 F128I26-V108 HydrophobicContact CD1-CG1 4.01Å; P81-V108 HydrophobicContact CB-CB 3.72Å; P81-V108 HydrophobicContact CB-CG1 3.85Å; P81-V108 HydrophobicContact CB-CG2 4.13Å; P81-V108 HydrophobicContact CG-CB 4.02Å; P81-V108 HydrophobicContact CG-CG1 4.28Å; P81-V108 HydrophobicContact CG-CG2 3.84Å; Y82-V108 HydrophobicContact CD1-CG1 3.89Å; Y82-V108 HydrophobicContact CE1-CB 4.47Å; Y82-V108 HydrophobicContact CE1-CG1 3.58Å; Y82-V108 HydrophobicContact CE1-CG2 4.02Å; T106-V108 PolarHBondContact O-N 2.9Å; V108-V124 WeakPolarHBondContact O-CA 3.22Å; V108-T125 HydrophobicContact CG2-CG2 4.35Å; V108-T125 PolarHBondContact N-O 3.49Å; V108-T125 PolarHBondContact O-N 2.89Å; V108-F128 HydrophobicContact CG2-CB 3.85Å; V108-F128 HydrophobicContact CG2-CD2 4.33Å; V108-F128 HydrophobicContact CG2-CG 4Å
109I97.9Very high92.4Very high2 Ų259.1 Ų59.11%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-86.9134172.5-63.7162.6000108.9C24 L25 C27 P111 H123 V124C24-I109 WeakPolarHBondContact O-CD1 3.38Å; L25-I109 PolarHBondContact O-N 2.81Å; C27-I109 VanDerWaalsContact O-CD1 3.23Å; C27-I109 WeakPolarHBondContact O-CD1 3.43Å; I109-P111 WeakPolarHBondContact O-CD 3.36Å; I109-H123 WeakPolarHBondContact CA-O 3.4Å; I109-V124 HydrophobicContact CG1-CG2 4.02Å
110C96.8Very high92.3Very high0 Ų059.4 Ų59.40%036%0.363CS..  trans-70.4117.8177.9179.30000111.1I112 C113 A114 H123 F128 H131C110-I112 PolarHBondContact O-N 2.9Å; C110-I112 PolarHBondContact SG-N 2.89Å; C110-C113 HydrophobicContact CB-CB 3.92Å; C110-C113 PolarHBondContact O-N 3.04Å; C110-C113 PolarHBondContact SG-N 2.83Å; C110-A114 WeakPolarHBondContact O-CB 3.39Å; C110-A114 PolarHBondContact O-N 2.99Å; C110-H123 PolarHBondContact N-O 3.35Å; C110-F128 HydrophobicContact CB-CE2 4.09Å; C110-H131 WeakPolarHBondContact CB-NE2 3.46Å; C110-H131 PolarHBondContact SG-NE2 2.99Å
111P96.5Very high92.2Very high0 Ų056.1 Ų56.10%035%0.352CS..Hα-helixtrans-65.6-24.5178.627.5-35.7000113L25 Q53 F78 T79 L93 I109 A115 F128L25-P111 HydrophobicContact CD1-CB 4.07Å; L25-P111 HydrophobicContact CD2-CB 3.94Å; Q53-P111 HydrophobicContact CB-CB 4.34Å; Q53-P111 HydrophobicContact CG-CB 4.12Å; F78-P111 HydrophobicContact CB-CB 4.49Å; F78-P111 HydrophobicContact CB-CG 4.48Å; F78-P111 HydrophobicContact CD1-CB 4.23Å; T79-P111 WeakPolarHBondContact O-CG 3.37Å; L93-P111 HydrophobicContact CD2-CG 3.8Å; I109-P111 WeakPolarHBondContact O-CD 3.36Å; P111-A115 WeakPolarHBondContact O-CB 3.34Å; P111-A115 PolarHBondContact O-N 3.08Å; P111-F128 HydrophobicContact CG-CZ 4.07Å
112I94.5Very high92.1Very high1 Ų155.7 Ų55.71%0.00535%0.351CS..Hα-helixtrans-77.2-50.4179.3-49.5-176.7000110F78 E90 L93 C110 A114 A115 L116 L132 H136F78-I112 HydrophobicContact CD1-CG1 4.08Å; F78-I112 HydrophobicContact CD2-CG1 4.18Å; F78-I112 HydrophobicContact CE1-CB 4.26Å; F78-I112 HydrophobicContact CE1-CG1 4.04Å; F78-I112 HydrophobicContact CE1-CG2 4.38Å; F78-I112 HydrophobicContact CE2-CD1 4.48Å; F78-I112 HydrophobicContact CE2-CG1 4.12Å; F78-I112 HydrophobicContact CG-CG1 4.15Å; F78-I112 HydrophobicContact CZ-CB 4.32Å; F78-I112 HydrophobicContact CZ-CG1 4.05Å; F78-I112 HydrophobicContact CZ-CG2 4.03Å; E90-I112 HydrophobicContact CB-CD1 4.05Å; E90-I112 HydrophobicContact CG-CD1 3.74Å; L93-I112 HydrophobicContact CD2-CD1 4.25Å; L93-I112 HydrophobicContact CD2-CG1 4.25Å; C110-I112 PolarHBondContact O-N 2.9Å; C110-I112 PolarHBondContact SG-N 2.89Å; I112-A114 PolarHBondContact O-N 3.18Å; I112-A115 PolarHBondContact O-N 3.17Å; I112-A115 VanDerWaalsContact O-N 3.14Å; I112-L116 HydrophobicContact CG2-CD1 3.78Å; I112-L116 HydrophobicContact CG2-CG 4.15Å; I112-L116 WeakPolarHBondContact O-CG 3.1Å; I112-L116 PolarHBondContact O-N 3.39Å; I112-L116 VanDerWaalsContact O-N 3.08Å; I112-L132 HydrophobicContact CD1-CD2 3.56Å; I112-L132 HydrophobicContact CG1-CD2 4.4Å; I112-H136 HydrophobicContact CD1-CB 4.14Å; I112-H136 VanDerWaalsContact CG2-CE1 3.44Å; I112-H136 WeakPolarHBondContact CG2-CE1 3.35Å; I112-H136 WeakPolarHBondContact CG2-ND1 3.37Å
113C95.1Very high92.5Very high14 Ų1454.8 Ų54.810%0.09533%0.333CS..Hα-helixtrans-55.1-41172.3-62.10000111.7C110 A115 D120 H123 H131 H136C110-C113 HydrophobicContact CB-CB 3.92Å; C110-C113 PolarHBondContact O-N 3.04Å; C110-C113 PolarHBondContact SG-N 2.83Å; C113-A115 VanDerWaalsContact C-N 3.28Å; C113-A115 PolarHBondContact O-N 3.22Å; C113-D120 CarbonylContact C-O 3.24Å; C113-D120 WeakPolarHBondContact CB-O 3.44Å; C113-H123 HydrophobicContact CB-CB 3.83Å; C113-H131 PolarHBondContact SG-NE2 3.25Å; C113-H136 PolarHBondContact SG-NE2 3.39Å
114A94.8Very high92.9Very high8 Ų848.8 Ų48.87%0.06631%0.309CS..Hα-helixtrans-59.1-34.3178.800000114.6K23 I55 C110 I112K23-A114 HydrophobicContact CD-CB 3.85Å; I55-A114 HydrophobicContact CD1-CB 4.39Å; I55-A114 WeakPolarHBondContact CD1-O 3.26Å; C110-A114 WeakPolarHBondContact O-CB 3.39Å; C110-A114 PolarHBondContact O-N 2.99Å; I112-A114 PolarHBondContact O-N 3.18Å
115A92Very high93Very high11 Ų1147 Ų479%0.09130%0.298CS..Hα-helixtrans-106.8-12.7-169.500000114.1I55 F78 P111 I112 C113I55-A115 HydrophobicContact CG1-CB 4.17Å; F78-A115 HydrophobicContact CE1-CB 4.18Å; P111-A115 WeakPolarHBondContact O-CB 3.34Å; P111-A115 PolarHBondContact O-N 3.08Å; I112-A115 PolarHBondContact O-N 3.17Å; I112-A115 VanDerWaalsContact O-N 3.14Å; C113-A115 VanDerWaalsContact C-N 3.28Å; C113-A115 PolarHBondContact O-N 3.22Å
116L87.3Confident93.3Very high79 Ų7947.1 Ų47.141%0.41429%0.291SS..SBendtrans-75.5133.7177.7-77.6173.9000112.6I112 G118 G119I112-L116 HydrophobicContact CG2-CD1 3.78Å; I112-L116 HydrophobicContact CG2-CG 4.15Å; I112-L116 WeakPolarHBondContact O-CG 3.1Å; I112-L116 PolarHBondContact O-N 3.39Å; I112-L116 VanDerWaalsContact O-N 3.08Å; L116-G118 PolarHBondContact O-N 2.83Å; L116-G119 PolarHBondContact O-N 2.79Å
117P80.9Confident93.3Very high131 Ų13146.9 Ų46.985%0.85129%0.287SS*.THydrogen-bonded Turntrans-64.695.8171.6-17.330.1000111
118G82.4Confident93.2Very high84 Ų8440 Ų4087%0.86625%0.254SS*.THydrogen-bonded Turntrans111.8-2.4-177.500000115.1L116L116-G118 PolarHBondContact O-N 2.83Å
119G87.7Confident93.1Very high28 Ų2841 Ų4129%0.28926%0.263SS..SBendtrans-71.7162.4165.800000111.7L116 P121L116-G119 PolarHBondContact O-N 2.79Å; G119-P121 VanDerWaalsContact O-CD 3.27Å; G119-P121 WeakPolarHBondContact O-CD 3.4Å
120D93.9Very high92.8Very high87 Ų8742.5 Ų42.547%0.46528%0.275SS..  trans-76.5115169.5177.31.3000109.4C113 N122 H123C113-D120 CarbonylContact C-O 3.24Å; C113-D120 WeakPolarHBondContact CB-O 3.44Å; D120-N122 PolarHBondContact O-N 3.28Å; D120-N122 VanDerWaalsContact O-N 3.12Å; D120-N122 PolarHBondContact OD1-N 3.32Å; D120-H123 HydrophobicContact CB-CB 4.12Å; D120-H123 PolarHBondContact O-N 3.41Å
121P93Very high92.7Very high52 Ų5243.2 Ų43.234%0.33828%0.278SS..THydrogen-bonded Turntrans-61.1-21.9-177.9-24.136.1000114.7K23 G119K23-P121 WeakPolarHBondContact CD-O 3.29Å; K23-P121 VanDerWaalsContact CE-O 3.3Å; K23-P121 WeakPolarHBondContact CE-O 3.4Å; G119-P121 VanDerWaalsContact O-CD 3.27Å; G119-P121 WeakPolarHBondContact O-CD 3.4Å
122N94.6Very high92.6Very high20 Ų2043.2 Ų43.211%0.10728%0.279CS..THydrogen-bonded Turntrans-12128.6-173.9-64.6-42.2000111.6K23 Y28 D29 D120 V124K23-N122 PolarHBondContact NZ-OD1 3.08Å; Y28-N122 HydrophobicContact CD2-CB 4.25Å; Y28-N122 HydrophobicContact CE2-CB 3.71Å; D29-N122 WeakPolarHBondContact CA-OD1 3.32Å; D29-N122 PolarHBondContact N-OD1 3.22Å; D29-N122 PolarHBondContact OD1-ND2 3.4Å; D120-N122 PolarHBondContact O-N 3.28Å; D120-N122 VanDerWaalsContact O-N 3.12Å; D120-N122 PolarHBondContact OD1-N 3.32Å; N122-V124 WeakPolarHBondContact O-CG2 3.42Å; N122-V124 PolarHBondContact O-N 3.02Å
123H96.4Very high92.5Very high59 Ų5946 Ų4627%0.27330%0.296SS..  trans-63.8104.8177-17376.2000111.4I109 C110 C113 D120 H131I109-H123 WeakPolarHBondContact CA-O 3.4Å; C110-H123 PolarHBondContact N-O 3.35Å; C113-H123 HydrophobicContact CB-CB 3.83Å; D120-H123 HydrophobicContact CB-CB 4.12Å; D120-H123 PolarHBondContact O-N 3.41Å; H123-H131 AromaticContact CD2-CE1 3.41Å; H123-H131 PolarHBondContact CD2-CE1 3.18Å; H123-H131 VanDerWaalsContact CD2-CE1 3.41Å; H123-H131 AromaticContact CD2-ND1 3.97Å; H123-H131 AromaticContact CD2-NE2 3.58Å; H123-H131 AromaticContact NE2-CE1 3.22Å; H123-H131 PolarHBondContact NE2-CE1 3.1Å; H123-H131 AromaticContact NE2-ND1 3.4Å; H123-H131 PolarHBondContact NE2-ND1 2.9Å; H123-H131 AromaticContact NE2-NE2 3.82Å
124V97Very high92.4Very high62 Ų6252 Ų5238%0.37633%0.326SS..EExtended strand (participates in β ladder)trans-92.1135.3177.2-176.20000109.9Y28 E107 V108 I109 N122Y28-V124 HydrophobicContact CD2-CG2 3.84Å; Y28-V124 HydrophobicContact CE2-CG2 4.22Å; E107-V124 HydrophobicContact CB-CG1 4.04Å; V108-V124 WeakPolarHBondContact O-CA 3.22Å; I109-V124 HydrophobicContact CG1-CG2 4.02Å; N122-V124 WeakPolarHBondContact O-CG2 3.42Å; N122-V124 PolarHBondContact O-N 3.02Å
125T95.8Very high92.2Very high16 Ų1658 Ų5810%0.09835%0.353CS..EExtended strand (participates in β ladder)trans-136.9140.8176.5-174.10000110.6E107 V108 D127 F128 H131E107-T125 WeakPolarHBondContact CA-O 3.46Å; V108-T125 HydrophobicContact CG2-CG2 4.35Å; V108-T125 PolarHBondContact N-O 3.49Å; V108-T125 PolarHBondContact O-N 2.89Å; T125-D127 PolarHBondContact OG1-O 3.05Å; T125-F128 HydrophobicContact CG2-CB 4.05Å; T125-F128 HydrophobicContact CG2-CD2 3.81Å; T125-F128 HydrophobicContact CG2-CG 4.4Å; T125-H131 HydrophobicContact CG2-CB 4.17Å
126D94.6Very high92.1Very high103 Ų10358.3 Ų58.355%0.55135%0.352SS*.SBendtrans-87.2-33.2174.258.7-16.5000112E107E107-D126 HydrophobicContact CG-CB 4.26Å
127D93.9Very high91.8Very high82 Ų8260 Ų6044%0.43935%0.353SS..  trans-110.281172.6-170.2-14.2000111.3T125 A129 A130 H131T125-D127 PolarHBondContact OG1-O 3.05Å; D127-A129 VanDerWaalsContact C-N 3.29Å; D127-A129 PolarHBondContact O-N 3.4Å; D127-A129 PolarHBondContact OD1-N 2.79Å; D127-A130 HydrophobicContact CB-CB 4.11Å; D127-A130 PolarHBondContact O-N 3.36Å; D127-A130 WeakPolarHBondContact OD1-CB 3.46Å; D127-A130 PolarHBondContact OD1-N 2.73Å; D127-A130 WeakPolarHBondContact OD2-CB 3.49Å; D127-H131 WeakPolarHBondContact O-CB 3.33Å; D127-H131 PolarHBondContact O-N 2.76Å
128F95.3Very high90.9Very high0 Ų056 Ų560%033%0.331CS..Hα-helixtrans-62.5-35.3-177.9-174.2-132.5000112.6P81 Y82 L93 V97 V108 C110 P111 T125 H131 L132P81-F128 VanDerWaalsContact CD-CE1 3.46Å; P81-F128 HydrophobicContact CG-CD1 3.7Å; P81-F128 HydrophobicContact CG-CE1 3.48Å; P81-F128 VanDerWaalsContact CG-CE1 3.48Å; P81-F128 HydrophobicContact CG-CG 4.36Å; P81-F128 HydrophobicContact CG-CZ 4Å; Y82-F128 HydrophobicContact CD2-CD1 4.38Å; Y82-F128 HydrophobicContact CE2-CB 3.91Å; Y82-F128 AromaticContact CE2-CD1 3.8Å; Y82-F128 HydrophobicContact CE2-CD1 3.8Å; Y82-F128 HydrophobicContact CE2-CG 4.33Å; Y82-F128 WeakPolarHBondContact OH-CB 3.5Å; L93-F128 HydrophobicContact CD2-CE1 4.41Å; L93-F128 HydrophobicContact CD2-CZ 4Å; V97-F128 HydrophobicContact CB-CD1 4.48Å; V97-F128 HydrophobicContact CG1-CD1 3.88Å; V97-F128 HydrophobicContact CG1-CE1 4.49Å; V97-F128 HydrophobicContact CG2-CD1 3.8Å; V97-F128 HydrophobicContact CG2-CE1 3.6Å; V108-F128 HydrophobicContact CG2-CB 3.85Å; V108-F128 HydrophobicContact CG2-CD2 4.33Å; V108-F128 HydrophobicContact CG2-CG 4Å; C110-F128 HydrophobicContact CB-CE2 4.09Å; P111-F128 HydrophobicContact CG-CZ 4.07Å; T125-F128 HydrophobicContact CG2-CB 4.05Å; T125-F128 HydrophobicContact CG2-CD2 3.81Å; T125-F128 HydrophobicContact CG2-CG 4.4Å; F128-H131 PolarHBondContact O-N 3.08Å; F128-L132 HydrophobicContact CD1-CD1 4.12Å; F128-L132 HydrophobicContact CD2-CD1 4.49Å; F128-L132 HydrophobicContact CD2-CG 4.16Å; F128-L132 HydrophobicContact CE1-CD1 3.71Å; F128-L132 HydrophobicContact CE1-CG 4.32Å; F128-L132 HydrophobicContact CE2-CD1 4.1Å; F128-L132 HydrophobicContact CE2-CD2 3.81Å; F128-L132 HydrophobicContact CE2-CG 3.79Å; F128-L132 HydrophobicContact CG-CD1 4.49Å; F128-L132 HydrophobicContact CZ-CD1 3.69Å; F128-L132 HydrophobicContact CZ-CD2 3.86Å; F128-L132 HydrophobicContact CZ-CG 3.88Å; F128-L132 VanDerWaalsContact O-CG 3.32Å; F128-L132 WeakPolarHBondContact O-CG 3.48Å; F128-L132 PolarHBondContact O-N 3.08Å
129A93.9Very high89.8Confident22 Ų2257.9 Ų57.918%0.18233%0.328CS..Hα-helixtrans-67-44179.700000112V97 D127 T133V97-A129 HydrophobicContact CG1-CB 4.02Å; D127-A129 VanDerWaalsContact C-N 3.29Å; D127-A129 PolarHBondContact O-N 3.4Å; D127-A129 PolarHBondContact OD1-N 2.79Å; A129-T133 PolarHBondContact O-N 3.02Å; A129-T133 PolarHBondContact O-OG1 2.98Å
130A93.2Very high87.9Confident33 Ų3365.6 Ų65.627%0.27335%0.349SS..Hα-helixtrans-65.5-43.2174.200000111.4D127 L132 T133 L134D127-A130 HydrophobicContact CB-CB 4.11Å; D127-A130 PolarHBondContact O-N 3.36Å; D127-A130 WeakPolarHBondContact OD1-CB 3.46Å; D127-A130 PolarHBondContact OD1-N 2.73Å; D127-A130 WeakPolarHBondContact OD2-CB 3.49Å; A130-L132 PolarHBondContact O-N 3.47Å; A130-T133 WeakPolarHBondContact O-CB 3.28Å; A130-T133 PolarHBondContact O-N 3.43Å; A130-L134 WeakPolarHBondContact O-CG 3.43Å; A130-L134 PolarHBondContact O-N 2.82Å
131H94.8Very high85.6Confident15 Ų1568.7 Ų68.77%0.06937%0.365CS..Hα-helixtrans-57.4-48.6176.8170.364.6000112.1C110 C113 H123 T125 D127 F128 T133 L134 E135 H136C110-H131 WeakPolarHBondContact CB-NE2 3.46Å; C110-H131 PolarHBondContact SG-NE2 2.99Å; C113-H131 PolarHBondContact SG-NE2 3.25Å; H123-H131 AromaticContact CD2-CE1 3.41Å; H123-H131 PolarHBondContact CD2-CE1 3.18Å; H123-H131 VanDerWaalsContact CD2-CE1 3.41Å; H123-H131 AromaticContact CD2-ND1 3.97Å; H123-H131 AromaticContact CD2-NE2 3.58Å; H123-H131 AromaticContact NE2-CE1 3.22Å; H123-H131 PolarHBondContact NE2-CE1 3.1Å; H123-H131 AromaticContact NE2-ND1 3.4Å; H123-H131 PolarHBondContact NE2-ND1 2.9Å; H123-H131 AromaticContact NE2-NE2 3.82Å; T125-H131 HydrophobicContact CG2-CB 4.17Å; D127-H131 WeakPolarHBondContact O-CB 3.33Å; D127-H131 PolarHBondContact O-N 2.76Å; F128-H131 PolarHBondContact O-N 3.08Å; H131-T133 PolarHBondContact O-N 3.32Å; H131-L134 PolarHBondContact O-N 3.22Å; H131-E135 WeakPolarHBondContact O-CB 3.49Å; H131-E135 PolarHBondContact O-N 3.21Å; H131-H136 AromaticContact CE1-NE2 3.82Å; H131-H136 AromaticContact NE2-CD2 3.51Å; H131-H136 AromaticContact NE2-NE2 3.37Å; H131-H136 PolarHBondContact NE2-NE2 3.1Å
132L93.8Very high83.4Confident1 Ų174.4 Ų74.41%0.00539%0.392CS..Hα-helixtrans-58.2-36.2175.2-72.6176.8000112.1L93 Q94 V97 I112 F128 A130 H136 R137L93-L132 HydrophobicContact CG-CD1 4.29Å; Q94-L132 HydrophobicContact CB-CD1 4.4Å; Q94-L132 HydrophobicContact CG-CB 4.3Å; V97-L132 HydrophobicContact CB-CD1 4.29Å; V97-L132 HydrophobicContact CG2-CD1 4.14Å; I112-L132 HydrophobicContact CD1-CD2 3.56Å; I112-L132 HydrophobicContact CG1-CD2 4.4Å; F128-L132 HydrophobicContact CD1-CD1 4.12Å; F128-L132 HydrophobicContact CD2-CD1 4.49Å; F128-L132 HydrophobicContact CD2-CG 4.16Å; F128-L132 HydrophobicContact CE1-CD1 3.71Å; F128-L132 HydrophobicContact CE1-CG 4.32Å; F128-L132 HydrophobicContact CE2-CD1 4.1Å; F128-L132 HydrophobicContact CE2-CD2 3.81Å; F128-L132 HydrophobicContact CE2-CG 3.79Å; F128-L132 HydrophobicContact CG-CD1 4.49Å; F128-L132 HydrophobicContact CZ-CD1 3.69Å; F128-L132 HydrophobicContact CZ-CD2 3.86Å; F128-L132 HydrophobicContact CZ-CG 3.88Å; F128-L132 VanDerWaalsContact O-CG 3.32Å; F128-L132 WeakPolarHBondContact O-CG 3.48Å; F128-L132 PolarHBondContact O-N 3.08Å; A130-L132 PolarHBondContact O-N 3.47Å; L132-H136 HydrophobicContact CD2-CB 4.15Å; L132-H136 CarbonylContact O-C 3.53Å; L132-H136 WeakPolarHBondContact O-CA 3.47Å; L132-H136 WeakPolarHBondContact O-CB 3.47Å; L132-H136 PolarHBondContact O-N 3.1Å; L132-R137 PolarHBondContact O-N 3.28Å
133T92.3Very high81Confident60 Ų6079.8 Ų79.837%0.36842%0.421SS..Hα-helixtrans-74.3-32.8-178.7-57.20000113.2Q94 A129 A130 H131 R137Q94-T133 PolarHBondContact NE2-OG1 2.78Å; A129-T133 PolarHBondContact O-N 3.02Å; A129-T133 PolarHBondContact O-OG1 2.98Å; A130-T133 WeakPolarHBondContact O-CB 3.28Å; A130-T133 PolarHBondContact O-N 3.43Å; H131-T133 PolarHBondContact O-N 3.32Å; T133-R137 VanDerWaalsContact O-CB 3.26Å; T133-R137 WeakPolarHBondContact O-CB 3.2Å
134L92.1Very high78.3Confident138 Ų13886 Ų8672%0.72345%0.45SS*.Hα-helixtrans-88.1-41.5-176.9-67174.1000112.5A130 H131A130-L134 WeakPolarHBondContact O-CG 3.43Å; A130-L134 PolarHBondContact O-N 2.82Å; H131-L134 PolarHBondContact O-N 3.22Å
135E91.4Very high76.1Confident136 Ų13688 Ų8864%0.63647%0.466SS*.Hα-helixtrans-102.8-27.7-170.1-59-59.8139.800113.5H131H131-E135 WeakPolarHBondContact O-CB 3.49Å; H131-E135 PolarHBondContact O-N 3.21Å
136H89Confident73.7Confident16 Ų1693 Ų937%0.07450%0.502CS..SBendtrans-118.38.2-169.4-69.5-57.2000113.8E90 I112 C113 H131 L132 A138E90-H136 VanDerWaalsContact CD-O 3.27Å; E90-H136 HydrophobicContact CG-CB 4.22Å; E90-H136 WeakPolarHBondContact CG-O 3.49Å; E90-H136 VanDerWaalsContact OE1-CA 3.28Å; E90-H136 WeakPolarHBondContact OE1-CA 3.24Å; E90-H136 WeakPolarHBondContact OE1-CB 3.38Å; E90-H136 IonicContact OE1-CG 3.5Å; E90-H136 IonicContact OE1-ND1 3.2Å; E90-H136 PolarHBondContact OE1-ND1 2.95Å; I112-H136 HydrophobicContact CD1-CB 4.14Å; I112-H136 VanDerWaalsContact CG2-CE1 3.44Å; I112-H136 WeakPolarHBondContact CG2-CE1 3.35Å; I112-H136 WeakPolarHBondContact CG2-ND1 3.37Å; C113-H136 PolarHBondContact SG-NE2 3.39Å; H131-H136 AromaticContact CE1-NE2 3.82Å; H131-H136 AromaticContact NE2-CD2 3.51Å; H131-H136 AromaticContact NE2-NE2 3.37Å; H131-H136 PolarHBondContact NE2-NE2 3.1Å; L132-H136 HydrophobicContact CD2-CB 4.15Å; L132-H136 CarbonylContact O-C 3.53Å; L132-H136 WeakPolarHBondContact O-CA 3.47Å; L132-H136 WeakPolarHBondContact O-CB 3.47Å; L132-H136 PolarHBondContact O-N 3.1Å; H136-A138 PolarHBondContact O-N 2.67Å
137R81Confident71.4Confident115 Ų11591 Ų9143%0.43451%0.505SS..  trans-72.2109.1178.3-174.3162.8-175.281.2-7.5109.1L132 T133L132-R137 PolarHBondContact O-N 3.28Å; T133-R137 VanDerWaalsContact O-CB 3.26Å; T133-R137 WeakPolarHBondContact O-CB 3.2Å
138A63.4Low69Low48 Ų4893.9 Ų93.940%0.39753%0.526SS..  trans-45.2129.3168.700000109H136 R140H136-A138 PolarHBondContact O-N 2.67Å; A138-R140 VanDerWaalsContact C-N 3.32Å; A138-R140 PolarHBondContact O-N 3.24Å
139P57.9Low66.7Low123 Ų123104.8 Ų104.880%0.79957%0.567SS**  trans-58.5102.4174.1-16.227.7000106.5D141P139-D141 PolarHBondContact O-N 3.47Å; P139-D141 VanDerWaalsContact O-N 3.08Å
140R49.5Very low64.3Low190 Ų190112.6 Ų112.672%0.71760%0.599SS**  trans-56.4122.8164.4-71.5-171.8169.6-153.5-4.3104.5A138 L142A138-R140 VanDerWaalsContact C-N 3.32Å; A138-R140 PolarHBondContact O-N 3.24Å; R140-L142 PolarHBondContact O-N 3.44Å
141D44Very low62.1Low152 Ų152116.9 Ų116.981%0.81362%0.622SS**  trans-29.5114.9171.5-76.9-74.8000108.6P139 D143P139-D141 PolarHBondContact O-N 3.47Å; P139-D141 VanDerWaalsContact O-N 3.08Å; D141-D143 PolarHBondContact O-N 3.24Å
142L47.2Very low60Low171 Ų171125.1 Ų125.190%0.89565%0.652SS**  trans-63.393.1172.6-132.2101.8000104.1R140 E144R140-L142 PolarHBondContact O-N 3.44Å; L142-E144 VanDerWaalsContact C-N 3.26Å; L142-E144 PolarHBondContact O-N 3.49Å
143D44.2Very low57.8Low133 Ų133135.7 Ų135.771%0.71169%0.692SS**  trans-57.499.5171.9-135-62.8000105.7D141 S145D141-D143 PolarHBondContact O-N 3.24Å; D143-S145 PolarHBondContact O-N 3.14Å
144E40.9Very low55.5Low191 Ų191139.4 Ų139.489%0.89371%0.707SS**THydrogen-bonded Turntrans-66.464.2171.6-173.1158.786.800107.5L142L142-E144 VanDerWaalsContact C-N 3.26Å; L142-E144 PolarHBondContact O-N 3.49Å
145S49.4Very low53.1Low103 Ų103142 Ų14272%0.7271%0.713SS**THydrogen-bonded Turntrans-165.39.4178.2-87.30000115.3D143 G147D143-S145 PolarHBondContact O-N 3.14Å; S145-G147 PolarHBondContact O-N 2.77Å
146S46.9Very low51Low121 Ų121143.9 Ų143.985%0.84672%0.721SS**  trans-9582.2161-870000111.3V148S146-V148 PolarHBondContact O-N 2.99Å
147G44.6Very low48.8Very low60 Ų60149.5 Ų149.562%0.61976%0.759SS**  trans-50.4131.416400000111.7S145 R149S145-G147 PolarHBondContact O-N 2.77Å; G147-R149 PolarHBondContact O-N 3.12Å
148V45.1Very low47.1Very low143 Ų143147.2 Ų147.287%0.86777%0.772SS**  trans46.875.3140-165.30000114.9S146S146-V148 PolarHBondContact O-N 2.99Å
149R46.3Very low46.4Very low229 Ų229157.3 Ų157.386%0.86480%0.799SS**  trans-140.691.7141-65.7-166.7-168.3-148.82.3109.9G147 V151G147-R149 PolarHBondContact O-N 3.12Å; R149-V151 HydrophobicContact CB-CG2 4.35Å; R149-V151 PolarHBondContact O-N 2.66Å
150H44Very low45.7Very low187 Ų187154.9 Ų154.987%0.86680%0.797SS**  trans-51.892.2146.6-85.77.4000108.4R152H150-R152 PolarHBondContact O-N 3.22Å
151V46.5Very low46.1Very low123 Ų123154.6 Ų154.675%0.74581%0.809SS**  trans-79.570.3156.3-170.50000106.3R149 R153R149-V151 HydrophobicContact CB-CG2 4.35Å; R149-V151 PolarHBondContact O-N 2.66Å; V151-R153 PolarHBondContact O-N 3.13Å
152R50Low46Very low188 Ų188151.3 Ų151.371%0.70981%0.81SS**  trans-54.6118.6148.7-164.6169-170.11611.3103.7H150 M154H150-R152 PolarHBondContact O-N 3.22Å; R152-M154 HydrophobicContact CB-CE 4.27Å; R152-M154 HydrophobicContact CB-SD 4.44Å; R152-M154 HydrophobicContact CG-CE 4.44Å; R152-M154 HydrophobicContact CG-SD 4.27Å; R152-M154 PolarHBondContact O-N 2.8Å
153R48.1Very low46Very low223 Ų223146.9 Ų146.984%0.84281%0.806SS**  trans-5792.6162.6-83.5-177.2177.4-179.6-0.2105.9V151 F155V151-R153 PolarHBondContact O-N 3.13Å; R153-F155 VanDerWaalsContact C-N 3.33Å; R153-F155 PolarHBondContact O-N 3.39Å
154M44.6Very low46Very low137 Ų137146.7 Ų146.768%0.67581%0.812SS**  trans-70.499.7170.4-69.3-63.6-170.500104.7R152 H156R152-M154 HydrophobicContact CB-CE 4.27Å; R152-M154 HydrophobicContact CB-SD 4.44Å; R152-M154 HydrophobicContact CG-CE 4.44Å; R152-M154 HydrophobicContact CG-SD 4.27Å; R152-M154 PolarHBondContact O-N 2.8Å; M154-H156 PolarHBondContact O-N 3.11Å; M154-H156 VanDerWaalsContact O-N 3.11Å
155F41.8Very low46.4Very low192 Ų192149.8 Ų149.884%0.84282%0.816SS**  trans-55.2115.8159.2-78.9-90.6000106.8R153 P157R153-F155 VanDerWaalsContact C-N 3.33Å; R153-F155 PolarHBondContact O-N 3.39Å; F155-P157 WeakPolarHBondContact O-CD 3.23Å
156H46.9Very low46.1Very low177 Ų177149.5 Ų149.582%0.81982%0.819SS**  trans-55.5125169.5-62.1-75.1000108.4M154 G158M154-H156 PolarHBondContact O-N 3.11Å; M154-H156 VanDerWaalsContact O-N 3.11Å; H156-G158 PolarHBondContact O-N 3.49Å
157P43.1Very low46.2Very low133 Ų133155.9 Ų155.986%0.86483%0.825SS**  trans-76.483.5171.429.5-28.5000108.1F155F155-P157 WeakPolarHBondContact O-CD 3.23Å
158G44.1Very low46.2Very low68 Ų68164.1 Ų164.170%0.70184%0.837SS**  trans-80111.7166.200000109.5H156 G160H156-G158 PolarHBondContact O-N 3.49Å; G158-G160 PolarHBondContact O-N 3.49Å
159R49.7Very low46.9Very low259 Ų259163.2 Ų163.298%0.97784%0.838SS**  trans-29.2123.2163.7-81.2171.5162.9-159.6-4.4112.5
160G43.6Very low46.9Very low73 Ų73157 Ų15775%0.75382%0.821SS**  trans-174.290.2174.700000112G158G158-G160 PolarHBondContact O-N 3.49Å
161L57.5Low47.8Very low184 Ų184155.9 Ų155.996%0.96382%0.819SS**  trans-40.5135.1173.1-61.2157.3000114.9
162G40.7Very low47.8Very low82 Ų82157 Ų15785%0.84582%0.815SS**  trans115.910413900000119
163G47.8Very low47.7Very low78 Ų78157 Ų15780%0.80482%0.821SS**  trans101.5119.413500000118.9
164P45.5Very low47.3Very low129 Ų129152.2 Ų152.284%0.83882%0.817SS**  trans-96.4147.9179.336.6-29.6000112.6
165R48.2Very low46.9Very low256 Ų256151 Ų15197%0.96682%0.822SS**  trans-149.5127.1157.5-105.5177.9173.6-174.6-2.8111.2
166A43.4Very low46.8Very low97 Ų97147.4 Ų147.480%0.80282%0.82SS**  trans-79.3151.8178.200000112.5
167R49.7Very low46.8Very low255 Ų255144 Ų14496%0.96282%0.816SS**  trans-164.3118.8141.2-109179.8-167.5-165.33.4111
168R44.2Very low46.8Very low234 Ų234144.6 Ų144.688%0.88382%0.817SS**  trans-84.6151.8160.3-85.2177.5159.9-133.7-1.7108.9
169S58.6Low46.6Very low124 Ų124145.5 Ų145.587%0.86783%0.827SS**  trans-136130.114757.20000109.2
170N46.3Very low46.1Very low97 Ų97136.3 Ų136.352%0.51981%0.813SS.*  trans-119.4125.4-175.3174.989000105.4H172N170-H172 PolarHBondContact ND2-CD2 2.85Å; N170-H172 PolarHBondContact ND2-CE1 2.79Å; N170-H172 PolarHBondContact ND2-ND1 2.9Å; N170-H172 VanDerWaalsContact ND2-ND1 3.16Å; N170-H172 PolarHBondContact ND2-NE2 3.34Å
171M64.5Low46Very low165 Ų165141 Ų14181%0.81382%0.82SS**  trans-126.1120174.2-81.5-79.3-9900108.5F173M171-F173 HydrophobicContact CE-CE2 4.14Å
172H46.4Very low45.1Very low146 Ų146137.5 Ų137.568%0.67681%0.811SS**  trans-122.7130.4174.219.5-149.9000106.1N170N170-H172 PolarHBondContact ND2-CD2 2.85Å; N170-H172 PolarHBondContact ND2-CE1 2.79Å; N170-H172 PolarHBondContact ND2-ND1 2.9Å; N170-H172 VanDerWaalsContact ND2-ND1 3.16Å; N170-H172 PolarHBondContact ND2-NE2 3.34Å
173F47.8Very low45.1Very low189 Ų189138.7 Ų138.783%0.82981%0.806SS**  trans-125.4126.7167.8-101.1-89.1000108.2M171M171-F173 HydrophobicContact CE-CE2 4.14Å
174T38Very low44.8Very low122 Ų122140.7 Ų140.775%0.74881%0.807SS**  trans-116.5168.1173.643.50000108.1
175S37.6Very low44.6Very low112 Ų112143.7 Ų143.778%0.78381%0.81SS**  trans94.9141.4167.8-32.20000115.3
176S39.5Very low44.2Very low115 Ų115136.2 Ų136.280%0.80480%0.797SS**  cis164.3124-22.6-92.80000104.8
177S46.5Very low44.1Very low106 Ų106136.5 Ų136.574%0.74179%0.793SS**  trans171.7101.7156.251.10000110.1
178T43.6Very low43.8Very low145 Ų145134.6 Ų134.689%0.8979%0.788SS**  94.212785.549.70000115.4
179G40Very low43.7Very low88 Ų88128.9 Ų128.991%0.90778%0.783SS**  trans112.6124.615800000114.2
180G38.9Very low43.1Very low65 Ų65128.6 Ų128.667%0.6778%0.779SS**  cis147.9116.40.400000110.9
181L41.4Very low43Very low172 Ų172129.3 Ų129.390%0.90179%0.791SS**  trans66.1142.3145.1-40.9169.5000117.4
182S39.1Very low42.2Very low111 Ų111128.9 Ų128.978%0.77679%0.792SS**  cis-162.5155.635.2-68.50000113.6
183S39.2Very low42.2Very low107 Ų107133.2 Ų133.275%0.74880%0.803SS**  trans-35.1155.8161.443.40000118.2
184S41.9Very low42.3Very low119 Ų119132.1 Ų132.183%0.83280%0.8SS**  -172.2150.894.5-60.10000113.7
185Q40.8Very low43Very low193 Ų193131.1 Ų131.190%0.90280%0.804SS**  trans-87.8153.9-175.3-60.4163.59.600113.9
186S41.1Very low44.1Very low98 Ų98134.2 Ų134.269%0.68581%0.808SS**  trans172112.3139.351.70000108.7
187S40.1Very low45.6Very low103 Ų103133.1 Ų133.172%0.7279%0.794SS**  64.990.761.5720000116.3
188Y44.7Very low47.3Very low215 Ų215132.2 Ų132.284%0.84379%0.785SS**  trans-154.1102.9150.1-68.4-72.4000107.1
189S41.8Very low48.9Very low114 Ų114130.2 Ų130.280%0.79777%0.768SS**  85.7122.996.6-68.60000114.4
190P46.6Very low50.7Low118 Ų118128.5 Ų128.577%0.76675%0.745SS**  trans-95151.7-173.737.8-32.4000112
191S44.4Very low52.7Low112 Ų112130.7 Ų130.778%0.78374%0.738SS**  trans163.8103.1147.5-75.70000110.8
192N47.8Very low54.6Low156 Ų156127.1 Ų127.183%0.83472%0.719SS**  -178.3134.7123.8-102.4-43.2000110.1
193R44.5Very low56.3Low238 Ų238126.9 Ų126.990%0.89871%0.709SS**  trans-95.198.2-174.7-74.5168.3131.3170.9-3.4107.9
194E51.5Low58.3Low166 Ų166125.7 Ų125.778%0.77670%0.701SS**  trans-143.1121.2171.7-121.191.6-171.300110.8
195A53.1Low59.7Low100 Ų100125.1 Ų125.183%0.82669%0.685SS**  trans54.883.2167.900000117.3D197A195-D197 PolarHBondContact O-N 3.16Å
196M60.5Low61Low177 Ų177121 Ų12187%0.87267%0.668SS**  trans-64.9114.5156.8-75.5-65.3168.500108.6P198M196-P198 WeakPolarHBondContact O-CD 3.34Å
197D70.5Confident62.2Low93 Ų93118.9 Ų118.950%0.49765%0.653SS.*  trans-68.9115.2173.9-166.9-13.1000108.4A195 I199 A200 E201A195-D197 PolarHBondContact O-N 3.16Å; D197-I199 PolarHBondContact O-N 2.97Å; D197-I199 PolarHBondContact OD1-N 2.82Å; D197-A200 HydrophobicContact CB-CB 4.03Å; D197-A200 WeakPolarHBondContact O-CB 3.49Å; D197-A200 PolarHBondContact O-N 3.07Å; D197-E201 PolarHBondContact O-N 3.5Å
198P81.1Confident63Low87 Ų87115.8 Ų115.857%0.56564%0.638SS**Hα-helixtrans-58.3-23.7-178.424.2-34.6000111.9M196 L202M196-P198 WeakPolarHBondContact O-CD 3.34Å; P198-L202 WeakPolarHBondContact O-CB 3.07Å; P198-L202 WeakPolarHBondContact O-CG 3.48Å; P198-L202 PolarHBondContact O-N 2.85Å
199I78.5Confident63.6Low103 Ų103110.7 Ų110.753%0.52863%0.629SS.*Hα-helixtrans-73.6-37.7175.7-55.8175.9000110.8D197 E201 L202 L203D197-I199 PolarHBondContact O-N 2.97Å; D197-I199 PolarHBondContact OD1-N 2.82Å; I199-E201 VanDerWaalsContact C-N 3.33Å; I199-L202 PolarHBondContact O-N 3.39Å; I199-L203 HydrophobicContact CG2-CD1 3.9Å; I199-L203 HydrophobicContact CG2-CG 4.24Å; I199-L203 WeakPolarHBondContact O-CB 3.21Å; I199-L203 WeakPolarHBondContact O-CG 3.23Å; I199-L203 PolarHBondContact O-N 3.4Å
200A77.6Confident64.3Low52 Ų52116.2 Ų116.243%0.4363%0.632SS.*Hα-helixtrans-68.6-33.8176.300000112.1D197 S204D197-A200 HydrophobicContact CB-CB 4.03Å; D197-A200 WeakPolarHBondContact O-CB 3.49Å; D197-A200 PolarHBondContact O-N 3.07Å; A200-S204 WeakPolarHBondContact O-CB 3.39Å; A200-S204 PolarHBondContact O-N 3.35Å; A200-S204 PolarHBondContact O-OG 2.84Å
201E81.6Confident64.5Low111 Ų111119.8 Ų119.852%0.51963%0.63SS.*Hα-helixtrans-67.5-45.7171.8-163.9-179.5160.100111.1D197 I199 L203 S204 Q205D197-E201 PolarHBondContact O-N 3.5Å; I199-E201 VanDerWaalsContact C-N 3.33Å; E201-L203 PolarHBondContact O-N 2.88Å; E201-S204 PolarHBondContact O-N 3.43Å; E201-Q205 WeakPolarHBondContact O-CB 3.46Å; E201-Q205 WeakPolarHBondContact O-CG 3.5Å; E201-Q205 PolarHBondContact O-N 3.48Å; E201-Q205 PolarHBondContact OE1-NE2 2.83Å
202L79.9Confident64.7Low96 Ų96119.5 Ų119.550%0.50363%0.629SS.*Hα-helixtrans-62.3-39.7174.4-84.6162.9000112.6P198 I199 Q205 L206P198-L202 WeakPolarHBondContact O-CB 3.07Å; P198-L202 WeakPolarHBondContact O-CG 3.48Å; P198-L202 PolarHBondContact O-N 2.85Å; I199-L202 PolarHBondContact O-N 3.39Å; L202-Q205 PolarHBondContact O-N 2.9Å; L202-L206 WeakPolarHBondContact O-CB 3.5Å; L202-L206 VanDerWaalsContact O-CG 3.23Å; L202-L206 WeakPolarHBondContact O-CG 3.33Å; L202-L206 PolarHBondContact O-N 3.46Å
203L75Confident64.8Low107 Ų107117 Ų11756%0.5663%0.63SS**Hα-helixtrans-71.8-34.5177.1-71.2173.1000112I199 E201 L206 S207I199-L203 HydrophobicContact CG2-CD1 3.9Å; I199-L203 HydrophobicContact CG2-CG 4.24Å; I199-L203 WeakPolarHBondContact O-CB 3.21Å; I199-L203 WeakPolarHBondContact O-CG 3.23Å; I199-L203 PolarHBondContact O-N 3.4Å; E201-L203 PolarHBondContact O-N 2.88Å; L203-L206 PolarHBondContact O-N 2.94Å; L203-S207 WeakPolarHBondContact O-CB 3.47Å; L203-S207 PolarHBondContact O-N 3.39Å; L203-S207 PolarHBondContact O-OG 3.45Å
204S80.9Confident64.7Low82 Ų82109.4 Ų109.457%0.57363%0.625SS**Hα-helixtrans-64.4-45.3169-83.30000111.5A200 E201 L206 S207 G208A200-S204 WeakPolarHBondContact O-CB 3.39Å; A200-S204 PolarHBondContact O-N 3.35Å; A200-S204 PolarHBondContact O-OG 2.84Å; E201-S204 PolarHBondContact O-N 3.43Å; S204-L206 VanDerWaalsContact C-N 3.33Å; S204-L206 PolarHBondContact O-N 3.29Å; S204-S207 PolarHBondContact O-N 3.44Å; S204-S207 PolarHBondContact O-OG 3.25Å; S204-G208 PolarHBondContact O-N 2.7Å; S204-G208 VanDerWaalsContact O-N 3.14Å
205Q72.1Confident64.2Low107 Ų107104.7 Ų104.750%0.562%0.621SS.*Hα-helixtrans-61.2-40.5176.3-71.9176.318.100111.4E201 L202 G208 V209E201-Q205 WeakPolarHBondContact O-CB 3.46Å; E201-Q205 WeakPolarHBondContact O-CG 3.5Å; E201-Q205 PolarHBondContact O-N 3.48Å; E201-Q205 PolarHBondContact OE1-NE2 2.83Å; L202-Q205 PolarHBondContact O-N 2.9Å; Q205-G208 PolarHBondContact O-N 3.04Å; Q205-V209 WeakPolarHBondContact O-CG2 3.39Å
206L68.1Low63.8Low107 Ų107108.8 Ų108.856%0.5662%0.623SS**Hα-helixtrans-75.8-30.2177.3-71168.2000113.3L202 L203 S204 G208 V209L202-L206 WeakPolarHBondContact O-CB 3.5Å; L202-L206 VanDerWaalsContact O-CG 3.23Å; L202-L206 WeakPolarHBondContact O-CG 3.33Å; L202-L206 PolarHBondContact O-N 3.46Å; L203-L206 PolarHBondContact O-N 2.94Å; S204-L206 VanDerWaalsContact C-N 3.33Å; S204-L206 PolarHBondContact O-N 3.29Å; L206-G208 VanDerWaalsContact C-N 3.27Å; L206-G208 PolarHBondContact O-N 3.34Å; L206-V209 PolarHBondContact O-N 2.9Å
207S65.6Low63.1Low52 Ų52107.5 Ų107.536%0.36462%0.619SS.*Hα-helixtrans-70.5-23.6174.780.70000113L203 S204 R211L203-S207 WeakPolarHBondContact O-CB 3.47Å; L203-S207 PolarHBondContact O-N 3.39Å; L203-S207 PolarHBondContact O-OG 3.45Å; S204-S207 PolarHBondContact O-N 3.44Å; S204-S207 PolarHBondContact O-OG 3.25Å; S207-R211 PolarHBondContact O-NH2 3.3Å
208G57.4Low61.7Low39 Ų39110.6 Ų110.640%0.40264%0.636SS.*Hα-helixtrans-74.8-28.3171.200000113.2S204 Q205 L206 R210S204-G208 PolarHBondContact O-N 2.7Å; S204-G208 VanDerWaalsContact O-N 3.14Å; Q205-G208 PolarHBondContact O-N 3.04Å; L206-G208 VanDerWaalsContact C-N 3.27Å; L206-G208 PolarHBondContact O-N 3.34Å; G208-R210 PolarHBondContact O-N 3.31Å
209V57.6Low60.2Low107 Ų107111.5 Ų111.565%0.64864%0.644SS**Hα-helixtrans-76.2-23-174.2173.70000112.8Q205 L206Q205-V209 WeakPolarHBondContact O-CG2 3.39Å; L206-V209 PolarHBondContact O-N 2.9Å
210R55.6Low59.1Low230 Ų230112.3 Ų112.387%0.86866%0.659SS**THydrogen-bonded Turntrans-90.3-5.7179.7-73.2-170.9173.8-129.10.7115.5G208G208-R210 PolarHBondContact O-N 3.31Å
211R51Low58.1Low193 Ų193112.8 Ų112.873%0.72867%0.669SS**SBendtrans-100.4-3.9-179.6-80.4-175.6-82.3-106.70.4115.3S207S207-R211 PolarHBondContact O-NH2 3.3Å
212S48.6Very low57.3Low107 Ų107111.8 Ų111.875%0.74867%0.672SS**THydrogen-bonded Turntrans-925.8-177.8-50.50000115
213A49.3Very low56.8Low104 Ų104110.6 Ų110.686%0.8667%0.671SS**THydrogen-bonded Turntrans-96.210.4-175.200000114.9
214G43Very low56.8Low77 Ų77109.3 Ų109.379%0.79468%0.677SS**SBendtrans-147.659-173.800000113.6
215G41Very low57.1Low68 Ų68109.5 Ų109.570%0.70168%0.678SS**SBendtrans169.994.5174.700000113.6
216Q45.2Very low57.6Low185 Ų185109.6 Ų109.686%0.86468%0.678SS**  trans34.5126.4148.5-70.3-171.4-59.100120.1
217L45.2Very low58.2Low150 Ų150109.5 Ų109.579%0.78568%0.678SS**  trans106.6102.9151-57153000116.7
218N40.9Very low59.3Low159 Ų159113.8 Ų113.885%0.8569%0.692SS**  trans33.794.2136.9-644.5000119
219S49.5Very low60.9Low106 Ų106117.8 Ų117.874%0.74170%0.7SS**  trans-174.9115.4137.848.90000110.9
220S55.1Low62.4Low119 Ų119117.7 Ų117.783%0.83270%0.695SS**  trans28.791.2155.148.90000117.5
221G58.5Low63.9Low62 Ų62113 Ų11364%0.63968%0.684SS**PPolyproline II helixtrans-61.4157.4161.300000111.5S223G221-S223 PolarHBondContact O-N 2.87Å
222P62.8Low65.9Low90 Ų90109 Ų10958%0.58468%0.675SS**PPolyproline II helixtrans-57.1130.6-178.224.3-31.9000109.4
223S70.3Confident68Low71 Ų71109.4 Ų109.450%0.49767%0.665SS.*PPolyproline II helixtrans-60.414718061.30000109.7G221 S225 Q226 L227G221-S223 PolarHBondContact O-N 2.87Å; S223-S225 PolarHBondContact O-N 3.35Å; S223-Q226 WeakPolarHBondContact O-CB 3.22Å; S223-Q226 PolarHBondContact O-N 3.01Å; S223-L227 PolarHBondContact O-N 3.2Å
224A75.5Confident70Confident81 Ų81109.5 Ų109.567%0.66965%0.65SS**Hα-helixtrans-51.4-29.6179.400000112.9L227 Q228A224-L227 PolarHBondContact O-N 2.68Å; A224-Q228 WeakPolarHBondContact O-CB 3.45Å; A224-Q228 PolarHBondContact O-N 3.21Å
225S86.2Confident72.2Confident85 Ų85112.7 Ų112.759%0.59464%0.644SS**Hα-helixtrans-62.7-38.9173.7-174.10000113.6S223 Q228 Q229S223-S225 PolarHBondContact O-N 3.35Å; S225-Q228 PolarHBondContact O-N 3.11Å; S225-Q229 PolarHBondContact O-N 3.46Å; S225-Q229 VanDerWaalsContact O-N 3.11Å
226Q82.4Confident74.7Confident109 Ų109114 Ų11451%0.50964%0.635SS.*Hα-helixtrans-72.9-36.6-178.5-161172.217.500111.2S223 Q229 L230S223-Q226 WeakPolarHBondContact O-CB 3.22Å; S223-Q226 PolarHBondContact O-N 3.01Å; Q226-Q229 PolarHBondContact O-N 3.44Å; Q226-L230 PolarHBondContact O-N 3.43Å; Q226-L230 VanDerWaalsContact O-N 3.15Å
227L82.5Confident76.9Confident106 Ų106111.8 Ų111.856%0.55562%0.624SS**Hα-helixtrans-64.5-41173.1-121.8161.1000111.5S223 A224 Q229 L230 Q231S223-L227 PolarHBondContact O-N 3.2Å; A224-L227 PolarHBondContact O-N 2.68Å; L227-Q229 PolarHBondContact O-N 3.33Å; L227-L230 PolarHBondContact O-N 3.09Å; L227-Q231 PolarHBondContact O-N 3Å
228Q88Confident79Confident141 Ų141113 Ų11366%0.65962%0.618SS**Hα-helixtrans-67.3-35.3177.9-167.5154.95.800112.9A224 S225 Q231 M232A224-Q228 WeakPolarHBondContact O-CB 3.45Å; A224-Q228 PolarHBondContact O-N 3.21Å; S225-Q228 PolarHBondContact O-N 3.11Å; Q228-Q231 PolarHBondContact O-N 3.27Å; Q228-M232 PolarHBondContact O-N 3Å; Q228-M232 VanDerWaalsContact O-N 3.09Å
229Q90.2Very high81.4Confident124 Ų124111.6 Ų111.658%0.57961%0.607SS**Hα-helixtrans-66.8-40.4174.3-168.7170.28.100112.1S225 Q226 L227 M232 Q233S225-Q229 PolarHBondContact O-N 3.46Å; S225-Q229 VanDerWaalsContact O-N 3.11Å; Q226-Q229 PolarHBondContact O-N 3.44Å; L227-Q229 PolarHBondContact O-N 3.33Å; Q229-M232 PolarHBondContact O-N 3.15Å; Q229-Q233 PolarHBondContact O-N 3.5Å
230L89.3Confident83.5Confident104 Ų104113.4 Ų113.455%0.54560%0.603SS.*Hα-helixtrans-63.9-40.8174.8-110146.9000112.2Q226 L227 M232 Q233 L234Q226-L230 PolarHBondContact O-N 3.43Å; Q226-L230 VanDerWaalsContact O-N 3.15Å; L227-L230 PolarHBondContact O-N 3.09Å; L230-M232 VanDerWaalsContact C-N 3.34Å; L230-M232 PolarHBondContact O-N 3.31Å; L230-Q233 WeakPolarHBondContact O-CB 3.39Å; L230-Q233 PolarHBondContact O-N 3.46Å; L230-L234 HydrophobicContact CD2-CD1 4.12Å; L230-L234 WeakPolarHBondContact O-CD1 3.48Å; L230-L234 PolarHBondContact O-N 3.25Å
231Q88.5Confident85.1Confident133 Ų133110.2 Ų110.262%0.62158%0.584SS**Hα-helixtrans-64.8-39.4177.9-149.1171.215.300111.7L227 Q228 Q235L227-Q231 PolarHBondContact O-N 3Å; Q228-Q231 PolarHBondContact O-N 3.27Å; Q231-Q235 PolarHBondContact O-N 2.91Å
232M91.4Very high86.6Confident109 Ų109112.2 Ų112.254%0.53758%0.577SS.*Hα-helixtrans-64.4-42.4173.1-171.4-166.477.600112.2Q228 Q229 L230 Q235 L236Q228-M232 PolarHBondContact O-N 3Å; Q228-M232 VanDerWaalsContact O-N 3.09Å; Q229-M232 PolarHBondContact O-N 3.15Å; L230-M232 VanDerWaalsContact C-N 3.34Å; L230-M232 PolarHBondContact O-N 3.31Å; M232-Q235 PolarHBondContact O-N 2.81Å; M232-L236 HydrophobicContact CE-CD1 4.42Å; M232-L236 PolarHBondContact O-N 3.3Å; M232-L236 VanDerWaalsContact O-N 3.1Å
233Q92.4Very high87.8Confident115 Ų115110 Ų11054%0.53757%0.566SS.*Hα-helixtrans-60.4-47.9177.2-171.195.538.400111.4Q229 L230 Q235 L236 E237Q229-Q233 PolarHBondContact O-N 3.5Å; L230-Q233 WeakPolarHBondContact O-CB 3.39Å; L230-Q233 PolarHBondContact O-N 3.46Å; Q233-Q235 VanDerWaalsContact C-N 3.25Å; Q233-Q235 PolarHBondContact O-N 3.48Å; Q233-L236 PolarHBondContact O-N 3.35Å; Q233-E237 PolarHBondContact O-N 3.03Å
234L91.2Very high88.7Confident106 Ų106108.7 Ų108.756%0.55556%0.56SS**Hα-helixtrans-61.2-34.6177.5-98.3111.1000112.6L230 E237 R238L230-L234 HydrophobicContact CD2-CD1 4.12Å; L230-L234 WeakPolarHBondContact O-CD1 3.48Å; L230-L234 PolarHBondContact O-N 3.25Å; L234-E237 PolarHBondContact O-N 3.19Å; L234-R238 PolarHBondContact O-N 3.46Å
235Q91Very high89.2Confident144 Ų144114 Ų11467%0.67356%0.562SS**Hα-helixtrans-71.4-39.3180-164.1161.8-9.300111.9Q231 M232 Q233 Q239Q231-Q235 PolarHBondContact O-N 2.91Å; M232-Q235 PolarHBondContact O-N 2.81Å; Q233-Q235 VanDerWaalsContact C-N 3.25Å; Q233-Q235 PolarHBondContact O-N 3.48Å; Q235-Q239 PolarHBondContact O-N 3.09Å
236L92.9Very high89.2Confident96 Ų96116 Ų11650%0.50356%0.562SS.*Hα-helixtrans-63.8-42.2171.8-78.6165.1000111.9M232 Q233 Q239 H240M232-L236 HydrophobicContact CE-CD1 4.42Å; M232-L236 PolarHBondContact O-N 3.3Å; M232-L236 VanDerWaalsContact O-N 3.1Å; Q233-L236 PolarHBondContact O-N 3.35Å; L236-Q239 WeakPolarHBondContact O-CB 3.37Å; L236-Q239 PolarHBondContact O-N 3.2Å; L236-H240 PolarHBondContact O-N 2.92Å
237E90.9Very high89.4Confident137 Ų137117.4 Ų117.464%0.6457%0.569SS**Hα-helixtrans-66.2-40.7-179.8-159.8177.6115.800112.1Q233 L234 Q239 H240 A241Q233-E237 PolarHBondContact O-N 3.03Å; L234-E237 PolarHBondContact O-N 3.19Å; E237-Q239 VanDerWaalsContact C-N 3.29Å; E237-Q239 PolarHBondContact O-N 2.96Å; E237-H240 PolarHBondContact O-N 3.14Å; E237-A241 PolarHBondContact O-N 3.26Å
238R90.4Very high89.4Confident176 Ų176117.9 Ų117.966%0.66457%0.572SS**Hα-helixtrans-58.5-40.6171-90.8-17668.5159.2-0112.2L234 A241 Q242L234-R238 PolarHBondContact O-N 3.46Å; R238-A241 PolarHBondContact O-N 2.97Å; R238-Q242 VanDerWaalsContact O-CG 3.32Å; R238-Q242 WeakPolarHBondContact O-CG 3.49Å; R238-Q242 PolarHBondContact O-N 3.01Å; R238-Q242 VanDerWaalsContact O-N 3.07Å
239Q91.2Very high88.9Confident129 Ų129117.2 Ų117.260%0.60357%0.568SS**Hα-helixtrans-66.5-42.1179.2-128.5-179.815.900111.5Q235 L236 E237 Q242 A243Q235-Q239 PolarHBondContact O-N 3.09Å; L236-Q239 WeakPolarHBondContact O-CB 3.37Å; L236-Q239 PolarHBondContact O-N 3.2Å; E237-Q239 VanDerWaalsContact C-N 3.29Å; E237-Q239 PolarHBondContact O-N 2.96Å; Q239-Q242 PolarHBondContact O-N 3.11Å; Q239-A243 PolarHBondContact O-N 3.45Å
240H92.7Very high88.4Confident144 Ų144115.9 Ų115.967%0.66757%0.569SS**Hα-helixtrans-64-42.8176.6-169.1-104.4000112L236 E237 Q242 A243 A244L236-H240 PolarHBondContact O-N 2.92Å; E237-H240 PolarHBondContact O-N 3.14Å; H240-Q242 VanDerWaalsContact C-N 3.33Å; H240-Q242 PolarHBondContact O-N 3.19Å; H240-A243 PolarHBondContact O-N 3.44Å; H240-A244 PolarHBondContact O-N 3.29Å
241A88.4Confident87.7Confident53 Ų53113.4 Ų113.444%0.43856%0.563SS.*Hα-helixtrans-63.9-35.8176.300000112.9E237 R238 R245E237-A241 PolarHBondContact O-N 3.26Å; R238-A241 PolarHBondContact O-N 2.97Å; A241-R245 PolarHBondContact O-N 3.36Å
242Q90.2Very high87Confident104 Ų104116.1 Ų116.149%0.48657%0.568SS.*Hα-helixtrans-68.3-42.7174.5-74.4176.5-27.800112R238 Q239 H240 R245 Q246R238-Q242 VanDerWaalsContact O-CG 3.32Å; R238-Q242 WeakPolarHBondContact O-CG 3.49Å; R238-Q242 PolarHBondContact O-N 3.01Å; R238-Q242 VanDerWaalsContact O-N 3.07Å; Q239-Q242 PolarHBondContact O-N 3.11Å; H240-Q242 VanDerWaalsContact C-N 3.33Å; H240-Q242 PolarHBondContact O-N 3.19Å; Q242-R245 PolarHBondContact O-N 2.74Å; Q242-Q246 PolarHBondContact O-N 3.13Å; Q242-Q246 VanDerWaalsContact O-N 3.16Å
243A88.3Confident85.7Confident44 Ų44116 Ų11636%0.36457%0.569SS.*Hα-helixtrans-63.4-41.2176.200000112.2Q239 H240 R245 Q246 Q247Q239-A243 PolarHBondContact O-N 3.45Å; H240-A243 PolarHBondContact O-N 3.44Å; A243-R245 VanDerWaalsContact C-N 3.34Å; A243-R245 PolarHBondContact O-N 3Å; A243-Q246 PolarHBondContact O-N 3.38Å; A243-Q247 PolarHBondContact O-N 3.02Å
244A88.8Confident84.2Confident43 Ų43113.4 Ų113.436%0.35557%0.568SS.*Hα-helixtrans-61.8-39.4175.900000112.5H240 Q247 L248H240-A244 PolarHBondContact O-N 3.29Å; A244-Q247 PolarHBondContact O-N 3.32Å; A244-L248 PolarHBondContact O-N 3.1Å; A244-L248 VanDerWaalsContact O-N 3.16Å
245R86.5Confident82.7Confident191 Ų191112.7 Ų112.772%0.72157%0.568SS**Hα-helixtrans-63.1-42.2174.2-84.8-173.7161.5136.4-2.9112.5A241 Q242 A243 Q247 L248 E249A241-R245 PolarHBondContact O-N 3.36Å; Q242-R245 PolarHBondContact O-N 2.74Å; A243-R245 VanDerWaalsContact C-N 3.34Å; A243-R245 PolarHBondContact O-N 3Å; R245-Q247 VanDerWaalsContact C-N 3.34Å; R245-Q247 PolarHBondContact O-N 3.32Å; R245-L248 PolarHBondContact O-N 3.27Å; R245-E249 PolarHBondContact O-N 3.17Å
246Q86.9Confident80.9Confident127 Ų127115.8 Ų115.859%0.59357%0.573SS**Hα-helixtrans-65-36.6177.4-69.2176.65.800112.4Q242 A243 E249 T250Q242-Q246 PolarHBondContact O-N 3.13Å; Q242-Q246 VanDerWaalsContact O-N 3.16Å; A243-Q246 PolarHBondContact O-N 3.38Å; Q246-E249 PolarHBondContact O-N 3.2Å; Q246-T250 WeakPolarHBondContact O-CG2 3.49Å; Q246-T250 PolarHBondContact O-N 3.04Å; Q246-T250 PolarHBondContact O-OG1 3.11Å
247Q85.1Confident79.1Confident139 Ų139121.6 Ų121.665%0.6559%0.588SS**Hα-helixtrans-64.4-39.1174-71.7-176.61.800112.3A243 A244 R245 T250 A251A243-Q247 PolarHBondContact O-N 3.02Å; A244-Q247 PolarHBondContact O-N 3.32Å; R245-Q247 VanDerWaalsContact C-N 3.34Å; R245-Q247 PolarHBondContact O-N 3.32Å; Q247-T250 WeakPolarHBondContact CA-OG1 3.43Å; Q247-T250 PolarHBondContact O-OG1 3.03Å; Q247-A251 WeakPolarHBondContact O-CB 3.23Å; Q247-A251 PolarHBondContact O-N 3.48Å
248L82.4Confident77.3Confident117 Ų117120 Ų12061%0.61359%0.588SS**Hα-helixtrans-67.4-38.6175.6-106.7147000112.8A244 R245 A251 R252A244-L248 PolarHBondContact O-N 3.1Å; A244-L248 VanDerWaalsContact O-N 3.16Å; R245-L248 PolarHBondContact O-N 3.27Å; L248-A251 PolarHBondContact O-N 3.19Å; L248-R252 PolarHBondContact O-N 3.13Å
249E78.8Confident75.2Confident127 Ų127118.2 Ų118.259%0.59359%0.592SS**Hα-helixtrans-67.2-42175.5-75.6179.2166.400112.3R245 Q246 R252 N253R245-E249 PolarHBondContact O-N 3.17Å; Q246-E249 PolarHBondContact O-N 3.2Å; E249-R252 PolarHBondContact O-N 3.35Å; E249-N253 WeakPolarHBondContact O-CB 3.48Å; E249-N253 PolarHBondContact O-N 3.27Å
250T79.2Confident72.7Confident95 Ų95117.7 Ų117.758%0.58360%0.597SS**Hα-helixtrans-66.1-37.8175.651.20000112Q246 Q247 N253 A254Q246-T250 WeakPolarHBondContact O-CG2 3.49Å; Q246-T250 PolarHBondContact O-N 3.04Å; Q246-T250 PolarHBondContact O-OG1 3.11Å; Q247-T250 WeakPolarHBondContact CA-OG1 3.43Å; Q247-T250 PolarHBondContact O-OG1 3.03Å; T250-N253 PolarHBondContact O-N 3.19Å; T250-A254 WeakPolarHBondContact O-CB 3.32Å; T250-A254 PolarHBondContact O-N 3.13Å
251A75.3Confident70.3Confident52 Ų52115.5 Ų115.543%0.4360%0.599SS.*Hα-helixtrans-63.3-46.3172.900000112.3Q247 L248 N253 A254 T255Q247-A251 WeakPolarHBondContact O-CB 3.23Å; Q247-A251 PolarHBondContact O-N 3.48Å; L248-A251 PolarHBondContact O-N 3.19Å; A251-N253 VanDerWaalsContact C-N 3.32Å; A251-N253 PolarHBondContact O-N 3.15Å; A251-A254 PolarHBondContact O-N 3.4Å; A251-T255 PolarHBondContact O-N 2.97Å; A251-T255 VanDerWaalsContact O-N 3.08Å; A251-T255 PolarHBondContact O-OG1 2.85Å
252R72.7Confident67.9Low191 Ų191118.1 Ų118.172%0.72161%0.613SS**Hα-helixtrans-60.5-39.8175.7-81.7-177.199.9127-1.1112.3L248 E249 T255 R256L248-R252 PolarHBondContact O-N 3.13Å; E249-R252 PolarHBondContact O-N 3.35Å; R252-T255 PolarHBondContact O-N 2.92Å; R252-R256 PolarHBondContact O-N 2.92Å
253N64.7Low65.5Low106 Ų106119.3 Ų119.357%0.56763%0.628SS**Hα-helixtrans-72-28.9178.6-78.1-18.7000113E249 T250 A251E249-N253 WeakPolarHBondContact O-CB 3.48Å; E249-N253 PolarHBondContact O-N 3.27Å; T250-N253 PolarHBondContact O-N 3.19Å; A251-N253 VanDerWaalsContact C-N 3.32Å; A251-N253 PolarHBondContact O-N 3.15Å
254A60.4Low63Low61 Ų61123.5 Ų123.550%0.50465%0.649SS.*Hα-helixtrans-69.5-42.8172.500000111.9T250 A251 R256 R257T250-A254 WeakPolarHBondContact O-CB 3.32Å; T250-A254 PolarHBondContact O-N 3.13Å; A251-A254 PolarHBondContact O-N 3.4Å; A254-R256 VanDerWaalsContact C-N 3.27Å; A254-R256 PolarHBondContact O-N 2.92Å; A254-R257 PolarHBondContact O-N 3.01Å
255T59.4Low60.6Low90 Ų90126.7 Ų126.755%0.55266%0.664SS**Hα-helixtrans-67-28.5177.8-41.90000112.6A251 R252 R257 T258A251-T255 PolarHBondContact O-N 2.97Å; A251-T255 VanDerWaalsContact O-N 3.08Å; A251-T255 PolarHBondContact O-OG1 2.85Å; R252-T255 PolarHBondContact O-N 2.92Å; T255-R257 VanDerWaalsContact C-N 3.27Å; T255-R257 PolarHBondContact O-N 3.36Å; T255-T258 PolarHBondContact O-OG1 3.34Å
256R55Low58.1Low209 Ų209123.4 Ų123.479%0.78967%0.665SS**THydrogen-bonded Turntrans-74.3-15178.1-141177.2-172.5-166.11.2113.7R252 A254R252-R256 PolarHBondContact O-N 2.92Å; A254-R256 VanDerWaalsContact C-N 3.27Å; A254-R256 PolarHBondContact O-N 2.92Å
257R54.1Low56Low218 Ų218124 Ų12482%0.82367%0.671SS**THydrogen-bonded Turntrans-92.2-9.7178.7-76.9-174.3168-176.4-2.5114.5A254 T255A254-R257 PolarHBondContact O-N 3.01Å; T255-R257 VanDerWaalsContact C-N 3.27Å; T255-R257 PolarHBondContact O-N 3.36Å
258T54Low53.5Low104 Ų104123.5 Ų123.564%0.63868%0.678SS**THydrogen-bonded Turntrans-104.9-7.9179.946.10000114.5T255T255-T258 PolarHBondContact O-OG1 3.34Å
259N45.5Very low51.4Low138 Ų138126 Ų12674%0.73869%0.686SS**  trans-108.357.8176.5-80.69.2000112.1
260T39.4Very low49.5Very low118 Ų118126 Ų12672%0.72470%0.701SS**  trans-118.376.2161.751.20000108.1
261S41.3Very low47.3Very low99 Ų99128 Ų12869%0.69271%0.712SS**  trans-145.5114.9171.2-68.90000108.7
262S38.7Very low45.6Very low107 Ų107130.3 Ų130.375%0.74873%0.732SS**  trans53.687.7151.759.40000118.1
263V40.1Very low43.7Very low130 Ų130127.1 Ų127.179%0.78873%0.734SS**  trans-133.492.5142.9-176.10000107.8
264T34.2Very low42.6Very low132 Ų132129 Ų12981%0.8175%0.749SS**  trans-82.8102.6167.5-52.20000106.7
265T39.9Very low41.4Very low110 Ų110133.1 Ų133.168%0.67576%0.763SS**  trans-102107.3169.7-45.20000108.5I267T265-I267 PolarHBondContact O-N 3.5Å
266T32.9Very low40.4Very low121 Ų121136.6 Ų136.674%0.74278%0.776SS**  trans-59.9114176.1-41.60000110.1
267I44Very low39.6Very low140 Ų140130.5 Ų130.572%0.71877%0.771SS**  trans-106106.7165-60.9177.8000106.9T265 Q269T265-I267 PolarHBondContact O-N 3.5Å; I267-Q269 HydrophobicContact CG2-CG 4.43Å; I267-Q269 PolarHBondContact O-N 3.32Å
268T32.7Very low38.6Very low128 Ų128127.3 Ų127.379%0.78577%0.77SS**  trans-66.6110.5166.935.70000109.6
269Q37.6Very low37.6Very low170 Ų170127.1 Ų127.179%0.79477%0.769SS**  trans-107.5116.6162.4-81.3179.49.100108.6I267 T271I267-Q269 HydrophobicContact CG2-CG 4.43Å; I267-Q269 PolarHBondContact O-N 3.32Å; Q269-T271 PolarHBondContact O-N 3.02Å
270S38.3Very low37Very low128 Ų128128.7 Ų128.790%0.89577%0.772SS**  trans-75112171-610000109.3
271T32.8Very low36.6Very low135 Ų135128.2 Ų128.283%0.82877%0.773SS**  trans-77.3124.2168.835.90000111Q269Q269-T271 PolarHBondContact O-N 3.02Å
272A40.2Very low36.2Very low102 Ų102128.9 Ų128.984%0.84378%0.778SS**  trans-119.2108.8155.500000108.5
273T32.8Very low35.9Very low123 Ų123133.1 Ų133.176%0.75579%0.786SS**  trans-67.2135.917841.20000112.8
274T40.9Very low35.8Very low145 Ų145135.2 Ų135.289%0.8979%0.787SS**  trans-150.5129.1136.728.80000110.2
275N35.4Very low35.8Very low148 Ų148134.3 Ų134.379%0.79178%0.782SS**  trans-72.5154.9-177.8-67-36000111.8
276I39.3Very low35.7Very low163 Ų163138.2 Ų138.284%0.83680%0.798SS**  173.7114.5112.6-82.6154.7000110.4
277A36.9Very low36.1Very low81 Ų81140.3 Ų140.367%0.66980%0.799SS**  trans49.3131.2138.700000123.3
278N33.8Very low35.9Very low151 Ų151141.9 Ų141.981%0.80781%0.809SS**  trans105.5102.4133.3-78.35.8000120.5
279T33.2Very low36.2Very low101 Ų101139.5 Ų139.562%0.6280%0.797SS**  99.2103.6119.2-45.80000118.5
280E32.2Very low37.3Very low170 Ų170140 Ų14079%0.79480%0.8SS**  trans69.6132.7136.4-65.5176.3147.900122.2
281S30.9Very low37.7Very low108 Ų108141.7 Ų141.776%0.75579%0.791SS**  trans79.793.1148.6-53.90000118.1
282S33.6Very low39.3Very low114 Ų114143 Ų14380%0.79779%0.792SS**  172.9120.8109.1-76.70000111.3Q284S282-Q284 PolarHBondContact O-N 3.48Å
283Q33.2Very low40Very low196 Ų196144.2 Ų144.292%0.91678%0.784SS**  trans-67.1116.2166.2-67.1164.7-1500108.5
284Q36Very low41Very low174 Ų174142.8 Ų142.881%0.81378%0.775SS**  trans-154.996.6163-109163.325.700111.2S282S282-Q284 PolarHBondContact O-N 3.48Å
285T34.4Very low41.7Very low113 Ų113145.3 Ų145.369%0.69377%0.768SS**  trans41.990.5139.9600000118.3Q287T285-Q287 VanDerWaalsContact C-N 3.32Å; T285-Q287 PolarHBondContact O-N 3.07Å
286L38.8Very low42.8Very low192 Ų192145.5 Ų145.5100%1.00577%0.768SS**  trans-64.590150.6-87138000109.2
287Q41.8Very low43.4Very low165 Ų165145 Ų14577%0.77177%0.767SS**  trans-106.8115.4163.7-76.1-174.1-11.400108.4T285 S289T285-Q287 VanDerWaalsContact C-N 3.32Å; T285-Q287 PolarHBondContact O-N 3.07Å; Q287-S289 PolarHBondContact O-N 3.39Å
288N38.3Very low44.4Very low172 Ų172145.9 Ų145.992%0.9276%0.761SS**  trans-43103168.8-84.3-37.6000110.7Q290N288-Q290 PolarHBondContact O-N 3.49Å; N288-Q290 VanDerWaalsContact O-N 3.14Å
289S40.9Very low45.3Very low78 Ų78143.4 Ų143.455%0.54575%0.753SS.*  trans-78.7100.2174.258.30000109.3Q287 F291Q287-S289 PolarHBondContact O-N 3.39Å; S289-F291 PolarHBondContact O-N 2.71Å; S289-F291 VanDerWaalsContact O-N 3.13Å
290Q60.5Low46.3Very low182 Ų182149.1 Ų149.185%0.8577%0.769SS**  trans-76.724.1178.2-157.7175.73.500113.2N288N288-Q290 PolarHBondContact O-N 3.49Å; N288-Q290 VanDerWaalsContact O-N 3.14Å
291F46.9Very low47.8Very low163 Ų163145.8 Ų145.872%0.71576%0.755SS**  trans-122.7132.5-170.4-62.4-74.8000111.7S289 L293S289-F291 PolarHBondContact O-N 2.71Å; S289-F291 VanDerWaalsContact O-N 3.13Å; F291-L293 PolarHBondContact O-N 3.31Å
292L64.4Low50Low162 Ų162143.2 Ų143.285%0.84874%0.737SS**THydrogen-bonded Turntrans-66.81.8-173.3-69170.9000115.1
293L54.9Low52.1Low128 Ų128144.4 Ų144.467%0.6773%0.73SS**THydrogen-bonded Turntrans-103.4-0.5-170.3-62.5176000115F291 R295 L296F291-L293 PolarHBondContact O-N 3.31Å; L293-R295 PolarHBondContact O-N 2.97Å; L293-R295 VanDerWaalsContact O-N 3.09Å; L293-L296 HydrophobicContact CD2-CD1 4.08Å; L293-L296 PolarHBondContact O-N 3.29Å
294T54.4Low54.3Low93 Ų93140.1 Ų140.157%0.57172%0.717SS**G310 helixtrans-65.9-13.1-179.2-50.70000113.8
295R56.4Low56.6Low197 Ų197136.4 Ų136.474%0.74370%0.7SS**G310 helixtrans-83.8-5.4179.3-67.9-80-175.4128.1-0.6114.6L293 N297 D298L293-R295 PolarHBondContact O-N 2.97Å; L293-R295 VanDerWaalsContact O-N 3.09Å; R295-N297 PolarHBondContact O-N 3.39Å; R295-D298 VanDerWaalsContact CD-OD2 3.23Å; R295-D298 WeakPolarHBondContact CD-OD2 3.39Å
296L57.4Low58.7Low152 Ų152138 Ų13880%0.79669%0.693SS**G310 helixtrans-75.2-0.6179.6-70.7172.3000113.7L293L293-L296 HydrophobicContact CD2-CD1 4.08Å; L293-L296 PolarHBondContact O-N 3.29Å
297N52.8Low60.7Low152 Ų152133.9 Ų133.981%0.81367%0.669SS**G310 helixtrans-121.820.4-179.5-155.836.1000113.4R295R295-N297 PolarHBondContact O-N 3.39Å
298D56.7Low62.8Low101 Ų101129.9 Ų129.954%0.5466%0.659SS.*  trans-64.9135.8173.6-82-44000109.9R295R295-D298 VanDerWaalsContact CD-OD2 3.23Å; R295-D298 WeakPolarHBondContact CD-OD2 3.39Å
299P54Low64.7Low99 Ų99127 Ų12764%0.64364%0.641SS**  trans-58.2147.5178.824.9-32.5000110M301P299-M301 PolarHBondContact O-N 2.99Å
300K53.8Low66.7Low220 Ų220127.7 Ų127.796%0.95764%0.636SS**  trans-48.395.8176.3-97.1-179.7169.1176.60110.5
301M64.5Low67.8Low101 Ų101122.1 Ų122.150%0.49862%0.617SS.*  trans-66.5140.7171.8-64.9-59.8-64.300108.5P299 E305P299-M301 PolarHBondContact O-N 2.99Å; M301-E305 HydrophobicContact CE-CB 3.49Å; M301-E305 VanDerWaalsContact CE-CB 3.49Å; M301-E305 VanDerWaalsContact CE-CD 3.41Å; M301-E305 HydrophobicContact CE-CG 3.92Å
302S76.2Confident69.7Low53 Ų53118.2 Ų118.237%0.37160%0.601SS.*  trans-62.4152.917364.90000110.4T304 E305 R306S302-T304 PolarHBondContact O-N 3.2Å; S302-E305 WeakPolarHBondContact CB-OE2 3.48Å; S302-E305 PolarHBondContact N-OE2 3.17Å; S302-E305 VanDerWaalsContact N-OE2 3.13Å; S302-E305 PolarHBondContact O-N 3.49Å; S302-E305 VanDerWaalsContact O-N 3.11Å; S302-E305 WeakPolarHBondContact OG-CG 3.31Å; S302-E305 PolarHBondContact OG-N 3.02Å; S302-E305 PolarHBondContact OG-OE2 3.31Å; S302-R306 PolarHBondContact O-N 3.33Å
303E77.5Confident70.8Confident139 Ų139119.9 Ų119.965%0.6560%0.596SS**Hα-helixtrans-54.8-36.5177.7-172.7172.1179.900111.6R306 Q307E303-R306 PolarHBondContact O-N 3.07Å; E303-Q307 WeakPolarHBondContact O-CG 3.5Å; E303-Q307 PolarHBondContact O-N 3.42Å
304T80.5Confident72.4Confident106 Ų106116 Ų11665%0.6558%0.582SS**Hα-helixtrans-65-44177.2-290000112.9S302 R306 Q307 S308S302-T304 PolarHBondContact O-N 3.2Å; T304-R306 VanDerWaalsContact C-N 3.34Å; T304-Q307 PolarHBondContact O-N 3.14Å; T304-S308 PolarHBondContact O-N 2.96Å
305E83.7Confident74Confident97 Ų97116.1 Ų116.145%0.45358%0.579SS.*Hα-helixtrans-69.1-35.1176.5-74.4164.2128.500111.6M301 S302 S308 M309M301-E305 HydrophobicContact CE-CB 3.49Å; M301-E305 VanDerWaalsContact CE-CB 3.49Å; M301-E305 VanDerWaalsContact CE-CD 3.41Å; M301-E305 HydrophobicContact CE-CG 3.92Å; S302-E305 WeakPolarHBondContact CB-OE2 3.48Å; S302-E305 PolarHBondContact N-OE2 3.17Å; S302-E305 VanDerWaalsContact N-OE2 3.13Å; S302-E305 PolarHBondContact O-N 3.49Å; S302-E305 VanDerWaalsContact O-N 3.11Å; S302-E305 WeakPolarHBondContact OG-CG 3.31Å; S302-E305 PolarHBondContact OG-N 3.02Å; S302-E305 PolarHBondContact OG-OE2 3.31Å; E305-S308 PolarHBondContact O-N 3.02Å; E305-M309 WeakPolarHBondContact O-CG 3.34Å; E305-M309 PolarHBondContact O-N 2.94Å
306R78.8Confident75.5Confident145 Ų145113.5 Ų113.555%0.54757%0.57SS.*Hα-helixtrans-63.8-45.6175.6-162.4-176.278.9132.87.2111.3S302 E303 T304 S308 M309 E310S302-R306 PolarHBondContact O-N 3.33Å; E303-R306 PolarHBondContact O-N 3.07Å; T304-R306 VanDerWaalsContact C-N 3.34Å; R306-S308 VanDerWaalsContact C-N 3.35Å; R306-S308 PolarHBondContact O-N 3.37Å; R306-M309 PolarHBondContact O-N 3.38Å; R306-E310 IonicContact CZ-OE1 3.64Å; R306-E310 IonicContact NE-OE1 3.68Å; R306-E310 IonicContact NH1-OE1 2.74Å; R306-E310 IonicContact NH2-OE1 2.83Å; R306-E310 WeakPolarHBondContact O-CB 3.36Å; R306-E310 WeakPolarHBondContact O-CG 3.45Å; R306-E310 PolarHBondContact O-N 3.01Å
307Q80.7Confident77.1Confident107 Ų107109 Ų10950%0.555%0.551SS.*Hα-helixtrans-61.3-41.5175.7-75.9175.43.300112.2E303 T304 M309 E310 S311E303-Q307 WeakPolarHBondContact O-CG 3.5Å; E303-Q307 PolarHBondContact O-N 3.42Å; T304-Q307 PolarHBondContact O-N 3.14Å; Q307-M309 PolarHBondContact O-N 2.74Å; Q307-E310 PolarHBondContact O-N 3.42Å; Q307-S311 WeakPolarHBondContact O-CB 3.32Å; Q307-S311 PolarHBondContact O-N 3.05Å
308S85.6Confident78.8Confident81 Ų81106.6 Ų106.657%0.56654%0.537SS*.Hα-helixtrans-60.9-44.9176-176.30000112.2T304 E305 R306 S311 E312T304-S308 PolarHBondContact O-N 2.96Å; E305-S308 PolarHBondContact O-N 3.02Å; R306-S308 VanDerWaalsContact C-N 3.35Å; R306-S308 PolarHBondContact O-N 3.37Å; S308-S311 WeakPolarHBondContact O-CB 3.32Å; S308-S311 PolarHBondContact O-N 2.92Å; S308-E312 PolarHBondContact O-N 2.96Å
309M77.6Confident80.5Confident110 Ų110108 Ų10854%0.54254%0.539SS..Hα-helixtrans-65.9-38.3176.8-74.3-73.7-62.700112.9E305 R306 Q307 R313E305-M309 WeakPolarHBondContact O-CG 3.34Å; E305-M309 PolarHBondContact O-N 2.94Å; R306-M309 PolarHBondContact O-N 3.38Å; Q307-M309 PolarHBondContact O-N 2.74Å; M309-R313 VanDerWaalsContact O-CB 3.31Å; M309-R313 WeakPolarHBondContact O-CB 3.48Å; M309-R313 PolarHBondContact O-N 3.03Å
310E82.7Confident82.2Confident94 Ų94106.9 Ų106.944%0.43953%0.53SS..Hα-helixtrans-66-40.9175.2-76.3171178.700111.1R306 Q307 R313 A314R306-E310 IonicContact CZ-OE1 3.64Å; R306-E310 IonicContact NE-OE1 3.68Å; R306-E310 IonicContact NH1-OE1 2.74Å; R306-E310 IonicContact NH2-OE1 2.83Å; R306-E310 WeakPolarHBondContact O-CB 3.36Å; R306-E310 WeakPolarHBondContact O-CG 3.45Å; R306-E310 PolarHBondContact O-N 3.01Å; Q307-E310 PolarHBondContact O-N 3.42Å; E310-R313 PolarHBondContact O-N 3.41Å; E310-A314 WeakPolarHBondContact O-CB 3.49Å; E310-A314 PolarHBondContact O-N 3.41Å
311S85.4Confident83.7Confident65 Ų65101.6 Ų101.646%0.45551%0.509SS..Hα-helixtrans-61.3-50.1173.5-1710000111.7Q307 S308 R313 A314 D315Q307-S311 WeakPolarHBondContact O-CB 3.32Å; Q307-S311 PolarHBondContact O-N 3.05Å; S308-S311 WeakPolarHBondContact O-CB 3.32Å; S308-S311 PolarHBondContact O-N 2.92Å; S311-R313 PolarHBondContact O-N 3.1Å; S311-A314 WeakPolarHBondContact O-CB 3.46Å; S311-A314 PolarHBondContact O-N 2.83Å; S311-A314 VanDerWaalsContact O-N 3.1Å; S311-D315 PolarHBondContact O-N 3.3Å
312E86.3Confident84.9Confident80 Ų80102.9 Ų102.937%0.37451%0.514SS..Hα-helixtrans-62.9-33.6179.7-162.8-165.7-167.800111.6S308 R316S308-E312 PolarHBondContact O-N 2.96Å; E312-R316 VanDerWaalsContact CD-CZ 3.42Å; E312-R316 VanDerWaalsContact CD-NH2 3.34Å; E312-R316 WeakPolarHBondContact O-CB 3.26Å; E312-R316 WeakPolarHBondContact O-CG 3.35Å; E312-R316 PolarHBondContact O-N 3.06Å; E312-R316 IonicContact OE1-CZ 2.72Å; E312-R316 IonicContact OE1-NH1 3.76Å; E312-R316 PolarHBondContact OE1-NH1 3.25Å; E312-R316 IonicContact OE1-NH2 2.67Å; E312-R316 PolarHBondContact OE1-NH2 3.44Å; E312-R316 IonicContact OE2-CZ 3.18Å; E312-R316 IonicContact OE2-NH1 3.2Å; E312-R316 PolarHBondContact OE2-NH1 3.28Å; E312-R316 IonicContact OE2-NH2 2.66Å
313R87.4Confident85.5Confident198 Ų198104.9 Ų104.975%0.74752%0.52SS*.Hα-helixtrans-69.7-39.5174.7-169.1179.3-175.7123.50.2111.8M309 E310 S311 S317M309-R313 VanDerWaalsContact O-CB 3.31Å; M309-R313 WeakPolarHBondContact O-CB 3.48Å; M309-R313 PolarHBondContact O-N 3.03Å; E310-R313 PolarHBondContact O-N 3.41Å; S311-R313 PolarHBondContact O-N 3.1Å; R313-S317 WeakPolarHBondContact O-CB 3.46Å; R313-S317 PolarHBondContact O-N 3.16Å
314A87.3Confident86Confident45 Ų45102.9 Ų102.937%0.37251%0.513SS..Hα-helixtrans-62.8-48.4174.600000111E310 S311 R316 S317 L318E310-A314 WeakPolarHBondContact O-CB 3.49Å; E310-A314 PolarHBondContact O-N 3.41Å; S311-A314 WeakPolarHBondContact O-CB 3.46Å; S311-A314 PolarHBondContact O-N 2.83Å; S311-A314 VanDerWaalsContact O-N 3.1Å; A314-R316 PolarHBondContact O-N 2.97Å; A314-S317 WeakPolarHBondContact O-CB 3.45Å; A314-S317 PolarHBondContact O-N 3.32Å; A314-S317 PolarHBondContact O-OG 3.47Å; A314-L318 PolarHBondContact O-N 3.02Å
315D89.4Confident86.2Confident96 Ų96103 Ų10351%0.51351%0.509SS..Hα-helixtrans-59-45178-67-22.9000111.9S311 S317 L318 F319S311-D315 PolarHBondContact O-N 3.3Å; D315-S317 VanDerWaalsContact C-N 3.31Å; D315-S317 PolarHBondContact O-N 3.16Å; D315-L318 PolarHBondContact O-N 3.24Å; D315-F319 PolarHBondContact O-N 3.02Å
316R88.4Confident86.1Confident142 Ų142101.6 Ų101.654%0.53651%0.51SS..Hα-helixtrans-61.4-39.4174.1-76.9-177.8178.21184.6112.2E312 A314 V320E312-R316 VanDerWaalsContact CD-CZ 3.42Å; E312-R316 VanDerWaalsContact CD-NH2 3.34Å; E312-R316 WeakPolarHBondContact O-CB 3.26Å; E312-R316 WeakPolarHBondContact O-CG 3.35Å; E312-R316 PolarHBondContact O-N 3.06Å; E312-R316 IonicContact OE1-CZ 2.72Å; E312-R316 IonicContact OE1-NH1 3.76Å; E312-R316 PolarHBondContact OE1-NH1 3.25Å; E312-R316 IonicContact OE1-NH2 2.67Å; E312-R316 PolarHBondContact OE1-NH2 3.44Å; E312-R316 IonicContact OE2-CZ 3.18Å; E312-R316 IonicContact OE2-NH1 3.2Å; E312-R316 PolarHBondContact OE2-NH1 3.28Å; E312-R316 IonicContact OE2-NH2 2.66Å; A314-R316 PolarHBondContact O-N 2.97Å; R316-V320 VanDerWaalsContact O-CG2 3.3Å; R316-V320 WeakPolarHBondContact O-CG2 3.32Å; R316-V320 PolarHBondContact O-N 3.19Å; R316-V320 VanDerWaalsContact O-N 3.08Å
317S88.9Confident86.3Confident57 Ų5798 Ų9840%0.39950%0.504SS..Hα-helixtrans-67.8-39.3179.780.80000112.2R313 A314 D315 V320 Q321R313-S317 WeakPolarHBondContact O-CB 3.46Å; R313-S317 PolarHBondContact O-N 3.16Å; A314-S317 WeakPolarHBondContact O-CB 3.45Å; A314-S317 PolarHBondContact O-N 3.32Å; A314-S317 PolarHBondContact O-OG 3.47Å; D315-S317 VanDerWaalsContact C-N 3.31Å; D315-S317 PolarHBondContact O-N 3.16Å; S317-V320 PolarHBondContact O-N 3.38Å; S317-Q321 WeakPolarHBondContact O-CG 3.3Å; S317-Q321 PolarHBondContact O-N 2.69Å
318L90Very high86.2Confident102 Ų10297.7 Ų97.753%0.53451%0.505SS..Hα-helixtrans-64.5-45.8175.7-73.7172.3000111A314 D315 V320 Q321 E322A314-L318 PolarHBondContact O-N 3.02Å; D315-L318 PolarHBondContact O-N 3.24Å; L318-V320 VanDerWaalsContact C-N 3.33Å; L318-V320 PolarHBondContact O-N 3.46Å; L318-Q321 PolarHBondContact O-N 3.44Å; L318-E322 WeakPolarHBondContact O-CB 3.3Å; L318-E322 PolarHBondContact O-N 2.86Å
319F91.6Very high85.7Confident130 Ų13098 Ų9857%0.5750%0.504SS*.Hα-helixtrans-59.1-42.3176176.2-101.2000112.5D315 E322 L323D315-F319 PolarHBondContact O-N 3.02Å; F319-E322 PolarHBondContact O-N 3.27Å; F319-L323 WeakPolarHBondContact O-CB 3.33Å; F319-L323 PolarHBondContact O-N 3.47Å
320V90.1Very high84.8Confident76 Ų76102.7 Ų102.746%0.46152%0.515SS..Hα-helixtrans-66.4-39.4177.5171.30000111.4R316 S317 L318 L323 L324R316-V320 VanDerWaalsContact O-CG2 3.3Å; R316-V320 WeakPolarHBondContact O-CG2 3.32Å; R316-V320 PolarHBondContact O-N 3.19Å; R316-V320 VanDerWaalsContact O-N 3.08Å; S317-V320 PolarHBondContact O-N 3.38Å; L318-V320 VanDerWaalsContact C-N 3.33Å; L318-V320 PolarHBondContact O-N 3.46Å; V320-L323 PolarHBondContact O-N 2.91Å; V320-L324 HydrophobicContact CG1-CD1 4.08Å; V320-L324 WeakPolarHBondContact O-CB 3.38Å; V320-L324 PolarHBondContact O-N 3.41Å
321Q85.7Confident83.5Confident110 Ų110105.8 Ų105.851%0.51453%0.53SS..Hα-helixtrans-63.4-45.7174.2-73.8175.2-7.500111.6S317 L318 L323 L324 L325S317-Q321 WeakPolarHBondContact O-CG 3.3Å; S317-Q321 PolarHBondContact O-N 2.69Å; L318-Q321 PolarHBondContact O-N 3.44Å; Q321-L323 VanDerWaalsContact C-N 3.34Å; Q321-L323 PolarHBondContact O-N 2.92Å; Q321-L324 PolarHBondContact O-N 2.83Å; Q321-L325 VanDerWaalsContact O-CG 3.32Å; Q321-L325 WeakPolarHBondContact O-CG 3.4Å; Q321-L325 PolarHBondContact O-N 3.08Å
322E90.2Very high81.9Confident127 Ų127110.9 Ų110.959%0.59355%0.547SS*.Hα-helixtrans-62.6-40.2176.9-173.1-179.2-178.700111.9L318 F319 L325 S326L318-E322 WeakPolarHBondContact O-CB 3.3Å; L318-E322 PolarHBondContact O-N 2.86Å; F319-E322 PolarHBondContact O-N 3.27Å; E322-L325 PolarHBondContact O-N 3Å; E322-S326 VanDerWaalsContact O-CB 3.3Å; E322-S326 WeakPolarHBondContact O-CB 3.49Å; E322-S326 PolarHBondContact O-N 3.46Å; E322-S326 PolarHBondContact O-OG 2.99Å
323L86.7Confident80Confident96 Ų96111.9 Ų111.950%0.50356%0.562SS.*Hα-helixtrans-62.6-46175-177.165.5000111.4F319 V320 Q321 S326 T327F319-L323 WeakPolarHBondContact O-CB 3.33Å; F319-L323 PolarHBondContact O-N 3.47Å; V320-L323 PolarHBondContact O-N 2.91Å; Q321-L323 VanDerWaalsContact C-N 3.34Å; Q321-L323 PolarHBondContact O-N 2.92Å; L323-S326 PolarHBondContact O-N 2.66Å; L323-T327 WeakPolarHBondContact O-CG2 3.4Å; L323-T327 PolarHBondContact O-N 3.2Å; L323-T327 PolarHBondContact O-OG1 2.93Å
324L88.6Confident77.9Confident97 Ų97107.7 Ų107.751%0.50856%0.563SS.*Hα-helixtrans-60.2-47.5176-91.4155.9000111.6V320 Q321 S326 T327 L328V320-L324 HydrophobicContact CG1-CD1 4.08Å; V320-L324 WeakPolarHBondContact O-CB 3.38Å; V320-L324 PolarHBondContact O-N 3.41Å; Q321-L324 PolarHBondContact O-N 2.83Å; L324-S326 VanDerWaalsContact C-N 3.35Å; L324-S326 PolarHBondContact O-N 2.86Å; L324-T327 WeakPolarHBondContact CA-OG1 3.45Å; L324-T327 PolarHBondContact O-N 3.19Å; L324-T327 PolarHBondContact O-OG1 2.99Å; L324-L328 WeakPolarHBondContact O-CG 3.48Å; L324-L328 PolarHBondContact O-N 3.38Å
325L85Confident75.8Confident109 Ų109111.2 Ų111.257%0.57159%0.585SS**Hα-helixtrans-62.2-42.4177.2-69.1172.1000111.5Q321 E322 T327 L328 V329Q321-L325 VanDerWaalsContact O-CG 3.32Å; Q321-L325 WeakPolarHBondContact O-CG 3.4Å; Q321-L325 PolarHBondContact O-N 3.08Å; E322-L325 PolarHBondContact O-N 3Å; L325-T327 VanDerWaalsContact C-N 3.28Å; L325-T327 PolarHBondContact O-N 2.99Å; L325-L328 PolarHBondContact O-N 3Å; L325-V329 WeakPolarHBondContact O-CB 3.5Å; L325-V329 VanDerWaalsContact O-CG2 3.26Å; L325-V329 WeakPolarHBondContact O-CG2 3.45Å; L325-V329 PolarHBondContact O-N 2.99Å
326S81.1Confident73.4Confident66 Ų66111.9 Ų111.946%0.46260%0.598SS.*Hα-helixtrans-63.7-31.6176.4-62.30000113E322 L323 L324E322-S326 VanDerWaalsContact O-CB 3.3Å; E322-S326 WeakPolarHBondContact O-CB 3.49Å; E322-S326 PolarHBondContact O-N 3.46Å; E322-S326 PolarHBondContact O-OG 2.99Å; L323-S326 PolarHBondContact O-N 2.66Å; L324-S326 VanDerWaalsContact C-N 3.35Å; L324-S326 PolarHBondContact O-N 2.86Å
327T83.4Confident71.3Confident71 Ų71112.4 Ų112.444%0.43661%0.611SS.*Hα-helixtrans-73.8-37.917453.10000112.9L323 L324 L325L323-T327 WeakPolarHBondContact O-CG2 3.4Å; L323-T327 PolarHBondContact O-N 3.2Å; L323-T327 PolarHBondContact O-OG1 2.93Å; L324-T327 WeakPolarHBondContact CA-OG1 3.45Å; L324-T327 PolarHBondContact O-N 3.19Å; L324-T327 PolarHBondContact O-OG1 2.99Å; L325-T327 VanDerWaalsContact C-N 3.28Å; L325-T327 PolarHBondContact O-N 2.99Å
328L79.5Confident69.5Low99 Ų99119 Ų11952%0.51864%0.635SS.*Hα-helixtrans-74.2-42.3-179.4-67.8168.5000112L324 L325 R330 E331L324-L328 WeakPolarHBondContact O-CG 3.48Å; L324-L328 PolarHBondContact O-N 3.38Å; L325-L328 PolarHBondContact O-N 3Å; L328-R330 PolarHBondContact O-N 2.99Å; L328-E331 PolarHBondContact O-N 3.4Å; L328-E331 VanDerWaalsContact O-N 3.14Å
329V75.3Confident67.5Low89 Ų89121.9 Ų121.954%0.53965%0.652SS.*Hα-helixtrans-65.6-26.3179.7173.10000112.3L325 E331 S333L325-V329 WeakPolarHBondContact O-CB 3.5Å; L325-V329 VanDerWaalsContact O-CG2 3.26Å; L325-V329 WeakPolarHBondContact O-CG2 3.45Å; L325-V329 PolarHBondContact O-N 2.99Å; V329-E331 VanDerWaalsContact C-N 3.31Å; V329-E331 PolarHBondContact O-N 3.49Å; V329-S333 PolarHBondContact O-OG 3.41Å
330R58.4Low65.4Low207 Ų207121.6 Ų121.678%0.78166%0.656SS**THydrogen-bonded Turntrans-71.3-21.3175.8-103.5174.963.4-168.2-2.3114L328L328-R330 PolarHBondContact O-N 2.99Å
331E54.9Low63.3Low159 Ų159128.9 Ų128.974%0.74368%0.675SS**THydrogen-bonded Turntrans-82-21.9178.5-66-165.5155.900112.6L328 V329L328-E331 PolarHBondContact O-N 3.4Å; L328-E331 VanDerWaalsContact O-N 3.14Å; V329-E331 VanDerWaalsContact C-N 3.31Å; V329-E331 PolarHBondContact O-N 3.49Å
332E51.6Low61.5Low172 Ų172127.2 Ų127.280%0.80469%0.688SS**THydrogen-bonded Turntrans-88.8-9.5-177.3-56.3-166.2154.500113.8S334E332-S334 PolarHBondContact O-N 2.98Å
333S46.3Very low59.2Low101 Ų101130.3 Ų130.371%0.70670%0.702SS**THydrogen-bonded Turntrans-9011.9-173.5-53.40000114.9V329V329-S333 PolarHBondContact O-OG 3.41Å
334S44.5Very low57.7Low110 Ų110134.5 Ų134.577%0.76972%0.721SS**SBendtrans-127.959.2-173.9179.90000113.2E332E332-S334 PolarHBondContact O-N 2.98Å
335S42.2Very low55.7Low119 Ų119134.6 Ų134.683%0.83274%0.737SS**  trans-163.599.2163.4177.80000108.9
336S39Very low53.8Low111 Ų111136.6 Ų136.678%0.77675%0.748SS**  trans-132.291.8176.960.60000108.6
337D44.6Very low52.2Low153 Ų153142.4 Ų142.482%0.81877%0.765SS**  trans-16096.4164.2-82.8-38.5000106.9
338E50.5Low50.3Low194 Ų194142.3 Ų142.391%0.90778%0.778SS**  trans-150.4111.9160.9-75.6-60.1135.600109.3
339D48Very low48.7Very low163 Ų163142.4 Ų142.487%0.87279%0.793SS**  trans-85.2118.5163.5-95.2-40.2000109.4
340D48.5Very low47.5Very low124 Ų124146.4 Ų146.466%0.66381%0.808SS**SBendtrans30.2122.3141.7-145.935000120.4
341R45.8Very low46.8Very low229 Ų229139.4 Ų139.486%0.86480%0.8SS**  trans107.8102.7146.6-62.2166.9-178.9-123.3-6.8118
342G46.6Very low46.6Very low76 Ų76137.3 Ų137.378%0.78480%0.802SS**  trans-178.185.8160.900000113M344G342-M344 PolarHBondContact O-N 3.41Å
343E43.8Very low46.8Very low192 Ų192135.4 Ų135.490%0.89780%0.802SS**  trans-59.9110.6169.6176.7-178.6169.800111.4
344M53.3Low47Very low183 Ų183137.2 Ų137.290%0.90180%0.803SS**  trans-159.1109.7160.9-68.4-59.1-160.300111.6G342G342-M344 PolarHBondContact O-N 3.41Å
345A47.6Very low47.7Very low100 Ų100139.8 Ų139.883%0.82681%0.807SS**  trans33.3129.314700000123.7
346D45.8Very low48.2Very low151 Ų151139.2 Ų139.281%0.80779%0.792SS**  74.393.3129-16231.8000120.3
347F46.1Very low49.1Very low188 Ų188137.3 Ų137.383%0.82578%0.778SS**  trans-163.987.2134.9-151.6-102.2000110
348G45.2Very low49.6Very low69 Ų69136.2 Ų136.271%0.71177%0.771SS**  trans-75.8123.717800000113
349A44.6Very low49.8Very low100 Ų100132.5 Ų132.583%0.82676%0.757SS**  trans70.676.8150.300000118.8
350M50.7Low50.4Low174 Ų174127 Ų12786%0.85773%0.729SS**  trans-95.4100.1145-164.773.290.200107.4C352M350-C352 PolarHBondContact O-N 3.02Å
351G43Very low50.8Low60 Ų60123 Ų12362%0.61971%0.714SS**  trans-62.8118.8-178.400000111.6V353G351-V353 PolarHBondContact O-N 3.49Å
352C51.7Low51.3Low114 Ų114117.5 Ų117.577%0.7770%0.701SS**  trans-55113.7152.538.50000107.8M350 D354M350-C352 PolarHBondContact O-N 3.02Å; C352-D354 PolarHBondContact O-N 3.19Å
353V55.3Low51.8Low133 Ų133121.4 Ų121.481%0.80670%0.699SS**  trans-83.3107.7169.1-173.80000105.5G351 I355G351-V353 PolarHBondContact O-N 3.49Å; V353-I355 PolarHBondContact O-N 3.46Å; V353-I355 VanDerWaalsContact O-N 3.11Å
354D50.8Low52.4Low138 Ų138117.8 Ų117.874%0.73869%0.686SS**  trans-54.5114.7171.9-68-49.1000109.2C352 M356C352-D354 PolarHBondContact O-N 3.19Å; D354-M356 PolarHBondContact O-N 3.42Å; D354-M356 VanDerWaalsContact O-N 3.15Å
355I57.8Low52.4Low164 Ų164114.3 Ų114.384%0.84167%0.67SS**  trans-72.9105.5174.3-63.5170.1000106.5V353V353-I355 PolarHBondContact O-N 3.46Å; V353-I355 VanDerWaalsContact O-N 3.11Å
356M54Low52.3Low107 Ų107116.8 Ų116.853%0.52767%0.669SS.*  trans-65135.7174.6-61.9-167.680.500109.9D354 V360D354-M356 PolarHBondContact O-N 3.42Å; D354-M356 VanDerWaalsContact O-N 3.15Å; M356-V360 HydrophobicContact CE-CB 3.97Å; M356-V360 HydrophobicContact CE-CG1 3.25Å
357P58.2Low52.3Low72 Ų72116.8 Ų116.847%0.46867%0.669SS.*  trans-54.2142169.6-21.831.6000110.7D359 V360 A361P357-D359 WeakPolarHBondContact CB-OD1 3.42Å; P357-D359 PolarHBondContact O-N 3.14Å; P357-D359 VanDerWaalsContact O-N 3.13Å; P357-V360 HydrophobicContact CB-CG2 4.28Å; P357-V360 HydrophobicContact CG-CG2 4.34Å; P357-V360 WeakPolarHBondContact O-CA 3.32Å; P357-V360 PolarHBondContact O-N 3.27Å; P357-A361 PolarHBondContact O-N 2.92Å; P357-A361 VanDerWaalsContact O-N 3.14Å
358L54.8Low52.2Low130 Ų130116.1 Ų116.168%0.68167%0.666SS**Hα-helixtrans-57.9-30.1-173.7-169.267.4000112.5V360 A361 L362L358-V360 VanDerWaalsContact C-N 3.33Å; L358-A361 PolarHBondContact O-N 3.22Å; L358-L362 HydrophobicContact CG-CD1 4.49Å; L358-L362 PolarHBondContact O-N 3.35Å
359D54.1Low52.3Low115 Ų115121.4 Ų121.462%0.61567%0.672SS**Hα-helixtrans-60.5-36.1172.327.5-48000112.6P357 E363P357-D359 WeakPolarHBondContact CB-OD1 3.42Å; P357-D359 PolarHBondContact O-N 3.14Å; P357-D359 VanDerWaalsContact O-N 3.13Å; D359-E363 PolarHBondContact O-N 2.98Å
360V60.9Low52.4Low47 Ų47121.3 Ų121.329%0.28567%0.665SS.*Hα-helixtrans-84-27.7174.2-1650000111.9M356 P357 L358 L362 N364M356-V360 HydrophobicContact CE-CB 3.97Å; M356-V360 HydrophobicContact CE-CG1 3.25Å; P357-V360 HydrophobicContact CB-CG2 4.28Å; P357-V360 HydrophobicContact CG-CG2 4.34Å; P357-V360 WeakPolarHBondContact O-CA 3.32Å; P357-V360 PolarHBondContact O-N 3.27Å; L358-V360 VanDerWaalsContact C-N 3.33Å; V360-L362 VanDerWaalsContact C-N 3.32Å; V360-N364 PolarHBondContact O-N 3.19Å; V360-N364 PolarHBondContact O-ND2 3.35Å
361A56.2Low52.1Low42 Ų42120 Ų12035%0.34766%0.661SS.*Hα-helixtrans-69.3-31.117300000112.2P357 L358P357-A361 PolarHBondContact O-N 2.92Å; P357-A361 VanDerWaalsContact O-N 3.14Å; L358-A361 PolarHBondContact O-N 3.22Å
362L56Low52.5Low113 Ų113126 Ų12659%0.59267%0.67SS**Hα-helixtrans-75.9-34.9176.1-83.8162.6000113.3L358 V360 N364 L365L358-L362 HydrophobicContact CG-CD1 4.49Å; L358-L362 PolarHBondContact O-N 3.35Å; V360-L362 VanDerWaalsContact C-N 3.32Å; L362-N364 VanDerWaalsContact C-N 3.31Å; L362-N364 PolarHBondContact O-N 3.32Å; L362-L365 PolarHBondContact O-N 3.01Å
363E57.6Low52.2Low157 Ų157123.9 Ų123.973%0.73467%0.668SS**Hα-helixtrans-69-26174.8-83.6-172.5147.300113.5D359D359-E363 PolarHBondContact O-N 2.98Å
364N55.9Low51.8Low116 Ų116125.5 Ų125.562%0.6267%0.672SS**THydrogen-bonded Turntrans-80.2-17.1176.8-76.3-52.6000113.6V360 L362 N366V360-N364 PolarHBondContact O-N 3.19Å; V360-N364 PolarHBondContact O-ND2 3.35Å; L362-N364 VanDerWaalsContact C-N 3.31Å; L362-N364 PolarHBondContact O-N 3.32Å; N364-N366 PolarHBondContact O-N 3.08Å
365L54.1Low52.3Low110 Ų110127.3 Ų127.358%0.57668%0.676SS**SBendtrans-85.487.9168.5-68.8170.3000107.6L362 L367L362-L365 PolarHBondContact O-N 3.01Å; L365-L367 HydrophobicContact CB-CD1 4.47Å; L365-L367 PolarHBondContact O-N 3.21Å
366N45.5Very low52.8Low152 Ų152124.5 Ų124.581%0.81367%0.668SS**  trans-65.949.3179.6-150.145.2000112.8N364 K368N364-N366 PolarHBondContact O-N 3.08Å; N366-K368 PolarHBondContact O-N 3.39Å
367L45.7Very low53.6Low151 Ų151125.1 Ų125.179%0.79168%0.68SS**  trans-74.171.9173.5-75.8164.5000108.4L365 E369L365-L367 HydrophobicContact CB-CD1 4.47Å; L365-L367 PolarHBondContact O-N 3.21Å; L367-E369 VanDerWaalsContact C-N 3.29Å; L367-E369 PolarHBondContact O-N 3.23Å
368K44.9Very low54.3Low175 Ų175127.1 Ų127.176%0.76169%0.693SS**  trans-60.194162.5-172.499.6170.7-1740107.5N366 S370N366-K368 PolarHBondContact O-N 3.39Å; K368-S370 VanDerWaalsContact C-N 3.28Å; K368-S370 PolarHBondContact O-N 3.34Å; K368-S370 PolarHBondContact O-OG 3.4Å
369E46.3Very low55Low180 Ų180126.5 Ų126.584%0.84170%0.697SS**  trans-51.997162.9-88.3-177.5106.200108.5L367 N371L367-E369 VanDerWaalsContact C-N 3.29Å; L367-E369 PolarHBondContact O-N 3.23Å; E369-N371 PolarHBondContact O-N 3.32Å; E369-N371 VanDerWaalsContact O-N 3.16Å
370S46.4Very low55.4Low97 Ų97127 Ų12768%0.67871%0.706SS**  trans-87.867.8170.4-59.60000107.3K368 K372K368-S370 VanDerWaalsContact C-N 3.28Å; K368-S370 PolarHBondContact O-N 3.34Å; K368-S370 PolarHBondContact O-OG 3.4Å; S370-K372 PolarHBondContact O-N 3.36Å
371N45.3Very low54.9Low146 Ų146136.7 Ų136.778%0.78176%0.755SS**  trans-74.380.1167.7-162.4-16000107.9E369E369-N371 PolarHBondContact O-N 3.32Å; E369-N371 VanDerWaalsContact O-N 3.16Å
372K50.7Low54.8Low187 Ų187141.4 Ų141.481%0.81378%0.776SS**  trans-110.9109.1166.4-78.3-173.5176.2179.50107.2S370 N374S370-K372 PolarHBondContact O-N 3.36Å; K372-N374 PolarHBondContact O-N 3.39Å
373G45.6Very low54.8Low70 Ų70142.9 Ų142.972%0.72279%0.786SS**  trans-53.3127.2-178.400000112.4E375G373-E375 VanDerWaalsContact C-N 3.32Å; G373-E375 PolarHBondContact O-N 3.33Å; G373-E375 VanDerWaalsContact O-N 3.1Å
374N48.1Very low54.6Low167 Ų167142.1 Ų142.189%0.89379%0.788SS**  trans-75.188.1163.5-77.4-25.3000108.1K372K372-N374 PolarHBondContact O-N 3.39Å
375E59.8Low54.5Low176 Ų176143.6 Ų143.682%0.82280%0.798SS**PPolyproline II helixtrans-71.9130.3162.3-170.9-179.812800108.7G373G373-E375 VanDerWaalsContact C-N 3.32Å; G373-E375 PolarHBondContact O-N 3.33Å; G373-E375 VanDerWaalsContact O-N 3.1Å
376P68.6Low54.5Low104 Ų104145.8 Ų145.868%0.67581%0.812SS**PPolyproline II helixtrans-72.1147.4179.129.9-33.2000111
377P71.1Confident55.1Low120 Ų120145.3 Ų145.378%0.77981%0.812SS**PPolyproline II helixtrans-68.8146.1-178.429.7-33.9000111.1
378P73.2Confident55.8Low114 Ų114144.9 Ų144.974%0.7481%0.814SS**PPolyproline II helixtrans-71.3150.9176.529.7-33.3000111.4
379P69.6Low56.7Low117 Ų117142.6 Ų142.676%0.7682%0.818SS**PPolyproline II helixtrans-70.2156.1179.129.4-34.2000112.1
380P61.1Low57.5Low125 Ų125139.5 Ų139.581%0.81282%0.816SS**PPolyproline II helixtrans-79.5131.8-171.832.3-32.2000111.7
381L50.7Low58.5Low251 Ų251143.4 Ų143.4100%1.31483%0.828SS**  trans-140.70158.9-81-179.5000110.3

Retrieved 381 of 381 residues in 145.5 ms (Link to these results)

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