A0A077ZDR2_TRITR Loading...

glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZDR2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 400 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
1M43.8Very low82.4Confident151 Ų15136.1 Ų36.174%0.74417%0.173SC*.  0120.50-59.9175.1-166.900108.1N86 M107M1-N86 HydrophobicContact CB-CB 3.41Å; M1-N86 VanDerWaalsContact CB-CB 3.41Å; M1-N86 PolarHBondContact O-ND2 2.91Å; M1-N86 HydrophobicContact SD-CB 4.49Å; M1-M107 HydrophobicContact SD-CE 4.36Å
2T64.4Low82.9Confident65 Ų6533.1 Ų33.140%0.39916%0.159SC..  trans-109.9-179.3177.254.60000109.2N86T2-N86 PolarHBondContact O-N 3.34Å
3H78.8Confident83.4Confident6 Ų631.9 Ų31.93%0.02815%0.153CC..SBendtrans-54.3165160.867.9-81000111R5 P24 T87 E256 Y260H3-R5 PolarHBondContact O-N 2.74Å; H3-P24 WeakPolarHBondContact NE2-CG 3.5Å; H3-T87 VanDerWaalsContact CA-OG1 3.25Å; H3-T87 WeakPolarHBondContact CA-OG1 3.48Å; H3-T87 WeakPolarHBondContact CB-OG1 3.3Å; H3-E256 IonicContact CE1-OE2 2.75Å; H3-E256 PolarHBondContact CE1-OE2 2.68Å; H3-E256 IonicContact ND1-OE2 2.84Å; H3-E256 IonicContact NE2-OE2 3.55Å; H3-Y260 HydrophobicContact CB-CE1 4.24Å; H3-Y260 PolarHBondContact CE1-OH 2.81Å; H3-Y260 AromaticContact ND1-CE1 3.53Å; H3-Y260 AromaticContact ND1-CZ 3.55Å; H3-Y260 PolarHBondContact ND1-OH 3.12Å
4M86.1Confident84Confident6 Ų629.9 Ų29.93%0.0314%0.144CC..  trans-72.697.7179.4-175.8177-166.600110.8A9 S14 I85 R95 F97 V101M4-A9 HydrophobicContact CE-CB 3.65Å; M4-A9 HydrophobicContact CG-CB 4.42Å; M4-S14 WeakPolarHBondContact CE-OG 3.34Å; M4-I85 HydrophobicContact CB-CD1 3.85Å; M4-I85 HydrophobicContact CB-CG1 4.16Å; M4-I85 HydrophobicContact CB-CG2 3.97Å; M4-I85 HydrophobicContact CG-CD1 4.1Å; M4-R95 PolarHBondContact O-NH1 2.74Å; M4-F97 HydrophobicContact SD-CB 4.48Å; M4-V101 HydrophobicContact CE-CG1 4.37Å; M4-V101 HydrophobicContact CE-CG2 3.8Å; M4-V101 HydrophobicContact SD-CG1 4.03Å; M4-V101 HydrophobicContact SD-CG2 4.5Å
5R88.7Confident84.5Confident77 Ų7730.8 Ų30.829%0.29115%0.153SC..  trans-69.4151.7-179-57177.2-62.4150-3.1111.7H3 E7 T8 A9H3-R5 PolarHBondContact O-N 2.74Å; R5-E7 VanDerWaalsContact C-N 3.3Å; R5-E7 VanDerWaalsContact CB-CD 3.5Å; R5-E7 HydrophobicContact CB-CG 4.41Å; R5-E7 WeakPolarHBondContact CB-OE1 3.47Å; R5-E7 WeakPolarHBondContact CB-OE2 3.34Å; R5-E7 WeakPolarHBondContact CD-OE1 3.01Å; R5-E7 IonicContact CZ-OE1 3.66Å; R5-E7 IonicContact NE-OE1 3.64Å; R5-E7 PolarHBondContact NE-OE1 3.49Å; R5-E7 IonicContact NH1-OE1 2.78Å; R5-E7 PolarHBondContact NH1-OE1 3.11Å; R5-E7 PolarHBondContact O-N 2.94Å; R5-T8 PolarHBondContact NH2-OG1 3.41Å; R5-T8 VanDerWaalsContact NH2-OG1 3.11Å; R5-T8 PolarHBondContact O-N 2.93Å; R5-A9 PolarHBondContact O-N 2.69Å
6T91.9Very high85.1Confident4 Ų429.5 Ų29.53%0.02515%0.148CC..Hα-helixtrans-54.5-45.9179.4-61.40000112.2A9 W10 Y44 L48T6-A9 PolarHBondContact O-N 3.01Å; T6-W10 WeakPolarHBondContact O-CB 2.84Å; T6-W10 PolarHBondContact O-N 3.29Å; T6-Y44 HydrophobicContact CG2-CD2 3.2Å; T6-Y44 HydrophobicContact CG2-CE2 3.26Å; T6-Y44 HydrophobicContact CG2-CG 4.07Å; T6-L48 HydrophobicContact CG2-CD2 4.27Å
7E91.4Very high85.7Confident16 Ų1629.9 Ų29.98%0.07515%0.153CC..Hα-helixtrans-69.9-37.1-178.765.9-82.9-16800112.9R5 W10 S11 T47 L48 H51R5-E7 VanDerWaalsContact C-N 3.3Å; R5-E7 VanDerWaalsContact CB-CD 3.5Å; R5-E7 HydrophobicContact CB-CG 4.41Å; R5-E7 WeakPolarHBondContact CB-OE1 3.47Å; R5-E7 WeakPolarHBondContact CB-OE2 3.34Å; R5-E7 WeakPolarHBondContact CD-OE1 3.01Å; R5-E7 IonicContact CZ-OE1 3.66Å; R5-E7 IonicContact NE-OE1 3.64Å; R5-E7 PolarHBondContact NE-OE1 3.49Å; R5-E7 IonicContact NH1-OE1 2.78Å; R5-E7 PolarHBondContact NH1-OE1 3.11Å; R5-E7 PolarHBondContact O-N 2.94Å; E7-W10 WeakPolarHBondContact O-CB 2.96Å; E7-W10 PolarHBondContact O-N 2.78Å; E7-S11 PolarHBondContact O-N 3.34Å; E7-S11 PolarHBondContact O-OG 2.94Å; E7-T47 HydrophobicContact CB-CG2 4.43Å; E7-T47 WeakPolarHBondContact OE2-CG2 3.18Å; E7-L48 HydrophobicContact CB-CD2 4.21Å; E7-H51 HydrophobicContact CB-CB 3.57Å; E7-H51 HydrophobicContact CG-CB 3.81Å; E7-H51 VanDerWaalsContact CG-CG 3.48Å
8T88.7Confident86.2Confident19 Ų1929.7 Ų29.712%0.11715%0.154CC..Hα-helixtrans-70.9-36175-66.30000110.8R5 W10 N12 E77R5-T8 PolarHBondContact NH2-OG1 3.41Å; R5-T8 VanDerWaalsContact NH2-OG1 3.11Å; R5-T8 PolarHBondContact O-N 2.93Å; T8-W10 VanDerWaalsContact C-N 3.34Å; T8-N12 WeakPolarHBondContact CG2-ND2 3.33Å; T8-N12 VanDerWaalsContact O-CB 3.3Å; T8-N12 WeakPolarHBondContact O-CB 3.26Å; T8-N12 PolarHBondContact O-N 2.73Å; T8-N12 VanDerWaalsContact O-N 3.08Å; T8-N12 PolarHBondContact O-ND2 3.13Å; T8-E77 WeakPolarHBondContact CA-OE1 3.43Å; T8-E77 PolarHBondContact OG1-OE1 3.18Å
9A92Very high86.7Confident0 Ų031.7 Ų31.70%017%0.171CC..Hα-helixtrans-61.7-44.9171.300000111M4 R5 T6 N12 H13 S14M4-A9 HydrophobicContact CE-CB 3.65Å; M4-A9 HydrophobicContact CG-CB 4.42Å; R5-A9 PolarHBondContact O-N 2.69Å; T6-A9 PolarHBondContact O-N 3.01Å; A9-N12 CarbonylContact O-C 3.46Å; A9-N12 PolarHBondContact O-N 2.79Å; A9-H13 PolarHBondContact O-N 2.7Å; A9-H13 VanDerWaalsContact O-N 3.1Å; A9-S14 PolarHBondContact O-N 2.76Å
10W91.1Very high87.1Confident53 Ų5334.7 Ų34.720%0.20118%0.18CC..Hα-helixtrans-60.6-50.9175.9176.7-95000113T6 E7 T8 N12 H13 L48 L343 Y346 F347T6-W10 WeakPolarHBondContact O-CB 2.84Å; T6-W10 PolarHBondContact O-N 3.29Å; E7-W10 WeakPolarHBondContact O-CB 2.96Å; E7-W10 PolarHBondContact O-N 2.78Å; T8-W10 VanDerWaalsContact C-N 3.34Å; W10-N12 PolarHBondContact O-N 3.33Å; W10-H13 PolarHBondContact O-N 3.33Å; W10-L48 HydrophobicContact CB-CD2 3.5Å; W10-L48 HydrophobicContact CD2-CD1 3.86Å; W10-L48 HydrophobicContact CD2-CD2 4.27Å; W10-L48 HydrophobicContact CE3-CD1 4.01Å; W10-L48 HydrophobicContact CG-CD1 4.12Å; W10-L48 HydrophobicContact CG-CD2 3.64Å; W10-L343 HydrophobicContact CH2-CD1 4.03Å; W10-L343 HydrophobicContact CZ2-CD1 4.18Å; W10-Y346 HydrophobicContact CZ3-CE1 4.2Å; W10-F347 HydrophobicContact CH2-CE2 4.08Å; W10-F347 HydrophobicContact CH2-CZ 4.01Å; W10-F347 HydrophobicContact CZ3-CZ 4.06Å
11S89.5Confident87.5Confident0 Ų033.6 Ų33.60%018%0.175CC..Hα-helixtrans-57.6-33.1176.9-66.40000111.8E7 E77 R78E7-S11 PolarHBondContact O-N 3.34Å; E7-S11 PolarHBondContact O-OG 2.94Å; S11-E77 VanDerWaalsContact CB-CD 3.44Å; S11-E77 WeakPolarHBondContact CB-OE2 3.47Å; S11-E77 VanDerWaalsContact OG-CD 3.29Å; S11-E77 PolarHBondContact OG-OE2 3.01Å; S11-R78 WeakPolarHBondContact O-CB 3.28Å; S11-R78 WeakPolarHBondContact O-CG 3.4Å
12N88.6Confident89.9Confident0 Ų026.7 Ų26.70%014%0.141CC..THydrogen-bonded Turntrans-90.16.3179.2-75.3-61.5000114.8T8 A9 W10 S14 E77 N83 R100T8-N12 WeakPolarHBondContact CG2-ND2 3.33Å; T8-N12 VanDerWaalsContact O-CB 3.3Å; T8-N12 WeakPolarHBondContact O-CB 3.26Å; T8-N12 PolarHBondContact O-N 2.73Å; T8-N12 VanDerWaalsContact O-N 3.08Å; T8-N12 PolarHBondContact O-ND2 3.13Å; A9-N12 CarbonylContact O-C 3.46Å; A9-N12 PolarHBondContact O-N 2.79Å; W10-N12 PolarHBondContact O-N 3.33Å; N12-S14 PolarHBondContact O-N 3.39Å; N12-E77 PolarHBondContact OD1-O 3.08Å; N12-N83 PolarHBondContact ND2-ND2 3.5Å; N12-N83 PolarHBondContact ND2-OD1 3.25Å; N12-N83 VanDerWaalsContact ND2-OD1 3.14Å; N12-N83 PolarHBondContact OD1-ND2 2.96Å; N12-R100 PolarHBondContact O-NE 3.46Å; N12-R100 PolarHBondContact O-NH2 3.2Å; N12-R100 PolarHBondContact OD1-NH1 2.87Å; N12-R100 PolarHBondContact OD1-NH2 3.3Å
13H89.2Confident91.3Very high18 Ų1823.7 Ų23.78%0.08312%0.122CC..THydrogen-bonded Turntrans48.328-171.3-77.5-76.6000113.7A9 W10 R78 M98 A338 D339 Y346A9-H13 PolarHBondContact O-N 2.7Å; A9-H13 VanDerWaalsContact O-N 3.1Å; W10-H13 PolarHBondContact O-N 3.33Å; H13-R78 VanDerWaalsContact CD2-CZ 3.45Å; H13-R78 PolarHBondContact CD2-NE 2.67Å; H13-R78 PolarHBondContact CD2-NH2 2.8Å; H13-R78 PolarHBondContact NE2-NH2 2.86Å; H13-M98 VanDerWaalsContact O-CE 3.29Å; H13-M98 WeakPolarHBondContact O-CE 3.22Å; H13-A338 HydrophobicContact CB-CB 4.14Å; H13-A338 WeakPolarHBondContact ND1-CB 3.46Å; H13-D339 IonicContact CD2-OD1 3.03Å; H13-D339 PolarHBondContact CD2-OD1 3.31Å; H13-D339 IonicContact CG-OD1 3.66Å; H13-D339 IonicContact NE2-OD1 3.9Å; H13-Y346 AromaticContact ND1-CE2 3.91Å
14S91.6Very high91.9Very high4 Ų424.5 Ų24.53%0.02813%0.129CC..  trans-84.2130.6174.6-1720000108.6M4 A9 N12 S16 F97 M98M4-S14 WeakPolarHBondContact CE-OG 3.34Å; A9-S14 PolarHBondContact O-N 2.76Å; N12-S14 PolarHBondContact O-N 3.39Å; S14-S16 PolarHBondContact O-N 3.12Å; S14-F97 VanDerWaalsContact OG-CA 3.29Å; S14-F97 WeakPolarHBondContact OG-CA 3.41Å; S14-M98 PolarHBondContact OG-N 2.86Å; S14-M98 VanDerWaalsContact OG-N 3.09Å
15P92.2Very high92Very high43 Ų4326 Ų2628%0.27915%0.145SC..  trans-55.7130.6-179.2-26.334.7000111.4R95 P96 M98P15-R95 PolarHBondContact O-NH2 2.75Å; P15-P96 HydrophobicContact CB-CB 3.88Å; P15-P96 HydrophobicContact CB-CG 3.66Å; P15-P96 HydrophobicContact CG-CB 4.37Å; P15-P96 VanDerWaalsContact O-O 3.08Å; P15-M98 HydrophobicContact CG-CE 4.38Å
16S93.8Very high92.2Very high10 Ų1023 Ų237%0.0714%0.135CC..  trans-14366.8175.3-166.40000111S14 P18 Y44 R95S14-S16 PolarHBondContact O-N 3.12Å; S16-P18 WeakPolarHBondContact O-CD 3.15Å; S16-Y44 WeakPolarHBondContact O-CE2 3.37Å; S16-R95 VanDerWaalsContact CB-NH2 3.33Å; S16-R95 PolarHBondContact OG-NH2 3.09Å
17P94.8Very high92.2Very high37 Ų3723.5 Ų23.524%0.2414%0.14CC..  trans-66.2120.2-170.4-22.536.9000112.3S19 Y20 I21 P96P17-S19 PolarHBondContact O-N 3.12Å; P17-S19 VanDerWaalsContact O-N 3.1Å; P17-Y20 HydrophobicContact CB-CD1 4.18Å; P17-Y20 HydrophobicContact CB-CE1 3.61Å; P17-Y20 HydrophobicContact CG-CE1 3.8Å; P17-Y20 WeakPolarHBondContact CG-OH 3.13Å; P17-Y20 PolarHBondContact O-N 3.31Å; P17-I21 WeakPolarHBondContact O-CB 3.43Å; P17-I21 PolarHBondContact O-N 2.64Å; P17-P96 HydrophobicContact CG-CG 4.37Å
18P95.4Very high92.4Very high26 Ų2623.6 Ų23.617%0.16914%0.141CC..THydrogen-bonded Turntrans-71.9-2.8-179.429-34.9000113.7S16 Y20 N40 F41 Y44S16-P18 WeakPolarHBondContact O-CD 3.15Å; P18-Y20 VanDerWaalsContact C-N 3.34Å; P18-N40 PolarHBondContact O-ND2 2.79Å; P18-F41 HydrophobicContact CB-CD2 4.44Å; P18-F41 HydrophobicContact CG-CD2 3.88Å; P18-Y44 HydrophobicContact CB-CD2 3.7Å; P18-Y44 HydrophobicContact CB-CE2 4.42Å; P18-Y44 HydrophobicContact CB-CG 3.82Å; P18-Y44 HydrophobicContact CG-CD1 4.31Å; P18-Y44 HydrophobicContact CG-CD2 3.98Å; P18-Y44 HydrophobicContact CG-CE2 4.33Å; P18-Y44 HydrophobicContact CG-CG 3.99Å
19S95.2Very high92.7Very high67 Ų6724.7 Ų24.747%0.46915%0.148SC..THydrogen-bonded Turntrans-72.2-26.5177.150.70000113.4P17 R37P17-S19 PolarHBondContact O-N 3.12Å; P17-S19 VanDerWaalsContact O-N 3.1Å; S19-R37 WeakPolarHBondContact O-CD 3.26Å
20Y94.8Very high92.8Very high91 Ų9127.3 Ų27.336%0.35716%0.162SC..THydrogen-bonded Turntrans-142.2-8.417965.2-94.8000113.9P17 P18 P22 D30 P96P17-Y20 HydrophobicContact CB-CD1 4.18Å; P17-Y20 HydrophobicContact CB-CE1 3.61Å; P17-Y20 HydrophobicContact CG-CE1 3.8Å; P17-Y20 WeakPolarHBondContact CG-OH 3.13Å; P17-Y20 PolarHBondContact O-N 3.31Å; P18-Y20 VanDerWaalsContact C-N 3.34Å; Y20-P22 WeakPolarHBondContact O-CD 3.37Å; Y20-D30 WeakPolarHBondContact O-CA 3.31Å; Y20-D30 WeakPolarHBondContact O-CB 3.27Å; Y20-P96 WeakPolarHBondContact OH-CD 3.14Å; Y20-P96 WeakPolarHBondContact OH-CG 3.41Å
21I95.2Very high93Very high13 Ų1329.1 Ų29.17%0.06718%0.183CC..SBendtrans-97115172.2-57.4-178.4000108.8P17 V23 N40 R95P17-I21 WeakPolarHBondContact O-CB 3.43Å; P17-I21 PolarHBondContact O-N 2.64Å; I21-V23 PolarHBondContact O-N 2.89Å; I21-N40 PolarHBondContact O-ND2 3.06Å; I21-R95 HydrophobicContact CD1-CB 3.56Å; I21-R95 HydrophobicContact CG1-CB 4.31Å
22P94.8Very high93.3Very high5 Ų530.1 Ų30.13%0.03219%0.187CC..PPolyproline II helixtrans-68.9132.5177.728.4-34.1000110.7Y20 L28 F93Y20-P22 WeakPolarHBondContact O-CD 3.37Å; P22-L28 HydrophobicContact CB-CB 3.85Å; P22-L28 WeakPolarHBondContact CB-O 3.3Å; P22-F93 HydrophobicContact CG-CD2 3.62Å; P22-F93 HydrophobicContact CG-CE2 3.91Å
23V94.1Very high93.7Very high2 Ų234.2 Ų34.21%0.01221%0.209CC..PPolyproline II helixtrans-70.7135.9176.2175.30000108.7I21 G25 T26 N40 Y44I21-V23 PolarHBondContact O-N 2.89Å; V23-G25 PolarHBondContact O-N 2.75Å; V23-T26 HydrophobicContact CB-CG2 3.98Å; V23-T26 WeakPolarHBondContact O-CB 3.2Å; V23-T26 VanDerWaalsContact O-CG2 3.26Å; V23-T26 WeakPolarHBondContact O-CG2 3.28Å; V23-T26 PolarHBondContact O-N 3.3Å; V23-T26 VanDerWaalsContact O-N 3.16Å; V23-T26 PolarHBondContact O-OG1 2.87Å; V23-N40 WeakPolarHBondContact CB-OD1 3.42Å; V23-N40 WeakPolarHBondContact CG2-OD1 3.38Å; V23-N40 PolarHBondContact N-OD1 2.94Å; V23-Y44 HydrophobicContact CG2-CD2 4.27Å
24P89.9Confident94.1Very high24 Ų2440 Ų4016%0.15623%0.234CC..THydrogen-bonded Turntrans-52.8136.4175.8-26.335.3000112.1H3H3-P24 WeakPolarHBondContact NE2-CG 3.5Å
25G89.3Confident94.5Very high36 Ų3646 Ų4637%0.37127%0.265SS..THydrogen-bonded Turntrans90.2-4.4-175.900000115.5V23 D259V23-G25 PolarHBondContact O-N 2.75Å; G25-D259 VanDerWaalsContact CA-OD2 3.23Å; G25-D259 WeakPolarHBondContact CA-OD2 3.05Å; G25-D259 PolarHBondContact N-OD2 3.1Å
26T92.6Very high94.7Very high14 Ų1447.4 Ų47.49%0.08627%0.268CS..SBendtrans-86.1-21-179.460.50000113.8V23 L28 F39V23-T26 HydrophobicContact CB-CG2 3.98Å; V23-T26 WeakPolarHBondContact O-CB 3.2Å; V23-T26 VanDerWaalsContact O-CG2 3.26Å; V23-T26 WeakPolarHBondContact O-CG2 3.28Å; V23-T26 PolarHBondContact O-N 3.3Å; V23-T26 VanDerWaalsContact O-N 3.16Å; V23-T26 PolarHBondContact O-OG1 2.87Å; T26-L28 PolarHBondContact O-N 3.48Å; T26-F39 HydrophobicContact CG2-CD1 4.47Å; T26-F39 HydrophobicContact CG2-CE1 3.95Å
27A91.6Very high94.9Very high16 Ų1652.2 Ų52.213%0.13229%0.285CS..  trans56.424.9-172.200000114.6R258 D259 V262A27-R258 HydrophobicContact CB-CG 3.74Å; A27-R258 VanDerWaalsContact CB-NH1 3.28Å; A27-D259 WeakPolarHBondContact CA-OD1 3.03Å; A27-D259 PolarHBondContact N-OD1 3.4Å; A27-V262 HydrophobicContact CB-CG2 4.32Å
28L95Very high95.1Very high18 Ų1852.6 Ų52.69%0.09429%0.288CS..  trans-88.4166.2175.4-65.2177.1000111.3P22 T26 M32 E36 F39 N40P22-L28 HydrophobicContact CB-CB 3.85Å; P22-L28 WeakPolarHBondContact CB-O 3.3Å; T26-L28 PolarHBondContact O-N 3.48Å; L28-M32 HydrophobicContact CB-CG 4.26Å; L28-M32 HydrophobicContact CB-SD 4.15Å; L28-M32 HydrophobicContact CD1-CG 4.3Å; L28-M32 HydrophobicContact CD1-SD 3.71Å; L28-E36 HydrophobicContact CD1-CB 4.25Å; L28-E36 HydrophobicContact CD2-CB 4.06Å; L28-E36 HydrophobicContact CD2-CG 3.88Å; L28-F39 HydrophobicContact CD1-CD1 4.15Å; L28-N40 HydrophobicContact CD1-CB 3.89Å
29T95.4Very high95.2Very high41 Ų4156.7 Ų56.725%0.25230%0.304SS..  trans-104.9-177.5172.875.40000110.9S31 M32 F93 V262 A266T29-S31 PolarHBondContact OG1-N 3.33Å; T29-S31 VanDerWaalsContact OG1-N 3.11Å; T29-S31 PolarHBondContact OG1-O 2.84Å; T29-S31 VanDerWaalsContact OG1-O 3.06Å; T29-M32 WeakPolarHBondContact O-CG 3.44Å; T29-F93 HydrophobicContact CG2-CZ 4.06Å; T29-V262 HydrophobicContact CG2-CG1 3.85Å; T29-A266 HydrophobicContact CG2-CB 4.22Å
30D94.5Very high95.3Very high56 Ų5653.5 Ų53.530%0.29928%0.281SS..SBendtrans-74.4-11.5169.658.6-8.9000114Y20 F93 P94Y20-D30 WeakPolarHBondContact O-CA 3.31Å; Y20-D30 WeakPolarHBondContact O-CB 3.27Å; D30-F93 HydrophobicContact CB-CB 3.97Å; D30-F93 HydrophobicContact CB-CD1 3.9Å; D30-F93 HydrophobicContact CB-CG 3.94Å; D30-F93 VanDerWaalsContact CG-CD1 3.41Å; D30-P94 WeakPolarHBondContact OD2-CD 3.43Å
31S95.4Very high95.5Very high91 Ų9154.2 Ų54.264%0.63629%0.287SS*.SBendtrans-102.996173.2-61.80000109.3T29T29-S31 PolarHBondContact OG1-N 3.33Å; T29-S31 VanDerWaalsContact OG1-N 3.11Å; T29-S31 PolarHBondContact OG1-O 2.84Å; T29-S31 VanDerWaalsContact OG1-O 3.06Å
32M96.4Very high95.6Very high21 Ų2159 Ų5910%0.10331%0.312CS..  trans-117.9138.8-177.3-70.2175.1-81.700111.8L28 T29 E36 R37 N40L28-M32 HydrophobicContact CB-CG 4.26Å; L28-M32 HydrophobicContact CB-SD 4.15Å; L28-M32 HydrophobicContact CD1-CG 4.3Å; L28-M32 HydrophobicContact CD1-SD 3.71Å; T29-M32 WeakPolarHBondContact O-CG 3.44Å; M32-E36 WeakPolarHBondContact CA-OE2 3.18Å; M32-E36 HydrophobicContact CB-CB 3.8Å; M32-E36 HydrophobicContact CG-CB 4.05Å; M32-R37 HydrophobicContact CB-CG 3.57Å; M32-R37 HydrophobicContact SD-CG 4.45Å; M32-N40 HydrophobicContact SD-CB 3.74Å
33D97.4Very high95.7Very high86 Ų8659.5 Ų59.546%0.4632%0.316SS..  trans-74-174.3169.878.921.3000112.5L35 E36 R37D33-L35 WeakPolarHBondContact OD1-CA 3.32Å; D33-L35 PolarHBondContact OD1-N 3.32Å; D33-E36 PolarHBondContact N-OE2 2.93Å; D33-E36 WeakPolarHBondContact OD1-CG 3.41Å; D33-E36 PolarHBondContact OD1-N 3.21Å; D33-R37 VanDerWaalsContact O-CB 3.28Å; D33-R37 WeakPolarHBondContact O-CB 3.46Å; D33-R37 WeakPolarHBondContact O-CG 3.46Å; D33-R37 PolarHBondContact O-N 2.81Å; D33-R37 PolarHBondContact O-NE 2.8Å
34F97.9Very high95.8Very high139 Ų13960.9 Ų60.961%0.6132%0.321SS*.Hα-helixtrans-65.3-40.6179.6179.5-97.8000113.8S38F34-S38 WeakPolarHBondContact O-CB 3.2Å; F34-S38 PolarHBondContact O-N 3.47Å; F34-S38 PolarHBondContact O-OG 3.4Å
35L98.1Very high96.1Very high129 Ų12963.7 Ų63.768%0.67533%0.333SS*.Hα-helixtrans-72.8-40.8-178.7-66.2178000110.7D33 S38 F39D33-L35 WeakPolarHBondContact OD1-CA 3.32Å; D33-L35 PolarHBondContact OD1-N 3.32Å; L35-S38 WeakPolarHBondContact O-CB 3.41Å; L35-S38 PolarHBondContact O-N 2.89Å; L35-F39 WeakPolarHBondContact O-CB 3.08Å; L35-F39 PolarHBondContact O-N 3.31Å
36E98Very high96.4Very high74 Ų7468.3 Ų68.335%0.34634%0.344SS..Hα-helixtrans-62.8-46174.4-68.6177.5137.600111.2L28 M32 D33 S38 F39 N40L28-E36 HydrophobicContact CD1-CB 4.25Å; L28-E36 HydrophobicContact CD2-CB 4.06Å; L28-E36 HydrophobicContact CD2-CG 3.88Å; M32-E36 WeakPolarHBondContact CA-OE2 3.18Å; M32-E36 HydrophobicContact CB-CB 3.8Å; M32-E36 HydrophobicContact CG-CB 4.05Å; D33-E36 PolarHBondContact N-OE2 2.93Å; D33-E36 WeakPolarHBondContact OD1-CG 3.41Å; D33-E36 PolarHBondContact OD1-N 3.21Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 2.9Å; E36-F39 PolarHBondContact O-N 3.15Å; E36-N40 VanDerWaalsContact O-CB 3.28Å; E36-N40 WeakPolarHBondContact O-CB 3.31Å; E36-N40 PolarHBondContact O-N 3.2Å
37R98.1Very high96.5Very high110 Ų11069.1 Ų69.142%0.41535%0.349SS..Hα-helixtrans-60.6-39.1173.5-74.2-179.2-57.8-173.96.1112.2S19 M32 D33 N40 F41S19-R37 WeakPolarHBondContact O-CD 3.26Å; M32-R37 HydrophobicContact CB-CG 3.57Å; M32-R37 HydrophobicContact SD-CG 4.45Å; D33-R37 VanDerWaalsContact O-CB 3.28Å; D33-R37 WeakPolarHBondContact O-CB 3.46Å; D33-R37 WeakPolarHBondContact O-CG 3.46Å; D33-R37 PolarHBondContact O-N 2.81Å; D33-R37 PolarHBondContact O-NE 2.8Å; R37-N40 PolarHBondContact O-N 3.39Å; R37-F41 WeakPolarHBondContact O-CB 3.23Å; R37-F41 PolarHBondContact O-N 2.81Å
38S98.3Very high96.7Very high45 Ų4569.7 Ų69.732%0.31535%0.349SS..Hα-helixtrans-64.6-45.7177.2-60.80000111.3F34 L35 E36 F41 L42F34-S38 WeakPolarHBondContact O-CB 3.2Å; F34-S38 PolarHBondContact O-N 3.47Å; F34-S38 PolarHBondContact O-OG 3.4Å; L35-S38 WeakPolarHBondContact O-CB 3.41Å; L35-S38 PolarHBondContact O-N 2.89Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 2.9Å; S38-F41 PolarHBondContact O-N 3.29Å; S38-L42 WeakPolarHBondContact O-CG 3.35Å; S38-L42 PolarHBondContact O-N 2.84Å
39F97.9Very high96.7Very high112 Ų11275.9 Ų75.949%0.49137%0.372SS..Hα-helixtrans-63.1-40.9174.9176.3-110.5000112.2T26 L28 L35 E36 L42 S43T26-F39 HydrophobicContact CG2-CD1 4.47Å; T26-F39 HydrophobicContact CG2-CE1 3.95Å; L28-F39 HydrophobicContact CD1-CD1 4.15Å; L35-F39 WeakPolarHBondContact O-CB 3.08Å; L35-F39 PolarHBondContact O-N 3.31Å; E36-F39 PolarHBondContact O-N 3.15Å; F39-L42 PolarHBondContact O-N 3.46Å; F39-S43 WeakPolarHBondContact O-CB 3.19Å; F39-S43 PolarHBondContact O-N 2.72Å; F39-S43 PolarHBondContact O-OG 2.88Å
40N97.6Very high96.7Very high0 Ų076.7 Ų76.70%038%0.375CS..Hα-helixtrans-64.6-41.7177.3-16548.7000111.8P18 I21 V23 L28 M32 E36 R37 S43 Y44P18-N40 PolarHBondContact O-ND2 2.79Å; I21-N40 PolarHBondContact O-ND2 3.06Å; V23-N40 WeakPolarHBondContact CB-OD1 3.42Å; V23-N40 WeakPolarHBondContact CG2-OD1 3.38Å; V23-N40 PolarHBondContact N-OD1 2.94Å; L28-N40 HydrophobicContact CD1-CB 3.89Å; M32-N40 HydrophobicContact SD-CB 3.74Å; E36-N40 VanDerWaalsContact O-CB 3.28Å; E36-N40 WeakPolarHBondContact O-CB 3.31Å; E36-N40 PolarHBondContact O-N 3.2Å; R37-N40 PolarHBondContact O-N 3.39Å; N40-S43 CarbonylContact O-C 3.58Å; N40-S43 WeakPolarHBondContact O-CB 3.47Å; N40-S43 PolarHBondContact O-N 2.8Å; N40-Y44 WeakPolarHBondContact O-CB 3.46Å; N40-Y44 PolarHBondContact O-N 2.98Å
41F97.8Very high96.7Very high106 Ų10674.6 Ų74.647%0.46536%0.363SS..Hα-helixtrans-64.7-42.7176179.6-117.2000112.8P18 R37 S38 S43 Y44 I45P18-F41 HydrophobicContact CB-CD2 4.44Å; P18-F41 HydrophobicContact CG-CD2 3.88Å; R37-F41 WeakPolarHBondContact O-CB 3.23Å; R37-F41 PolarHBondContact O-N 2.81Å; S38-F41 PolarHBondContact O-N 3.29Å; F41-S43 VanDerWaalsContact C-N 3.29Å; F41-S43 PolarHBondContact O-N 3.14Å; F41-Y44 WeakPolarHBondContact O-CB 3.48Å; F41-Y44 PolarHBondContact O-N 3.36Å; F41-I45 HydrophobicContact CD1-CD1 4.14Å; F41-I45 HydrophobicContact CE1-CD1 3.63Å; F41-I45 HydrophobicContact CE2-CD1 4.16Å; F41-I45 HydrophobicContact CE2-CG1 4.37Å; F41-I45 HydrophobicContact CZ-CD1 3.65Å; F41-I45 HydrophobicContact CZ-CG1 4.32Å; F41-I45 PolarHBondContact O-N 2.95Å
42L98Very high96.6Very high114 Ų11473.2 Ų73.260%0.59735%0.346SS*.Hα-helixtrans-63.1-39.1173.5-69174.7000111.5S38 F39 Y44 I45 K46S38-L42 WeakPolarHBondContact O-CG 3.35Å; S38-L42 PolarHBondContact O-N 2.84Å; F39-L42 PolarHBondContact O-N 3.46Å; L42-Y44 VanDerWaalsContact C-N 3.34Å; L42-I45 PolarHBondContact O-N 3.01Å; L42-K46 WeakPolarHBondContact O-CB 3.28Å; L42-K46 PolarHBondContact O-N 3.08Å
43S96.4Very high96.5Very high16 Ų1678.4 Ų78.411%0.11237%0.365CS..Hα-helixtrans-64.6-38.3174.7-61.10000111.7F39 N40 F41 K46 T47F39-S43 WeakPolarHBondContact O-CB 3.19Å; F39-S43 PolarHBondContact O-N 2.72Å; F39-S43 PolarHBondContact O-OG 2.88Å; N40-S43 CarbonylContact O-C 3.58Å; N40-S43 WeakPolarHBondContact O-CB 3.47Å; N40-S43 PolarHBondContact O-N 2.8Å; F41-S43 VanDerWaalsContact C-N 3.29Å; F41-S43 PolarHBondContact O-N 3.14Å; S43-K46 PolarHBondContact O-N 3Å; S43-T47 WeakPolarHBondContact O-CB 3.36Å; S43-T47 PolarHBondContact O-N 3.38Å; S43-T47 PolarHBondContact O-OG1 2.7Å; S43-T47 VanDerWaalsContact O-OG1 3.1Å
44Y96.4Very high96.4Very high30 Ų3078.6 Ų78.612%0.11837%0.365CS..Hα-helixtrans-59.5-51.7175.2178.9-84.7000111T6 S16 P18 V23 N40 F41 L42 K46 T47 L48T6-Y44 HydrophobicContact CG2-CD2 3.2Å; T6-Y44 HydrophobicContact CG2-CE2 3.26Å; T6-Y44 HydrophobicContact CG2-CG 4.07Å; S16-Y44 WeakPolarHBondContact O-CE2 3.37Å; P18-Y44 HydrophobicContact CB-CD2 3.7Å; P18-Y44 HydrophobicContact CB-CE2 4.42Å; P18-Y44 HydrophobicContact CB-CG 3.82Å; P18-Y44 HydrophobicContact CG-CD1 4.31Å; P18-Y44 HydrophobicContact CG-CD2 3.98Å; P18-Y44 HydrophobicContact CG-CE2 4.33Å; P18-Y44 HydrophobicContact CG-CG 3.99Å; V23-Y44 HydrophobicContact CG2-CD2 4.27Å; N40-Y44 WeakPolarHBondContact O-CB 3.46Å; N40-Y44 PolarHBondContact O-N 2.98Å; F41-Y44 WeakPolarHBondContact O-CB 3.48Å; F41-Y44 PolarHBondContact O-N 3.36Å; L42-Y44 VanDerWaalsContact C-N 3.34Å; Y44-K46 VanDerWaalsContact C-N 3.33Å; Y44-K46 PolarHBondContact O-N 3.37Å; Y44-T47 PolarHBondContact O-N 3.16Å; Y44-L48 HydrophobicContact CD1-CD1 3.98Å; Y44-L48 HydrophobicContact CD1-CG 4.41Å; Y44-L48 HydrophobicContact CE1-CD1 3.32Å; Y44-L48 HydrophobicContact CE1-CG 4.11Å; Y44-L48 WeakPolarHBondContact O-CG 3.5Å; Y44-L48 PolarHBondContact O-N 3.32Å
45I96.1Very high96.2Very high83 Ų8375.5 Ų75.543%0.42635%0.354SS..Hα-helixtrans-59.7-46177.5-65.7168.7000110.6F41 L42 T47 L48 Y49F41-I45 HydrophobicContact CD1-CD1 4.14Å; F41-I45 HydrophobicContact CE1-CD1 3.63Å; F41-I45 HydrophobicContact CE2-CD1 4.16Å; F41-I45 HydrophobicContact CE2-CG1 4.37Å; F41-I45 HydrophobicContact CZ-CD1 3.65Å; F41-I45 HydrophobicContact CZ-CG1 4.32Å; F41-I45 PolarHBondContact O-N 2.95Å; L42-I45 PolarHBondContact O-N 3.01Å; I45-T47 PolarHBondContact O-N 3.14Å; I45-L48 PolarHBondContact O-N 3.42Å; I45-Y49 WeakPolarHBondContact O-CB 3.46Å; I45-Y49 PolarHBondContact O-N 3.3Å
46K96.1Very high96.1Very high134 Ų13469.7 Ų69.758%0.58332%0.323SS*.Hα-helixtrans-57.6-48.8178.2173.4-173167.1-169.60111.4L42 S43 Y44 Y49 I50L42-K46 WeakPolarHBondContact O-CB 3.28Å; L42-K46 PolarHBondContact O-N 3.08Å; S43-K46 PolarHBondContact O-N 3Å; Y44-K46 VanDerWaalsContact C-N 3.33Å; Y44-K46 PolarHBondContact O-N 3.37Å; K46-Y49 PolarHBondContact O-N 3.35Å; K46-I50 HydrophobicContact CD-CD1 4.43Å; K46-I50 HydrophobicContact CG-CD1 3.78Å; K46-I50 HydrophobicContact CG-CG1 4.47Å; K46-I50 WeakPolarHBondContact O-CG1 3.1Å; K46-I50 PolarHBondContact O-N 3.28Å
47T94.9Very high95.9Very high31 Ų3172.8 Ų72.819%0.1933%0.332CS..Hα-helixtrans-63.9-42.7-178.2-660000111.6E7 S43 Y44 I45 Y49 I50 H51E7-T47 HydrophobicContact CB-CG2 4.43Å; E7-T47 WeakPolarHBondContact OE2-CG2 3.18Å; S43-T47 WeakPolarHBondContact O-CB 3.36Å; S43-T47 PolarHBondContact O-N 3.38Å; S43-T47 PolarHBondContact O-OG1 2.7Å; S43-T47 VanDerWaalsContact O-OG1 3.1Å; Y44-T47 PolarHBondContact O-N 3.16Å; I45-T47 PolarHBondContact O-N 3.14Å; T47-Y49 PolarHBondContact O-N 2.91Å; T47-I50 PolarHBondContact O-N 3.46Å; T47-H51 WeakPolarHBondContact O-CB 3.29Å; T47-H51 PolarHBondContact O-N 2.94Å
48L94.4Very high95.8Very high27 Ų2770.8 Ų70.814%0.14134%0.335CS..Hα-helixtrans-61.8-42.7174.2-67.4-171000112.4T6 E7 W10 Y44 I45 H52T6-L48 HydrophobicContact CG2-CD2 4.27Å; E7-L48 HydrophobicContact CB-CD2 4.21Å; W10-L48 HydrophobicContact CB-CD2 3.5Å; W10-L48 HydrophobicContact CD2-CD1 3.86Å; W10-L48 HydrophobicContact CD2-CD2 4.27Å; W10-L48 HydrophobicContact CE3-CD1 4.01Å; W10-L48 HydrophobicContact CG-CD1 4.12Å; W10-L48 HydrophobicContact CG-CD2 3.64Å; Y44-L48 HydrophobicContact CD1-CD1 3.98Å; Y44-L48 HydrophobicContact CD1-CG 4.41Å; Y44-L48 HydrophobicContact CE1-CD1 3.32Å; Y44-L48 HydrophobicContact CE1-CG 4.11Å; Y44-L48 WeakPolarHBondContact O-CG 3.5Å; Y44-L48 PolarHBondContact O-N 3.32Å; I45-L48 PolarHBondContact O-N 3.42Å; L48-H52 VanDerWaalsContact O-CB 3.3Å; L48-H52 WeakPolarHBondContact O-CB 3.41Å; L48-H52 PolarHBondContact O-N 2.86Å
49Y95.5Very high95.7Very high148 Ų14872 Ų7258%0.5834%0.337SS*.Hα-helixtrans-61.7-49.3177.1179.5-88.7000111.5I45 K46 T47 H51 H52 R53I45-Y49 WeakPolarHBondContact O-CB 3.46Å; I45-Y49 PolarHBondContact O-N 3.3Å; K46-Y49 PolarHBondContact O-N 3.35Å; T47-Y49 PolarHBondContact O-N 2.91Å; Y49-H51 PolarHBondContact O-N 3.49Å; Y49-H52 PolarHBondContact O-N 3.39Å; Y49-R53 HydrophobicContact CD2-CB 4.48Å; Y49-R53 HydrophobicContact CD2-CG 3.9Å; Y49-R53 HydrophobicContact CE1-CB 4.34Å; Y49-R53 HydrophobicContact CE2-CB 4.25Å; Y49-R53 HydrophobicContact CE2-CG 3.8Å; Y49-R53 HydrophobicContact CG-CG 4.43Å; Y49-R53 VanDerWaalsContact O-CB 3.25Å; Y49-R53 WeakPolarHBondContact O-CB 3.31Å; Y49-R53 PolarHBondContact O-N 3.31Å
50I95.8Very high95.6Very high59 Ų5967.6 Ų67.630%0.30332%0.319SS..Iπ-helixtrans-59.7-48.2179.2-69.7170.8000110.4K46 T47 I54 I55K46-I50 HydrophobicContact CD-CD1 4.43Å; K46-I50 HydrophobicContact CG-CD1 3.78Å; K46-I50 HydrophobicContact CG-CG1 4.47Å; K46-I50 WeakPolarHBondContact O-CG1 3.1Å; K46-I50 PolarHBondContact O-N 3.28Å; T47-I50 PolarHBondContact O-N 3.46Å; I50-I54 HydrophobicContact CG1-CD1 4.3Å; I50-I54 HydrophobicContact CG2-CD1 4.48Å; I50-I54 WeakPolarHBondContact O-CA 3.33Å; I50-I54 VanDerWaalsContact O-CB 3.23Å; I50-I54 WeakPolarHBondContact O-CB 3.47Å; I50-I54 PolarHBondContact O-N 3.03Å; I50-I55 HydrophobicContact CG2-CD1 4.14Å; I50-I55 HydrophobicContact CG2-CG1 4.32Å; I50-I55 PolarHBondContact O-N 3.47Å
51H94.6Very high95.5Very high11 Ų1173.6 Ų73.65%0.05135%0.35CS..Iπ-helixtrans-61-52.9-179.8-173.963.8000111.7E7 T47 Y49 I55 L56 E77E7-H51 HydrophobicContact CB-CB 3.57Å; E7-H51 HydrophobicContact CG-CB 3.81Å; E7-H51 VanDerWaalsContact CG-CG 3.48Å; T47-H51 WeakPolarHBondContact O-CB 3.29Å; T47-H51 PolarHBondContact O-N 2.94Å; Y49-H51 PolarHBondContact O-N 3.49Å; H51-I55 PolarHBondContact O-N 3.48Å; H51-L56 WeakPolarHBondContact O-CG 3.35Å; H51-L56 PolarHBondContact O-N 3.39Å; H51-E77 IonicContact CD2-OE2 3.43Å; H51-E77 IonicContact CE1-OE2 4Å; H51-E77 IonicContact NE2-OE1 3.84Å; H51-E77 IonicContact NE2-OE2 3.49Å; H51-E77 PolarHBondContact NE2-OE2 2.83Å
52H92.8Very high95.4Very high62 Ų6272.3 Ų72.329%0.28735%0.35SS..Iπ-helixtrans-75.1-38.1-172.3-170.577.7000113.7L48 Y49 F74L48-H52 VanDerWaalsContact O-CB 3.3Å; L48-H52 WeakPolarHBondContact O-CB 3.41Å; L48-H52 PolarHBondContact O-N 2.86Å; Y49-H52 PolarHBondContact O-N 3.39Å; H52-F74 AromaticContact ND1-CD2 3.84Å
53R93.9Very high95.3Very high131 Ų13170.4 Ų70.449%0.49434%0.337SS..Iπ-helixtrans-95.7-23.6-174-61.4-60-169.3-177.21.7114.1Y49 R57Y49-R53 HydrophobicContact CD2-CB 4.48Å; Y49-R53 HydrophobicContact CD2-CG 3.9Å; Y49-R53 HydrophobicContact CE1-CB 4.34Å; Y49-R53 HydrophobicContact CE2-CB 4.25Å; Y49-R53 HydrophobicContact CE2-CG 3.8Å; Y49-R53 HydrophobicContact CG-CG 4.43Å; Y49-R53 VanDerWaalsContact O-CB 3.25Å; Y49-R53 WeakPolarHBondContact O-CB 3.31Å; Y49-R53 PolarHBondContact O-N 3.31Å; R53-R57 WeakPolarHBondContact O-CB 3.31Å; R53-R57 WeakPolarHBondContact O-CG 3.48Å
54I95.5Very high95.2Very high90 Ų9074.2 Ų74.246%0.46235%0.352SS..Iπ-helixtrans-109.6-63.6-178.6-51.4178.7000109.3I50 S58I50-I54 HydrophobicContact CG1-CD1 4.3Å; I50-I54 HydrophobicContact CG2-CD1 4.48Å; I50-I54 WeakPolarHBondContact O-CA 3.33Å; I50-I54 VanDerWaalsContact O-CB 3.23Å; I50-I54 WeakPolarHBondContact O-CB 3.47Å; I50-I54 PolarHBondContact O-N 3.03Å; I54-S58 WeakPolarHBondContact O-CB 3.34Å; I54-S58 PolarHBondContact O-N 2.92Å; I54-S58 PolarHBondContact O-OG 3.5Å
55I95.2Very high95.2Very high73 Ų7380.4 Ų80.437%0.37438%0.379SS..Iπ-helixtrans-65.8-57.1-170.7-60.9174000111.7I50 H51 R57 S58 L59I50-I55 HydrophobicContact CG2-CD1 4.14Å; I50-I55 HydrophobicContact CG2-CG1 4.32Å; I50-I55 PolarHBondContact O-N 3.47Å; H51-I55 PolarHBondContact O-N 3.48Å; I55-R57 VanDerWaalsContact C-N 3.3Å; I55-R57 PolarHBondContact O-N 2.75Å; I55-S58 PolarHBondContact O-N 3.47Å; I55-L59 HydrophobicContact CG2-CD1 4.24Å; I55-L59 WeakPolarHBondContact O-CG 3.26Å; I55-L59 PolarHBondContact O-N 2.81Å
56L94.6Very high95.2Very high7 Ų782.8 Ų82.84%0.03739%0.387CS..Hα-helixtrans-63.2-37.5-177.6-67.3-177.2000111.9H51 L59 D60 A73 F74H51-L56 WeakPolarHBondContact O-CG 3.35Å; H51-L56 PolarHBondContact O-N 3.39Å; L56-L59 HydrophobicContact CD2-CD1 4.22Å; L56-L59 WeakPolarHBondContact O-CB 3.29Å; L56-L59 PolarHBondContact O-N 3.49Å; L56-D60 VanDerWaalsContact O-CG 3.3Å; L56-D60 PolarHBondContact O-N 3.05Å; L56-A73 HydrophobicContact CD2-CB 3.98Å; L56-F74 HydrophobicContact CD1-CB 3.85Å; L56-F74 HydrophobicContact CD1-CD2 3.78Å; L56-F74 HydrophobicContact CD1-CG 4.31Å
57R94.5Very high95.2Very high140 Ų14082.8 Ų82.853%0.52838%0.384SS..Hα-helixtrans-64.3-40.9175-76.5-74.6175.7130.4-7.9112.5R53 I55 L59 D60 I61R53-R57 WeakPolarHBondContact O-CB 3.31Å; R53-R57 WeakPolarHBondContact O-CG 3.48Å; I55-R57 VanDerWaalsContact C-N 3.3Å; I55-R57 PolarHBondContact O-N 2.75Å; R57-L59 VanDerWaalsContact C-N 3.32Å; R57-D60 PolarHBondContact O-N 3.34Å; R57-I61 WeakPolarHBondContact O-CG1 3.4Å; R57-I61 PolarHBondContact O-N 3.45Å; R57-I61 VanDerWaalsContact O-N 3.16Å
58S96Very high95.1Very high68 Ų6886 Ų8648%0.47641%0.405SS..Hα-helixtrans-64.5-38.3173.9-660000111.9I54 I55 I61 V62I54-S58 WeakPolarHBondContact O-CB 3.34Å; I54-S58 PolarHBondContact O-N 2.92Å; I54-S58 PolarHBondContact O-OG 3.5Å; I55-S58 PolarHBondContact O-N 3.47Å; S58-I61 PolarHBondContact O-N 3.36Å; S58-V62 WeakPolarHBondContact O-CG2 3.1Å; S58-V62 PolarHBondContact O-N 3.32Å
59L95.3Very high95.1Very high71 Ų7191.7 Ų91.737%0.37243%0.431SS..Hα-helixtrans-63.9-46.3174.2-69.7172.7000111.6I55 L56 R57 I61 V62 F63 A73I55-L59 HydrophobicContact CG2-CD1 4.24Å; I55-L59 WeakPolarHBondContact O-CG 3.26Å; I55-L59 PolarHBondContact O-N 2.81Å; L56-L59 HydrophobicContact CD2-CD1 4.22Å; L56-L59 WeakPolarHBondContact O-CB 3.29Å; L56-L59 PolarHBondContact O-N 3.49Å; R57-L59 VanDerWaalsContact C-N 3.32Å; L59-I61 VanDerWaalsContact C-N 3.29Å; L59-I61 PolarHBondContact O-N 2.73Å; L59-V62 PolarHBondContact O-N 3.15Å; L59-V62 VanDerWaalsContact O-N 3.1Å; L59-F63 VanDerWaalsContact O-CB 3.32Å; L59-F63 WeakPolarHBondContact O-CB 3.48Å; L59-F63 WeakPolarHBondContact O-CG 3.47Å; L59-F63 PolarHBondContact O-N 3.17Å; L59-A73 HydrophobicContact CB-CB 4.11Å
60D95.9Very high95.1Very high19 Ų1987 Ų8710%0.10242%0.416CS..Hα-helixtrans-56.6-41.7177.8-71.9-28.8000112.4L56 R57 V62 F63 K64 D72 A73L56-D60 VanDerWaalsContact O-CG 3.3Å; L56-D60 PolarHBondContact O-N 3.05Å; R57-D60 PolarHBondContact O-N 3.34Å; D60-V62 VanDerWaalsContact C-N 3.3Å; D60-V62 PolarHBondContact O-N 2.95Å; D60-F63 PolarHBondContact O-N 3.47Å; D60-K64 VanDerWaalsContact O-CB 3.25Å; D60-K64 WeakPolarHBondContact O-CB 3.41Å; D60-K64 VanDerWaalsContact O-CG 3.26Å; D60-K64 WeakPolarHBondContact O-CG 3.06Å; D60-K64 PolarHBondContact O-N 3.01Å; D60-D72 WeakPolarHBondContact OD1-CA 3.38Å; D60-A73 WeakPolarHBondContact OD1-CB 3.5Å; D60-A73 PolarHBondContact OD1-N 3.36Å
61I95.4Very high95Very high126 Ų12688 Ų8865%0.64643%0.426SS*.Hα-helixtrans-60.5-42.4178.2-69.9164.9000111R57 S58 L59R57-I61 WeakPolarHBondContact O-CG1 3.4Å; R57-I61 PolarHBondContact O-N 3.45Å; R57-I61 VanDerWaalsContact O-N 3.16Å; S58-I61 PolarHBondContact O-N 3.36Å; L59-I61 VanDerWaalsContact C-N 3.29Å; L59-I61 PolarHBondContact O-N 2.73Å
62V95.9Very high94.9Very high78 Ų7890.2 Ų90.247%0.47344%0.438SS..Hα-helixtrans-72.9-47.7179.5177.80000110.3S58 L59 D60 K65 F66S58-V62 WeakPolarHBondContact O-CG2 3.1Å; S58-V62 PolarHBondContact O-N 3.32Å; L59-V62 PolarHBondContact O-N 3.15Å; L59-V62 VanDerWaalsContact O-N 3.1Å; D60-V62 VanDerWaalsContact C-N 3.3Å; D60-V62 PolarHBondContact O-N 2.95Å; V62-K65 WeakPolarHBondContact O-CB 3.36Å; V62-K65 PolarHBondContact O-N 3.15Å; V62-F66 HydrophobicContact CG1-CD2 4.32Å; V62-F66 HydrophobicContact CG1-CE2 4.2Å; V62-F66 VanDerWaalsContact O-CD2 3.24Å; V62-F66 WeakPolarHBondContact O-CD2 3.39Å
63F95.5Very high95Very high75 Ų7587.5 Ų87.533%0.32943%0.427SS..Hα-helixtrans-60.8-50-178.2-81.14.7000112.1L59 D60 K65 F66 Y67 I70 I76L59-F63 VanDerWaalsContact O-CB 3.32Å; L59-F63 WeakPolarHBondContact O-CB 3.48Å; L59-F63 WeakPolarHBondContact O-CG 3.47Å; L59-F63 PolarHBondContact O-N 3.17Å; D60-F63 PolarHBondContact O-N 3.47Å; F63-K65 PolarHBondContact O-N 3.18Å; F63-F66 PolarHBondContact O-N 2.78Å; F63-Y67 PolarHBondContact O-N 3.49Å; F63-I70 HydrophobicContact CB-CD1 3.63Å; F63-I70 HydrophobicContact CB-CG1 4.43Å; F63-I70 HydrophobicContact CD2-CD1 3.73Å; F63-I70 HydrophobicContact CG-CD1 3.82Å; F63-I76 HydrophobicContact CD2-CD1 4.47Å; F63-I76 HydrophobicContact CE2-CD1 4.5Å
64K95.6Very high94.8Very high95 Ų9582.8 Ų82.841%0.41341%0.41SS..Hα-helixtrans-65.7-20.9-179.8-69.1178.6177.4-179.70113.8D60 F66 D72D60-K64 VanDerWaalsContact O-CB 3.25Å; D60-K64 WeakPolarHBondContact O-CB 3.41Å; D60-K64 VanDerWaalsContact O-CG 3.26Å; D60-K64 WeakPolarHBondContact O-CG 3.06Å; D60-K64 PolarHBondContact O-N 3.01Å; K64-F66 VanDerWaalsContact C-N 3.35Å; K64-D72 WeakPolarHBondContact CE-OD1 3.1Å; K64-D72 IonicContact NZ-OD1 2.65Å; K64-D72 PolarHBondContact NZ-OD1 2.91Å
65K95.8Very high94.6Very high160 Ų16085 Ų8570%0.69641%0.413SS*.Hα-helixtrans-68.4-35.4173.4-178179.1176.2-179.20112.1V62 F63V62-K65 WeakPolarHBondContact O-CB 3.36Å; V62-K65 PolarHBondContact O-N 3.15Å; F63-K65 PolarHBondContact O-N 3.18Å
66F96.4Very high94.4Very high133 Ų13385.1 Ų85.158%0.58341%0.414SS*.Hα-helixtrans-103.3-28.3-176.2-64.8-73.4000113.2V62 F63 K64V62-F66 HydrophobicContact CG1-CD2 4.32Å; V62-F66 HydrophobicContact CG1-CE2 4.2Å; V62-F66 VanDerWaalsContact O-CD2 3.24Å; V62-F66 WeakPolarHBondContact O-CD2 3.39Å; F63-F66 PolarHBondContact O-N 2.78Å; K64-F66 VanDerWaalsContact C-N 3.35Å
67Y95.6Very high94.2Very high134 Ų13486.5 Ų86.553%0.52542%0.42SS..  trans-138.379.3-176.7-50.6-76.1000108.8F63 E69 I70F63-Y67 PolarHBondContact O-N 3.49Å; Y67-E69 PolarHBondContact O-N 2.97Å; Y67-I70 WeakPolarHBondContact O-CG1 3.41Å; Y67-I70 PolarHBondContact O-N 3.18Å
68P93Very high93.9Very high98 Ų9881.9 Ų81.964%0.63640%0.403SS*.THydrogen-bonded Turntrans-60.4-23.8-177.8-24.334.6000114.4
69E95.4Very high93.4Very high147 Ų14782.8 Ų82.869%0.68740%0.402SS*.THydrogen-bonded Turntrans-86-13.4-174.871.2-78.3-17600114.7Y67Y67-E69 PolarHBondContact O-N 2.97Å
70I93.7Very high93Very high50 Ų5080.8 Ų80.826%0.25640%0.396SS..SBendtrans-75.6145.7-177.164.7168.2000111.2F63 Y67 I76F63-I70 HydrophobicContact CB-CD1 3.63Å; F63-I70 HydrophobicContact CB-CG1 4.43Å; F63-I70 HydrophobicContact CD2-CD1 3.73Å; F63-I70 HydrophobicContact CG-CD1 3.82Å; Y67-I70 WeakPolarHBondContact O-CG1 3.41Å; Y67-I70 PolarHBondContact O-N 3.18Å; I70-I76 HydrophobicContact CD1-CD1 4.16Å
71P93.8Very high92.6Very high80 Ų8081.4 Ų81.452%0.51940%0.402SS..PPolyproline II helixtrans-58.1159.8174-23.133.5000112.4I76P71-I76 HydrophobicContact CB-CG1 4.36Å; P71-I76 WeakPolarHBondContact O-CD1 3.47Å
72D93.5Very high92.3Very high57 Ų5776.7 Ų76.731%0.30538%0.378SS..PPolyproline II helixtrans-57.3146.3173.4-58.3-24.4000110.6D60 K64 F74 Y75 I76D60-D72 WeakPolarHBondContact OD1-CA 3.38Å; K64-D72 WeakPolarHBondContact CE-OD1 3.1Å; K64-D72 IonicContact NZ-OD1 2.65Å; K64-D72 PolarHBondContact NZ-OD1 2.91Å; D72-F74 PolarHBondContact O-N 3.39Å; D72-Y75 HydrophobicContact CB-CD2 4.02Å; D72-Y75 WeakPolarHBondContact O-CA 3.18Å; D72-Y75 WeakPolarHBondContact O-CB 3.45Å; D72-Y75 PolarHBondContact O-N 2.9Å; D72-I76 PolarHBondContact O-N 3.07Å; D72-I76 VanDerWaalsContact O-N 3.09Å
73A93.6Very high92Very high6 Ų674 Ų745%0.0536%0.36CS..Hα-helixtrans-54.5-32-176.800000112.7L56 L59 D60 I76 E77L56-A73 HydrophobicContact CD2-CB 3.98Å; L59-A73 HydrophobicContact CB-CB 4.11Å; D60-A73 WeakPolarHBondContact OD1-CB 3.5Å; D60-A73 PolarHBondContact OD1-N 3.36Å; A73-I76 PolarHBondContact O-N 3.36Å; A73-E77 PolarHBondContact O-N 3.38Å
74F91.7Very high91.9Very high31 Ų3173.3 Ų73.314%0.13636%0.358CS..Hα-helixtrans-61-44.5172.9-178.6-108.5000112.6H52 L56 D72 E77 R78H52-F74 AromaticContact ND1-CD2 3.84Å; L56-F74 HydrophobicContact CD1-CB 3.85Å; L56-F74 HydrophobicContact CD1-CD2 3.78Å; L56-F74 HydrophobicContact CD1-CG 4.31Å; D72-F74 PolarHBondContact O-N 3.39Å; F74-E77 PolarHBondContact O-N 2.77Å; F74-R78 VanDerWaalsContact O-CB 3.23Å; F74-R78 WeakPolarHBondContact O-CB 3.23Å; F74-R78 PolarHBondContact O-N 3.11Å
75Y90Very high91.8Very high136 Ų13669.1 Ų69.153%0.53334%0.34SS..Hα-helixtrans-69.1-35.9176.7-71.2-74.4000111.5D72 R78 N79D72-Y75 HydrophobicContact CB-CD2 4.02Å; D72-Y75 WeakPolarHBondContact O-CA 3.18Å; D72-Y75 WeakPolarHBondContact O-CB 3.45Å; D72-Y75 PolarHBondContact O-N 2.9Å; Y75-R78 PolarHBondContact O-N 3.35Å; Y75-N79 WeakPolarHBondContact O-CB 3.23Å; Y75-N79 PolarHBondContact O-N 3.29Å
76I90.9Very high91.7Very high77 Ų7762.5 Ų62.540%0.39531%0.312SS..Hα-helixtrans-61.4-49.3174.7-61.7175.6000110.5F63 I70 P71 D72 A73 R78 N79F63-I76 HydrophobicContact CD2-CD1 4.47Å; F63-I76 HydrophobicContact CE2-CD1 4.5Å; I70-I76 HydrophobicContact CD1-CD1 4.16Å; P71-I76 HydrophobicContact CB-CG1 4.36Å; P71-I76 WeakPolarHBondContact O-CD1 3.47Å; D72-I76 PolarHBondContact O-N 3.07Å; D72-I76 VanDerWaalsContact O-N 3.09Å; A73-I76 PolarHBondContact O-N 3.36Å; I76-R78 VanDerWaalsContact C-N 3.33Å; I76-R78 PolarHBondContact O-N 2.82Å; I76-N79 PolarHBondContact O-N 3.25Å
77E89.9Confident91.5Very high35 Ų3556.2 Ų56.216%0.16428%0.284CS..Hα-helixtrans-61.2-42.8177.3-172.5178.4-161.400111.2T8 S11 N12 H51 A73 F74T8-E77 WeakPolarHBondContact CA-OE1 3.43Å; T8-E77 PolarHBondContact OG1-OE1 3.18Å; S11-E77 VanDerWaalsContact CB-CD 3.44Å; S11-E77 WeakPolarHBondContact CB-OE2 3.47Å; S11-E77 VanDerWaalsContact OG-CD 3.29Å; S11-E77 PolarHBondContact OG-OE2 3.01Å; N12-E77 PolarHBondContact OD1-O 3.08Å; H51-E77 IonicContact CD2-OE2 3.43Å; H51-E77 IonicContact CE1-OE2 4Å; H51-E77 IonicContact NE2-OE1 3.84Å; H51-E77 IonicContact NE2-OE2 3.49Å; H51-E77 PolarHBondContact NE2-OE2 2.83Å; A73-E77 PolarHBondContact O-N 3.38Å; F74-E77 PolarHBondContact O-N 2.77Å
78R88.2Confident91.3Very high44 Ų4450.1 Ų50.117%0.16626%0.261CS..Hα-helixtrans-70.1-33.9-178.9-177.8165.3-170-177.9-2.1114.1S11 H13 F74 Y75 I76 A80 R100 D339S11-R78 WeakPolarHBondContact O-CB 3.28Å; S11-R78 WeakPolarHBondContact O-CG 3.4Å; H13-R78 VanDerWaalsContact CD2-CZ 3.45Å; H13-R78 PolarHBondContact CD2-NE 2.67Å; H13-R78 PolarHBondContact CD2-NH2 2.8Å; H13-R78 PolarHBondContact NE2-NH2 2.86Å; F74-R78 VanDerWaalsContact O-CB 3.23Å; F74-R78 WeakPolarHBondContact O-CB 3.23Å; F74-R78 PolarHBondContact O-N 3.11Å; Y75-R78 PolarHBondContact O-N 3.35Å; I76-R78 VanDerWaalsContact C-N 3.33Å; I76-R78 PolarHBondContact O-N 2.82Å; R78-A80 PolarHBondContact O-N 3.45Å; R78-R100 PolarHBondContact O-NH1 2.96Å; R78-R100 PolarHBondContact O-NH2 3.21Å; R78-D339 IonicContact CZ-OD1 3.33Å; R78-D339 IonicContact NE-OD1 2.78Å; R78-D339 PolarHBondContact NE-OD1 2.95Å; R78-D339 PolarHBondContact NH2-O 2.83Å; R78-D339 IonicContact NH2-OD1 3.01Å; R78-D339 PolarHBondContact NH2-OD1 3.42Å
79N86.8Confident91.2Very high87 Ų8748.4 Ų48.447%0.46525%0.25SS..THydrogen-bonded Turntrans-82.97.3-176.7-16539000113.3Y75 I76 S81 R335Y75-N79 WeakPolarHBondContact O-CB 3.23Å; Y75-N79 PolarHBondContact O-N 3.29Å; I76-N79 PolarHBondContact O-N 3.25Å; N79-S81 PolarHBondContact O-N 3.47Å; N79-R335 PolarHBondContact O-NH2 2.88Å; N79-R335 VanDerWaalsContact OD1-CZ 3.3Å; N79-R335 PolarHBondContact OD1-NH1 2.85Å; N79-R335 PolarHBondContact OD1-NH2 3.08Å
80A87Confident91Very high29 Ų2946.1 Ų46.124%0.2424%0.242CC..  trans-62.2122.1174.600000111.4R78 L82 R100R78-A80 PolarHBondContact O-N 3.45Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.16Å; A80-R100 PolarHBondContact O-NH1 3.05Å
81S87.5Confident90.8Very high31 Ų3143.7 Ų43.722%0.21723%0.23CC..SBendtrans-65.5-36177.6-59.70000112.5N79 R100N79-S81 PolarHBondContact O-N 3.47Å; S81-R100 WeakPolarHBondContact O-CB 3.45Å
82L89.4Confident90.7Very high28 Ų2840.4 Ų40.415%0.14721%0.208CC..  trans-137.4150.1174.2-67.7-179.3000110.9A80 F84 R100 V102 W321 I325A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.16Å; L82-F84 HydrophobicContact CD1-CZ 4.28Å; L82-R100 CarbonylContact C-O 3.5Å; L82-R100 WeakPolarHBondContact CA-O 3.37Å; L82-R100 HydrophobicContact CD2-CB 4.38Å; L82-V102 HydrophobicContact CD2-CG2 4.11Å; L82-W321 HydrophobicContact CD1-CB 3.75Å; L82-W321 HydrophobicContact CD1-CD2 4.37Å; L82-W321 HydrophobicContact CD1-CE3 4.02Å; L82-W321 HydrophobicContact CD1-CG 4.31Å; L82-W321 HydrophobicContact CD2-CE3 4.2Å; L82-I325 HydrophobicContact CD1-CD1 3.97Å; L82-I325 HydrophobicContact CD1-CG1 3.38Å; L82-I325 HydrophobicContact CD2-CD1 4.44Å; L82-I325 HydrophobicContact CG-CD1 3.84Å; L82-I325 HydrophobicContact CG-CG1 3.72Å
83N89.5Confident90.7Very high20 Ų2038.1 Ų38.111%0.10720%0.195CC..EExtended strand (participates in β ladder)trans-122.4105.3176.1-67.8-71.2000109.7N12 R100 V102N12-N83 PolarHBondContact ND2-ND2 3.5Å; N12-N83 PolarHBondContact ND2-OD1 3.25Å; N12-N83 VanDerWaalsContact ND2-OD1 3.14Å; N12-N83 PolarHBondContact OD1-ND2 2.96Å; N83-R100 PolarHBondContact N-O 3.48Å; N83-V102 PolarHBondContact O-N 2.86Å
84F93.1Very high90.6Very high61 Ų6141.9 Ų41.927%0.26822%0.219SC..EExtended strand (participates in β ladder)trans-80.4122.4175-69.9-63.2000111.4L82 V102 V104 A318 W321 V322L82-F84 HydrophobicContact CD1-CZ 4.28Å; F84-V102 CarbonylContact C-O 3.38Å; F84-V102 WeakPolarHBondContact CA-O 3.42Å; F84-V102 HydrophobicContact CD1-CB 3.83Å; F84-V102 HydrophobicContact CD1-CG1 3.99Å; F84-V102 HydrophobicContact CE1-CB 3.95Å; F84-V102 HydrophobicContact CE1-CG1 3.89Å; F84-V102 HydrophobicContact CE1-CG2 4.43Å; F84-V104 HydrophobicContact CB-CG2 3.84Å; F84-V104 HydrophobicContact CD1-CG1 3.59Å; F84-V104 HydrophobicContact CD1-CG2 4.08Å; F84-V104 HydrophobicContact CE1-CG1 4.09Å; F84-V104 HydrophobicContact CG-CG2 4.34Å; F84-A318 HydrophobicContact CE1-CB 4.33Å; F84-W321 HydrophobicContact CE1-CB 3.97Å; F84-W321 HydrophobicContact CZ-CB 3.94Å; F84-V322 HydrophobicContact CE2-CG2 3.84Å; F84-V322 HydrophobicContact CZ-CG2 3.79Å
85I93.5Very high90.7Very high8 Ų842 Ų424%0.04122%0.218CC..EExtended strand (participates in β ladder)trans-108.8121.7-178.8-53.5-57.2000109.7M4 T87 V101 V102 F103 V104 G105M4-I85 HydrophobicContact CB-CD1 3.85Å; M4-I85 HydrophobicContact CB-CG1 4.16Å; M4-I85 HydrophobicContact CB-CG2 3.97Å; M4-I85 HydrophobicContact CG-CD1 4.1Å; I85-T87 PolarHBondContact O-N 3.02Å; I85-V101 HydrophobicContact CD1-CG1 4.46Å; I85-V101 HydrophobicContact CG1-CG1 3.64Å; I85-V102 PolarHBondContact N-O 2.92Å; I85-F103 HydrophobicContact CB-CD1 3.8Å; I85-F103 HydrophobicContact CB-CE1 4.14Å; I85-F103 HydrophobicContact CB-CG 4.49Å; I85-F103 HydrophobicContact CG1-CD1 4.48Å; I85-F103 HydrophobicContact CG1-CE1 4.47Å; I85-F103 HydrophobicContact CG2-CD1 3.78Å; I85-F103 HydrophobicContact CG2-CE1 3.86Å; I85-V104 CarbonylContact O-C 3.57Å; I85-V104 PolarHBondContact O-N 3.31Å; I85-G105 PolarHBondContact O-N 3.43Å
86N92.5Very high90.9Very high20 Ų2037.5 Ų37.511%0.10721%0.206CC..SBendtrans-86.946.3-177-178.741.6000112.1M1 T2 L235M1-N86 HydrophobicContact CB-CB 3.41Å; M1-N86 VanDerWaalsContact CB-CB 3.41Å; M1-N86 PolarHBondContact O-ND2 2.91Å; M1-N86 HydrophobicContact SD-CB 4.49Å; T2-N86 PolarHBondContact O-N 3.34Å; N86-L235 WeakPolarHBondContact O-CD2 3.47Å
87T92.2Very high91Very high1 Ų138.4 Ų38.41%0.00621%0.207CC..SBendtrans-139.7130.2174.5-58.40000107.8H3 I85 F91 D92 F103 G105H3-T87 VanDerWaalsContact CA-OG1 3.25Å; H3-T87 WeakPolarHBondContact CA-OG1 3.48Å; H3-T87 WeakPolarHBondContact CB-OG1 3.3Å; I85-T87 PolarHBondContact O-N 3.02Å; T87-F91 HydrophobicContact CG2-CB 4.39Å; T87-F91 HydrophobicContact CG2-CD1 3.51Å; T87-F91 HydrophobicContact CG2-CE1 4.28Å; T87-F91 HydrophobicContact CG2-CG 4.37Å; T87-D92 HydrophobicContact CG2-CB 4.13Å; T87-F103 VanDerWaalsContact O-CD1 3.23Å; T87-F103 WeakPolarHBondContact O-CD1 3.27Å; T87-G105 VanDerWaalsContact N-CA 3.32Å
88P92Very high91.1Very high7 Ų738.5 Ų38.55%0.04521%0.208CC..  trans-59.3139.4175.6-20.429.7000109.9L90 F91 D92 V239 L307P88-L90 VanDerWaalsContact C-N 3.26Å; P88-L90 PolarHBondContact O-N 3.32Å; P88-F91 HydrophobicContact CB-CB 3.89Å; P88-F91 HydrophobicContact CG-CB 4.04Å; P88-F91 WeakPolarHBondContact O-CB 3.36Å; P88-F91 PolarHBondContact O-N 2.62Å; P88-D92 PolarHBondContact O-N 3.49Å; P88-V239 HydrophobicContact CG-CG1 3.99Å; P88-V239 HydrophobicContact CG-CG2 4.48Å; P88-L307 HydrophobicContact CB-CD2 3.39Å; P88-L307 HydrophobicContact CG-CD2 3.84Å
89P90.3Very high91.3Very high62 Ų6240.5 Ų40.540%0.40323%0.227SC..THydrogen-bonded Turntrans-62.9-35.2-17424.4-32.2000112.1F91 F103P89-F91 VanDerWaalsContact C-N 3.29Å; P89-F91 PolarHBondContact O-N 2.81Å; P89-F103 HydrophobicContact CB-CB 4.28Å; P89-F103 HydrophobicContact CB-CD1 4.32Å; P89-F103 HydrophobicContact CB-CD2 3.99Å; P89-F103 HydrophobicContact CB-CE2 4.4Å; P89-F103 HydrophobicContact CB-CG 3.93Å; P89-F103 HydrophobicContact CG-CB 4.23Å; P89-F103 HydrophobicContact CG-CG 4.42Å
90L90.9Very high91.4Very high98 Ų9836.4 Ų36.451%0.51321%0.205SC..THydrogen-bonded Turntrans-81.4-6.6176.6-61-179.6000113.3P88 L306P88-L90 VanDerWaalsContact C-N 3.26Å; P88-L90 PolarHBondContact O-N 3.32Å; L90-L306 HydrophobicContact CD1-CB 4.06Å; L90-L306 HydrophobicContact CD1-CD2 4.37Å
91F90.8Very high91.7Very high0 Ų035.3 Ų35.30%020%0.195CC..THydrogen-bonded Turntrans-81.7-43174.5172.4-87.4000113T87 P88 P89 L235 V238 V239 M242 R263 R267 F303 L307T87-F91 HydrophobicContact CG2-CB 4.39Å; T87-F91 HydrophobicContact CG2-CD1 3.51Å; T87-F91 HydrophobicContact CG2-CE1 4.28Å; T87-F91 HydrophobicContact CG2-CG 4.37Å; P88-F91 HydrophobicContact CB-CB 3.89Å; P88-F91 HydrophobicContact CG-CB 4.04Å; P88-F91 WeakPolarHBondContact O-CB 3.36Å; P88-F91 PolarHBondContact O-N 2.62Å; P89-F91 VanDerWaalsContact C-N 3.29Å; P89-F91 PolarHBondContact O-N 2.81Å; F91-L235 HydrophobicContact CE1-CD1 4.11Å; F91-V238 HydrophobicContact CE2-CG1 3.56Å; F91-V238 HydrophobicContact CZ-CG1 3.52Å; F91-V239 HydrophobicContact CD2-CG2 4.43Å; F91-V239 HydrophobicContact CG-CG2 4.49Å; F91-M242 HydrophobicContact CD2-CG 4.26Å; F91-M242 HydrophobicContact CE2-CG 4.03Å; F91-R263 HydrophobicContact CE1-CB 4.18Å; F91-R263 HydrophobicContact CZ-CB 4.05Å; F91-R267 PolarHBondContact O-NH1 2.88Å; F91-F303 VanDerWaalsContact CA-CZ 3.43Å; F91-F303 HydrophobicContact CB-CE1 4.01Å; F91-F303 HydrophobicContact CB-CZ 3.8Å; F91-F303 AromaticContact CD2-CE1 3.52Å; F91-F303 HydrophobicContact CD2-CE1 3.52Å; F91-F303 AromaticContact CD2-CZ 3.41Å; F91-F303 HydrophobicContact CD2-CZ 3.41Å; F91-F303 VanDerWaalsContact CD2-CZ 3.41Å; F91-F303 HydrophobicContact CE2-CE1 4.46Å; F91-F303 HydrophobicContact CE2-CZ 4.28Å; F91-F303 HydrophobicContact CG-CE1 4.22Å; F91-F303 AromaticContact CG-CZ 3.95Å; F91-F303 HydrophobicContact CG-CZ 3.95Å; F91-L307 HydrophobicContact CB-CD2 4.47Å
92D90.7Very high91.9Very high10 Ų1034 Ų345%0.05319%0.186CC..SBendtrans-71.1172.1178-150.6-16.3000111.2T87 P88 R263 R267T87-D92 HydrophobicContact CG2-CB 4.13Å; P88-D92 PolarHBondContact O-N 3.49Å; D92-R263 IonicContact OD1-CZ 3.21Å; D92-R263 IonicContact OD1-NE 3.35Å; D92-R263 PolarHBondContact OD1-NE 3.03Å; D92-R263 IonicContact OD1-NH2 2.74Å; D92-R263 PolarHBondContact OD1-NH2 3.1Å; D92-R263 IonicContact OD2-NH2 3.94Å; D92-R267 PolarHBondContact O-NH2 3.44Å
93F93.4Very high92.1Very high9 Ų933.4 Ų33.44%0.03918%0.183CC..PPolyproline II helixtrans-67.8146.7167.1-66.5-62.3000110.3P22 T29 D30 R95 V262 R263 A266P22-F93 HydrophobicContact CG-CD2 3.62Å; P22-F93 HydrophobicContact CG-CE2 3.91Å; T29-F93 HydrophobicContact CG2-CZ 4.06Å; D30-F93 HydrophobicContact CB-CB 3.97Å; D30-F93 HydrophobicContact CB-CD1 3.9Å; D30-F93 HydrophobicContact CB-CG 3.94Å; D30-F93 VanDerWaalsContact CG-CD1 3.41Å; F93-R95 PolarHBondContact O-N 2.75Å; F93-V262 HydrophobicContact CZ-CG1 4.36Å; F93-R263 HydrophobicContact CD2-CG 4.25Å; F93-R263 HydrophobicContact CE2-CG 3.87Å; F93-R263 HydrophobicContact CZ-CG 4.19Å; F93-A266 HydrophobicContact CE1-CB 4.06Å; F93-A266 HydrophobicContact CZ-CB 4.11Å
94P93.2Very high92.4Very high85 Ų8532.5 Ų32.555%0.55218%0.178SC*.PPolyproline II helixtrans-53.9131.5179.5-25.734.9000111.8D30D30-P94 WeakPolarHBondContact OD2-CD 3.43Å
95R93.4Very high92.3Very high33 Ų3329.7 Ų29.713%0.12517%0.166CC..  trans-146.9149.118066.5175.6-56.7157.110.4113.2M4 P15 S16 I21 F93 F97M4-R95 PolarHBondContact O-NH1 2.74Å; P15-R95 PolarHBondContact O-NH2 2.75Å; S16-R95 VanDerWaalsContact CB-NH2 3.33Å; S16-R95 PolarHBondContact OG-NH2 3.09Å; I21-R95 HydrophobicContact CD1-CB 3.56Å; I21-R95 HydrophobicContact CG1-CB 4.31Å; F93-R95 PolarHBondContact O-N 2.75Å; R95-F97 WeakPolarHBondContact O-CD1 3.4Å
96P94.4Very high92.2Very high43 Ų4329.7 Ų29.728%0.27917%0.167SC..  trans-71.8151.8162.431.1-37.3000111.1P15 P17 Y20P15-P96 HydrophobicContact CB-CB 3.88Å; P15-P96 HydrophobicContact CB-CG 3.66Å; P15-P96 HydrophobicContact CG-CB 4.37Å; P15-P96 VanDerWaalsContact O-O 3.08Å; P17-P96 HydrophobicContact CG-CG 4.37Å; Y20-P96 WeakPolarHBondContact OH-CD 3.14Å; Y20-P96 WeakPolarHBondContact OH-CG 3.41Å
97F92.6Very high92.2Very high96 Ų9631.6 Ų31.642%0.42118%0.177SC..  trans-153.2158.117453.9-89.8000110.9M4 S14 R95 V101 F103M4-F97 HydrophobicContact SD-CB 4.48Å; S14-F97 VanDerWaalsContact OG-CA 3.29Å; S14-F97 WeakPolarHBondContact OG-CA 3.41Å; R95-F97 WeakPolarHBondContact O-CD1 3.4Å; F97-V101 HydrophobicContact CB-CB 3.99Å; F97-V101 HydrophobicContact CB-CG1 4.1Å; F97-V101 HydrophobicContact CB-CG2 4.14Å; F97-V101 HydrophobicContact CD2-CB 3.96Å; F97-V101 HydrophobicContact CD2-CG1 4.33Å; F97-V101 HydrophobicContact CG-CB 4.32Å; F97-V101 HydrophobicContact CG-CG1 4.38Å; F97-F103 AromaticContact CD1-CE2 3.62Å; F97-F103 HydrophobicContact CD1-CE2 3.62Å; F97-F103 AromaticContact CD1-CZ 4Å; F97-F103 HydrophobicContact CD1-CZ 4Å; F97-F103 HydrophobicContact CD2-CE2 4.06Å; F97-F103 AromaticContact CE1-CE2 3.59Å; F97-F103 HydrophobicContact CE1-CE2 3.59Å; F97-F103 HydrophobicContact CE1-CZ 4.28Å; F97-F103 HydrophobicContact CE2-CE2 4.02Å; F97-F103 AromaticContact CG-CE2 3.86Å; F97-F103 HydrophobicContact CG-CE2 3.86Å; F97-F103 HydrophobicContact CG-CZ 4.34Å; F97-F103 HydrophobicContact CZ-CD2 4.37Å; F97-F103 AromaticContact CZ-CE2 3.79Å; F97-F103 HydrophobicContact CZ-CE2 3.79Å
98M92.1Very high92.1Very high36 Ų3634 Ų3418%0.17719%0.188CC..  trans-77154.6176.1-77.3-73.2170.200111.9H13 S14 P15 R100 V101 S336H13-M98 VanDerWaalsContact O-CE 3.29Å; H13-M98 WeakPolarHBondContact O-CE 3.22Å; S14-M98 PolarHBondContact OG-N 2.86Å; S14-M98 VanDerWaalsContact OG-N 3.09Å; P15-M98 HydrophobicContact CG-CE 4.38Å; M98-R100 HydrophobicContact CB-CG 4.14Å; M98-R100 PolarHBondContact O-N 2.89Å; M98-V101 WeakPolarHBondContact O-CB 3.34Å; M98-V101 WeakPolarHBondContact O-CG2 3.48Å; M98-V101 PolarHBondContact O-N 2.82Å; M98-S336 VanDerWaalsContact CE-OG 3.29Å; M98-S336 WeakPolarHBondContact CE-OG 3.5Å
99P92Very high92Very high87 Ų8734.5 Ų34.557%0.56519%0.191SC*.THydrogen-bonded Turntrans-56.6-23.5-179.4-26.735.2000115V101 A334P99-V101 PolarHBondContact O-N 3.45Å; P99-A334 HydrophobicContact CB-CB 4.19Å
100R89.6Confident91.8Very high0 Ų035.3 Ų35.30%019%0.186CC..THydrogen-bonded Turntrans-75.4-3174.465.7170.2176.2179.5-16115.2N12 R78 A80 S81 L82 N83 M98 A334N12-R100 PolarHBondContact O-NE 3.46Å; N12-R100 PolarHBondContact O-NH2 3.2Å; N12-R100 PolarHBondContact OD1-NH1 2.87Å; N12-R100 PolarHBondContact OD1-NH2 3.3Å; R78-R100 PolarHBondContact O-NH1 2.96Å; R78-R100 PolarHBondContact O-NH2 3.21Å; A80-R100 PolarHBondContact O-NH1 3.05Å; S81-R100 WeakPolarHBondContact O-CB 3.45Å; L82-R100 CarbonylContact C-O 3.5Å; L82-R100 WeakPolarHBondContact CA-O 3.37Å; L82-R100 HydrophobicContact CD2-CB 4.38Å; N83-R100 PolarHBondContact N-O 3.48Å; M98-R100 HydrophobicContact CB-CG 4.14Å; M98-R100 PolarHBondContact O-N 2.89Å; R100-A334 HydrophobicContact CB-CB 4.11Å
101V92.2Very high91.5Very high6 Ų637 Ų374%0.03619%0.189CC..EExtended strand (participates in β ladder)trans-92.9118.4178.61790000108.3M4 I85 F97 M98 P99 F103M4-V101 HydrophobicContact CE-CG1 4.37Å; M4-V101 HydrophobicContact CE-CG2 3.8Å; M4-V101 HydrophobicContact SD-CG1 4.03Å; M4-V101 HydrophobicContact SD-CG2 4.5Å; I85-V101 HydrophobicContact CD1-CG1 4.46Å; I85-V101 HydrophobicContact CG1-CG1 3.64Å; F97-V101 HydrophobicContact CB-CB 3.99Å; F97-V101 HydrophobicContact CB-CG1 4.1Å; F97-V101 HydrophobicContact CB-CG2 4.14Å; F97-V101 HydrophobicContact CD2-CB 3.96Å; F97-V101 HydrophobicContact CD2-CG1 4.33Å; F97-V101 HydrophobicContact CG-CB 4.32Å; F97-V101 HydrophobicContact CG-CG1 4.38Å; M98-V101 WeakPolarHBondContact O-CB 3.34Å; M98-V101 WeakPolarHBondContact O-CG2 3.48Å; M98-V101 PolarHBondContact O-N 2.82Å; P99-V101 PolarHBondContact O-N 3.45Å; V101-F103 HydrophobicContact CG1-CE2 4.06Å; V101-F103 HydrophobicContact CG1-CZ 4.21Å
102V92.6Very high90.7Very high4 Ų438.4 Ų38.42%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-117.4115-178.1-174.80000108.4L82 N83 F84 I85 V104 W321L82-V102 HydrophobicContact CD2-CG2 4.11Å; N83-V102 PolarHBondContact O-N 2.86Å; F84-V102 CarbonylContact C-O 3.38Å; F84-V102 WeakPolarHBondContact CA-O 3.42Å; F84-V102 HydrophobicContact CD1-CB 3.83Å; F84-V102 HydrophobicContact CD1-CG1 3.99Å; F84-V102 HydrophobicContact CE1-CB 3.95Å; F84-V102 HydrophobicContact CE1-CG1 3.89Å; F84-V102 HydrophobicContact CE1-CG2 4.43Å; I85-V102 PolarHBondContact N-O 2.92Å; V102-V104 HydrophobicContact CG1-CG1 3.99Å; V102-W321 HydrophobicContact CG1-CG 4.06Å; V102-W321 HydrophobicContact CG2-CD2 4Å; V102-W321 HydrophobicContact CG2-CG 3.91Å
103F93.6Very high89.8Confident16 Ų1640.7 Ų40.77%0.0721%0.211CC..EExtended strand (participates in β ladder)trans-77.7129.9172.9-63.1-88.4000109.4I85 T87 P89 F97 V101 H317I85-F103 HydrophobicContact CB-CD1 3.8Å; I85-F103 HydrophobicContact CB-CE1 4.14Å; I85-F103 HydrophobicContact CB-CG 4.49Å; I85-F103 HydrophobicContact CG1-CD1 4.48Å; I85-F103 HydrophobicContact CG1-CE1 4.47Å; I85-F103 HydrophobicContact CG2-CD1 3.78Å; I85-F103 HydrophobicContact CG2-CE1 3.86Å; T87-F103 VanDerWaalsContact O-CD1 3.23Å; T87-F103 WeakPolarHBondContact O-CD1 3.27Å; P89-F103 HydrophobicContact CB-CB 4.28Å; P89-F103 HydrophobicContact CB-CD1 4.32Å; P89-F103 HydrophobicContact CB-CD2 3.99Å; P89-F103 HydrophobicContact CB-CE2 4.4Å; P89-F103 HydrophobicContact CB-CG 3.93Å; P89-F103 HydrophobicContact CG-CB 4.23Å; P89-F103 HydrophobicContact CG-CG 4.42Å; F97-F103 AromaticContact CD1-CE2 3.62Å; F97-F103 HydrophobicContact CD1-CE2 3.62Å; F97-F103 AromaticContact CD1-CZ 4Å; F97-F103 HydrophobicContact CD1-CZ 4Å; F97-F103 HydrophobicContact CD2-CE2 4.06Å; F97-F103 AromaticContact CE1-CE2 3.59Å; F97-F103 HydrophobicContact CE1-CE2 3.59Å; F97-F103 HydrophobicContact CE1-CZ 4.28Å; F97-F103 HydrophobicContact CE2-CE2 4.02Å; F97-F103 AromaticContact CG-CE2 3.86Å; F97-F103 HydrophobicContact CG-CE2 3.86Å; F97-F103 HydrophobicContact CG-CZ 4.34Å; F97-F103 HydrophobicContact CZ-CD2 4.37Å; F97-F103 AromaticContact CZ-CE2 3.79Å; F97-F103 HydrophobicContact CZ-CE2 3.79Å; V101-F103 HydrophobicContact CG1-CE2 4.06Å; V101-F103 HydrophobicContact CG1-CZ 4.21Å; F103-H317 PolarHBondContact O-ND1 3.16Å
104V94.5Very high88.5Confident1 Ų142.4 Ų42.41%0.00622%0.223CC..  trans-137.926-179.9-640000110.2F84 I85 V102 M107 E314 A318F84-V104 HydrophobicContact CB-CG2 3.84Å; F84-V104 HydrophobicContact CD1-CG1 3.59Å; F84-V104 HydrophobicContact CD1-CG2 4.08Å; F84-V104 HydrophobicContact CE1-CG1 4.09Å; F84-V104 HydrophobicContact CG-CG2 4.34Å; I85-V104 CarbonylContact O-C 3.57Å; I85-V104 PolarHBondContact O-N 3.31Å; V102-V104 HydrophobicContact CG1-CG1 3.99Å; V104-M107 HydrophobicContact CB-CE 3.86Å; V104-M107 HydrophobicContact CB-CG 4.15Å; V104-M107 HydrophobicContact CB-SD 3.83Å; V104-M107 HydrophobicContact CG2-CE 3.66Å; V104-M107 HydrophobicContact CG2-SD 4.27Å; V104-M107 WeakPolarHBondContact O-CE 3.48Å; V104-M107 VanDerWaalsContact O-CG 3.24Å; V104-M107 WeakPolarHBondContact O-CG 3.26Å; V104-E314 WeakPolarHBondContact CA-OE2 3.25Å; V104-A318 HydrophobicContact CB-CB 4.43Å; V104-A318 HydrophobicContact CG1-CB 3.74Å
105G92.6Very high86.9Confident2 Ų240.8 Ų40.82%0.02121%0.21CC..THydrogen-bonded Turntrans-73.2140.2178.500000111.2I85 T87 E314I85-G105 PolarHBondContact O-N 3.43Å; T87-G105 VanDerWaalsContact N-CA 3.32Å; G105-E314 WeakPolarHBondContact O-CG 3.48Å
106G90.9Very high85.2Confident7 Ų745 Ų457%0.07223%0.231CC..THydrogen-bonded Turntrans88.24.9-17600000114.2H108 C109G106-H108 PolarHBondContact O-N 3.08Å; G106-C109 VanDerWaalsContact O-CB 3.28Å; G106-C109 WeakPolarHBondContact O-CB 3.25Å; G106-C109 PolarHBondContact O-N 3.03Å
107M91.6Very high83.5Confident61 Ų6148.9 Ų48.930%0.324%0.243SC..THydrogen-bonded Turntrans-51.6-28.1170.4-82.2-172.4-56.500114.3M1 V104 E314 A318M1-M107 HydrophobicContact SD-CE 4.36Å; V104-M107 HydrophobicContact CB-CE 3.86Å; V104-M107 HydrophobicContact CB-CG 4.15Å; V104-M107 HydrophobicContact CB-SD 3.83Å; V104-M107 HydrophobicContact CG2-CE 3.66Å; V104-M107 HydrophobicContact CG2-SD 4.27Å; V104-M107 WeakPolarHBondContact O-CE 3.48Å; V104-M107 VanDerWaalsContact O-CG 3.24Å; V104-M107 WeakPolarHBondContact O-CG 3.26Å; M107-E314 HydrophobicContact CB-CB 4.3Å; M107-E314 HydrophobicContact CG-CB 3.46Å; M107-E314 VanDerWaalsContact CG-CB 3.46Å; M107-A318 HydrophobicContact SD-CB 3.77Å
108H90Very high82Confident52 Ų5245.3 Ų45.324%0.24123%0.23CC..THydrogen-bonded Turntrans-86.1-13.2179.361-82.6000113.1G106 Q207 N236 E240G106-H108 PolarHBondContact O-N 3.08Å; H108-Q207 PolarHBondContact O-NE2 3.47Å; H108-Q207 PolarHBondContact O-OE1 3.49Å; H108-N236 PolarHBondContact CE1-OD1 2.74Å; H108-E240 IonicContact CD2-OE1 3.23Å; H108-E240 PolarHBondContact CD2-OE1 3.38Å; H108-E240 IonicContact NE2-OE1 2.69Å
109C91.1Very high80.4Confident16 Ų1647.9 Ų47.911%0.10824%0.241CC..  trans-74.5131.2179.9-61.20000109.8G106 W243G106-C109 VanDerWaalsContact O-CB 3.28Å; G106-C109 WeakPolarHBondContact O-CB 3.25Å; G106-C109 PolarHBondContact O-N 3.03Å; C109-W243 HydrophobicContact CB-CB 4.14Å; C109-W243 HydrophobicContact CB-CD2 3.6Å; C109-W243 HydrophobicContact CB-CE3 4.12Å; C109-W243 HydrophobicContact CB-CG 3.58Å
110R86.5Confident78.7Confident79 Ų7950.9 Ų50.930%0.29825%0.251SS..  trans-146.9155.4-177.455.1168.9-175.379.6-3.1110.3Q207 D208 H244R110-Q207 PolarHBondContact O-OE1 3.14Å; R110-D208 IonicContact CZ-OD1 3.14Å; R110-D208 IonicContact CZ-OD2 3.35Å; R110-D208 IonicContact NH1-OD1 3.6Å; R110-D208 PolarHBondContact NH1-OD1 3.33Å; R110-D208 IonicContact NH1-OD2 3.57Å; R110-D208 IonicContact NH2-OD1 3.75Å; R110-D208 IonicContact NH2-OD2 3.39Å; R110-D208 PolarHBondContact NH2-OD2 3.07Å; R110-H244 PolarHBondContact O-CE1 2.79Å; R110-H244 VanDerWaalsContact O-CE1 3.25Å
111K83.4Confident77.3Confident134 Ų13456.4 Ų56.458%0.58328%0.281SS*.PPolyproline II helixtrans-64156.2164.2-60.4-174.9178.9-179.60110.5Q113 D211 W243K111-Q113 PolarHBondContact O-N 3.12Å; K111-Q113 PolarHBondContact O-NE2 3.44Å; K111-Q113 VanDerWaalsContact O-NE2 3.12Å; K111-D211 VanDerWaalsContact CA-OD2 3.29Å; K111-D211 WeakPolarHBondContact CA-OD2 3.32Å; K111-D211 WeakPolarHBondContact CB-OD2 2.97Å; K111-W243 HydrophobicContact CG-CH2 4.01Å; K111-W243 HydrophobicContact CG-CZ3 4.42Å
112A75Confident75.8Confident30 Ų3059.3 Ų59.325%0.24831%0.311CS..PPolyproline II helixtrans-50.1129.5174.500000109.6D208 D211A112-D208 WeakPolarHBondContact CA-OD1 3.19Å; A112-D211 HydrophobicContact CB-CB 3.95Å; A112-D211 PolarHBondContact N-OD2 3.28Å
113Q70.6Confident74.5Confident57 Ų5765.4 Ų65.427%0.26634%0.34SS..PPolyproline II helixtrans-89.2143.5178.1-68.2-57.6-61.900110K111 K117 V118 D208K111-Q113 PolarHBondContact O-N 3.12Å; K111-Q113 PolarHBondContact O-NE2 3.44Å; K111-Q113 VanDerWaalsContact O-NE2 3.12Å; Q113-K117 HydrophobicContact CB-CB 4.32Å; Q113-V118 HydrophobicContact CB-CG2 4Å; Q113-D208 PolarHBondContact N-OD1 2.94Å; Q113-D208 VanDerWaalsContact N-OD1 3.13Å
114P65.8Low73Confident46 Ų4667.9 Ų67.930%0.29935%0.35SS..PPolyproline II helixtrans-54.9144.8162.4-20.832.6000110.4E116 K117P114-E116 WeakPolarHBondContact CB-OE2 3.36Å; P114-E116 PolarHBondContact O-N 3.41Å; P114-E116 VanDerWaalsContact O-N 3.09Å; P114-K117 PolarHBondContact O-N 3.28Å
115L59.7Low72.2Confident51 Ų5171.5 Ų71.527%0.26737%0.374SS..Hα-helixtrans-49.5-37.6-179.5-85.6164.4000113K117 V118 E119 F133L115-K117 VanDerWaalsContact C-N 3.29Å; L115-K117 PolarHBondContact O-N 3.47Å; L115-V118 PolarHBondContact O-N 2.85Å; L115-E119 PolarHBondContact O-N 3.12Å; L115-F133 HydrophobicContact CD2-CB 3.62Å; L115-F133 HydrophobicContact CD2-CD1 3.96Å; L115-F133 HydrophobicContact CD2-CD2 3.29Å; L115-F133 HydrophobicContact CD2-CE1 4.45Å; L115-F133 HydrophobicContact CD2-CE2 3.85Å; L115-F133 HydrophobicContact CD2-CG 3.35Å; L115-F133 HydrophobicContact CD2-CZ 4.4Å; L115-F133 HydrophobicContact CG-CG 4.36Å
116E57.8Low71.3Confident120 Ų12074.4 Ų74.456%0.56139%0.386SS*.Hα-helixtrans-63.7-31.8-178.4-56.278.4-168.700112.4P114P114-E116 WeakPolarHBondContact CB-OE2 3.36Å; P114-E116 PolarHBondContact O-N 3.41Å; P114-E116 VanDerWaalsContact O-N 3.09Å
117K60Low70.7Confident125 Ų12580.1 Ų80.154%0.54341%0.411SS..Hα-helixtrans-79.9-27.7177-76.4-172.7175.4-174.90112.7Q113 P114 L115 E119 L120Q113-K117 HydrophobicContact CB-CB 4.32Å; P114-K117 PolarHBondContact O-N 3.28Å; L115-K117 VanDerWaalsContact C-N 3.29Å; L115-K117 PolarHBondContact O-N 3.47Å; K117-E119 VanDerWaalsContact C-N 3.28Å; K117-L120 PolarHBondContact O-N 3.2Å
118V60.3Low70.1Confident22 Ų2282.3 Ų82.313%0.13342%0.421CS..Hα-helixtrans-69.3-31.9178.4-177.80000110.8Q113 L115 L120 L121 L129 F133Q113-V118 HydrophobicContact CB-CG2 4Å; L115-V118 PolarHBondContact O-N 2.85Å; V118-L120 PolarHBondContact O-N 2.88Å; V118-L121 PolarHBondContact O-N 3.35Å; V118-L129 HydrophobicContact CG1-CD2 4.41Å; V118-F133 HydrophobicContact CG1-CE2 4.1Å; V118-F133 HydrophobicContact CG1-CZ 4.31Å; V118-F133 HydrophobicContact CG2-CE2 4.5Å; V118-F133 HydrophobicContact CG2-CZ 4.08Å
119E59.6Low69.5Low89 Ų8980.4 Ų80.442%0.41641%0.412SS..Hα-helixtrans-55.4-37.9174.5-170-177.8-173.900112.9L115 K117 L121 G122 F126 L129L115-E119 PolarHBondContact O-N 3.12Å; K117-E119 VanDerWaalsContact C-N 3.28Å; E119-L121 PolarHBondContact O-N 2.98Å; E119-G122 PolarHBondContact O-N 3.09Å; E119-F126 HydrophobicContact CB-CD2 4.03Å; E119-F126 HydrophobicContact CG-CB 4.33Å; E119-F126 HydrophobicContact CG-CD2 3.91Å; E119-F126 WeakPolarHBondContact OE1-CB 3.2Å; E119-F126 WeakPolarHBondContact OE2-CD2 3.37Å; E119-L129 HydrophobicContact CB-CD1 4.42Å
120L56.2Low68.9Low150 Ų15083.4 Ų83.479%0.78542%0.423SS*.THydrogen-bonded Turntrans-61.4-16.6-178-65.7173000113.9K117 V118 G122K117-L120 PolarHBondContact O-N 3.2Å; V118-L120 PolarHBondContact O-N 2.88Å; L120-G122 PolarHBondContact O-N 3.17Å
121L59.4Low68.8Low117 Ų11785.2 Ų85.261%0.61344%0.438SS*.THydrogen-bonded Turntrans-77.6-7.8175-64.8172.6000113.2V118 E119 Q123V118-L121 PolarHBondContact O-N 3.35Å; E119-L121 PolarHBondContact O-N 2.98Å; L121-Q123 HydrophobicContact CB-CG 4.47Å; L121-Q123 PolarHBondContact O-N 3.35Å; L121-Q123 VanDerWaalsContact O-N 3.09Å
122G61.3Low68.8Low66 Ų6681.5 Ų81.568%0.6842%0.42SS*.  trans65.513170.500000115.9E119 L120E119-G122 PolarHBondContact O-N 3.09Å; L120-G122 PolarHBondContact O-N 3.17Å
123Q63.7Low69.1Low133 Ų13381.6 Ų81.662%0.62142%0.415SS*.SBendtrans-77.7-27.1-173.7-68.2-177.64.400113.4L121L121-Q123 HydrophobicContact CB-CG 4.47Å; L121-Q123 PolarHBondContact O-N 3.35Å; L121-Q123 VanDerWaalsContact O-N 3.09Å
124F63.6Low69.7Low67 Ų6783.3 Ų83.329%0.29442%0.424SS..SBendtrans-148.6150.6-175.3-68-80.6000110.4L129F124-L129 HydrophobicContact CB-CD1 4.18Å; F124-L129 HydrophobicContact CB-CD2 3.6Å; F124-L129 HydrophobicContact CB-CG 3.54Å; F124-L129 HydrophobicContact CD2-CD2 3.64Å; F124-L129 HydrophobicContact CG-CD2 3.96Å; F124-L129 HydrophobicContact CG-CG 4.42Å
125P76.4Confident70.9Confident78 Ų7885 Ų8551%0.50643%0.426SS..  trans-58142.1167.5-21.633.2000111.5E127 Q128 L129P125-E127 VanDerWaalsContact C-N 3.32Å; P125-E127 PolarHBondContact O-N 2.91Å; P125-Q128 HydrophobicContact CB-CG 4.37Å; P125-Q128 HydrophobicContact CG-CG 4.42Å; P125-Q128 WeakPolarHBondContact O-CB 3.43Å; P125-Q128 PolarHBondContact O-N 3.06Å; P125-L129 PolarHBondContact O-N 2.96Å
126F74.8Confident72.3Confident62 Ų6282.8 Ų82.827%0.27241%0.414SS..Hα-helixtrans-50.3-46.1-175.1-175.2-106.1000114.1E119 Q128 L129 K130E119-F126 HydrophobicContact CB-CD2 4.03Å; E119-F126 HydrophobicContact CG-CB 4.33Å; E119-F126 HydrophobicContact CG-CD2 3.91Å; E119-F126 WeakPolarHBondContact OE1-CB 3.2Å; E119-F126 WeakPolarHBondContact OE2-CD2 3.37Å; F126-Q128 VanDerWaalsContact C-N 3.3Å; F126-Q128 PolarHBondContact O-N 3.18Å; F126-L129 WeakPolarHBondContact O-CB 3.16Å; F126-L129 PolarHBondContact O-N 3.36Å; F126-L129 VanDerWaalsContact O-N 3.17Å; F126-K130 WeakPolarHBondContact O-CB 3.46Å; F126-K130 PolarHBondContact O-N 3.13Å
127E78.8Confident73.7Confident127 Ų12780.9 Ų80.959%0.59341%0.408SS*.Hα-helixtrans-63.5-34.8179.6-68.1-57139.400112.9P125 L131P125-E127 VanDerWaalsContact C-N 3.32Å; P125-E127 PolarHBondContact O-N 2.91Å; E127-L131 WeakPolarHBondContact O-CB 3.32Å; E127-L131 PolarHBondContact O-N 3.27Å
128Q78.8Confident75.1Confident108 Ų10879.7 Ų79.751%0.50541%0.411SS..Hα-helixtrans-71.3-39.5175.3-64-176.818.200111.1P125 F126 L131 R132P125-Q128 HydrophobicContact CB-CG 4.37Å; P125-Q128 HydrophobicContact CG-CG 4.42Å; P125-Q128 WeakPolarHBondContact O-CB 3.43Å; P125-Q128 PolarHBondContact O-N 3.06Å; F126-Q128 VanDerWaalsContact C-N 3.3Å; F126-Q128 PolarHBondContact O-N 3.18Å; Q128-L131 PolarHBondContact O-N 2.92Å; Q128-R132 WeakPolarHBondContact O-CB 3.37Å; Q128-R132 WeakPolarHBondContact O-CG 3.16Å; Q128-R132 PolarHBondContact O-N 2.98Å
129L76.4Confident76.7Confident12 Ų1279.8 Ų79.86%0.06341%0.41CS..Hα-helixtrans-58.6-50.8172.8-72.5170000110.6V118 E119 F124 P125 F126 L131 R132 F133V118-L129 HydrophobicContact CG1-CD2 4.41Å; E119-L129 HydrophobicContact CB-CD1 4.42Å; F124-L129 HydrophobicContact CB-CD1 4.18Å; F124-L129 HydrophobicContact CB-CD2 3.6Å; F124-L129 HydrophobicContact CB-CG 3.54Å; F124-L129 HydrophobicContact CD2-CD2 3.64Å; F124-L129 HydrophobicContact CG-CD2 3.96Å; F124-L129 HydrophobicContact CG-CG 4.42Å; P125-L129 PolarHBondContact O-N 2.96Å; F126-L129 WeakPolarHBondContact O-CB 3.16Å; F126-L129 PolarHBondContact O-N 3.36Å; F126-L129 VanDerWaalsContact O-N 3.17Å; L129-L131 PolarHBondContact O-N 3.25Å; L129-R132 WeakPolarHBondContact O-CB 3.24Å; L129-R132 PolarHBondContact O-N 3.12Å; L129-R132 VanDerWaalsContact O-N 3.13Å; L129-F133 WeakPolarHBondContact O-CD2 3.2Å; L129-F133 PolarHBondContact O-N 3.3Å
130K79.3Confident78.2Confident79 Ų7975.6 Ų75.634%0.34339%0.39SS..Hα-helixtrans-56.1-48.3179.7-172.9178.5-180-177.90111.9F126 R132 F133 Q134F126-K130 WeakPolarHBondContact O-CB 3.46Å; F126-K130 PolarHBondContact O-N 3.13Å; K130-R132 VanDerWaalsContact C-N 3.35Å; K130-R132 PolarHBondContact O-N 3.13Å; K130-F133 PolarHBondContact O-N 2.76Å; K130-Q134 WeakPolarHBondContact O-CB 3.42Å; K130-Q134 VanDerWaalsContact O-CG 3.3Å; K130-Q134 WeakPolarHBondContact O-CG 3.13Å; K130-Q134 PolarHBondContact O-N 2.95Å
131L83.9Confident79.8Confident117 Ų11770.6 Ų70.661%0.61338%0.375SS*.Hα-helixtrans-62.8-40.1177.6-175.265.1000112.3E127 Q128 L129 Q134 K135E127-L131 WeakPolarHBondContact O-CB 3.32Å; E127-L131 PolarHBondContact O-N 3.27Å; Q128-L131 PolarHBondContact O-N 2.92Å; L129-L131 PolarHBondContact O-N 3.25Å; L131-Q134 PolarHBondContact O-N 3.29Å; L131-K135 WeakPolarHBondContact O-CB 3.35Å; L131-K135 PolarHBondContact O-N 3.37Å
132R82.8Confident81.4Confident55 Ų5568.3 Ų68.321%0.20837%0.369CS..Hα-helixtrans-62.7-47.2176.5-73.9173.471.686.910.6111.5Q128 L129 K130 K135 F136 D201 W203Q128-R132 WeakPolarHBondContact O-CB 3.37Å; Q128-R132 WeakPolarHBondContact O-CG 3.16Å; Q128-R132 PolarHBondContact O-N 2.98Å; L129-R132 WeakPolarHBondContact O-CB 3.24Å; L129-R132 PolarHBondContact O-N 3.12Å; L129-R132 VanDerWaalsContact O-N 3.13Å; K130-R132 VanDerWaalsContact C-N 3.35Å; K130-R132 PolarHBondContact O-N 3.13Å; R132-K135 WeakPolarHBondContact O-CB 3.44Å; R132-K135 PolarHBondContact O-N 3.26Å; R132-F136 WeakPolarHBondContact O-CD2 3.38Å; R132-F136 PolarHBondContact O-N 3.13Å; R132-F136 VanDerWaalsContact O-N 3.17Å; R132-D201 IonicContact CZ-OD1 2.76Å; R132-D201 IonicContact CZ-OD2 3.76Å; R132-D201 IonicContact NH1-OD1 2.95Å; R132-D201 PolarHBondContact NH1-OD1 3.44Å; R132-D201 IonicContact NH2-OD1 3.74Å; R132-D201 PolarHBondContact NH2-OD1 3.26Å; R132-D201 IonicContact NH2-OD2 2.74Å; R132-W203 PolarHBondContact NH2-O 2.87Å; R132-W203 VanDerWaalsContact NH2-O 3.13Å
133F81.4Confident83Confident32 Ų3265.4 Ų65.414%0.1434%0.339CS..Hα-helixtrans-64.2-43.9177.2-88.8-93.7000111.8L115 V118 L129 K130 K135 F136 D137 D208L115-F133 HydrophobicContact CD2-CB 3.62Å; L115-F133 HydrophobicContact CD2-CD1 3.96Å; L115-F133 HydrophobicContact CD2-CD2 3.29Å; L115-F133 HydrophobicContact CD2-CE1 4.45Å; L115-F133 HydrophobicContact CD2-CE2 3.85Å; L115-F133 HydrophobicContact CD2-CG 3.35Å; L115-F133 HydrophobicContact CD2-CZ 4.4Å; L115-F133 HydrophobicContact CG-CG 4.36Å; V118-F133 HydrophobicContact CG1-CE2 4.1Å; V118-F133 HydrophobicContact CG1-CZ 4.31Å; V118-F133 HydrophobicContact CG2-CE2 4.5Å; V118-F133 HydrophobicContact CG2-CZ 4.08Å; L129-F133 WeakPolarHBondContact O-CD2 3.2Å; L129-F133 PolarHBondContact O-N 3.3Å; K130-F133 PolarHBondContact O-N 2.76Å; F133-K135 VanDerWaalsContact C-N 3.28Å; F133-K135 PolarHBondContact O-N 3.46Å; F133-F136 PolarHBondContact O-N 3.39Å; F133-F136 VanDerWaalsContact O-N 3.15Å; F133-D137 VanDerWaalsContact O-CB 3.31Å; F133-D137 WeakPolarHBondContact O-CB 3.4Å; F133-D137 PolarHBondContact O-N 2.75Å; F133-D208 HydrophobicContact CE1-CB 4.31Å
134Q84.5Confident84.4Confident94 Ų9462 Ų6244%0.43933%0.329SS..Hα-helixtrans-58.6-39174.8-75.4176.3-18.100112.5K130 L131 D137 T138K130-Q134 WeakPolarHBondContact O-CB 3.42Å; K130-Q134 VanDerWaalsContact O-CG 3.3Å; K130-Q134 WeakPolarHBondContact O-CG 3.13Å; K130-Q134 PolarHBondContact O-N 2.95Å; L131-Q134 PolarHBondContact O-N 3.29Å; Q134-D137 PolarHBondContact O-N 2.84Å; Q134-T138 VanDerWaalsContact O-CB 3.27Å; Q134-T138 WeakPolarHBondContact O-CB 3.48Å; Q134-T138 PolarHBondContact O-N 3.44Å; Q134-T138 PolarHBondContact O-OG1 3.41Å
135K89.4Confident85.6Confident82 Ų8264.8 Ų64.836%0.35735%0.348SS..Hα-helixtrans-59-48174.3170.9-168.6169.6-166.80111.3L131 R132 F133 F139 L199 V200 D201L131-K135 WeakPolarHBondContact O-CB 3.35Å; L131-K135 PolarHBondContact O-N 3.37Å; R132-K135 WeakPolarHBondContact O-CB 3.44Å; R132-K135 PolarHBondContact O-N 3.26Å; F133-K135 VanDerWaalsContact C-N 3.28Å; F133-K135 PolarHBondContact O-N 3.46Å; K135-F139 WeakPolarHBondContact O-CB 3.48Å; K135-F139 PolarHBondContact O-N 2.94Å; K135-L199 HydrophobicContact CD-CD1 4.45Å; K135-L199 HydrophobicContact CG-CD1 4.35Å; K135-L199 HydrophobicContact CG-CD2 4.29Å; K135-V200 PolarHBondContact NZ-O 2.77Å; K135-D201 IonicContact NZ-OD2 3.13Å; K135-D201 PolarHBondContact NZ-OD2 3.39Å
136F90.1Very high86.3Confident4 Ų468 Ų682%0.01836%0.356CS..Hα-helixtrans-66.5-47177.9-74.8-67000111.8R132 F133 F139 V140 I183 L199 D201 P205 L209R132-F136 WeakPolarHBondContact O-CD2 3.38Å; R132-F136 PolarHBondContact O-N 3.13Å; R132-F136 VanDerWaalsContact O-N 3.17Å; F133-F136 PolarHBondContact O-N 3.39Å; F133-F136 VanDerWaalsContact O-N 3.15Å; F136-F139 PolarHBondContact O-N 2.75Å; F136-F139 VanDerWaalsContact O-N 3.15Å; F136-V140 WeakPolarHBondContact O-CG2 3.19Å; F136-V140 PolarHBondContact O-N 3.19Å; F136-I183 HydrophobicContact CD1-CD1 4.17Å; F136-I183 HydrophobicContact CD1-CG2 4.18Å; F136-I183 HydrophobicContact CE1-CG2 3.74Å; F136-L199 HydrophobicContact CD1-CD2 3.69Å; F136-L199 HydrophobicContact CE1-CD2 3.89Å; F136-D201 HydrophobicContact CE1-CB 4.37Å; F136-D201 HydrophobicContact CZ-CB 3.72Å; F136-P205 HydrophobicContact CD2-CG 3.94Å; F136-P205 HydrophobicContact CE2-CG 4.02Å; F136-P205 HydrophobicContact CG-CG 4.48Å; F136-L209 HydrophobicContact CB-CD2 4.24Å; F136-L209 HydrophobicContact CD1-CD1 4.19Å
137D86.7Confident87.3Confident80 Ų8068.8 Ų68.843%0.42836%0.359SS..Hα-helixtrans-59-48.3-179.6-172.155.1000112.1F133 Q134 F139 V140 G141F133-D137 VanDerWaalsContact O-CB 3.31Å; F133-D137 WeakPolarHBondContact O-CB 3.4Å; F133-D137 PolarHBondContact O-N 2.75Å; Q134-D137 PolarHBondContact O-N 2.84Å; D137-F139 VanDerWaalsContact C-N 3.29Å; D137-F139 PolarHBondContact O-N 3.19Å; D137-V140 VanDerWaalsContact O-CG2 3.26Å; D137-V140 WeakPolarHBondContact O-CG2 3.42Å; D137-V140 PolarHBondContact O-N 3.06Å; D137-G141 WeakPolarHBondContact O-CA 3.46Å; D137-G141 PolarHBondContact O-N 2.72Å
138T90.3Very high88.1Confident99 Ų9962.8 Ų62.861%0.60733%0.331SS*.Hα-helixtrans-59.5-41.6175.3-56.40000111.4Q134 G141 S142Q134-T138 VanDerWaalsContact O-CB 3.27Å; Q134-T138 WeakPolarHBondContact O-CB 3.48Å; Q134-T138 PolarHBondContact O-N 3.44Å; Q134-T138 PolarHBondContact O-OG1 3.41Å; T138-G141 PolarHBondContact O-N 2.85Å; T138-S142 PolarHBondContact O-N 3.18Å
139F93.7Very high88.9Confident24 Ų2457.6 Ų57.611%0.10531%0.307CS..Hα-helixtrans-68.7-46-178.4-173.2-101.4000112.2K135 F136 D137 G141 S142 K181 I183 N197 L199K135-F139 WeakPolarHBondContact O-CB 3.48Å; K135-F139 PolarHBondContact O-N 2.94Å; F136-F139 PolarHBondContact O-N 2.75Å; F136-F139 VanDerWaalsContact O-N 3.15Å; D137-F139 VanDerWaalsContact C-N 3.29Å; D137-F139 PolarHBondContact O-N 3.19Å; F139-G141 VanDerWaalsContact C-N 3.34Å; F139-S142 PolarHBondContact O-N 3.15Å; F139-S142 PolarHBondContact O-OG 3.28Å; F139-K181 HydrophobicContact CD1-CB 4.44Å; F139-K181 HydrophobicContact CE1-CB 3.75Å; F139-K181 HydrophobicContact CE1-CD 4.33Å; F139-K181 HydrophobicContact CE1-CG 4.36Å; F139-K181 HydrophobicContact CE2-CD 4.06Å; F139-K181 HydrophobicContact CZ-CB 4.05Å; F139-K181 HydrophobicContact CZ-CD 3.83Å; F139-K181 HydrophobicContact CZ-CG 4.36Å; F139-I183 HydrophobicContact CD1-CD1 4.37Å; F139-I183 HydrophobicContact CD1-CG1 3.86Å; F139-I183 HydrophobicContact CE1-CG1 3.89Å; F139-N197 WeakPolarHBondContact CZ-O 3.46Å; F139-L199 HydrophobicContact CB-CD2 3.84Å; F139-L199 HydrophobicContact CD1-CB 3.71Å; F139-L199 HydrophobicContact CD1-CD2 3.89Å; F139-L199 HydrophobicContact CD1-CG 4.43Å; F139-L199 HydrophobicContact CD2-CB 3.98Å; F139-L199 HydrophobicContact CD2-CD2 4.39Å; F139-L199 HydrophobicContact CE1-CB 3.49Å; F139-L199 VanDerWaalsContact CE1-CB 3.49Å; F139-L199 HydrophobicContact CE2-CB 3.79Å; F139-L199 HydrophobicContact CG-CB 3.93Å; F139-L199 HydrophobicContact CG-CD2 3.8Å; F139-L199 HydrophobicContact CG-CG 4.36Å; F139-L199 HydrophobicContact CZ-CB 3.52Å
140V91.3Very high89.9Confident1 Ų157.1 Ų57.11%0.00631%0.305CS..Hα-helixtrans-68.8-33.9175.2-600000112F136 D137 S142 A143 F149 I183 L209F136-V140 WeakPolarHBondContact O-CG2 3.19Å; F136-V140 PolarHBondContact O-N 3.19Å; D137-V140 VanDerWaalsContact O-CG2 3.26Å; D137-V140 WeakPolarHBondContact O-CG2 3.42Å; D137-V140 PolarHBondContact O-N 3.06Å; V140-S142 VanDerWaalsContact C-N 3.29Å; V140-S142 PolarHBondContact O-N 3.14Å; V140-A143 VanDerWaalsContact O-CB 3.26Å; V140-A143 WeakPolarHBondContact O-CB 3.36Å; V140-A143 PolarHBondContact O-N 3.41Å; V140-A143 VanDerWaalsContact O-N 3.11Å; V140-F149 HydrophobicContact CB-CD1 3.9Å; V140-F149 HydrophobicContact CB-CE1 3.92Å; V140-F149 HydrophobicContact CB-CG 4.49Å; V140-F149 HydrophobicContact CG1-CD1 3.8Å; V140-F149 HydrophobicContact CG1-CD2 4.11Å; V140-F149 HydrophobicContact CG1-CE1 3.81Å; V140-F149 HydrophobicContact CG1-CE2 4.12Å; V140-F149 HydrophobicContact CG1-CG 3.96Å; V140-F149 HydrophobicContact CG1-CZ 3.97Å; V140-I183 HydrophobicContact CG1-CD1 3.6Å; V140-L209 HydrophobicContact CG1-CD2 3.91Å
141G89.7Confident90.8Very high45 Ų4553.4 Ų53.446%0.46429%0.288SS..Hα-helixtrans-58.9-40.1173.100000112.1D137 T138 F139 A143 K225D137-G141 WeakPolarHBondContact O-CA 3.46Å; D137-G141 PolarHBondContact O-N 2.72Å; T138-G141 PolarHBondContact O-N 2.85Å; F139-G141 VanDerWaalsContact C-N 3.34Å; G141-A143 PolarHBondContact O-N 2.87Å; G141-K225 PolarHBondContact O-NZ 2.99Å
142S93.1Very high91.4Very high70 Ų7047.9 Ų47.949%0.4926%0.259SS..THydrogen-bonded Turntrans-70.5-12.2176.980.60000114.9T138 F139 V140 K181T138-S142 PolarHBondContact O-N 3.18Å; F139-S142 PolarHBondContact O-N 3.15Å; F139-S142 PolarHBondContact O-OG 3.28Å; V140-S142 VanDerWaalsContact C-N 3.29Å; V140-S142 PolarHBondContact O-N 3.14Å; S142-K181 WeakPolarHBondContact OG-CE 3.29Å
143A93.5Very high92.1Very high5 Ų545.4 Ų45.44%0.04125%0.251CS..SBendtrans-71139.5175.500000110.7V140 G141 F149 K181 K225V140-A143 VanDerWaalsContact O-CB 3.26Å; V140-A143 WeakPolarHBondContact O-CB 3.36Å; V140-A143 PolarHBondContact O-N 3.41Å; V140-A143 VanDerWaalsContact O-N 3.11Å; G141-A143 PolarHBondContact O-N 2.87Å; A143-F149 HydrophobicContact CB-CB 4.5Å; A143-K181 HydrophobicContact CB-CB 4.13Å; A143-K181 HydrophobicContact CB-CG 3.67Å; A143-K225 HydrophobicContact CB-CD 4.44Å; A143-K225 WeakPolarHBondContact O-CE 3.48Å; A143-K225 PolarHBondContact O-NZ 3.37Å
144S93.5Very high92.7Very high61 Ų6144.1 Ų44.143%0.42725%0.245SC..  trans-65.6150.2175.871.60000110.9E146 K147 G148S144-E146 PolarHBondContact O-N 3.46Å; S144-K147 WeakPolarHBondContact OG-CB 3.2Å; S144-K147 WeakPolarHBondContact OG-CG 3.39Å; S144-K147 PolarHBondContact OG-N 3.05Å; S144-K147 VanDerWaalsContact OG-N 3.12Å; S144-G148 WeakPolarHBondContact O-CA 3.5Å; S144-G148 PolarHBondContact O-N 2.95Å
145N90.1Very high93Very high126 Ų12640.4 Ų40.467%0.67423%0.232SC*.THydrogen-bonded Turntrans-62.6-33.6178.3-70.4-22.5000112.3K225 R227N145-K225 WeakPolarHBondContact OD1-CE 3.39Å; N145-R227 PolarHBondContact O-NH2 3.31Å
146E91.4Very high92.9Very high145 Ų14544.3 Ų44.368%0.67825%0.249SC*.THydrogen-bonded Turntrans-72.5-51.6179.7-165.3-165.1146.600111.4S144S144-E146 PolarHBondContact O-N 3.46Å
147K94.6Very high92.8Very high78 Ų7845.9 Ų45.934%0.33926%0.261SS..THydrogen-bonded Turntrans-88.5-30.6-172.6-52.3-55.2-172.7-161.50113.1S144 P179 N180 R227S144-K147 WeakPolarHBondContact OG-CB 3.2Å; S144-K147 WeakPolarHBondContact OG-CG 3.39Å; S144-K147 PolarHBondContact OG-N 3.05Å; S144-K147 VanDerWaalsContact OG-N 3.12Å; K147-P179 HydrophobicContact CD-CB 4.18Å; K147-P179 HydrophobicContact CD-CG 4.24Å; K147-P179 HydrophobicContact CG-CB 4.11Å; K147-N180 PolarHBondContact O-ND2 2.97Å; K147-R227 WeakPolarHBondContact O-CG 3.21Å
148G94.9Very high93.1Very high1 Ų143 Ų431%0.0125%0.246CC..  trans57.5-154.1177.200000114.1S144 K181 K225S144-G148 WeakPolarHBondContact O-CA 3.5Å; S144-G148 PolarHBondContact O-N 2.95Å; G148-K181 PolarHBondContact O-N 3.28Å; G148-K181 VanDerWaalsContact O-N 3.08Å; G148-K225 CarbonylContact C-O 3.42Å; G148-K225 WeakPolarHBondContact CA-O 3.26Å
149F96.5Very high93.2Very high0 Ų044.4 Ų44.40%024%0.244CC..EExtended strand (participates in β ladder)trans-129.5157.7179.872.4-87.7000112.8V140 A143 I151 K181 I183 L209 H223 K225 C226 R227V140-F149 HydrophobicContact CB-CD1 3.9Å; V140-F149 HydrophobicContact CB-CE1 3.92Å; V140-F149 HydrophobicContact CB-CG 4.49Å; V140-F149 HydrophobicContact CG1-CD1 3.8Å; V140-F149 HydrophobicContact CG1-CD2 4.11Å; V140-F149 HydrophobicContact CG1-CE1 3.81Å; V140-F149 HydrophobicContact CG1-CE2 4.12Å; V140-F149 HydrophobicContact CG1-CG 3.96Å; V140-F149 HydrophobicContact CG1-CZ 3.97Å; A143-F149 HydrophobicContact CB-CB 4.5Å; F149-I151 HydrophobicContact CD2-CG1 4.15Å; F149-I151 HydrophobicContact CE2-CD1 4.14Å; F149-I151 HydrophobicContact CE2-CG1 3.84Å; F149-K181 CarbonylContact C-O 3.54Å; F149-K181 WeakPolarHBondContact CA-O 3.3Å; F149-K181 HydrophobicContact CB-CB 3.83Å; F149-K181 WeakPolarHBondContact CB-O 3.38Å; F149-I183 HydrophobicContact CD2-CD1 4.09Å; F149-I183 HydrophobicContact CE2-CD1 4.34Å; F149-L209 WeakPolarHBondContact CZ-O 3.45Å; F149-H223 HydrophobicContact CE1-CB 4.42Å; F149-H223 AromaticContact CE1-CD2 3.41Å; F149-H223 VanDerWaalsContact CE1-CD2 3.41Å; F149-H223 WeakPolarHBondContact CE1-CD2 3.24Å; F149-H223 AromaticContact CE1-CE1 3.92Å; F149-H223 AromaticContact CE1-CG 3.67Å; F149-H223 AromaticContact CE1-ND1 3.98Å; F149-H223 AromaticContact CE1-NE2 3.55Å; F149-H223 HydrophobicContact CZ-CB 4.19Å; F149-H223 AromaticContact CZ-CD2 3.46Å; F149-H223 VanDerWaalsContact CZ-CD2 3.46Å; F149-H223 WeakPolarHBondContact CZ-CD2 3.35Å; F149-H223 AromaticContact CZ-CG 3.81Å; F149-K225 VanDerWaalsContact CD1-C 3.5Å; F149-K225 HydrophobicContact CD1-CB 3.75Å; F149-K225 VanDerWaalsContact CD1-O 3.31Å; F149-K225 WeakPolarHBondContact CD1-O 3.46Å; F149-K225 VanDerWaalsContact CE1-C 3.44Å; F149-K225 HydrophobicContact CE1-CB 3.81Å; F149-K225 PolarHBondContact N-O 3.35Å; F149-C226 HydrophobicContact CE1-CB 4Å; F149-C226 VanDerWaalsContact CE1-N 3.34Å; F149-C226 HydrophobicContact CE2-CB 3.93Å; F149-C226 HydrophobicContact CZ-CB 3.53Å; F149-R227 PolarHBondContact O-N 3.28Å
150I97.4Very high93.3Very high2 Ų243.7 Ų43.71%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-119.8138.8176.1-60-64.7000108.2N180 K181 V182 I183 R227 G228 I230 V287 T291I150-N180 HydrophobicContact CG1-CB 3.99Å; I150-K181 PolarHBondContact N-O 2.86Å; I150-V182 CarbonylContact O-C 3.56Å; I150-V182 WeakPolarHBondContact O-CA 3.4Å; I150-I183 PolarHBondContact O-N 2.88Å; I150-R227 HydrophobicContact CD1-CB 3.71Å; I150-G228 WeakPolarHBondContact CA-O 3.28Å; I150-I230 HydrophobicContact CG2-CD1 3.77Å; I150-I230 HydrophobicContact CG2-CG1 3.79Å; I150-V287 HydrophobicContact CD1-CG1 4.25Å; I150-V287 HydrophobicContact CG1-CG1 4.09Å; I150-T291 HydrophobicContact CD1-CG2 3.95Å
151I97.7Very high93.5Very high0 Ų045.9 Ų45.90%026%0.263CS..EExtended strand (participates in β ladder)trans-96.6137.4170.2-55.9172.6000107.7F149 I183 V204 L209 L210 G228 L229 I230F149-I151 HydrophobicContact CD2-CG1 4.15Å; F149-I151 HydrophobicContact CE2-CD1 4.14Å; F149-I151 HydrophobicContact CE2-CG1 3.84Å; I151-I183 CarbonylContact C-O 3.54Å; I151-I183 WeakPolarHBondContact CA-O 3.32Å; I151-V204 HydrophobicContact CG2-CG1 4.16Å; I151-L209 HydrophobicContact CD1-CB 3.62Å; I151-L209 HydrophobicContact CD1-CD1 4.43Å; I151-L210 HydrophobicContact CD1-CD2 3.91Å; I151-L210 HydrophobicContact CD1-CG 4.1Å; I151-G228 PolarHBondContact N-O 2.83Å; I151-G228 VanDerWaalsContact N-O 3.1Å; I151-L229 HydrophobicContact CB-CD1 3.78Å; I151-L229 HydrophobicContact CG2-CD1 3.69Å; I151-L229 CarbonylContact O-C 3.59Å; I151-L229 WeakPolarHBondContact O-CA 3.38Å; I151-I230 PolarHBondContact O-N 3.17Å
152F97.9Very high93.7Very high2 Ų252 Ų521%0.00928%0.277CS..EExtended strand (participates in β ladder)trans-119.4108167.9178.7-149.6000109.7T154 W160 F171 F175 I183 W184 Q185 I230F152-T154 HydrophobicContact CD2-CG2 4.42Å; F152-T154 HydrophobicContact CE2-CG2 3.59Å; F152-T154 HydrophobicContact CZ-CG2 3.79Å; F152-W160 HydrophobicContact CD1-CZ2 4.45Å; F152-W160 AromaticContact CE1-CH2 3.57Å; F152-W160 HydrophobicContact CE1-CH2 3.57Å; F152-W160 AromaticContact CE1-CZ2 3.49Å; F152-W160 HydrophobicContact CE1-CZ2 3.49Å; F152-W160 VanDerWaalsContact CE1-CZ2 3.49Å; F152-W160 AromaticContact CZ-CH2 3.65Å; F152-W160 HydrophobicContact CZ-CH2 3.65Å; F152-W160 AromaticContact CZ-CZ2 3.55Å; F152-W160 HydrophobicContact CZ-CZ2 3.55Å; F152-F171 AromaticContact CE1-CD1 3.75Å; F152-F171 HydrophobicContact CE1-CD1 3.75Å; F152-F171 AromaticContact CE1-CE1 3.75Å; F152-F171 HydrophobicContact CE1-CE1 3.75Å; F152-F171 HydrophobicContact CE1-CG 4.18Å; F152-F171 HydrophobicContact CE1-CZ 4.19Å; F152-F171 HydrophobicContact CZ-CD1 4.11Å; F152-F171 AromaticContact CZ-CE1 3.6Å; F152-F171 HydrophobicContact CZ-CE1 3.6Å; F152-F171 HydrophobicContact CZ-CE2 4.4Å; F152-F171 AromaticContact CZ-CZ 3.77Å; F152-F171 HydrophobicContact CZ-CZ 3.77Å; F152-F175 HydrophobicContact CB-CZ 4.27Å; F152-F175 AromaticContact CD1-CE2 3.59Å; F152-F175 HydrophobicContact CD1-CE2 3.59Å; F152-F175 AromaticContact CD1-CZ 3.3Å; F152-F175 HydrophobicContact CD1-CZ 3.3Å; F152-F175 HydrophobicContact CE1-CE2 4.07Å; F152-F175 AromaticContact CE1-CZ 3.76Å; F152-F175 HydrophobicContact CE1-CZ 3.76Å; F152-F175 AromaticContact CG-CZ 3.97Å; F152-F175 HydrophobicContact CG-CZ 3.97Å; F152-I183 PolarHBondContact N-O 3.3Å; F152-W184 HydrophobicContact CD1-CB 4.48Å; F152-W184 AromaticContact CD1-CD1 3.18Å; F152-W184 HydrophobicContact CD1-CD2 4.06Å; F152-W184 AromaticContact CD1-CE2 3.81Å; F152-W184 AromaticContact CD1-CG 3.7Å; F152-W184 HydrophobicContact CD1-CG 3.7Å; F152-W184 AromaticContact CD1-NE1 3.29Å; F152-W184 VanDerWaalsContact CD1-NE1 3.29Å; F152-W184 AromaticContact CE1-CD1 3.75Å; F152-W184 HydrophobicContact CE1-CD2 4.43Å; F152-W184 AromaticContact CE1-CE2 3.74Å; F152-W184 HydrophobicContact CE1-CG 4.43Å; F152-W184 HydrophobicContact CE1-CZ2 4.2Å; F152-W184 AromaticContact CE1-NE1 3.32Å; F152-W184 VanDerWaalsContact CE1-NE1 3.32Å; F152-W184 AromaticContact CG-CD1 3.94Å; F152-Q185 PolarHBondContact O-N 3.15Å; F152-I230 WeakPolarHBondContact CA-O 3.45Å; F152-I230 HydrophobicContact CB-CB 4.14Å; F152-I230 HydrophobicContact CB-CD1 4.45Å; F152-I230 HydrophobicContact CD2-CB 3.6Å; F152-I230 HydrophobicContact CD2-CG2 3.37Å; F152-I230 WeakPolarHBondContact CD2-O 3.38Å; F152-I230 HydrophobicContact CE2-CB 4.35Å; F152-I230 HydrophobicContact CE2-CG2 3.61Å; F152-I230 HydrophobicContact CG-CB 4.14Å; F152-I230 HydrophobicContact CG-CG2 4.19Å
153S96.8Very high93.8Very high3 Ų350 Ų502%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-126.2127.7177.3177.90000112.2G155 Q185 Q206 I230 T231 H232S153-G155 PolarHBondContact OG-N 2.87Å; S153-Q185 PolarHBondContact OG-OE1 3.4Å; S153-Q206 VanDerWaalsContact CB-OE1 3.24Å; S153-I230 PolarHBondContact N-O 3.49Å; S153-T231 VanDerWaalsContact O-CA 3.29Å; S153-T231 WeakPolarHBondContact O-CA 3.18Å; S153-H232 PolarHBondContact O-N 3.41Å
154T94.3Very high93.9Very high5 Ų553.8 Ų53.83%0.03129%0.286CS..  trans-104.410.8174.7520000113.3F152 S157 V158 W160 H232F152-T154 HydrophobicContact CD2-CG2 4.42Å; F152-T154 HydrophobicContact CE2-CG2 3.59Å; F152-T154 HydrophobicContact CZ-CG2 3.79Å; T154-S157 PolarHBondContact O-N 3.16Å; T154-V158 HydrophobicContact CG2-CB 4.15Å; T154-V158 HydrophobicContact CG2-CG2 3.98Å; T154-W160 HydrophobicContact CG2-CZ2 3.67Å; T154-W160 PolarHBondContact OG1-NE1 2.89Å; T154-W160 VanDerWaalsContact OG1-NE1 3.1Å; T154-H232 VanDerWaalsContact C-ND1 3.33Å; T154-H232 HydrophobicContact CG2-CB 4.32Å; T154-H232 PolarHBondContact O-ND1 3.37Å
155G89.6Confident93.9Very high15 Ų1555.8 Ų55.816%0.15529%0.292CS..THydrogen-bonded Turntrans51.2-143.8-173.700000112.2S153 Q185S153-G155 PolarHBondContact OG-N 2.87Å; G155-Q185 PolarHBondContact O-NE2 3.2Å
156F87.7Confident94.2Very high164 Ų16458.3 Ų58.372%0.71930%0.297SS*.THydrogen-bonded Turntrans-87.8-4.7175.4-60.1-76.8000113.7W203F156-W203 HydrophobicContact CD1-CZ3 4.35Å; F156-W203 HydrophobicContact CE1-CE3 4.36Å; F156-W203 HydrophobicContact CE1-CH2 4.13Å; F156-W203 AromaticContact CE1-CZ3 3.53Å; F156-W203 HydrophobicContact CE1-CZ3 3.53Å; F156-W203 AromaticContact CE2-CH2 3.6Å; F156-W203 HydrophobicContact CE2-CH2 3.6Å; F156-W203 AromaticContact CE2-CZ3 3.78Å; F156-W203 HydrophobicContact CE2-CZ3 3.78Å; F156-W203 HydrophobicContact CZ-CE3 4.28Å; F156-W203 AromaticContact CZ-CH2 3.31Å; F156-W203 HydrophobicContact CZ-CH2 3.31Å; F156-W203 HydrophobicContact CZ-CZ2 4.46Å; F156-W203 AromaticContact CZ-CZ3 3.2Å; F156-W203 HydrophobicContact CZ-CZ3 3.2Å
157S89Confident94.4Very high38 Ų3854.2 Ų54.227%0.26628%0.279SS..THydrogen-bonded Turntrans-74.8-28.3-172.8-60.50000113.4T154 H232T154-S157 PolarHBondContact O-N 3.16Å; S157-H232 PolarHBondContact OG-CD2 3.28Å; S157-H232 PolarHBondContact OG-NE2 3.49Å
158V92Very high94.5Very high20 Ų2051 Ų5112%0.12127%0.266CS..  trans-111.1113.8177-177.80000108.7T154 W160 V163 I253T154-V158 HydrophobicContact CG2-CB 4.15Å; T154-V158 HydrophobicContact CG2-CG2 3.98Å; V158-W160 HydrophobicContact CG1-CD2 4.07Å; V158-W160 HydrophobicContact CG1-CE3 4.38Å; V158-W160 HydrophobicContact CG1-CG 4.45Å; V158-W160 HydrophobicContact CG1-CZ2 4.35Å; V158-W160 PolarHBondContact O-N 2.81Å; V158-V163 HydrophobicContact CG1-CG2 3.67Å; V158-I253 HydrophobicContact CG2-CD1 3.99Å; V158-I253 HydrophobicContact CG2-CG1 3.79Å
159K93.4Very high94.6Very high128 Ų12852.9 Ų52.956%0.55728%0.281SS*.  trans-88.998.7171.5-62.2-174178.1-172.20108.1G161 K162K159-G161 PolarHBondContact O-N 3.44Å; K159-K162 HydrophobicContact CB-CG 4.42Å; K159-K162 PolarHBondContact O-N 3.09Å
160W95.6Very high94.6Very high9 Ų954.2 Ų54.23%0.03429%0.288CS..G310 helixtrans-62.5-28.2-172.1-70.5100.1000112.8F152 T154 V158 K162 V163 V168 F171 W184 Q185 Y186 D187F152-W160 HydrophobicContact CD1-CZ2 4.45Å; F152-W160 AromaticContact CE1-CH2 3.57Å; F152-W160 HydrophobicContact CE1-CH2 3.57Å; F152-W160 AromaticContact CE1-CZ2 3.49Å; F152-W160 HydrophobicContact CE1-CZ2 3.49Å; F152-W160 VanDerWaalsContact CE1-CZ2 3.49Å; F152-W160 AromaticContact CZ-CH2 3.65Å; F152-W160 HydrophobicContact CZ-CH2 3.65Å; F152-W160 AromaticContact CZ-CZ2 3.55Å; F152-W160 HydrophobicContact CZ-CZ2 3.55Å; T154-W160 HydrophobicContact CG2-CZ2 3.67Å; T154-W160 PolarHBondContact OG1-NE1 2.89Å; T154-W160 VanDerWaalsContact OG1-NE1 3.1Å; V158-W160 HydrophobicContact CG1-CD2 4.07Å; V158-W160 HydrophobicContact CG1-CE3 4.38Å; V158-W160 HydrophobicContact CG1-CG 4.45Å; V158-W160 HydrophobicContact CG1-CZ2 4.35Å; V158-W160 PolarHBondContact O-N 2.81Å; W160-K162 PolarHBondContact O-N 3.36Å; W160-K162 VanDerWaalsContact O-N 3.11Å; W160-V163 HydrophobicContact CE3-CB 4.13Å; W160-V163 HydrophobicContact CE3-CG1 4.17Å; W160-V163 HydrophobicContact CE3-CG2 3.94Å; W160-V163 HydrophobicContact CZ3-CG1 4.23Å; W160-V163 HydrophobicContact CZ3-CG2 4.46Å; W160-V163 PolarHBondContact O-N 3.31Å; W160-V163 VanDerWaalsContact O-N 3.07Å; W160-V168 HydrophobicContact CE3-CG2 4.28Å; W160-F171 AromaticContact CH2-CD2 3.82Å; W160-F171 HydrophobicContact CH2-CD2 3.82Å; W160-F171 AromaticContact CH2-CE2 3.75Å; W160-F171 HydrophobicContact CH2-CE2 3.75Å; W160-F171 HydrophobicContact CH2-CZ 4.37Å; W160-F171 AromaticContact CZ3-CD2 3.93Å; W160-F171 HydrophobicContact CZ3-CD2 3.93Å; W160-F171 HydrophobicContact CZ3-CE2 4.08Å; W160-W184 HydrophobicContact CD2-CZ2 4.19Å; W160-W184 AromaticContact CE2-NE1 3.4Å; W160-W184 AromaticContact CE3-CZ2 3.88Å; W160-W184 HydrophobicContact CE3-CZ2 3.88Å; W160-W184 AromaticContact CH2-CZ2 3.61Å; W160-W184 HydrophobicContact CH2-CZ2 3.61Å; W160-W184 AromaticContact CH2-NE1 3.81Å; W160-W184 AromaticContact CZ2-CE2 3.86Å; W160-W184 AromaticContact CZ2-CZ2 3.91Å; W160-W184 HydrophobicContact CZ2-CZ2 3.91Å; W160-W184 AromaticContact CZ2-NE1 3.2Å; W160-W184 AromaticContact CZ3-CZ2 3.6Å; W160-W184 HydrophobicContact CZ3-CZ2 3.6Å; W160-W184 AromaticContact NE1-NE1 3.78Å; W160-Q185 PolarHBondContact NE1-O 3.27Å; W160-Y186 HydrophobicContact CB-CD2 3.64Å; W160-Y186 HydrophobicContact CB-CE2 3.57Å; W160-Y186 HydrophobicContact CB-CG 4.37Å; W160-Y186 AromaticContact CD2-CD2 3.74Å; W160-Y186 HydrophobicContact CD2-CD2 3.74Å; W160-Y186 HydrophobicContact CD2-CE2 4.08Å; W160-Y186 HydrophobicContact CE3-CD2 4.12Å; W160-Y186 HydrophobicContact CE3-CE2 4.1Å; W160-Y186 AromaticContact CG-CD2 3.54Å; W160-Y186 HydrophobicContact CG-CD2 3.54Å; W160-Y186 AromaticContact CG-CE2 3.91Å; W160-Y186 HydrophobicContact CG-CE2 3.91Å; W160-Y186 HydrophobicContact CG-CG 4.34Å; W160-D187 VanDerWaalsContact CB-OD1 3.28Å; W160-D187 WeakPolarHBondContact CB-OD1 3.36Å; W160-D187 PolarHBondContact N-OD1 3.29Å
161G94.4Very high94.6Very high47 Ų4754.5 Ų54.549%0.48529%0.289SS..G310 helixtrans-61.7-15.2172.600000115.1K159K159-G161 PolarHBondContact O-N 3.44Å
162K94.7Very high94.7Very high173 Ų17354.6 Ų54.675%0.75229%0.29SS*.G310 helixtrans-107.7-3.1175.8-59.6-168.7176.9-168.50113.4K159 W160K159-K162 HydrophobicContact CB-CG 4.42Å; K159-K162 PolarHBondContact O-N 3.09Å; W160-K162 PolarHBondContact O-N 3.36Å; W160-K162 VanDerWaalsContact O-N 3.11Å
163V94.8Very high94.7Very high28 Ų2859.5 Ų59.517%0.1731%0.312CS..SBendtrans-78134.6179.9174.70000108.6V158 W160 D165 I167 V168V158-V163 HydrophobicContact CG1-CG2 3.67Å; W160-V163 HydrophobicContact CE3-CB 4.13Å; W160-V163 HydrophobicContact CE3-CG1 4.17Å; W160-V163 HydrophobicContact CE3-CG2 3.94Å; W160-V163 HydrophobicContact CZ3-CG1 4.23Å; W160-V163 HydrophobicContact CZ3-CG2 4.46Å; W160-V163 PolarHBondContact O-N 3.31Å; W160-V163 VanDerWaalsContact O-N 3.07Å; V163-D165 PolarHBondContact O-N 3.09Å; V163-I167 HydrophobicContact CG1-CB 3.7Å; V163-I167 HydrophobicContact CG1-CG1 4.49Å; V163-I167 HydrophobicContact CG1-CG2 3.76Å; V163-V168 HydrophobicContact CB-CG2 4.34Å; V163-V168 HydrophobicContact CG1-CG2 4.03Å
164P95.1Very high94.7Very high85 Ų8559.3 Ų59.355%0.55231%0.311SS*.  trans-56.3138.6177-25.834.5000112.1K166 I167 V168P164-K166 PolarHBondContact O-N 2.81Å; P164-I167 HydrophobicContact CB-CG1 4.42Å; P164-I167 PolarHBondContact O-N 3.12Å; P164-V168 PolarHBondContact O-N 3.18Å
165D94.9Very high94.9Very high102 Ų10259.1 Ų59.155%0.54531%0.31SS..Hα-helixtrans-56.1-32-176.2-60.4-25.1000111.9V163 I167 V168 A169 K189V163-D165 PolarHBondContact O-N 3.09Å; D165-I167 VanDerWaalsContact C-N 3.32Å; D165-I167 PolarHBondContact O-N 3.35Å; D165-V168 PolarHBondContact O-N 3.41Å; D165-A169 WeakPolarHBondContact O-CB 3.38Å; D165-A169 PolarHBondContact O-N 2.93Å; D165-K189 IonicContact OD1-NZ 3.12Å; D165-K189 PolarHBondContact OD1-NZ 3.31Å; D165-K189 VanDerWaalsContact OD1-NZ 3.14Å; D165-K189 IonicContact OD2-NZ 3.99Å; D165-K189 PolarHBondContact OD2-NZ 2.78Å
166K95.4Very high95.3Very high179 Ų17964.6 Ų64.678%0.77833%0.326SS*.Hα-helixtrans-57.7-39173.6-176.9178179179.60113.5P164 M170P164-K166 PolarHBondContact O-N 2.81Å; K166-M170 WeakPolarHBondContact O-CB 3.45Å; K166-M170 PolarHBondContact O-N 3.22Å
167I95.5Very high95.8Very high60 Ų6059.2 Ų59.231%0.30831%0.312SS..Hα-helixtrans-74.7-39.7-180-59.5-61.1000110V163 P164 D165 M170 F171V163-I167 HydrophobicContact CG1-CB 3.7Å; V163-I167 HydrophobicContact CG1-CG1 4.49Å; V163-I167 HydrophobicContact CG1-CG2 3.76Å; P164-I167 HydrophobicContact CB-CG1 4.42Å; P164-I167 PolarHBondContact O-N 3.12Å; D165-I167 VanDerWaalsContact C-N 3.32Å; D165-I167 PolarHBondContact O-N 3.35Å; I167-M170 HydrophobicContact CG2-CE 4.16Å; I167-M170 PolarHBondContact O-N 3.07Å; I167-F171 HydrophobicContact CG2-CD2 4.01Å; I167-F171 HydrophobicContact CG2-CE2 3.82Å; I167-F171 VanDerWaalsContact O-CD2 3.26Å; I167-F171 WeakPolarHBondContact O-CD2 3.46Å; I167-F171 PolarHBondContact O-N 2.65Å; I167-F171 VanDerWaalsContact O-N 3.12Å
168V96.9Very high96.2Very high11 Ų1157.8 Ų57.87%0.06730%0.301CS..Hα-helixtrans-60.5-47.8174-179.90000110.1W160 V163 P164 D165 M170 F171 V172 W184 Y186 I191W160-V168 HydrophobicContact CE3-CG2 4.28Å; V163-V168 HydrophobicContact CB-CG2 4.34Å; V163-V168 HydrophobicContact CG1-CG2 4.03Å; P164-V168 PolarHBondContact O-N 3.18Å; D165-V168 PolarHBondContact O-N 3.41Å; V168-M170 VanDerWaalsContact C-N 3.34Å; V168-M170 PolarHBondContact O-N 3.39Å; V168-F171 PolarHBondContact O-N 3.29Å; V168-F171 VanDerWaalsContact O-N 3.17Å; V168-V172 WeakPolarHBondContact O-CG2 3.3Å; V168-V172 PolarHBondContact O-N 3.43Å; V168-W184 HydrophobicContact CG1-CH2 3.98Å; V168-Y186 HydrophobicContact CG1-CE2 3.96Å; V168-Y186 HydrophobicContact CG2-CE2 4.28Å; V168-I191 HydrophobicContact CG1-CD1 3.82Å; V168-I191 HydrophobicContact CG1-CG1 4.12Å
169A96.8Very high96.5Very high40 Ų4060.5 Ų60.533%0.33132%0.32SS..Hα-helixtrans-59.1-41.8177.100000112.5D165 F171 V172 E173D165-A169 WeakPolarHBondContact O-CB 3.38Å; D165-A169 PolarHBondContact O-N 2.93Å; A169-F171 PolarHBondContact O-N 3.02Å; A169-V172 WeakPolarHBondContact O-CB 3.5Å; A169-V172 PolarHBondContact O-N 2.88Å; A169-E173 WeakPolarHBondContact O-CG 3.43Å; A169-E173 PolarHBondContact O-N 3.04Å
170M97.2Very high96.7Very high28 Ų2854.6 Ų54.614%0.13829%0.294CS..Hα-helixtrans-60.2-42.7175175.2-160.572.600112.4K166 I167 V168 E173 A174 L278 K280 I283K166-M170 WeakPolarHBondContact O-CB 3.45Å; K166-M170 PolarHBondContact O-N 3.22Å; I167-M170 HydrophobicContact CG2-CE 4.16Å; I167-M170 PolarHBondContact O-N 3.07Å; V168-M170 VanDerWaalsContact C-N 3.34Å; V168-M170 PolarHBondContact O-N 3.39Å; M170-E173 PolarHBondContact O-N 3.21Å; M170-A174 WeakPolarHBondContact O-CB 3.26Å; M170-A174 PolarHBondContact O-N 2.81Å; M170-L278 HydrophobicContact CE-CD2 3.65Å; M170-L278 HydrophobicContact CE-CG 3.62Å; M170-L278 HydrophobicContact SD-CG 4.36Å; M170-K280 HydrophobicContact CG-CB 4.37Å; M170-I283 HydrophobicContact CE-CD1 4.06Å
171F97.8Very high96.8Very high8 Ų856.3 Ų56.34%0.03530%0.302CS..Hα-helixtrans-65.3-41.4174.4-82.3-69.9000111.8F152 W160 I167 V168 A169 E173 A174 F175 W184 I251 L278 I283F152-F171 AromaticContact CE1-CD1 3.75Å; F152-F171 HydrophobicContact CE1-CD1 3.75Å; F152-F171 AromaticContact CE1-CE1 3.75Å; F152-F171 HydrophobicContact CE1-CE1 3.75Å; F152-F171 HydrophobicContact CE1-CG 4.18Å; F152-F171 HydrophobicContact CE1-CZ 4.19Å; F152-F171 HydrophobicContact CZ-CD1 4.11Å; F152-F171 AromaticContact CZ-CE1 3.6Å; F152-F171 HydrophobicContact CZ-CE1 3.6Å; F152-F171 HydrophobicContact CZ-CE2 4.4Å; F152-F171 AromaticContact CZ-CZ 3.77Å; F152-F171 HydrophobicContact CZ-CZ 3.77Å; W160-F171 AromaticContact CH2-CD2 3.82Å; W160-F171 HydrophobicContact CH2-CD2 3.82Å; W160-F171 AromaticContact CH2-CE2 3.75Å; W160-F171 HydrophobicContact CH2-CE2 3.75Å; W160-F171 HydrophobicContact CH2-CZ 4.37Å; W160-F171 AromaticContact CZ3-CD2 3.93Å; W160-F171 HydrophobicContact CZ3-CD2 3.93Å; W160-F171 HydrophobicContact CZ3-CE2 4.08Å; I167-F171 HydrophobicContact CG2-CD2 4.01Å; I167-F171 HydrophobicContact CG2-CE2 3.82Å; I167-F171 VanDerWaalsContact O-CD2 3.26Å; I167-F171 WeakPolarHBondContact O-CD2 3.46Å; I167-F171 PolarHBondContact O-N 2.65Å; I167-F171 VanDerWaalsContact O-N 3.12Å; V168-F171 PolarHBondContact O-N 3.29Å; V168-F171 VanDerWaalsContact O-N 3.17Å; A169-F171 PolarHBondContact O-N 3.02Å; F171-E173 PolarHBondContact O-N 2.84Å; F171-A174 PolarHBondContact O-N 3.11Å; F171-F175 HydrophobicContact CB-CD2 4.46Å; F171-F175 HydrophobicContact CB-CE2 3.95Å; F171-F175 HydrophobicContact CB-CZ 4.29Å; F171-F175 HydrophobicContact CD1-CE1 4.21Å; F171-F175 HydrophobicContact CD1-CE2 4.1Å; F171-F175 AromaticContact CD1-CZ 3.59Å; F171-F175 HydrophobicContact CD1-CZ 3.59Å; F171-F175 HydrophobicContact CE1-CZ 4.39Å; F171-F175 HydrophobicContact CG-CE2 4.43Å; F171-F175 HydrophobicContact CG-CZ 4.35Å; F171-F175 WeakPolarHBondContact O-CB 3.18Å; F171-F175 WeakPolarHBondContact O-CD2 3.38Å; F171-F175 WeakPolarHBondContact O-CG 3.31Å; F171-F175 PolarHBondContact O-N 3.31Å; F171-W184 HydrophobicContact CB-CH2 3.66Å; F171-W184 HydrophobicContact CB-CZ2 4.07Å; F171-W184 HydrophobicContact CB-CZ3 4.24Å; F171-W184 HydrophobicContact CG-CZ2 4.47Å; F171-I251 HydrophobicContact CE1-CD1 4.16Å; F171-I251 HydrophobicContact CZ-CD1 4.28Å; F171-L278 HydrophobicContact CE2-CD2 4.14Å; F171-L278 HydrophobicContact CZ-CD1 4.3Å; F171-L278 HydrophobicContact CZ-CD2 3.89Å; F171-I283 HydrophobicContact CD1-CD1 3.58Å; F171-I283 HydrophobicContact CE1-CD1 3.45Å; F171-I283 VanDerWaalsContact CE1-CD1 3.45Å; F171-I283 HydrophobicContact CE1-CG1 4.32Å; F171-I283 HydrophobicContact CG-CD1 4.42Å; F171-I283 HydrophobicContact CZ-CD1 4.2Å
172V98.1Very high97Very high2 Ų254.1 Ų54.11%0.01228%0.279CS..Hα-helixtrans-57.8-47.7175169.40000111.2V168 A169 F175 R176 W184 I191 P195V168-V172 WeakPolarHBondContact O-CG2 3.3Å; V168-V172 PolarHBondContact O-N 3.43Å; A169-V172 WeakPolarHBondContact O-CB 3.5Å; A169-V172 PolarHBondContact O-N 2.88Å; V172-F175 PolarHBondContact O-N 3.42Å; V172-R176 WeakPolarHBondContact O-CB 3.39Å; V172-R176 PolarHBondContact O-N 3.35Å; V172-W184 HydrophobicContact CG2-CH2 4.38Å; V172-W184 HydrophobicContact CG2-CZ3 3.87Å; V172-I191 HydrophobicContact CG2-CD1 4.07Å; V172-I191 HydrophobicContact CG2-CG2 3.86Å; V172-P195 HydrophobicContact CG1-CG 4.09Å
173E98.1Very high97.1Very high104 Ų10445.9 Ų45.949%0.48624%0.243SC..Hα-helixtrans-65.4-39177.6-73.1-177.7177.800112.8A169 M170 F171 A177 K280A169-E173 WeakPolarHBondContact O-CG 3.43Å; A169-E173 PolarHBondContact O-N 3.04Å; M170-E173 PolarHBondContact O-N 3.21Å; F171-E173 PolarHBondContact O-N 2.84Å; E173-A177 PolarHBondContact O-N 3.26Å; E173-K280 HydrophobicContact CB-CD 4.1Å; E173-K280 HydrophobicContact CB-CG 4.35Å
174A98.3Very high97.2Very high0 Ų044.5 Ų44.50%024%0.235CC..Hα-helixtrans-62.6-49.6175.800000110.7M170 F171 R176 A177 L178 K280 I283 V284M170-A174 WeakPolarHBondContact O-CB 3.26Å; M170-A174 PolarHBondContact O-N 2.81Å; F171-A174 PolarHBondContact O-N 3.11Å; A174-R176 PolarHBondContact O-N 2.81Å; A174-A177 PolarHBondContact O-N 3.35Å; A174-A177 VanDerWaalsContact O-N 3.14Å; A174-L178 PolarHBondContact O-N 3.49Å; A174-K280 HydrophobicContact CB-CG 4.15Å; A174-I283 HydrophobicContact CB-CB 3.98Å; A174-I283 HydrophobicContact CB-CD1 4.09Å; A174-I283 HydrophobicContact CB-CG2 3.87Å; A174-V284 HydrophobicContact CB-CG2 4.27Å; A174-V284 WeakPolarHBondContact O-CG2 3.43Å
175F98.4Very high97.3Very high0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-68.4-33.6-179.2-59-27.1000112.7F152 F171 V172 A177 L178 V182 W184 N197 V198 I230 I283F152-F175 HydrophobicContact CB-CZ 4.27Å; F152-F175 AromaticContact CD1-CE2 3.59Å; F152-F175 HydrophobicContact CD1-CE2 3.59Å; F152-F175 AromaticContact CD1-CZ 3.3Å; F152-F175 HydrophobicContact CD1-CZ 3.3Å; F152-F175 HydrophobicContact CE1-CE2 4.07Å; F152-F175 AromaticContact CE1-CZ 3.76Å; F152-F175 HydrophobicContact CE1-CZ 3.76Å; F152-F175 AromaticContact CG-CZ 3.97Å; F152-F175 HydrophobicContact CG-CZ 3.97Å; F171-F175 HydrophobicContact CB-CD2 4.46Å; F171-F175 HydrophobicContact CB-CE2 3.95Å; F171-F175 HydrophobicContact CB-CZ 4.29Å; F171-F175 HydrophobicContact CD1-CE1 4.21Å; F171-F175 HydrophobicContact CD1-CE2 4.1Å; F171-F175 AromaticContact CD1-CZ 3.59Å; F171-F175 HydrophobicContact CD1-CZ 3.59Å; F171-F175 HydrophobicContact CE1-CZ 4.39Å; F171-F175 HydrophobicContact CG-CE2 4.43Å; F171-F175 HydrophobicContact CG-CZ 4.35Å; F171-F175 WeakPolarHBondContact O-CB 3.18Å; F171-F175 WeakPolarHBondContact O-CD2 3.38Å; F171-F175 WeakPolarHBondContact O-CG 3.31Å; F171-F175 PolarHBondContact O-N 3.31Å; V172-F175 PolarHBondContact O-N 3.42Å; F175-A177 PolarHBondContact O-N 2.68Å; F175-L178 HydrophobicContact CD1-CD1 3.89Å; F175-L178 PolarHBondContact O-N 3.28Å; F175-L178 VanDerWaalsContact O-N 3.16Å; F175-V182 HydrophobicContact CB-CB 4.45Å; F175-V182 HydrophobicContact CB-CG2 4.12Å; F175-V182 HydrophobicContact CD1-CG1 4.14Å; F175-V182 HydrophobicContact CD1-CG2 4.25Å; F175-V182 HydrophobicContact CD2-CG1 4.03Å; F175-V182 HydrophobicContact CE1-CG1 4.34Å; F175-V182 HydrophobicContact CE2-CG1 4.24Å; F175-V182 HydrophobicContact CG-CB 4.39Å; F175-V182 HydrophobicContact CG-CG1 3.99Å; F175-V182 HydrophobicContact CG-CG2 4.22Å; F175-V182 HydrophobicContact CZ-CG1 4.39Å; F175-W184 HydrophobicContact CD2-CD2 4.44Å; F175-W184 AromaticContact CD2-CE3 3.93Å; F175-W184 HydrophobicContact CD2-CE3 3.93Å; F175-W184 HydrophobicContact CD2-CZ3 4.25Å; F175-W184 AromaticContact CE2-CD2 3.85Å; F175-W184 HydrophobicContact CE2-CD2 3.85Å; F175-W184 AromaticContact CE2-CE3 3.76Å; F175-W184 HydrophobicContact CE2-CE3 3.76Å; F175-W184 HydrophobicContact CE2-CG 4.27Å; F175-W184 HydrophobicContact CE2-CZ3 4.14Å; F175-N197 PolarHBondContact O-ND2 2.93Å; F175-V198 HydrophobicContact CB-CG2 3.6Å; F175-I230 HydrophobicContact CE1-CD1 3.82Å; F175-I230 HydrophobicContact CZ-CD1 4.39Å; F175-I283 HydrophobicContact CE1-CG2 4.13Å
176R98.1Very high97.4Very high130 Ų13037.3 Ų37.349%0.49119%0.19SC..Hα-helixtrans-58.1-35.9171.7-173.7-178.2-68.3-85.71.9112.4V172 A174 L178 D193 P195V172-R176 WeakPolarHBondContact O-CB 3.39Å; V172-R176 PolarHBondContact O-N 3.35Å; A174-R176 PolarHBondContact O-N 2.81Å; R176-L178 VanDerWaalsContact C-N 3.33Å; R176-D193 PolarHBondContact NH2-O 2.9Å; R176-P195 HydrophobicContact CB-CB 4.19Å; R176-P195 HydrophobicContact CB-CG 3.66Å; R176-P195 HydrophobicContact CG-CB 4.24Å; R176-P195 HydrophobicContact CG-CG 4.08Å
177A97.9Very high97.4Very high52 Ų5233 Ų3343%0.4318%0.175SC..Hα-helixtrans-80.1-13.6-179.100000113.5E173 A174 F175 V284E173-A177 PolarHBondContact O-N 3.26Å; A174-A177 PolarHBondContact O-N 3.35Å; A174-A177 VanDerWaalsContact O-N 3.14Å; F175-A177 PolarHBondContact O-N 2.68Å; A177-V284 HydrophobicContact CB-CG2 4.02Å
178L97.8Very high97.3Very high7 Ų731.1 Ų31.14%0.03717%0.171CC..  trans-77.5138.6178.3-67.2175.8000111.1A174 F175 R176 N180 V182 N197 V284 V287A174-L178 PolarHBondContact O-N 3.49Å; F175-L178 HydrophobicContact CD1-CD1 3.89Å; F175-L178 PolarHBondContact O-N 3.28Å; F175-L178 VanDerWaalsContact O-N 3.16Å; R176-L178 VanDerWaalsContact C-N 3.33Å; L178-N180 PolarHBondContact O-N 2.94Å; L178-V182 HydrophobicContact CD1-CG2 4.05Å; L178-N197 PolarHBondContact O-ND2 3.28Å; L178-V284 HydrophobicContact CD2-CB 4.48Å; L178-V284 HydrophobicContact CD2-CG1 4.34Å; L178-V284 HydrophobicContact CD2-CG2 4.33Å; L178-V287 HydrophobicContact CD1-CB 4.35Å; L178-V287 HydrophobicContact CD1-CG1 4.07Å; L178-V287 HydrophobicContact CD1-CG2 4.24Å; L178-V287 HydrophobicContact CD2-CB 3.85Å; L178-V287 HydrophobicContact CD2-CG1 3.77Å
179P96.4Very high97.2Very high78 Ų7836.2 Ų36.251%0.50619%0.192SC..SBendtrans-74.4-10.2173.133-36.6000112.8K147K147-P179 HydrophobicContact CD-CB 4.18Å; K147-P179 HydrophobicContact CD-CG 4.24Å; K147-P179 HydrophobicContact CG-CB 4.11Å
180N97.8Very high97.1Very high4 Ų440.6 Ų40.62%0.02122%0.217CC..SBendtrans-83.2158-178.7-42.477.7000111.2K147 I150 L178 N197K147-N180 PolarHBondContact O-ND2 2.97Å; I150-N180 HydrophobicContact CG1-CB 3.99Å; L178-N180 PolarHBondContact O-N 2.94Å; N180-N197 PolarHBondContact O-ND2 3.5Å
181K97.8Very high97Very high45 Ų4540.8 Ų40.820%0.19622%0.219CC..EExtended strand (participates in β ladder)trans-73.9142.5158.5-68-60.5-167.4174.20109.4F139 S142 A143 G148 F149 I150 S196 N197F139-K181 HydrophobicContact CD1-CB 4.44Å; F139-K181 HydrophobicContact CE1-CB 3.75Å; F139-K181 HydrophobicContact CE1-CD 4.33Å; F139-K181 HydrophobicContact CE1-CG 4.36Å; F139-K181 HydrophobicContact CE2-CD 4.06Å; F139-K181 HydrophobicContact CZ-CB 4.05Å; F139-K181 HydrophobicContact CZ-CD 3.83Å; F139-K181 HydrophobicContact CZ-CG 4.36Å; S142-K181 WeakPolarHBondContact OG-CE 3.29Å; A143-K181 HydrophobicContact CB-CB 4.13Å; A143-K181 HydrophobicContact CB-CG 3.67Å; G148-K181 PolarHBondContact O-N 3.28Å; G148-K181 VanDerWaalsContact O-N 3.08Å; F149-K181 CarbonylContact C-O 3.54Å; F149-K181 WeakPolarHBondContact CA-O 3.3Å; F149-K181 HydrophobicContact CB-CB 3.83Å; F149-K181 WeakPolarHBondContact CB-O 3.38Å; I150-K181 PolarHBondContact N-O 2.86Å; K181-S196 PolarHBondContact NZ-O 3.45Å; K181-S196 VanDerWaalsContact NZ-O 3.13Å; K181-N197 CarbonylContact C-O 3.48Å; K181-N197 WeakPolarHBondContact CA-O 3.14Å; K181-N197 HydrophobicContact CD-CB 4.03Å
182V98.3Very high96.7Very high0 Ų046.4 Ų46.40%026%0.259CS..EExtended strand (participates in β ladder)trans-123.6123.1179.9-176.30000109.5I150 F175 L178 N197 V198 L199I150-V182 CarbonylContact O-C 3.56Å; I150-V182 WeakPolarHBondContact O-CA 3.4Å; F175-V182 HydrophobicContact CB-CB 4.45Å; F175-V182 HydrophobicContact CB-CG2 4.12Å; F175-V182 HydrophobicContact CD1-CG1 4.14Å; F175-V182 HydrophobicContact CD1-CG2 4.25Å; F175-V182 HydrophobicContact CD2-CG1 4.03Å; F175-V182 HydrophobicContact CE1-CG1 4.34Å; F175-V182 HydrophobicContact CE2-CG1 4.24Å; F175-V182 HydrophobicContact CG-CB 4.39Å; F175-V182 HydrophobicContact CG-CG1 3.99Å; F175-V182 HydrophobicContact CG-CG2 4.22Å; F175-V182 HydrophobicContact CZ-CG1 4.39Å; L178-V182 HydrophobicContact CD1-CG2 4.05Å; V182-N197 PolarHBondContact N-O 2.8Å; V182-V198 HydrophobicContact CB-CG2 4.33Å; V182-V198 CarbonylContact O-C 3.43Å; V182-V198 WeakPolarHBondContact O-CA 3.44Å; V182-L199 PolarHBondContact O-N 3.19Å
183I97.6Very high96.4Very high0 Ų050.5 Ų50.50%028%0.28CS..EExtended strand (participates in β ladder)trans-99114.5170.2-63.3172.1000107.5F136 F139 V140 F149 I150 I151 F152 L199 V204 L209F136-I183 HydrophobicContact CD1-CD1 4.17Å; F136-I183 HydrophobicContact CD1-CG2 4.18Å; F136-I183 HydrophobicContact CE1-CG2 3.74Å; F139-I183 HydrophobicContact CD1-CD1 4.37Å; F139-I183 HydrophobicContact CD1-CG1 3.86Å; F139-I183 HydrophobicContact CE1-CG1 3.89Å; V140-I183 HydrophobicContact CG1-CD1 3.6Å; F149-I183 HydrophobicContact CD2-CD1 4.09Å; F149-I183 HydrophobicContact CE2-CD1 4.34Å; I150-I183 PolarHBondContact O-N 2.88Å; I151-I183 CarbonylContact C-O 3.54Å; I151-I183 WeakPolarHBondContact CA-O 3.32Å; F152-I183 PolarHBondContact N-O 3.3Å; I183-L199 CarbonylContact C-O 3.44Å; I183-L199 WeakPolarHBondContact CA-O 3.28Å; I183-V204 HydrophobicContact CG2-CB 4.49Å; I183-V204 HydrophobicContact CG2-CG1 3.79Å; I183-V204 HydrophobicContact CG2-CG2 3.79Å; I183-L209 HydrophobicContact CD1-CD1 3.77Å; I183-L209 HydrophobicContact CD1-CD2 3.83Å; I183-L209 HydrophobicContact CD1-CG 4.44Å; I183-L209 HydrophobicContact CG2-CD1 4.24Å
184W97.9Very high96.3Very high0 Ų048.3 Ų48.30%027%0.272CS..EExtended strand (participates in β ladder)trans-112.8116.8-175-178.39.3000111F152 W160 V168 F171 V172 F175 Y186 I191 V198 L199 V200 D201F152-W184 HydrophobicContact CD1-CB 4.48Å; F152-W184 AromaticContact CD1-CD1 3.18Å; F152-W184 HydrophobicContact CD1-CD2 4.06Å; F152-W184 AromaticContact CD1-CE2 3.81Å; F152-W184 AromaticContact CD1-CG 3.7Å; F152-W184 HydrophobicContact CD1-CG 3.7Å; F152-W184 AromaticContact CD1-NE1 3.29Å; F152-W184 VanDerWaalsContact CD1-NE1 3.29Å; F152-W184 AromaticContact CE1-CD1 3.75Å; F152-W184 HydrophobicContact CE1-CD2 4.43Å; F152-W184 AromaticContact CE1-CE2 3.74Å; F152-W184 HydrophobicContact CE1-CG 4.43Å; F152-W184 HydrophobicContact CE1-CZ2 4.2Å; F152-W184 AromaticContact CE1-NE1 3.32Å; F152-W184 VanDerWaalsContact CE1-NE1 3.32Å; F152-W184 AromaticContact CG-CD1 3.94Å; W160-W184 HydrophobicContact CD2-CZ2 4.19Å; W160-W184 AromaticContact CE2-NE1 3.4Å; W160-W184 AromaticContact CE3-CZ2 3.88Å; W160-W184 HydrophobicContact CE3-CZ2 3.88Å; W160-W184 AromaticContact CH2-CZ2 3.61Å; W160-W184 HydrophobicContact CH2-CZ2 3.61Å; W160-W184 AromaticContact CH2-NE1 3.81Å; W160-W184 AromaticContact CZ2-CE2 3.86Å; W160-W184 AromaticContact CZ2-CZ2 3.91Å; W160-W184 HydrophobicContact CZ2-CZ2 3.91Å; W160-W184 AromaticContact CZ2-NE1 3.2Å; W160-W184 AromaticContact CZ3-CZ2 3.6Å; W160-W184 HydrophobicContact CZ3-CZ2 3.6Å; W160-W184 AromaticContact NE1-NE1 3.78Å; V168-W184 HydrophobicContact CG1-CH2 3.98Å; F171-W184 HydrophobicContact CB-CH2 3.66Å; F171-W184 HydrophobicContact CB-CZ2 4.07Å; F171-W184 HydrophobicContact CB-CZ3 4.24Å; F171-W184 HydrophobicContact CG-CZ2 4.47Å; V172-W184 HydrophobicContact CG2-CH2 4.38Å; V172-W184 HydrophobicContact CG2-CZ3 3.87Å; F175-W184 HydrophobicContact CD2-CD2 4.44Å; F175-W184 AromaticContact CD2-CE3 3.93Å; F175-W184 HydrophobicContact CD2-CE3 3.93Å; F175-W184 HydrophobicContact CD2-CZ3 4.25Å; F175-W184 AromaticContact CE2-CD2 3.85Å; F175-W184 HydrophobicContact CE2-CD2 3.85Å; F175-W184 AromaticContact CE2-CE3 3.76Å; F175-W184 HydrophobicContact CE2-CE3 3.76Å; F175-W184 HydrophobicContact CE2-CG 4.27Å; F175-W184 HydrophobicContact CE2-CZ3 4.14Å; W184-Y186 HydrophobicContact CD2-CD2 4.34Å; W184-Y186 AromaticContact CE2-CD2 3.73Å; W184-Y186 HydrophobicContact CH2-CD2 4.1Å; W184-Y186 HydrophobicContact CH2-CE2 4.31Å; W184-Y186 AromaticContact CZ2-CD2 3.6Å; W184-Y186 HydrophobicContact CZ2-CD2 3.6Å; W184-Y186 HydrophobicContact CZ2-CE2 4.1Å; W184-Y186 PolarHBondContact O-N 3.04Å; W184-I191 HydrophobicContact CE3-CD1 4.47Å; W184-I191 HydrophobicContact CH2-CD1 4.18Å; W184-I191 HydrophobicContact CZ3-CD1 3.8Å; W184-V198 HydrophobicContact CB-CG1 4.39Å; W184-V198 HydrophobicContact CE3-CG1 4.28Å; W184-L199 PolarHBondContact N-O 3.12Å; W184-V200 HydrophobicContact CB-CG1 4.26Å; W184-V200 HydrophobicContact CD2-CG1 4.45Å; W184-V200 HydrophobicContact CE3-CG1 4.09Å; W184-V200 WeakPolarHBondContact O-CA 3.47Å; W184-D201 PolarHBondContact O-N 3.48Å; W184-D201 VanDerWaalsContact O-N 3.15Å
185Q96.6Very high96.3Very high15 Ų1548.5 Ų48.57%0.0727%0.273CS..EExtended strand (participates in β ladder)trans-69.3107.5167.6-173.7177.9-26.200109.8F152 S153 G155 W160 D201 V204F152-Q185 PolarHBondContact O-N 3.15Å; S153-Q185 PolarHBondContact OG-OE1 3.4Å; G155-Q185 PolarHBondContact O-NE2 3.2Å; W160-Q185 PolarHBondContact NE1-O 3.27Å; Q185-D201 CarbonylContact C-O 3.53Å; Q185-D201 VanDerWaalsContact CA-O 3.3Å; Q185-D201 WeakPolarHBondContact CA-O 3.24Å; Q185-V204 HydrophobicContact CB-CB 4.31Å; Q185-V204 HydrophobicContact CB-CG2 3.66Å; Q185-V204 HydrophobicContact CG-CG2 4.28Å
186Y97Very high96.1Very high20 Ų2053.8 Ų53.88%0.07831%0.31CS..  trans-143.4121.7-171.2-179.1-90000110.9W160 V168 W184 G188 K189 I191 D201 S202W160-Y186 HydrophobicContact CB-CD2 3.64Å; W160-Y186 HydrophobicContact CB-CE2 3.57Å; W160-Y186 HydrophobicContact CB-CG 4.37Å; W160-Y186 AromaticContact CD2-CD2 3.74Å; W160-Y186 HydrophobicContact CD2-CD2 3.74Å; W160-Y186 HydrophobicContact CD2-CE2 4.08Å; W160-Y186 HydrophobicContact CE3-CD2 4.12Å; W160-Y186 HydrophobicContact CE3-CE2 4.1Å; W160-Y186 AromaticContact CG-CD2 3.54Å; W160-Y186 HydrophobicContact CG-CD2 3.54Å; W160-Y186 AromaticContact CG-CE2 3.91Å; W160-Y186 HydrophobicContact CG-CE2 3.91Å; W160-Y186 HydrophobicContact CG-CG 4.34Å; V168-Y186 HydrophobicContact CG1-CE2 3.96Å; V168-Y186 HydrophobicContact CG2-CE2 4.28Å; W184-Y186 HydrophobicContact CD2-CD2 4.34Å; W184-Y186 AromaticContact CE2-CD2 3.73Å; W184-Y186 HydrophobicContact CH2-CD2 4.1Å; W184-Y186 HydrophobicContact CH2-CE2 4.31Å; W184-Y186 AromaticContact CZ2-CD2 3.6Å; W184-Y186 HydrophobicContact CZ2-CD2 3.6Å; W184-Y186 HydrophobicContact CZ2-CE2 4.1Å; W184-Y186 PolarHBondContact O-N 3.04Å; Y186-G188 VanDerWaalsContact CE1-N 3.28Å; Y186-G188 VanDerWaalsContact CZ-CA 3.43Å; Y186-G188 WeakPolarHBondContact OH-CA 3.4Å; Y186-K189 WeakPolarHBondContact CE1-O 3.49Å; Y186-K189 PolarHBondContact OH-N 3.38Å; Y186-K189 PolarHBondContact OH-O 2.98Å; Y186-I191 HydrophobicContact CD1-CD1 4.41Å; Y186-I191 HydrophobicContact CD2-CD1 4.42Å; Y186-I191 HydrophobicContact CE1-CD1 4.08Å; Y186-I191 HydrophobicContact CE1-CG1 4.12Å; Y186-I191 HydrophobicContact CE2-CD1 4.07Å; Y186-D201 PolarHBondContact N-O 2.78Å; Y186-D201 CarbonylContact O-C 3.53Å; Y186-S202 WeakPolarHBondContact O-CA 3.42Å; Y186-S202 PolarHBondContact O-N 3.14Å
187D94.7Very high96.1Very high89 Ų8948.8 Ų48.848%0.47629%0.293SS..  trans-116.819.6-179.170.2-23.4000112.7W160W160-D187 VanDerWaalsContact CB-OD1 3.28Å; W160-D187 WeakPolarHBondContact CB-OD1 3.36Å; W160-D187 PolarHBondContact N-OD1 3.29Å
188G95Very high96.1Very high21 Ų2146.7 Ų46.722%0.21628%0.275CS..SBendtrans-90.9-163.4-177.400000114.5Y186Y186-G188 VanDerWaalsContact CE1-N 3.28Å; Y186-G188 VanDerWaalsContact CZ-CA 3.43Å; Y186-G188 WeakPolarHBondContact OH-CA 3.4Å
189K94.6Very high96.1Very high117 Ų11747.6 Ų47.651%0.50928%0.28SS..SBendtrans-63.6147.9177.4-59.9174.2-167.8158.50110.5D165 Y186 I191D165-K189 IonicContact OD1-NZ 3.12Å; D165-K189 PolarHBondContact OD1-NZ 3.31Å; D165-K189 VanDerWaalsContact OD1-NZ 3.14Å; D165-K189 IonicContact OD2-NZ 3.99Å; D165-K189 PolarHBondContact OD2-NZ 2.78Å; Y186-K189 WeakPolarHBondContact CE1-O 3.49Å; Y186-K189 PolarHBondContact OH-N 3.38Å; Y186-K189 PolarHBondContact OH-O 2.98Å; K189-I191 PolarHBondContact O-N 3.1Å
190P94.3Very high96.1Very high132 Ų13245.8 Ų45.886%0.85727%0.267SS*.  trans-52.3130.4173.6-26.134.8000112.3
191I95.1Very high95.9Very high33 Ų3346.3 Ų46.317%0.16927%0.27CS..  trans-91.4112.4177.6-57.6172.2000107.6V168 V172 W184 Y186 K189 D193 L194V168-I191 HydrophobicContact CG1-CD1 3.82Å; V168-I191 HydrophobicContact CG1-CG1 4.12Å; V172-I191 HydrophobicContact CG2-CD1 4.07Å; V172-I191 HydrophobicContact CG2-CG2 3.86Å; W184-I191 HydrophobicContact CE3-CD1 4.47Å; W184-I191 HydrophobicContact CH2-CD1 4.18Å; W184-I191 HydrophobicContact CZ3-CD1 3.8Å; Y186-I191 HydrophobicContact CD1-CD1 4.41Å; Y186-I191 HydrophobicContact CD2-CD1 4.42Å; Y186-I191 HydrophobicContact CE1-CD1 4.08Å; Y186-I191 HydrophobicContact CE1-CG1 4.12Å; Y186-I191 HydrophobicContact CE2-CD1 4.07Å; K189-I191 PolarHBondContact O-N 3.1Å; I191-D193 WeakPolarHBondContact CG2-OD1 3.3Å; I191-L194 HydrophobicContact CB-CB 4.47Å; I191-L194 HydrophobicContact CB-CD1 4.38Å; I191-L194 HydrophobicContact CD1-CD1 4.17Å; I191-L194 HydrophobicContact CG2-CB 4.25Å; I191-L194 HydrophobicContact CG2-CD1 4.23Å
192S90.2Very high95.6Very high126 Ų12647.3 Ų47.388%0.88128%0.282SS*.THydrogen-bonded Turntrans-72.4-29.5-174.847.70000113.7
193D92.5Very high95.1Very high87 Ų8752.3 Ų52.347%0.46530%0.302SS..THydrogen-bonded Turntrans-107.432.7-175.768.9-42000112.7R176 I191 P195R176-D193 PolarHBondContact NH2-O 2.9Å; I191-D193 WeakPolarHBondContact CG2-OD1 3.3Å; D193-P195 WeakPolarHBondContact O-CD 3.5Å
194L96.4Very high94.8Very high58 Ų5852.4 Ų52.430%0.30430%0.302SS..  trans-62.3124.4-177.8-166.571.4000111.7I191 V198 V200I191-L194 HydrophobicContact CB-CB 4.47Å; I191-L194 HydrophobicContact CB-CD1 4.38Å; I191-L194 HydrophobicContact CD1-CD1 4.17Å; I191-L194 HydrophobicContact CG2-CB 4.25Å; I191-L194 HydrophobicContact CG2-CD1 4.23Å; L194-V198 HydrophobicContact CD1-CB 4.05Å; L194-V198 HydrophobicContact CD1-CG1 3.83Å; L194-V198 HydrophobicContact CG-CB 4.27Å; L194-V198 HydrophobicContact CG-CG1 4.47Å; L194-V200 HydrophobicContact CD1-CG1 3.89Å; L194-V200 HydrophobicContact CD2-CB 4.48Å; L194-V200 HydrophobicContact CD2-CG1 4Å; L194-V200 HydrophobicContact CD2-CG2 3.81Å
195P97Very high94.3Very high5 Ų553.5 Ų53.53%0.03231%0.309CS..  trans-65.5149178.1-18.629.3000112.5V172 R176 D193 N197 V198V172-P195 HydrophobicContact CG1-CG 4.09Å; R176-P195 HydrophobicContact CB-CB 4.19Å; R176-P195 HydrophobicContact CB-CG 3.66Å; R176-P195 HydrophobicContact CG-CB 4.24Å; R176-P195 HydrophobicContact CG-CG 4.08Å; D193-P195 WeakPolarHBondContact O-CD 3.5Å; P195-N197 WeakPolarHBondContact CB-OD1 3.46Å; P195-N197 PolarHBondContact O-N 3.2Å; P195-N197 VanDerWaalsContact O-N 3.14Å; P195-V198 HydrophobicContact CB-CG2 4.08Å; P195-V198 HydrophobicContact CG-CG2 4.07Å; P195-V198 PolarHBondContact O-N 3.39Å
196S96.1Very high94Very high111 Ų11153.4 Ų53.478%0.77631%0.309SS*.THydrogen-bonded Turntrans-67.6-13.4-179.862.10000114.7K181 V198K181-S196 PolarHBondContact NZ-O 3.45Å; K181-S196 VanDerWaalsContact NZ-O 3.13Å; S196-V198 VanDerWaalsContact C-N 3.35Å
197N97.7Very high93.6Very high24 Ų2453.4 Ų53.413%0.12831%0.309CS..THydrogen-bonded Turntrans-89.73.4171.573.3-52.3000113.2F139 F175 L178 N180 K181 V182 P195F139-N197 WeakPolarHBondContact CZ-O 3.46Å; F175-N197 PolarHBondContact O-ND2 2.93Å; L178-N197 PolarHBondContact O-ND2 3.28Å; N180-N197 PolarHBondContact O-ND2 3.5Å; K181-N197 CarbonylContact C-O 3.48Å; K181-N197 WeakPolarHBondContact CA-O 3.14Å; K181-N197 HydrophobicContact CD-CB 4.03Å; V182-N197 PolarHBondContact N-O 2.8Å; P195-N197 WeakPolarHBondContact CB-OD1 3.46Å; P195-N197 PolarHBondContact O-N 3.2Å; P195-N197 VanDerWaalsContact O-N 3.14Å
198V98.1Very high93.3Very high8 Ų849.5 Ų49.55%0.04829%0.288CS..EExtended strand (participates in β ladder)trans-117.4128.9179.2-173.10000110.5F175 V182 W184 L194 P195 S196 V200F175-V198 HydrophobicContact CB-CG2 3.6Å; V182-V198 HydrophobicContact CB-CG2 4.33Å; V182-V198 CarbonylContact O-C 3.43Å; V182-V198 WeakPolarHBondContact O-CA 3.44Å; W184-V198 HydrophobicContact CB-CG1 4.39Å; W184-V198 HydrophobicContact CE3-CG1 4.28Å; L194-V198 HydrophobicContact CD1-CB 4.05Å; L194-V198 HydrophobicContact CD1-CG1 3.83Å; L194-V198 HydrophobicContact CG-CB 4.27Å; L194-V198 HydrophobicContact CG-CG1 4.47Å; P195-V198 HydrophobicContact CB-CG2 4.08Å; P195-V198 HydrophobicContact CG-CG2 4.07Å; P195-V198 PolarHBondContact O-N 3.39Å; S196-V198 VanDerWaalsContact C-N 3.35Å; V198-V200 HydrophobicContact CG1-CG1 4.36Å
199L97.2Very high92.9Very high26 Ų2648.5 Ų48.514%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-111.8125.2171.4-175.565.8000108.9K135 F136 F139 V182 I183 W184K135-L199 HydrophobicContact CD-CD1 4.45Å; K135-L199 HydrophobicContact CG-CD1 4.35Å; K135-L199 HydrophobicContact CG-CD2 4.29Å; F136-L199 HydrophobicContact CD1-CD2 3.69Å; F136-L199 HydrophobicContact CE1-CD2 3.89Å; F139-L199 HydrophobicContact CB-CD2 3.84Å; F139-L199 HydrophobicContact CD1-CB 3.71Å; F139-L199 HydrophobicContact CD1-CD2 3.89Å; F139-L199 HydrophobicContact CD1-CG 4.43Å; F139-L199 HydrophobicContact CD2-CB 3.98Å; F139-L199 HydrophobicContact CD2-CD2 4.39Å; F139-L199 HydrophobicContact CE1-CB 3.49Å; F139-L199 VanDerWaalsContact CE1-CB 3.49Å; F139-L199 HydrophobicContact CE2-CB 3.79Å; F139-L199 HydrophobicContact CG-CB 3.93Å; F139-L199 HydrophobicContact CG-CD2 3.8Å; F139-L199 HydrophobicContact CG-CG 4.36Å; F139-L199 HydrophobicContact CZ-CB 3.52Å; V182-L199 PolarHBondContact O-N 3.19Å; I183-L199 CarbonylContact C-O 3.44Å; I183-L199 WeakPolarHBondContact CA-O 3.28Å; W184-L199 PolarHBondContact N-O 3.12Å
200V96.5Very high92.7Very high40 Ų4042.9 Ų42.924%0.24225%0.254CS..EExtended strand (participates in β ladder)trans-104.2143.4174.6-63.60000111.4K135 W184 L194 V198K135-V200 PolarHBondContact NZ-O 2.77Å; W184-V200 HydrophobicContact CB-CG1 4.26Å; W184-V200 HydrophobicContact CD2-CG1 4.45Å; W184-V200 HydrophobicContact CE3-CG1 4.09Å; W184-V200 WeakPolarHBondContact O-CA 3.47Å; L194-V200 HydrophobicContact CD1-CG1 3.89Å; L194-V200 HydrophobicContact CD2-CB 4.48Å; L194-V200 HydrophobicContact CD2-CG1 4Å; L194-V200 HydrophobicContact CD2-CG2 3.81Å; V198-V200 HydrophobicContact CG1-CG1 4.36Å
201D93.2Very high92Very high15 Ų1538 Ų388%0.0822%0.22CC..EExtended strand (participates in β ladder)trans-152.8148167.6-149.1-63.2000110.8R132 K135 F136 W184 Q185 Y186 W203R132-D201 IonicContact CZ-OD1 2.76Å; R132-D201 IonicContact CZ-OD2 3.76Å; R132-D201 IonicContact NH1-OD1 2.95Å; R132-D201 PolarHBondContact NH1-OD1 3.44Å; R132-D201 IonicContact NH2-OD1 3.74Å; R132-D201 PolarHBondContact NH2-OD1 3.26Å; R132-D201 IonicContact NH2-OD2 2.74Å; K135-D201 IonicContact NZ-OD2 3.13Å; K135-D201 PolarHBondContact NZ-OD2 3.39Å; F136-D201 HydrophobicContact CE1-CB 4.37Å; F136-D201 HydrophobicContact CZ-CB 3.72Å; W184-D201 PolarHBondContact O-N 3.48Å; W184-D201 VanDerWaalsContact O-N 3.15Å; Q185-D201 CarbonylContact C-O 3.53Å; Q185-D201 VanDerWaalsContact CA-O 3.3Å; Q185-D201 WeakPolarHBondContact CA-O 3.24Å; Y186-D201 PolarHBondContact N-O 2.78Å; Y186-D201 CarbonylContact O-C 3.53Å; D201-W203 PolarHBondContact O-N 3.28Å; D201-W203 PolarHBondContact OD1-N 3.35Å
202S92Very high90.1Very high66 Ų6638.6 Ų38.646%0.46222%0.224SC..SBendtrans-60.5-32.2176.358.40000113.2Y186Y186-S202 WeakPolarHBondContact O-CA 3.42Å; Y186-S202 PolarHBondContact O-N 3.14Å
203W88.6Confident88.2Confident106 Ų10636.7 Ų36.740%0.40220%0.198SC..SBendtrans-141121.6178.8-168.2-102.2000110.5R132 F156 D201R132-W203 PolarHBondContact NH2-O 2.87Å; R132-W203 VanDerWaalsContact NH2-O 3.13Å; F156-W203 HydrophobicContact CD1-CZ3 4.35Å; F156-W203 HydrophobicContact CE1-CE3 4.36Å; F156-W203 HydrophobicContact CE1-CH2 4.13Å; F156-W203 AromaticContact CE1-CZ3 3.53Å; F156-W203 HydrophobicContact CE1-CZ3 3.53Å; F156-W203 AromaticContact CE2-CH2 3.6Å; F156-W203 HydrophobicContact CE2-CH2 3.6Å; F156-W203 AromaticContact CE2-CZ3 3.78Å; F156-W203 HydrophobicContact CE2-CZ3 3.78Å; F156-W203 HydrophobicContact CZ-CE3 4.28Å; F156-W203 AromaticContact CZ-CH2 3.31Å; F156-W203 HydrophobicContact CZ-CH2 3.31Å; F156-W203 HydrophobicContact CZ-CZ2 4.46Å; F156-W203 AromaticContact CZ-CZ3 3.2Å; F156-W203 HydrophobicContact CZ-CZ3 3.2Å; D201-W203 PolarHBondContact O-N 3.28Å; D201-W203 PolarHBondContact OD1-N 3.35Å
204V90Very high85.9Confident2 Ų241.6 Ų41.61%0.01222%0.218CC..  trans-99.8126.1-178.4174.70000108.2I151 I183 Q185 Q206 L209I151-V204 HydrophobicContact CG2-CG1 4.16Å; I183-V204 HydrophobicContact CG2-CB 4.49Å; I183-V204 HydrophobicContact CG2-CG1 3.79Å; I183-V204 HydrophobicContact CG2-CG2 3.79Å; Q185-V204 HydrophobicContact CB-CB 4.31Å; Q185-V204 HydrophobicContact CB-CG2 3.66Å; Q185-V204 HydrophobicContact CG-CG2 4.28Å; V204-Q206 PolarHBondContact O-N 3.41Å; V204-L209 HydrophobicContact CG1-CD1 3.38Å
205P88.4Confident83.4Confident22 Ų2245.2 Ų45.214%0.14323%0.233CC..  trans-72.673.7174.731.8-34.4000109.5F136 Q207 D208 L209F136-P205 HydrophobicContact CD2-CG 3.94Å; F136-P205 HydrophobicContact CE2-CG 4.02Å; F136-P205 HydrophobicContact CG-CG 4.48Å; P205-Q207 PolarHBondContact O-N 3.31Å; P205-D208 HydrophobicContact CB-CB 4.3Å; P205-D208 PolarHBondContact O-N 3.32Å; P205-L209 HydrophobicContact CG-CD1 4.24Å; P205-L209 HydrophobicContact CG-CG 4.35Å; P205-L209 WeakPolarHBondContact O-CG 3.31Å; P205-L209 PolarHBondContact O-N 3.11Å
206Q90.7Very high80.7Confident14 Ų1456.2 Ų56.27%0.06527%0.274CS..Hα-helixtrans-58.8-52.4-165.8-179.3172.6-80.400112.2S153 V204 D208 L209 L210 E240S153-Q206 VanDerWaalsContact CB-OE1 3.24Å; V204-Q206 PolarHBondContact O-N 3.41Å; Q206-D208 VanDerWaalsContact C-N 3.3Å; Q206-D208 PolarHBondContact O-N 3.35Å; Q206-L209 PolarHBondContact O-N 3.06Å; Q206-L210 HydrophobicContact CG-CD1 3.73Å; Q206-L210 HydrophobicContact CG-CG 4.11Å; Q206-L210 WeakPolarHBondContact O-CB 3.45Å; Q206-L210 VanDerWaalsContact O-CG 3.23Å; Q206-L210 WeakPolarHBondContact O-CG 3.44Å; Q206-L210 PolarHBondContact O-N 3.47Å; Q206-E240 PolarHBondContact NE2-OE2 2.87Å
207Q88.5Confident78.1Confident20 Ų2055.5 Ų55.59%0.09327%0.269CS..Hα-helixtrans-59.9-41.8-179.2-67.5-166.244.600112.2H108 R110 P205 L209 L210 D211 E240H108-Q207 PolarHBondContact O-NE2 3.47Å; H108-Q207 PolarHBondContact O-OE1 3.49Å; R110-Q207 PolarHBondContact O-OE1 3.14Å; P205-Q207 PolarHBondContact O-N 3.31Å; Q207-L209 PolarHBondContact O-N 3.09Å; Q207-L210 PolarHBondContact O-N 3.11Å; Q207-D211 WeakPolarHBondContact O-CB 3.29Å; Q207-D211 PolarHBondContact O-N 2.95Å; Q207-E240 HydrophobicContact CG-CB 4.37Å; Q207-E240 HydrophobicContact CG-CG 3.78Å; Q207-E240 WeakPolarHBondContact CG-OE1 3.42Å; Q207-E240 PolarHBondContact NE2-OE1 3.43Å
208D86.6Confident75.3Confident6 Ų658.6 Ų58.63%0.03229%0.289CS..Hα-helixtrans-63.7-44.9177.7-55.7-70.8000110R110 A112 Q113 F133 P205 Q206 L210 D211 L212R110-D208 IonicContact CZ-OD1 3.14Å; R110-D208 IonicContact CZ-OD2 3.35Å; R110-D208 IonicContact NH1-OD1 3.6Å; R110-D208 PolarHBondContact NH1-OD1 3.33Å; R110-D208 IonicContact NH1-OD2 3.57Å; R110-D208 IonicContact NH2-OD1 3.75Å; R110-D208 IonicContact NH2-OD2 3.39Å; R110-D208 PolarHBondContact NH2-OD2 3.07Å; A112-D208 WeakPolarHBondContact CA-OD1 3.19Å; Q113-D208 PolarHBondContact N-OD1 2.94Å; Q113-D208 VanDerWaalsContact N-OD1 3.13Å; F133-D208 HydrophobicContact CE1-CB 4.31Å; P205-D208 HydrophobicContact CB-CB 4.3Å; P205-D208 PolarHBondContact O-N 3.32Å; Q206-D208 VanDerWaalsContact C-N 3.3Å; Q206-D208 PolarHBondContact O-N 3.35Å; D208-L210 VanDerWaalsContact C-N 3.33Å; D208-L210 PolarHBondContact O-N 2.88Å; D208-D211 PolarHBondContact O-N 3.41Å; D208-D211 VanDerWaalsContact O-N 3.15Å; D208-L212 WeakPolarHBondContact O-CA 3.28Å; D208-L212 VanDerWaalsContact O-CB 3.23Å; D208-L212 WeakPolarHBondContact O-CB 3.18Å; D208-L212 WeakPolarHBondContact O-CG 3.45Å; D208-L212 PolarHBondContact O-N 2.86Å
209L88.5Confident72.6Confident0 Ų066.6 Ų66.60%032%0.323CS..Hα-helixtrans-66.4-30.5175.6-72.7167.7000114.4F136 V140 F149 I151 I183 V204 P205 Q206 Q207 D211 L212 H223F136-L209 HydrophobicContact CB-CD2 4.24Å; F136-L209 HydrophobicContact CD1-CD1 4.19Å; V140-L209 HydrophobicContact CG1-CD2 3.91Å; F149-L209 WeakPolarHBondContact CZ-O 3.45Å; I151-L209 HydrophobicContact CD1-CB 3.62Å; I151-L209 HydrophobicContact CD1-CD1 4.43Å; I183-L209 HydrophobicContact CD1-CD1 3.77Å; I183-L209 HydrophobicContact CD1-CD2 3.83Å; I183-L209 HydrophobicContact CD1-CG 4.44Å; I183-L209 HydrophobicContact CG2-CD1 4.24Å; V204-L209 HydrophobicContact CG1-CD1 3.38Å; P205-L209 HydrophobicContact CG-CD1 4.24Å; P205-L209 HydrophobicContact CG-CG 4.35Å; P205-L209 WeakPolarHBondContact O-CG 3.31Å; P205-L209 PolarHBondContact O-N 3.11Å; Q206-L209 PolarHBondContact O-N 3.06Å; Q207-L209 PolarHBondContact O-N 3.09Å; L209-D211 VanDerWaalsContact C-N 3.31Å; L209-L212 HydrophobicContact CD2-CD1 4.03Å; L209-H223 WeakPolarHBondContact O-CB 3.47Å
210L90.2Very high70Confident0 Ų074 Ų740%035%0.349CS..Hα-helixtrans-71.3-28.7174.4-70.9173.5000111.4I151 Q206 Q207 D208 G222 H223 E240 H244 V246I151-L210 HydrophobicContact CD1-CD2 3.91Å; I151-L210 HydrophobicContact CD1-CG 4.1Å; Q206-L210 HydrophobicContact CG-CD1 3.73Å; Q206-L210 HydrophobicContact CG-CG 4.11Å; Q206-L210 WeakPolarHBondContact O-CB 3.45Å; Q206-L210 VanDerWaalsContact O-CG 3.23Å; Q206-L210 WeakPolarHBondContact O-CG 3.44Å; Q206-L210 PolarHBondContact O-N 3.47Å; Q207-L210 PolarHBondContact O-N 3.11Å; D208-L210 VanDerWaalsContact C-N 3.33Å; D208-L210 PolarHBondContact O-N 2.88Å; L210-G222 CarbonylContact O-C 3.56Å; L210-G222 WeakPolarHBondContact O-CA 3.36Å; L210-H223 PolarHBondContact O-N 3.43Å; L210-E240 HydrophobicContact CD1-CB 4.12Å; L210-H244 HydrophobicContact CB-CB 3.81Å; L210-V246 HydrophobicContact CD2-CB 3.85Å; L210-V246 HydrophobicContact CD2-CG1 3.87Å; L210-V246 HydrophobicContact CD2-CG2 3.74Å
211D79.3Confident68.2Low29 Ų2974.3 Ų74.316%0.15535%0.35CS..Hα-helixtrans-101-30.5-174.8-157.356.3000115.1K111 A112 Q207 D208 L209 Y213 H244K111-D211 VanDerWaalsContact CA-OD2 3.29Å; K111-D211 WeakPolarHBondContact CA-OD2 3.32Å; K111-D211 WeakPolarHBondContact CB-OD2 2.97Å; A112-D211 HydrophobicContact CB-CB 3.95Å; A112-D211 PolarHBondContact N-OD2 3.28Å; Q207-D211 WeakPolarHBondContact O-CB 3.29Å; Q207-D211 PolarHBondContact O-N 2.95Å; D208-D211 PolarHBondContact O-N 3.41Å; D208-D211 VanDerWaalsContact O-N 3.15Å; L209-D211 VanDerWaalsContact C-N 3.31Å; D211-Y213 PolarHBondContact O-N 3.46Å; D211-H244 IonicContact OD1-CE1 3.88Å; D211-H244 IonicContact OD1-ND1 3.18Å; D211-H244 PolarHBondContact OD1-ND1 2.95Å
212L55.1Low66.5Low45 Ų4573.9 Ų73.924%0.23635%0.349CS..  trans-44.2119.4-164.1-96.7164.6000114.5D208 L209 H223D208-L212 WeakPolarHBondContact O-CA 3.28Å; D208-L212 VanDerWaalsContact O-CB 3.23Å; D208-L212 WeakPolarHBondContact O-CB 3.18Å; D208-L212 WeakPolarHBondContact O-CG 3.45Å; D208-L212 PolarHBondContact O-N 2.86Å; L209-L212 HydrophobicContact CD2-CD1 4.03Å; L212-H223 HydrophobicContact CB-CB 4.36Å; L212-H223 WeakPolarHBondContact O-CA 3.28Å; L212-H223 WeakPolarHBondContact O-CB 3.47Å; L212-H223 PolarHBondContact O-CD2 3.43Å; L212-H223 PolarHBondContact O-ND1 3.1Å
213Y50.4Low65.8Low87 Ų8771.7 Ų71.734%0.34133%0.331SS..  trans-131.3141.2177.9-158.7-89.8000111.1D211 E215 R220 P224D211-Y213 PolarHBondContact O-N 3.46Å; Y213-E215 VanDerWaalsContact CD1-C 3.44Å; Y213-E215 HydrophobicContact CD1-CB 4.17Å; Y213-E215 WeakPolarHBondContact CD1-O 3.2Å; Y213-E215 HydrophobicContact CE1-CB 3.56Å; Y213-E215 VanDerWaalsContact CE1-N 3.29Å; Y213-E215 WeakPolarHBondContact CE1-O 3.45Å; Y213-R220 HydrophobicContact CD2-CB 4.49Å; Y213-R220 HydrophobicContact CE2-CB 4Å; Y213-P224 HydrophobicContact CD2-CG 4.11Å; Y213-P224 HydrophobicContact CE2-CG 4.09Å
214E43.6Very low65.5Low190 Ų19070 Ų7089%0.88833%0.334SS*.SBendtrans-86.9-21-177.9-117.9176.1163.400113.8
215E43.5Very low65.6Low133 Ų13371.8 Ų71.862%0.62134%0.342SS*.  trans-129.1104.5-175.5-113.1178.5170.200114.2Y213 S217Y213-E215 VanDerWaalsContact CD1-C 3.44Å; Y213-E215 HydrophobicContact CD1-CB 4.17Å; Y213-E215 WeakPolarHBondContact CD1-O 3.2Å; Y213-E215 HydrophobicContact CE1-CB 3.56Å; Y213-E215 VanDerWaalsContact CE1-N 3.29Å; Y213-E215 WeakPolarHBondContact CE1-O 3.45Å; E215-S217 PolarHBondContact O-N 3.09Å
216R41.2Very low65.9Low236 Ų23670.8 Ų70.889%0.89134%0.335SS*.THydrogen-bonded Turntrans-65.211.9-173.6-75.9-176.1175.3-174.31.1117.2
217S40.3Very low66.1Low97 Ų9773.2 Ų73.268%0.67834%0.344SS*.THydrogen-bonded Turntrans-101.5-6.8-167.2640000116.7E215E215-S217 PolarHBondContact O-N 3.09Å
218T40.5Very low66.5Low89 Ų8972.2 Ų72.255%0.54634%0.339SS..SBendtrans-138.8137.3-179.5-40.30000111.5R220T218-R220 PolarHBondContact O-N 2.93Å
219F40.5Very low67Low175 Ų17572 Ų7277%0.76834%0.338SS*.  trans-54.660.9178.7-171.7-97.2000113.8L221F219-L221 HydrophobicContact CD1-CD1 4.45Å; F219-L221 HydrophobicContact CD1-CD2 4.44Å; F219-L221 HydrophobicContact CE1-CD1 4.41Å; F219-L221 HydrophobicContact CE1-CD2 4.1Å
220R43.1Very low67.5Low181 Ų18172 Ų7268%0.68334%0.338SS*.  trans-110.2145.2-178.8-71.8-165176.8-168.71.8111.9Y213 T218Y213-R220 HydrophobicContact CD2-CB 4.49Å; Y213-R220 HydrophobicContact CE2-CB 4Å; T218-R220 PolarHBondContact O-N 2.93Å
221L57.9Low67.9Low48 Ų4872 Ų7225%0.25134%0.338SS..  trans-120.176.7-136.5-72.5155.3000109.5F219 M304F219-L221 HydrophobicContact CD1-CD1 4.45Å; F219-L221 HydrophobicContact CD1-CD2 4.44Å; F219-L221 HydrophobicContact CE1-CD1 4.41Å; F219-L221 HydrophobicContact CE1-CD2 4.1Å; L221-M304 HydrophobicContact CB-CE 3.52Å; L221-M304 HydrophobicContact CB-SD 3.61Å; L221-M304 HydrophobicContact CD1-CE 3.67Å; L221-M304 HydrophobicContact CD2-CE 3.35Å; L221-M304 HydrophobicContact CD2-SD 3.58Å; L221-M304 VanDerWaalsContact CD2-SD 3.58Å; L221-M304 HydrophobicContact CG-CE 3.62Å; L221-M304 HydrophobicContact CG-SD 4.08Å
222G58.1Low68.6Low6 Ų671.1 Ų71.16%0.06233%0.333CS..SBendtrans94.1165.7-170.200000113.9L210L210-G222 CarbonylContact O-C 3.56Å; L210-G222 WeakPolarHBondContact O-CA 3.36Å
223H77.4Confident70.5Confident20 Ų2069 Ų699%0.09332%0.322CS..  trans-60.9125.9-176.3-173.3-20.7000110.7F149 L209 L210 L212 K225 C226F149-H223 HydrophobicContact CE1-CB 4.42Å; F149-H223 AromaticContact CE1-CD2 3.41Å; F149-H223 VanDerWaalsContact CE1-CD2 3.41Å; F149-H223 WeakPolarHBondContact CE1-CD2 3.24Å; F149-H223 AromaticContact CE1-CE1 3.92Å; F149-H223 AromaticContact CE1-CG 3.67Å; F149-H223 AromaticContact CE1-ND1 3.98Å; F149-H223 AromaticContact CE1-NE2 3.55Å; F149-H223 HydrophobicContact CZ-CB 4.19Å; F149-H223 AromaticContact CZ-CD2 3.46Å; F149-H223 VanDerWaalsContact CZ-CD2 3.46Å; F149-H223 WeakPolarHBondContact CZ-CD2 3.35Å; F149-H223 AromaticContact CZ-CG 3.81Å; L209-H223 WeakPolarHBondContact O-CB 3.47Å; L210-H223 PolarHBondContact O-N 3.43Å; L212-H223 HydrophobicContact CB-CB 4.36Å; L212-H223 WeakPolarHBondContact O-CA 3.28Å; L212-H223 WeakPolarHBondContact O-CB 3.47Å; L212-H223 PolarHBondContact O-CD2 3.43Å; L212-H223 PolarHBondContact O-ND1 3.1Å; H223-K225 PolarHBondContact ND1-N 2.89Å; H223-K225 PolarHBondContact O-N 3.21Å; H223-C226 HydrophobicContact CB-CB 4.03Å; H223-C226 PolarHBondContact O-N 2.85Å
224P82.8Confident72.5Confident71 Ų7165.4 Ų65.446%0.46131%0.311SS..THydrogen-bonded Turntrans-61.1-16.6-174.920.9-35.6000114.5Y213 R227Y213-P224 HydrophobicContact CD2-CG 4.11Å; Y213-P224 HydrophobicContact CE2-CG 4.09Å; P224-R227 PolarHBondContact O-NH1 3.3Å; P224-R227 PolarHBondContact O-NH2 2.91Å
225K91.3Very high74.9Confident38 Ų3857.1 Ų57.117%0.16527%0.273CS..THydrogen-bonded Turntrans-105.5-7.5177.4-66.1-177.5178.7-175.90113.4G141 A143 N145 G148 F149 H223 R227G141-K225 PolarHBondContact O-NZ 2.99Å; A143-K225 HydrophobicContact CB-CD 4.44Å; A143-K225 WeakPolarHBondContact O-CE 3.48Å; A143-K225 PolarHBondContact O-NZ 3.37Å; N145-K225 WeakPolarHBondContact OD1-CE 3.39Å; G148-K225 CarbonylContact C-O 3.42Å; G148-K225 WeakPolarHBondContact CA-O 3.26Å; F149-K225 VanDerWaalsContact CD1-C 3.5Å; F149-K225 HydrophobicContact CD1-CB 3.75Å; F149-K225 VanDerWaalsContact CD1-O 3.31Å; F149-K225 WeakPolarHBondContact CD1-O 3.46Å; F149-K225 VanDerWaalsContact CE1-C 3.44Å; F149-K225 HydrophobicContact CE1-CB 3.81Å; F149-K225 PolarHBondContact N-O 3.35Å; H223-K225 PolarHBondContact ND1-N 2.89Å; H223-K225 PolarHBondContact O-N 3.21Å; K225-R227 PolarHBondContact O-N 3.17Å
226C94.1Very high77.2Confident2 Ų254.3 Ų54.31%0.01426%0.262CS..EExtended strand (participates in β ladder)trans-73.2124.2173.4-168.70000109.2F149 H223 V246F149-C226 HydrophobicContact CE1-CB 4Å; F149-C226 VanDerWaalsContact CE1-N 3.34Å; F149-C226 HydrophobicContact CE2-CB 3.93Å; F149-C226 HydrophobicContact CZ-CB 3.53Å; H223-C226 HydrophobicContact CB-CB 4.03Å; H223-C226 PolarHBondContact O-N 2.85Å; C226-V246 HydrophobicContact CB-CG2 4.46Å
227R95.3Very high79.8Confident64 Ų6443.8 Ų43.824%0.24223%0.225CC..EExtended strand (participates in β ladder)trans-107.7-16.8-178-62.9-71.7170.6-90.71.6113.2N145 K147 F149 I150 P224 K225 T291N145-R227 PolarHBondContact O-NH2 3.31Å; K147-R227 WeakPolarHBondContact O-CG 3.21Å; F149-R227 PolarHBondContact O-N 3.28Å; I150-R227 HydrophobicContact CD1-CB 3.71Å; P224-R227 PolarHBondContact O-NH1 3.3Å; P224-R227 PolarHBondContact O-NH2 2.91Å; K225-R227 PolarHBondContact O-N 3.17Å; R227-T291 HydrophobicContact CB-CG2 3.74Å
228G96.9Very high82.4Confident0 Ų039.1 Ų39.10%019%0.192CC..EExtended strand (participates in β ladder)trans173.4163.8-179.700000113.6I150 I151 P247I150-G228 WeakPolarHBondContact CA-O 3.28Å; I151-G228 PolarHBondContact N-O 2.83Å; I151-G228 VanDerWaalsContact N-O 3.1Å; G228-P247 VanDerWaalsContact CA-O 3.22Å; G228-P247 WeakPolarHBondContact CA-O 3.33Å
229L98Very high85Confident0 Ų035 Ų350%017%0.167CC..EExtended strand (participates in β ladder)trans-117.6116.6172.9170.969.8000109.6I151 T231 V246 P247 I248 V249I151-L229 HydrophobicContact CB-CD1 3.78Å; I151-L229 HydrophobicContact CG2-CD1 3.69Å; I151-L229 CarbonylContact O-C 3.59Å; I151-L229 WeakPolarHBondContact O-CA 3.38Å; L229-T231 HydrophobicContact CD2-CG2 4.39Å; L229-T231 HydrophobicContact CG-CG2 4.49Å; L229-V246 HydrophobicContact CB-CG1 4.41Å; L229-P247 PolarHBondContact N-O 3.38Å; L229-I248 HydrophobicContact CB-CG2 4.21Å; L229-I248 HydrophobicContact CD2-CG2 4.34Å; L229-I248 CarbonylContact O-C 3.55Å; L229-I248 WeakPolarHBondContact O-CA 3.49Å; L229-I248 WeakPolarHBondContact O-CB 3.34Å; L229-V249 PolarHBondContact O-N 3.3Å
230I98.3Very high87.5Confident2 Ų227.8 Ų27.81%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-78.8121.9162.4-54.6166000106.6I150 I151 F152 S153 F175 V249 I251 V287I150-I230 HydrophobicContact CG2-CD1 3.77Å; I150-I230 HydrophobicContact CG2-CG1 3.79Å; I151-I230 PolarHBondContact O-N 3.17Å; F152-I230 WeakPolarHBondContact CA-O 3.45Å; F152-I230 HydrophobicContact CB-CB 4.14Å; F152-I230 HydrophobicContact CB-CD1 4.45Å; F152-I230 HydrophobicContact CD2-CB 3.6Å; F152-I230 HydrophobicContact CD2-CG2 3.37Å; F152-I230 WeakPolarHBondContact CD2-O 3.38Å; F152-I230 HydrophobicContact CE2-CB 4.35Å; F152-I230 HydrophobicContact CE2-CG2 3.61Å; F152-I230 HydrophobicContact CG-CB 4.14Å; F152-I230 HydrophobicContact CG-CG2 4.19Å; S153-I230 PolarHBondContact N-O 3.49Å; F175-I230 HydrophobicContact CE1-CD1 3.82Å; F175-I230 HydrophobicContact CZ-CD1 4.39Å; I230-V249 CarbonylContact C-O 3.54Å; I230-V249 VanDerWaalsContact CA-O 3.3Å; I230-V249 WeakPolarHBondContact CA-O 3.4Å; I230-V249 HydrophobicContact CG1-CB 4.21Å; I230-I251 HydrophobicContact CG2-CD1 3.7Å; I230-I251 HydrophobicContact CG2-CG1 4.33Å; I230-V287 HydrophobicContact CD1-CG2 3.84Å; I230-V287 HydrophobicContact CG1-CG2 4.21Å
231T97.5Very high90Very high0 Ų019.1 Ų19.10%010%0.103CC..EExtended strand (participates in β ladder)trans-135.7148.9-176.9-176.60000112.7S153 L229 G233 V238 I248 V249 G250 I251S153-T231 VanDerWaalsContact O-CA 3.29Å; S153-T231 WeakPolarHBondContact O-CA 3.18Å; L229-T231 HydrophobicContact CD2-CG2 4.39Å; L229-T231 HydrophobicContact CG-CG2 4.49Å; T231-G233 PolarHBondContact O-N 3.11Å; T231-G233 PolarHBondContact OG1-N 3.29Å; T231-V238 HydrophobicContact CG2-CG2 4.25Å; T231-I248 HydrophobicContact CG2-CB 4.26Å; T231-I248 HydrophobicContact CG2-CD1 4.24Å; T231-I248 HydrophobicContact CG2-CG2 4.43Å; T231-V249 PolarHBondContact N-O 3.17Å; T231-G250 CarbonylContact O-C 3.59Å; T231-G250 WeakPolarHBondContact O-CA 3.24Å; T231-I251 PolarHBondContact O-N 3.36Å
232H95.7Very high91.7Very high10 Ų1016.9 Ų16.95%0.0469%0.091CC..  trans-66.1-8.2168.975.6-61.1000114.3S153 T154 S157 G234 I251 P252 I253 H257S153-H232 PolarHBondContact O-N 3.41Å; T154-H232 VanDerWaalsContact C-ND1 3.33Å; T154-H232 HydrophobicContact CG2-CB 4.32Å; T154-H232 PolarHBondContact O-ND1 3.37Å; S157-H232 PolarHBondContact OG-CD2 3.28Å; S157-H232 PolarHBondContact OG-NE2 3.49Å; H232-G234 VanDerWaalsContact CE1-CA 3.48Å; H232-G234 WeakPolarHBondContact CE1-CA 3.25Å; H232-G234 PolarHBondContact CE1-N 3.33Å; H232-G234 VanDerWaalsContact CE1-N 3.27Å; H232-G234 WeakPolarHBondContact NE2-CA 3.43Å; H232-G234 PolarHBondContact NE2-N 2.89Å; H232-I251 CarbonylContact C-O 3.57Å; H232-I251 VanDerWaalsContact CA-O 3.28Å; H232-I251 WeakPolarHBondContact CA-O 3.45Å; H232-P252 WeakPolarHBondContact O-CA 3.23Å; H232-I253 HydrophobicContact CB-CG1 3.93Å; H232-H257 AromaticContact CD2-CE1 3.18Å; H232-H257 PolarHBondContact CD2-CE1 2.89Å; H232-H257 AromaticContact CD2-ND1 3.34Å; H232-H257 PolarHBondContact CD2-ND1 3.34Å; H232-H257 VanDerWaalsContact CD2-ND1 3.34Å; H232-H257 AromaticContact NE2-CE1 3.66Å; H232-H257 WeakPolarHBondContact O-CB 3.39Å; H232-H257 PolarHBondContact O-ND1 3.27Å; H232-H257 VanDerWaalsContact O-ND1 3.12Å
233G94.1Very high93.4Very high0 Ų018.4 Ų18.40%010%0.095CC..  trans90.218.8178.800000115.2T231 H257 Y260T231-G233 PolarHBondContact O-N 3.11Å; T231-G233 PolarHBondContact OG1-N 3.29Å; G233-H257 WeakPolarHBondContact O-CA 3.38Å; G233-Y260 WeakPolarHBondContact O-CD2 3.35Å
234G93.2Very high94.1Very high11 Ų1117.5 Ų17.511%0.1139%0.091CC..  trans-63.3139.3172.400000111.9H232 N236 S237 V238H232-G234 VanDerWaalsContact CE1-CA 3.48Å; H232-G234 WeakPolarHBondContact CE1-CA 3.25Å; H232-G234 PolarHBondContact CE1-N 3.33Å; H232-G234 VanDerWaalsContact CE1-N 3.27Å; H232-G234 WeakPolarHBondContact NE2-CA 3.43Å; H232-G234 PolarHBondContact NE2-N 2.89Å; G234-N236 PolarHBondContact O-N 2.93Å; G234-S237 PolarHBondContact O-N 2.69Å; G234-S237 VanDerWaalsContact O-N 3.15Å; G234-V238 WeakPolarHBondContact O-CG2 3.48Å; G234-V238 PolarHBondContact O-N 3.34Å
235L92.9Very high94.6Very high16 Ų1614.1 Ų14.18%0.0847%0.069CC..Hα-helixtrans-51.9-49.2-173.2178.858.5000113.1N86 F91 S237 V238 V239 Y260N86-L235 WeakPolarHBondContact O-CD2 3.47Å; F91-L235 HydrophobicContact CE1-CD1 4.11Å; L235-S237 PolarHBondContact O-N 3.18Å; L235-V238 PolarHBondContact O-N 3.48Å; L235-V239 HydrophobicContact CD1-CG2 3.82Å; L235-V239 HydrophobicContact CG-CG2 4.38Å; L235-V239 WeakPolarHBondContact O-CB 3.42Å; L235-V239 VanDerWaalsContact O-CG2 3.31Å; L235-V239 WeakPolarHBondContact O-CG2 3.13Å; L235-V239 PolarHBondContact O-N 3.32Å; L235-Y260 HydrophobicContact CB-CD1 4.49Å; L235-Y260 HydrophobicContact CB-CD2 3.95Å; L235-Y260 HydrophobicContact CB-CE1 4.3Å; L235-Y260 HydrophobicContact CB-CE2 3.76Å; L235-Y260 HydrophobicContact CB-CG 4.33Å; L235-Y260 HydrophobicContact CD1-CD1 3.78Å; L235-Y260 HydrophobicContact CD1-CE1 3.86Å; L235-Y260 HydrophobicContact CD1-CG 4.19Å; L235-Y260 HydrophobicContact CD2-CE1 4.28Å; L235-Y260 HydrophobicContact CG-CE1 4.38Å
236N92.7Very high94.8Very high74 Ų7412.3 Ų12.340%0.3966%0.061SC..Hα-helixtrans-60.9-47.5-179.4-67.1-2.7000111.7H108 G234 V238 V239 E240H108-N236 PolarHBondContact CE1-OD1 2.74Å; G234-N236 PolarHBondContact O-N 2.93Å; N236-V238 VanDerWaalsContact C-N 3.29Å; N236-V238 PolarHBondContact O-N 3.18Å; N236-V239 PolarHBondContact O-N 3.07Å; N236-E240 WeakPolarHBondContact O-CB 3.33Å; N236-E240 VanDerWaalsContact O-CG 3.24Å; N236-E240 WeakPolarHBondContact O-CG 3.34Å; N236-E240 PolarHBondContact O-N 3.21Å
237S94.5Very high95Very high15 Ų1512.3 Ų12.311%0.1056%0.061CC..Hα-helixtrans-63.3-37.3179.9-55.30000112.4G234 L235 S241G234-S237 PolarHBondContact O-N 2.69Å; G234-S237 VanDerWaalsContact O-N 3.15Å; L235-S237 PolarHBondContact O-N 3.18Å; S237-S241 WeakPolarHBondContact O-CB 3.41Å; S237-S241 PolarHBondContact O-N 2.96Å
238V95.1Very high95.1Very high0 Ų09.3 Ų9.30%05%0.05CC..Hα-helixtrans-67.6-46.9176.5175.20000110.4F91 T231 G234 L235 N236 S241 M242 I248F91-V238 HydrophobicContact CE2-CG1 3.56Å; F91-V238 HydrophobicContact CZ-CG1 3.52Å; T231-V238 HydrophobicContact CG2-CG2 4.25Å; G234-V238 WeakPolarHBondContact O-CG2 3.48Å; G234-V238 PolarHBondContact O-N 3.34Å; L235-V238 PolarHBondContact O-N 3.48Å; N236-V238 VanDerWaalsContact C-N 3.29Å; N236-V238 PolarHBondContact O-N 3.18Å; V238-S241 PolarHBondContact O-N 3.18Å; V238-M242 HydrophobicContact CG1-CG 4.49Å; V238-M242 VanDerWaalsContact O-CG 3.32Å; V238-M242 WeakPolarHBondContact O-CG 3.23Å; V238-M242 PolarHBondContact O-N 3.42Å; V238-I248 HydrophobicContact CG1-CD1 4.09Å; V238-I248 HydrophobicContact CG2-CD1 4Å
239V94.8Very high95.2Very high2 Ų29.4 Ų9.41%0.0125%0.05CC..Hα-helixtrans-63.4-44178.31720000111.3P88 F91 L235 N236 S241 M242 W243P88-V239 HydrophobicContact CG-CG1 3.99Å; P88-V239 HydrophobicContact CG-CG2 4.48Å; F91-V239 HydrophobicContact CD2-CG2 4.43Å; F91-V239 HydrophobicContact CG-CG2 4.49Å; L235-V239 HydrophobicContact CD1-CG2 3.82Å; L235-V239 HydrophobicContact CG-CG2 4.38Å; L235-V239 WeakPolarHBondContact O-CB 3.42Å; L235-V239 VanDerWaalsContact O-CG2 3.31Å; L235-V239 WeakPolarHBondContact O-CG2 3.13Å; L235-V239 PolarHBondContact O-N 3.32Å; N236-V239 PolarHBondContact O-N 3.07Å; V239-S241 PolarHBondContact O-N 3.26Å; V239-M242 PolarHBondContact O-N 2.67Å; V239-W243 WeakPolarHBondContact O-CB 3.48Å; V239-W243 PolarHBondContact O-N 3.16Å
240E94.1Very high95.2Very high23 Ų239.4 Ų9.411%0.1075%0.05CC..Hα-helixtrans-57.9-47.5174.1-72.7171.8177.700111.3H108 Q206 Q207 L210 N236 M242 W243 H244H108-E240 IonicContact CD2-OE1 3.23Å; H108-E240 PolarHBondContact CD2-OE1 3.38Å; H108-E240 IonicContact NE2-OE1 2.69Å; Q206-E240 PolarHBondContact NE2-OE2 2.87Å; Q207-E240 HydrophobicContact CG-CB 4.37Å; Q207-E240 HydrophobicContact CG-CG 3.78Å; Q207-E240 WeakPolarHBondContact CG-OE1 3.42Å; Q207-E240 PolarHBondContact NE2-OE1 3.43Å; L210-E240 HydrophobicContact CD1-CB 4.12Å; N236-E240 WeakPolarHBondContact O-CB 3.33Å; N236-E240 VanDerWaalsContact O-CG 3.24Å; N236-E240 WeakPolarHBondContact O-CG 3.34Å; N236-E240 PolarHBondContact O-N 3.21Å; E240-M242 VanDerWaalsContact C-N 3.33Å; E240-M242 PolarHBondContact O-N 3.37Å; E240-W243 PolarHBondContact O-N 3.43Å; E240-H244 PolarHBondContact O-CD2 3.19Å; E240-H244 PolarHBondContact O-N 2.99Å
241S95.2Very high95.2Very high0 Ų09.7 Ų9.70%05%0.052CC..Hα-helixtrans-59.7-45178.4-1580000111.6S237 V238 V239 H244 G245 V246 I248S237-S241 WeakPolarHBondContact O-CB 3.41Å; S237-S241 PolarHBondContact O-N 2.96Å; V238-S241 PolarHBondContact O-N 3.18Å; V239-S241 PolarHBondContact O-N 3.26Å; S241-H244 PolarHBondContact O-N 3.45Å; S241-G245 PolarHBondContact O-N 2.76Å; S241-G245 VanDerWaalsContact O-N 3.11Å; S241-V246 CarbonylContact C-O 3.51Å; S241-V246 PolarHBondContact O-N 2.79Å; S241-V246 PolarHBondContact OG-O 3.23Å; S241-I248 WeakPolarHBondContact OG-CG2 3.33Å
242M94.5Very high95Very high0 Ų010.3 Ų10.30%06%0.056CC..Hα-helixtrans-67.1-37.3176.4-68.5-55.893.300112.3F91 V238 V239 E240 H244 G245 V246 I248 A264 A269 A300 F303 M304 L307F91-M242 HydrophobicContact CD2-CG 4.26Å; F91-M242 HydrophobicContact CE2-CG 4.03Å; V238-M242 HydrophobicContact CG1-CG 4.49Å; V238-M242 VanDerWaalsContact O-CG 3.32Å; V238-M242 WeakPolarHBondContact O-CG 3.23Å; V238-M242 PolarHBondContact O-N 3.42Å; V239-M242 PolarHBondContact O-N 2.67Å; E240-M242 VanDerWaalsContact C-N 3.33Å; E240-M242 PolarHBondContact O-N 3.37Å; M242-H244 VanDerWaalsContact C-N 3.29Å; M242-H244 PolarHBondContact O-N 3.27Å; M242-G245 PolarHBondContact O-N 3Å; M242-V246 WeakPolarHBondContact CE-O 3.21Å; M242-I248 HydrophobicContact CE-CG2 4.13Å; M242-A264 HydrophobicContact SD-CB 4.39Å; M242-A269 HydrophobicContact CE-CB 4.04Å; M242-A269 HydrophobicContact SD-CB 3.58Å; M242-A269 VanDerWaalsContact SD-CB 3.58Å; M242-A300 HydrophobicContact CE-CB 4.31Å; M242-F303 HydrophobicContact CB-CD1 3.64Å; M242-F303 HydrophobicContact CB-CE1 3.77Å; M242-F303 HydrophobicContact CG-CD1 4.01Å; M242-F303 HydrophobicContact CG-CE1 3.93Å; M242-F303 HydrophobicContact SD-CD1 4.23Å; M242-F303 HydrophobicContact SD-CG 4.42Å; M242-M304 VanDerWaalsContact O-CA 3.3Å; M242-M304 WeakPolarHBondContact O-CA 3.34Å; M242-M304 VanDerWaalsContact O-CB 3.23Å; M242-M304 WeakPolarHBondContact O-CB 3.45Å; M242-M304 PolarHBondContact O-N 2.86Å; M242-L307 HydrophobicContact CB-CD1 3.97Å
243W92.9Very high94.9Very high38 Ų3812.1 Ų12.114%0.1447%0.065CC..Hα-helixtrans-69.5-25.8178.4-166.894.8000112.5C109 K111 V239 E240 M304 L307 Q308C109-W243 HydrophobicContact CB-CB 4.14Å; C109-W243 HydrophobicContact CB-CD2 3.6Å; C109-W243 HydrophobicContact CB-CE3 4.12Å; C109-W243 HydrophobicContact CB-CG 3.58Å; K111-W243 HydrophobicContact CG-CH2 4.01Å; K111-W243 HydrophobicContact CG-CZ3 4.42Å; V239-W243 WeakPolarHBondContact O-CB 3.48Å; V239-W243 PolarHBondContact O-N 3.16Å; E240-W243 PolarHBondContact O-N 3.43Å; W243-M304 VanDerWaalsContact O-CG 3.28Å; W243-M304 WeakPolarHBondContact O-CG 3.46Å; W243-L307 HydrophobicContact CB-CD1 4.24Å; W243-Q308 HydrophobicContact CD2-CG 4.31Å; W243-Q308 HydrophobicContact CZ2-CG 4.06Å; W243-Q308 PolarHBondContact O-NE2 2.92Å
244H93Very high94.7Very high1 Ų118.7 Ų18.71%0.0059%0.091CC..THydrogen-bonded Turntrans-98.47.6172.1-66.6-74.8000113.5R110 L210 D211 E240 S241 M242 V246R110-H244 PolarHBondContact O-CE1 2.79Å; R110-H244 VanDerWaalsContact O-CE1 3.25Å; L210-H244 HydrophobicContact CB-CB 3.81Å; D211-H244 IonicContact OD1-CE1 3.88Å; D211-H244 IonicContact OD1-ND1 3.18Å; D211-H244 PolarHBondContact OD1-ND1 2.95Å; E240-H244 PolarHBondContact O-CD2 3.19Å; E240-H244 PolarHBondContact O-N 2.99Å; S241-H244 PolarHBondContact O-N 3.45Å; M242-H244 VanDerWaalsContact C-N 3.29Å; M242-H244 PolarHBondContact O-N 3.27Å; H244-V246 VanDerWaalsContact C-N 3.31Å; H244-V246 HydrophobicContact CB-CG2 4.42Å; H244-V246 PolarHBondContact O-N 2.81Å
245G93.5Very high94.4Very high0 Ų022 Ų220%011%0.112CC..THydrogen-bonded Turntrans65.130.8177.800000114.2S241 M242 K297 A300S241-G245 PolarHBondContact O-N 2.76Å; S241-G245 VanDerWaalsContact O-N 3.11Å; M242-G245 PolarHBondContact O-N 3Å; G245-K297 WeakPolarHBondContact O-CD 3.09Å; G245-K297 WeakPolarHBondContact O-CE 3.3Å; G245-K297 PolarHBondContact O-NZ 3.14Å; G245-A300 WeakPolarHBondContact CA-O 3.33Å
246V95.4Very high94.1Very high1 Ų124.5 Ų24.51%0.00612%0.124CC..  trans-103.9123.8179.6176.10000109.7L210 C226 L229 S241 M242 H244L210-V246 HydrophobicContact CD2-CB 3.85Å; L210-V246 HydrophobicContact CD2-CG1 3.87Å; L210-V246 HydrophobicContact CD2-CG2 3.74Å; C226-V246 HydrophobicContact CB-CG2 4.46Å; L229-V246 HydrophobicContact CB-CG1 4.41Å; S241-V246 CarbonylContact C-O 3.51Å; S241-V246 PolarHBondContact O-N 2.79Å; S241-V246 PolarHBondContact OG-O 3.23Å; M242-V246 WeakPolarHBondContact CE-O 3.21Å; H244-V246 VanDerWaalsContact C-N 3.31Å; H244-V246 HydrophobicContact CB-CG2 4.42Å; H244-V246 PolarHBondContact O-N 2.81Å
247P97.3Very high94.2Very high2 Ų221.9 Ų21.91%0.01311%0.109CC..  trans-74.5156.9179.733.5-37.6000111.8G228 L229 A269 L290 A300G228-P247 VanDerWaalsContact CA-O 3.22Å; G228-P247 WeakPolarHBondContact CA-O 3.33Å; L229-P247 PolarHBondContact N-O 3.38Å; P247-A269 VanDerWaalsContact CA-O 3.25Å; P247-A269 WeakPolarHBondContact CA-O 3.37Å; P247-A269 WeakPolarHBondContact CB-O 3.39Å; P247-L290 HydrophobicContact CB-CD1 3.93Å; P247-L290 HydrophobicContact CB-CD2 4.45Å; P247-L290 HydrophobicContact CB-CG 4.21Å; P247-L290 HydrophobicContact CG-CD1 4.36Å; P247-L290 HydrophobicContact CG-CD2 4.13Å; P247-L290 HydrophobicContact CG-CG 4.08Å; P247-A300 HydrophobicContact CB-CB 4.12Å
248I98.3Very high94.2Very high0 Ų026.7 Ų26.70%013%0.125CC..EExtended strand (participates in β ladder)trans-116.9148.3-172.467172.4000114.6L229 T231 V238 S241 M242 I261 A264 A269 G270 I271 L290L229-I248 HydrophobicContact CB-CG2 4.21Å; L229-I248 HydrophobicContact CD2-CG2 4.34Å; L229-I248 CarbonylContact O-C 3.55Å; L229-I248 WeakPolarHBondContact O-CA 3.49Å; L229-I248 WeakPolarHBondContact O-CB 3.34Å; T231-I248 HydrophobicContact CG2-CB 4.26Å; T231-I248 HydrophobicContact CG2-CD1 4.24Å; T231-I248 HydrophobicContact CG2-CG2 4.43Å; V238-I248 HydrophobicContact CG1-CD1 4.09Å; V238-I248 HydrophobicContact CG2-CD1 4Å; S241-I248 WeakPolarHBondContact OG-CG2 3.33Å; M242-I248 HydrophobicContact CE-CG2 4.13Å; I248-I261 HydrophobicContact CD1-CG1 4.45Å; I248-A264 HydrophobicContact CD1-CB 3.81Å; I248-A264 HydrophobicContact CG1-CB 4.17Å; I248-A269 PolarHBondContact N-O 3.35Å; I248-A269 VanDerWaalsContact N-O 3.09Å; I248-G270 CarbonylContact O-C 3.53Å; I248-G270 WeakPolarHBondContact O-CA 3.47Å; I248-I271 PolarHBondContact O-N 3.31Å; I248-L290 WeakPolarHBondContact O-CD1 3.48Å
249V98.5Very high94.1Very high2 Ų227 Ų271%0.01213%0.126CC..EExtended strand (participates in β ladder)trans-105.9108.8156.1176.20000107.5L229 I230 T231 I271 L273 A286 L290L229-V249 PolarHBondContact O-N 3.3Å; I230-V249 CarbonylContact C-O 3.54Å; I230-V249 VanDerWaalsContact CA-O 3.3Å; I230-V249 WeakPolarHBondContact CA-O 3.4Å; I230-V249 HydrophobicContact CG1-CB 4.21Å; T231-V249 PolarHBondContact N-O 3.17Å; V249-I271 CarbonylContact C-O 3.58Å; V249-I271 WeakPolarHBondContact CA-O 3.21Å; V249-I271 HydrophobicContact CG2-CB 4.45Å; V249-L273 HydrophobicContact CG1-CB 4.3Å; V249-A286 HydrophobicContact CG1-CB 3.92Å; V249-A286 HydrophobicContact CG2-CB 4.2Å; V249-L290 HydrophobicContact CG2-CB 4.23Å; V249-L290 HydrophobicContact CG2-CD1 4.16Å; V249-L290 HydrophobicContact CG2-CD2 4.04Å; V249-L290 HydrophobicContact CG2-CG 4.37Å
250G98Very high94Very high0 Ų027.6 Ų27.60%013%0.128CC..EExtended strand (participates in β ladder)trans-93.1120.5-17700000112.6T231 P252 I271 L273T231-G250 CarbonylContact O-C 3.59Å; T231-G250 WeakPolarHBondContact O-CA 3.24Å; G250-P252 WeakPolarHBondContact O-CD 3.17Å; G250-I271 PolarHBondContact N-O 3.38Å; G250-L273 PolarHBondContact O-N 3.4Å
251I97.3Very high94.1Very high8 Ų826.5 Ų26.54%0.04112%0.123CC..  trans-111.286.1174.4-52.4171.6000108.3F171 I230 T231 H232 I253 L273 L278F171-I251 HydrophobicContact CE1-CD1 4.16Å; F171-I251 HydrophobicContact CZ-CD1 4.28Å; I230-I251 HydrophobicContact CG2-CD1 3.7Å; I230-I251 HydrophobicContact CG2-CG1 4.33Å; T231-I251 PolarHBondContact O-N 3.36Å; H232-I251 CarbonylContact C-O 3.57Å; H232-I251 VanDerWaalsContact CA-O 3.28Å; H232-I251 WeakPolarHBondContact CA-O 3.45Å; I251-I253 PolarHBondContact O-N 2.8Å; I251-L273 WeakPolarHBondContact CA-O 3.44Å; I251-L273 HydrophobicContact CD1-CD2 4.42Å; I251-L273 HydrophobicContact CG1-CB 4.24Å; I251-L273 HydrophobicContact CG1-CD2 4.28Å; I251-L278 HydrophobicContact CD1-CD1 3.98Å; I251-L278 HydrophobicContact CG2-CD1 4.14Å
252P95.3Very high94.1Very high14 Ų1427 Ų279%0.09113%0.126CC..  trans-66.1128.2-172.329.2-37000111.7H232 G250 H257 R258 I261 L272 L273H232-P252 WeakPolarHBondContact O-CA 3.23Å; G250-P252 WeakPolarHBondContact O-CD 3.17Å; P252-H257 HydrophobicContact CB-CB 4.12Å; P252-R258 HydrophobicContact CB-CB 3.75Å; P252-R258 HydrophobicContact CB-CG 4.38Å; P252-R258 HydrophobicContact CG-CB 4.12Å; P252-R258 HydrophobicContact CG-CG 4.2Å; P252-I261 HydrophobicContact CB-CD1 3.98Å; P252-I261 HydrophobicContact CG-CD1 4.38Å; P252-L272 HydrophobicContact CG-CD1 3.81Å; P252-L273 WeakPolarHBondContact CD-O 3.4Å
253I91.6Very high94.1Very high48 Ų4827.4 Ų27.425%0.24613%0.128CC..SBendtrans-91.8-36.9174.8-57.3-61.7000111.6V158 H232 I251V158-I253 HydrophobicContact CG2-CD1 3.99Å; V158-I253 HydrophobicContact CG2-CG1 3.79Å; H232-I253 HydrophobicContact CB-CG1 3.93Å; I251-I253 PolarHBondContact O-N 2.8Å
254Y90.1Very high94.3Very high138 Ų13825.6 Ų25.654%0.54112%0.121SC..SBendtrans-122.9165.1177.1-57.9-58.5000110.6E256 H257 R258Y254-E256 PolarHBondContact O-N 3.5Å; Y254-H257 AromaticContact CD2-CE1 3.34Å; Y254-H257 WeakPolarHBondContact CD2-CE1 3.35Å; Y254-H257 AromaticContact CD2-NE2 3.7Å; Y254-H257 WeakPolarHBondContact O-CB 3.28Å; Y254-H257 PolarHBondContact O-N 2.89Å; Y254-H257 VanDerWaalsContact O-N 3.16Å; Y254-R258 PolarHBondContact O-N 3.12Å
255S87.9Confident94.5Very high79 Ų7927.2 Ų27.255%0.55213%0.131SC*.Hα-helixtrans-56.7-49-177.6-55.20000112.6H257 R258 D259S255-H257 PolarHBondContact O-N 3.47Å; S255-R258 WeakPolarHBondContact O-CA 3.33Å; S255-R258 WeakPolarHBondContact O-CB 3.45Å; S255-R258 PolarHBondContact O-N 2.92Å; S255-D259 PolarHBondContact O-N 2.79Å
256E87Confident94.5Very high69 Ų6929.5 Ų29.532%0.32215%0.15SC..Hα-helixtrans-55.6-36.5178.3-64.4-65.5153.300113H3 Y254 R258 D259 Y260H3-E256 IonicContact CE1-OE2 2.75Å; H3-E256 PolarHBondContact CE1-OE2 2.68Å; H3-E256 IonicContact ND1-OE2 2.84Å; H3-E256 IonicContact NE2-OE2 3.55Å; Y254-E256 PolarHBondContact O-N 3.5Å; E256-R258 VanDerWaalsContact C-N 3.26Å; E256-R258 PolarHBondContact O-N 3.2Å; E256-D259 PolarHBondContact O-N 3Å; E256-Y260 HydrophobicContact CB-CE2 4.21Å; E256-Y260 WeakPolarHBondContact O-CD2 3.5Å; E256-Y260 WeakPolarHBondContact O-CE2 3.37Å; E256-Y260 PolarHBondContact O-N 2.85Å
257H93.4Very high94.5Very high20 Ų2032.9 Ų32.99%0.09316%0.162CC..Hα-helixtrans-65.9-35.3179.5-59.3177.5000111.5H232 G233 P252 Y254 S255 D259 Y260 I261H232-H257 AromaticContact CD2-CE1 3.18Å; H232-H257 PolarHBondContact CD2-CE1 2.89Å; H232-H257 AromaticContact CD2-ND1 3.34Å; H232-H257 PolarHBondContact CD2-ND1 3.34Å; H232-H257 VanDerWaalsContact CD2-ND1 3.34Å; H232-H257 AromaticContact NE2-CE1 3.66Å; H232-H257 WeakPolarHBondContact O-CB 3.39Å; H232-H257 PolarHBondContact O-ND1 3.27Å; H232-H257 VanDerWaalsContact O-ND1 3.12Å; G233-H257 WeakPolarHBondContact O-CA 3.38Å; P252-H257 HydrophobicContact CB-CB 4.12Å; Y254-H257 AromaticContact CD2-CE1 3.34Å; Y254-H257 WeakPolarHBondContact CD2-CE1 3.35Å; Y254-H257 AromaticContact CD2-NE2 3.7Å; Y254-H257 WeakPolarHBondContact O-CB 3.28Å; Y254-H257 PolarHBondContact O-N 2.89Å; Y254-H257 VanDerWaalsContact O-N 3.16Å; S255-H257 PolarHBondContact O-N 3.47Å; H257-D259 VanDerWaalsContact C-N 3.3Å; H257-D259 PolarHBondContact O-N 2.85Å; H257-Y260 PolarHBondContact O-N 3.04Å; H257-I261 WeakPolarHBondContact O-CD1 3.47Å; H257-I261 VanDerWaalsContact O-CG1 3.26Å; H257-I261 WeakPolarHBondContact O-CG1 3.3Å; H257-I261 PolarHBondContact O-N 3.48Å; H257-I261 VanDerWaalsContact O-N 3.11Å
258R94.5Very high94.4Very high116 Ų11635.6 Ų35.644%0.43818%0.177SC..Hα-helixtrans-62.7-41.3176.4-168.4173.6176.5-141.5-2.9110.3A27 P252 Y254 S255 E256 Y260 I261 V262 L272A27-R258 HydrophobicContact CB-CG 3.74Å; A27-R258 VanDerWaalsContact CB-NH1 3.28Å; P252-R258 HydrophobicContact CB-CB 3.75Å; P252-R258 HydrophobicContact CB-CG 4.38Å; P252-R258 HydrophobicContact CG-CB 4.12Å; P252-R258 HydrophobicContact CG-CG 4.2Å; Y254-R258 PolarHBondContact O-N 3.12Å; S255-R258 WeakPolarHBondContact O-CA 3.33Å; S255-R258 WeakPolarHBondContact O-CB 3.45Å; S255-R258 PolarHBondContact O-N 2.92Å; E256-R258 VanDerWaalsContact C-N 3.26Å; E256-R258 PolarHBondContact O-N 3.2Å; R258-Y260 PolarHBondContact O-N 3.48Å; R258-I261 PolarHBondContact O-N 2.8Å; R258-V262 HydrophobicContact CG-CG2 4.47Å; R258-V262 WeakPolarHBondContact O-CB 3.41Å; R258-V262 VanDerWaalsContact O-CG2 3.24Å; R258-V262 WeakPolarHBondContact O-CG2 3.29Å; R258-V262 PolarHBondContact O-N 3.16Å; R258-L272 HydrophobicContact CG-CD1 4.2Å; R258-L272 HydrophobicContact CG-CD2 4.23Å
259D93Very high94.4Very high5 Ų535.6 Ų35.63%0.02718%0.177CC..Hα-helixtrans-65.1-38.3179.9-57.7-56.5000112.9G25 A27 S255 E256 H257 V262 R263G25-D259 VanDerWaalsContact CA-OD2 3.23Å; G25-D259 WeakPolarHBondContact CA-OD2 3.05Å; G25-D259 PolarHBondContact N-OD2 3.1Å; A27-D259 WeakPolarHBondContact CA-OD1 3.03Å; A27-D259 PolarHBondContact N-OD1 3.4Å; S255-D259 PolarHBondContact O-N 2.79Å; E256-D259 PolarHBondContact O-N 3Å; H257-D259 VanDerWaalsContact C-N 3.3Å; H257-D259 PolarHBondContact O-N 2.85Å; D259-V262 PolarHBondContact O-N 3.48Å; D259-R263 PolarHBondContact O-N 2.88Å; D259-R263 PolarHBondContact O-NH1 2.98Å
260Y93.6Very high94.3Very high15 Ų1535.7 Ų35.76%0.05918%0.178CC..Hα-helixtrans-68.8-39.3175.9-55.5-45.8000112H3 G233 L235 E256 H257 R258 V262 R263H3-Y260 HydrophobicContact CB-CE1 4.24Å; H3-Y260 PolarHBondContact CE1-OH 2.81Å; H3-Y260 AromaticContact ND1-CE1 3.53Å; H3-Y260 AromaticContact ND1-CZ 3.55Å; H3-Y260 PolarHBondContact ND1-OH 3.12Å; G233-Y260 WeakPolarHBondContact O-CD2 3.35Å; L235-Y260 HydrophobicContact CB-CD1 4.49Å; L235-Y260 HydrophobicContact CB-CD2 3.95Å; L235-Y260 HydrophobicContact CB-CE1 4.3Å; L235-Y260 HydrophobicContact CB-CE2 3.76Å; L235-Y260 HydrophobicContact CB-CG 4.33Å; L235-Y260 HydrophobicContact CD1-CD1 3.78Å; L235-Y260 HydrophobicContact CD1-CE1 3.86Å; L235-Y260 HydrophobicContact CD1-CG 4.19Å; L235-Y260 HydrophobicContact CD2-CE1 4.28Å; L235-Y260 HydrophobicContact CG-CE1 4.38Å; E256-Y260 HydrophobicContact CB-CE2 4.21Å; E256-Y260 WeakPolarHBondContact O-CD2 3.5Å; E256-Y260 WeakPolarHBondContact O-CE2 3.37Å; E256-Y260 PolarHBondContact O-N 2.85Å; H257-Y260 PolarHBondContact O-N 3.04Å; R258-Y260 PolarHBondContact O-N 3.48Å; Y260-V262 VanDerWaalsContact C-N 3.33Å; Y260-R263 PolarHBondContact O-N 2.78Å
261I96.2Very high94.3Very high0 Ų036.8 Ų36.80%018%0.184CC..Hα-helixtrans-64.7-40.2174.4-65.1160000110.5I248 P252 H257 R258 R263 A264 T265 L272I248-I261 HydrophobicContact CD1-CG1 4.45Å; P252-I261 HydrophobicContact CB-CD1 3.98Å; P252-I261 HydrophobicContact CG-CD1 4.38Å; H257-I261 WeakPolarHBondContact O-CD1 3.47Å; H257-I261 VanDerWaalsContact O-CG1 3.26Å; H257-I261 WeakPolarHBondContact O-CG1 3.3Å; H257-I261 PolarHBondContact O-N 3.48Å; H257-I261 VanDerWaalsContact O-N 3.11Å; R258-I261 PolarHBondContact O-N 2.8Å; I261-R263 VanDerWaalsContact C-N 3.27Å; I261-R263 PolarHBondContact O-N 2.67Å; I261-A264 PolarHBondContact O-N 3.39Å; I261-A264 VanDerWaalsContact O-N 3.09Å; I261-T265 HydrophobicContact CG2-CG2 3.89Å; I261-T265 WeakPolarHBondContact O-CG2 3.47Å; I261-T265 PolarHBondContact O-N 3.38Å; I261-T265 PolarHBondContact O-OG1 2.79Å; I261-L272 HydrophobicContact CB-CD1 4.02Å; I261-L272 HydrophobicContact CD1-CD1 4.16Å; I261-L272 HydrophobicContact CG2-CB 3.91Å; I261-L272 HydrophobicContact CG2-CD1 3.51Å; I261-L272 HydrophobicContact CG2-CG 4.31Å
262V95.8Very high94.4Very high10 Ų1038.6 Ų38.66%0.06119%0.193CC..Hα-helixtrans-58.5-37.8178.7164.50000111.9A27 T29 F93 R258 D259 Y260 A264 T265 A266 L272A27-V262 HydrophobicContact CB-CG2 4.32Å; T29-V262 HydrophobicContact CG2-CG1 3.85Å; F93-V262 HydrophobicContact CZ-CG1 4.36Å; R258-V262 HydrophobicContact CG-CG2 4.47Å; R258-V262 WeakPolarHBondContact O-CB 3.41Å; R258-V262 VanDerWaalsContact O-CG2 3.24Å; R258-V262 WeakPolarHBondContact O-CG2 3.29Å; R258-V262 PolarHBondContact O-N 3.16Å; D259-V262 PolarHBondContact O-N 3.48Å; Y260-V262 VanDerWaalsContact C-N 3.33Å; V262-A264 VanDerWaalsContact C-N 3.33Å; V262-A264 PolarHBondContact O-N 3.39Å; V262-T265 VanDerWaalsContact CA-OG1 3.31Å; V262-T265 WeakPolarHBondContact CA-OG1 3.26Å; V262-T265 PolarHBondContact O-N 3.28Å; V262-T265 PolarHBondContact O-OG1 2.85Å; V262-T265 VanDerWaalsContact O-OG1 3.09Å; V262-A266 WeakPolarHBondContact O-CB 3.36Å; V262-A266 PolarHBondContact O-N 2.92Å; V262-L272 HydrophobicContact CG2-CD2 4.33Å
263R94.3Very high94.5Very high10 Ų1038.7 Ų38.74%0.03819%0.193CC..Hα-helixtrans-63.2-37.3176.2-72.6163174.170.32.9113.2F91 D92 F93 D259 Y260 I261 R267F91-R263 HydrophobicContact CE1-CB 4.18Å; F91-R263 HydrophobicContact CZ-CB 4.05Å; D92-R263 IonicContact OD1-CZ 3.21Å; D92-R263 IonicContact OD1-NE 3.35Å; D92-R263 PolarHBondContact OD1-NE 3.03Å; D92-R263 IonicContact OD1-NH2 2.74Å; D92-R263 PolarHBondContact OD1-NH2 3.1Å; D92-R263 IonicContact OD2-NH2 3.94Å; F93-R263 HydrophobicContact CD2-CG 4.25Å; F93-R263 HydrophobicContact CE2-CG 3.87Å; F93-R263 HydrophobicContact CZ-CG 4.19Å; D259-R263 PolarHBondContact O-N 2.88Å; D259-R263 PolarHBondContact O-NH1 2.98Å; Y260-R263 PolarHBondContact O-N 2.78Å; I261-R263 VanDerWaalsContact C-N 3.27Å; I261-R263 PolarHBondContact O-N 2.67Å; R263-R267 PolarHBondContact O-NH1 2.98Å
264A96Very high94.6Very high0 Ų038.5 Ų38.50%020%0.195CC..Hα-helixtrans-72.9-44174.400000111.1M242 I248 I261 V262 R267 N268 A269M242-A264 HydrophobicContact SD-CB 4.39Å; I248-A264 HydrophobicContact CD1-CB 3.81Å; I248-A264 HydrophobicContact CG1-CB 4.17Å; I261-A264 PolarHBondContact O-N 3.39Å; I261-A264 VanDerWaalsContact O-N 3.09Å; V262-A264 VanDerWaalsContact C-N 3.33Å; V262-A264 PolarHBondContact O-N 3.39Å; A264-R267 CarbonylContact O-C 3.53Å; A264-R267 PolarHBondContact O-N 3.43Å; A264-N268 PolarHBondContact O-N 3.11Å; A264-A269 PolarHBondContact O-N 2.99Å
265T96.6Very high94.7Very high34 Ų3438.2 Ų38.221%0.20920%0.197CC..Hα-helixtrans-70.9-35.1-177.560.40000113I261 V262 R267 N268 G270 L272I261-T265 HydrophobicContact CG2-CG2 3.89Å; I261-T265 WeakPolarHBondContact O-CG2 3.47Å; I261-T265 PolarHBondContact O-N 3.38Å; I261-T265 PolarHBondContact O-OG1 2.79Å; V262-T265 VanDerWaalsContact CA-OG1 3.31Å; V262-T265 WeakPolarHBondContact CA-OG1 3.26Å; V262-T265 PolarHBondContact O-N 3.28Å; V262-T265 PolarHBondContact O-OG1 2.85Å; V262-T265 VanDerWaalsContact O-OG1 3.09Å; T265-R267 PolarHBondContact O-N 3.25Å; T265-R267 VanDerWaalsContact O-N 3.16Å; T265-N268 PolarHBondContact O-N 3.23Å; T265-G270 VanDerWaalsContact CG2-C 3.48Å; T265-G270 VanDerWaalsContact CG2-O 3.24Å; T265-G270 WeakPolarHBondContact CG2-O 3.46Å; T265-L272 HydrophobicContact CG2-CB 4.01Å
266A95.4Very high94.9Very high48 Ų4839.4 Ų39.440%0.39721%0.205SC..Hα-helixtrans-59.1-26.6175.800000112.1T29 F93 V262T29-A266 HydrophobicContact CG2-CB 4.22Å; F93-A266 HydrophobicContact CE1-CB 4.06Å; F93-A266 HydrophobicContact CZ-CB 4.11Å; V262-A266 WeakPolarHBondContact O-CB 3.36Å; V262-A266 PolarHBondContact O-N 2.92Å
267R93.9Very high95.2Very high72 Ų7241.1 Ų41.127%0.27222%0.216SC..THydrogen-bonded Turntrans-103.414.4176.3-64.4176.5-179.5106.4-12.1113.1F91 D92 R263 A264 T265 A269 S299F91-R267 PolarHBondContact O-NH1 2.88Å; D92-R267 PolarHBondContact O-NH2 3.44Å; R263-R267 PolarHBondContact O-NH1 2.98Å; A264-R267 CarbonylContact O-C 3.53Å; A264-R267 PolarHBondContact O-N 3.43Å; T265-R267 PolarHBondContact O-N 3.25Å; T265-R267 VanDerWaalsContact O-N 3.16Å; R267-A269 PolarHBondContact O-N 3.26Å; R267-S299 VanDerWaalsContact O-CB 3.27Å; R267-S299 WeakPolarHBondContact O-CB 3.22Å; R267-S299 PolarHBondContact O-OG 3.1Å
268N96.7Very high95.3Very high59 Ų5941.9 Ų41.932%0.31622%0.221SC..THydrogen-bonded Turntrans59.921.1-179.1-46.8-75.7000115A264 T265 G270 K295 Y296A264-N268 PolarHBondContact O-N 3.11Å; T265-N268 PolarHBondContact O-N 3.23Å; N268-G270 VanDerWaalsContact C-N 3.3Å; N268-K295 HydrophobicContact CB-CD 4.26Å; N268-K295 HydrophobicContact CB-CG 4.24Å; N268-K295 WeakPolarHBondContact ND2-CE 3.35Å; N268-K295 VanDerWaalsContact OD1-CE 3.29Å; N268-K295 WeakPolarHBondContact OD1-CE 3.44Å; N268-K295 PolarHBondContact OD1-NZ 2.7Å; N268-Y296 VanDerWaalsContact O-CA 3.31Å; N268-Y296 WeakPolarHBondContact O-CA 3.44Å; N268-Y296 WeakPolarHBondContact O-CD1 3.28Å
269A96.7Very high95.4Very high0 Ų038.2 Ų38.20%021%0.213CC..SBendtrans-91.610.617600000113M242 P247 I248 A264 R267 A300M242-A269 HydrophobicContact CE-CB 4.04Å; M242-A269 HydrophobicContact SD-CB 3.58Å; M242-A269 VanDerWaalsContact SD-CB 3.58Å; P247-A269 VanDerWaalsContact CA-O 3.25Å; P247-A269 WeakPolarHBondContact CA-O 3.37Å; P247-A269 WeakPolarHBondContact CB-O 3.39Å; I248-A269 PolarHBondContact N-O 3.35Å; I248-A269 VanDerWaalsContact N-O 3.09Å; A264-A269 PolarHBondContact O-N 2.99Å; R267-A269 PolarHBondContact O-N 3.26Å; A269-A300 HydrophobicContact CB-CB 4.24Å
270G97.8Very high95.6Very high4 Ų441.4 Ų41.44%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-175178.7175.300000114.6I248 T265 N268I248-G270 CarbonylContact O-C 3.53Å; I248-G270 WeakPolarHBondContact O-CA 3.47Å; T265-G270 VanDerWaalsContact CG2-C 3.48Å; T265-G270 VanDerWaalsContact CG2-O 3.24Å; T265-G270 WeakPolarHBondContact CG2-O 3.46Å; N268-G270 VanDerWaalsContact C-N 3.3Å
271I98.1Very high95.9Very high24 Ų2445.8 Ų45.812%0.12325%0.247CC..EExtended strand (participates in β ladder)trans-124.1129.6-179.7-62170.5000108.5I248 V249 G250 A286 M289 L290 Y296I248-I271 PolarHBondContact O-N 3.31Å; V249-I271 CarbonylContact C-O 3.58Å; V249-I271 WeakPolarHBondContact CA-O 3.21Å; V249-I271 HydrophobicContact CG2-CB 4.45Å; G250-I271 PolarHBondContact N-O 3.38Å; I271-A286 VanDerWaalsContact CD1-O 3.31Å; I271-A286 WeakPolarHBondContact CD1-O 3.29Å; I271-A286 HydrophobicContact CG2-CB 4.3Å; I271-M289 HydrophobicContact CD1-CB 3.87Å; I271-M289 HydrophobicContact CD1-CG 3.73Å; I271-M289 HydrophobicContact CD1-SD 3.95Å; I271-L290 HydrophobicContact CD1-CB 4Å; I271-L290 HydrophobicContact CD1-CD1 4.02Å; I271-L290 HydrophobicContact CG1-CD1 4.12Å; I271-Y296 HydrophobicContact CD1-CE1 4.21Å; I271-Y296 HydrophobicContact CD1-CE2 4.18Å; I271-Y296 HydrophobicContact CG1-CD1 4.32Å; I271-Y296 HydrophobicContact CG1-CE1 3.63Å; I271-Y296 HydrophobicContact CG1-CE2 4.48Å
272L97.5Very high96Very high45 Ų4546.8 Ų46.824%0.23626%0.256CS..EExtended strand (participates in β ladder)trans-90.6118.1173.817767.4000109.2P252 R258 I261 V262 T265 P274P252-L272 HydrophobicContact CG-CD1 3.81Å; R258-L272 HydrophobicContact CG-CD1 4.2Å; R258-L272 HydrophobicContact CG-CD2 4.23Å; I261-L272 HydrophobicContact CB-CD1 4.02Å; I261-L272 HydrophobicContact CD1-CD1 4.16Å; I261-L272 HydrophobicContact CG2-CB 3.91Å; I261-L272 HydrophobicContact CG2-CD1 3.51Å; I261-L272 HydrophobicContact CG2-CG 4.31Å; V262-L272 HydrophobicContact CG2-CD2 4.33Å; T265-L272 HydrophobicContact CG2-CB 4.01Å; L272-P274 WeakPolarHBondContact O-CD 3.48Å
273L97.5Very high96.1Very high16 Ų1646.5 Ų46.58%0.08425%0.254CS..  trans-110.7100.8174.3179.959.1000109.9V249 G250 I251 P252 K275 L278 A282 I283V249-L273 HydrophobicContact CG1-CB 4.3Å; G250-L273 PolarHBondContact O-N 3.4Å; I251-L273 WeakPolarHBondContact CA-O 3.44Å; I251-L273 HydrophobicContact CD1-CD2 4.42Å; I251-L273 HydrophobicContact CG1-CB 4.24Å; I251-L273 HydrophobicContact CG1-CD2 4.28Å; P252-L273 WeakPolarHBondContact CD-O 3.4Å; L273-K275 PolarHBondContact O-N 3.17Å; L273-L278 HydrophobicContact CD2-CD1 3.89Å; L273-L278 HydrophobicContact CG-CD1 4.41Å; L273-A282 HydrophobicContact CD1-CB 3.83Å; L273-A282 HydrophobicContact CD2-CB 4.45Å; L273-I283 HydrophobicContact CD2-CG1 4.01Å
274P95.1Very high96.3Very high45 Ų4546.7 Ų46.729%0.29226%0.256SS..  trans-60137.5-179.2-23.333.9000112.1L272 S276 N277L272-P274 WeakPolarHBondContact O-CD 3.48Å; P274-S276 PolarHBondContact O-N 3.02Å; P274-S276 VanDerWaalsContact O-N 3.09Å; P274-N277 PolarHBondContact O-N 2.91Å
275K91.7Very high96.4Very high132 Ų13251.2 Ų51.257%0.57428%0.28SS*.G310 helixtrans-54.3-31176.7-175.8-176.4174.8-174.90113.4L273 N277 L278L273-K275 PolarHBondContact O-N 3.17Å; K275-N277 VanDerWaalsContact C-N 3.25Å; K275-N277 PolarHBondContact O-N 3.06Å; K275-L278 VanDerWaalsContact O-CB 3.3Å; K275-L278 WeakPolarHBondContact O-CB 3.36Å; K275-L278 PolarHBondContact O-N 3.37Å
276S92.1Very high96.5Very high104 Ų10450 Ų5073%0.72727%0.274SS*.G310 helixtrans-65.5-26.9177.455.90000113.7P274P274-S276 PolarHBondContact O-N 3.02Å; P274-S276 VanDerWaalsContact O-N 3.09Å
277N93Very high96.6Very high104 Ų10447.7 Ų47.756%0.55626%0.255SS*.G310 helixtrans-105.815.8-176-61.715000110.9P274 K275 S279 A282P274-N277 PolarHBondContact O-N 2.91Å; K275-N277 VanDerWaalsContact C-N 3.25Å; K275-N277 PolarHBondContact O-N 3.06Å; N277-S279 PolarHBondContact O-N 2.81Å; N277-A282 WeakPolarHBondContact O-CB 3.46Å
278L95.3Very high96.8Very high37 Ų3748.6 Ų48.619%0.19426%0.262CS..  trans-73.2110.7-175.3-168.869.2000109.8M170 F171 I251 L273 K275 I283M170-L278 HydrophobicContact CE-CD2 3.65Å; M170-L278 HydrophobicContact CE-CG 3.62Å; M170-L278 HydrophobicContact SD-CG 4.36Å; F171-L278 HydrophobicContact CE2-CD2 4.14Å; F171-L278 HydrophobicContact CZ-CD1 4.3Å; F171-L278 HydrophobicContact CZ-CD2 3.89Å; I251-L278 HydrophobicContact CD1-CD1 3.98Å; I251-L278 HydrophobicContact CG2-CD1 4.14Å; L273-L278 HydrophobicContact CD2-CD1 3.89Å; L273-L278 HydrophobicContact CG-CD1 4.41Å; K275-L278 VanDerWaalsContact O-CB 3.3Å; K275-L278 WeakPolarHBondContact O-CB 3.36Å; K275-L278 PolarHBondContact O-N 3.37Å; L278-I283 HydrophobicContact CD1-CD1 3.88Å; L278-I283 HydrophobicContact CD1-CG1 3.82Å; L278-I283 HydrophobicContact CG-CD1 4.45Å
279S97.6Very high96.8Very high38 Ų3850.6 Ų50.627%0.26627%0.271SS..  trans-137.2169.7172860000109.9N277 E281 A282 I283N277-S279 PolarHBondContact O-N 2.81Å; S279-E281 VanDerWaalsContact C-N 3.31Å; S279-E281 WeakPolarHBondContact CB-OE2 3.36Å; S279-E281 PolarHBondContact O-N 2.89Å; S279-E281 PolarHBondContact OG-N 3.09Å; S279-E281 PolarHBondContact OG-OE2 3.01Å; S279-A282 PolarHBondContact O-N 2.95Å; S279-A282 PolarHBondContact OG-N 2.82Å; S279-A282 VanDerWaalsContact OG-N 3.12Å; S279-I283 WeakPolarHBondContact O-CD1 3.39Å; S279-I283 VanDerWaalsContact O-CG1 3.32Å; S279-I283 WeakPolarHBondContact O-CG1 3.26Å; S279-I283 PolarHBondContact O-N 2.92Å; S279-I283 VanDerWaalsContact O-N 3.12Å
280K97.7Very high96.9Very high72 Ų7250.9 Ų50.931%0.31327%0.272SS..Hα-helixtrans-54.2-50.5172.2172.7-164.2170.9-171.70110.9M170 E173 A174 I283 V284M170-K280 HydrophobicContact CG-CB 4.37Å; E173-K280 HydrophobicContact CB-CD 4.1Å; E173-K280 HydrophobicContact CB-CG 4.35Å; A174-K280 HydrophobicContact CB-CG 4.15Å; K280-I283 PolarHBondContact O-N 3.4Å; K280-V284 WeakPolarHBondContact O-CG2 3.49Å; K280-V284 PolarHBondContact O-N 3.35Å
281E98.3Very high96.8Very high107 Ų10753.1 Ų53.150%0.529%0.285SS..Hα-helixtrans-61.3-47.5-178-5967.4-143.200110.1S279 I283 V284 D285S279-E281 VanDerWaalsContact C-N 3.31Å; S279-E281 WeakPolarHBondContact CB-OE2 3.36Å; S279-E281 PolarHBondContact O-N 2.89Å; S279-E281 PolarHBondContact OG-N 3.09Å; S279-E281 PolarHBondContact OG-OE2 3.01Å; E281-I283 VanDerWaalsContact C-N 3.3Å; E281-I283 PolarHBondContact O-N 3.24Å; E281-V284 PolarHBondContact O-N 2.74Å; E281-V284 VanDerWaalsContact O-N 3.14Å; E281-D285 WeakPolarHBondContact O-CB 3.4Å; E281-D285 PolarHBondContact O-N 3.26Å
282A98.2Very high96.7Very high22 Ų2256.7 Ų56.718%0.18231%0.313CS..Hα-helixtrans-62.8-34.9-17900000113.1L273 N277 S279 A286L273-A282 HydrophobicContact CD1-CB 3.83Å; L273-A282 HydrophobicContact CD2-CB 4.45Å; N277-A282 WeakPolarHBondContact O-CB 3.46Å; S279-A282 PolarHBondContact O-N 2.95Å; S279-A282 PolarHBondContact OG-N 2.82Å; S279-A282 VanDerWaalsContact OG-N 3.12Å; A282-A286 WeakPolarHBondContact O-CB 3.5Å; A282-A286 PolarHBondContact O-N 2.95Å; A282-A286 VanDerWaalsContact O-N 3.08Å
283I98.4Very high96.7Very high3 Ų357.9 Ų57.92%0.01532%0.319CS..Hα-helixtrans-68.9-47174.3-66.4160.9000110.5M170 F171 A174 F175 L273 L278 S279 K280 E281 A286 V287M170-I283 HydrophobicContact CE-CD1 4.06Å; F171-I283 HydrophobicContact CD1-CD1 3.58Å; F171-I283 HydrophobicContact CE1-CD1 3.45Å; F171-I283 VanDerWaalsContact CE1-CD1 3.45Å; F171-I283 HydrophobicContact CE1-CG1 4.32Å; F171-I283 HydrophobicContact CG-CD1 4.42Å; F171-I283 HydrophobicContact CZ-CD1 4.2Å; A174-I283 HydrophobicContact CB-CB 3.98Å; A174-I283 HydrophobicContact CB-CD1 4.09Å; A174-I283 HydrophobicContact CB-CG2 3.87Å; F175-I283 HydrophobicContact CE1-CG2 4.13Å; L273-I283 HydrophobicContact CD2-CG1 4.01Å; L278-I283 HydrophobicContact CD1-CD1 3.88Å; L278-I283 HydrophobicContact CD1-CG1 3.82Å; L278-I283 HydrophobicContact CG-CD1 4.45Å; S279-I283 WeakPolarHBondContact O-CD1 3.39Å; S279-I283 VanDerWaalsContact O-CG1 3.32Å; S279-I283 WeakPolarHBondContact O-CG1 3.26Å; S279-I283 PolarHBondContact O-N 2.92Å; S279-I283 VanDerWaalsContact O-N 3.12Å; K280-I283 PolarHBondContact O-N 3.4Å; E281-I283 VanDerWaalsContact C-N 3.3Å; E281-I283 PolarHBondContact O-N 3.24Å; I283-A286 PolarHBondContact O-N 3.1Å; I283-V287 WeakPolarHBondContact O-CG2 3.29Å; I283-V287 PolarHBondContact O-N 3.22Å
284V98.4Very high96.6Very high14 Ų1460.4 Ų60.49%0.08534%0.338CS..Hα-helixtrans-61.2-48.6-179.8170.70000110.5A174 A177 L178 K280 E281 A286 V287 Q288A174-V284 HydrophobicContact CB-CG2 4.27Å; A174-V284 WeakPolarHBondContact O-CG2 3.43Å; A177-V284 HydrophobicContact CB-CG2 4.02Å; L178-V284 HydrophobicContact CD2-CB 4.48Å; L178-V284 HydrophobicContact CD2-CG1 4.34Å; L178-V284 HydrophobicContact CD2-CG2 4.33Å; K280-V284 WeakPolarHBondContact O-CG2 3.49Å; K280-V284 PolarHBondContact O-N 3.35Å; E281-V284 PolarHBondContact O-N 2.74Å; E281-V284 VanDerWaalsContact O-N 3.14Å; V284-A286 PolarHBondContact O-N 3.35Å; V284-V287 PolarHBondContact O-N 2.8Å; V284-Q288 HydrophobicContact CG1-CG 4.3Å; V284-Q288 VanDerWaalsContact CG1-NE2 3.34Å; V284-Q288 WeakPolarHBondContact O-CB 3.21Å; V284-Q288 VanDerWaalsContact O-CG 3.28Å; V284-Q288 WeakPolarHBondContact O-CG 3.18Å; V284-Q288 PolarHBondContact O-N 3.35Å
285D98.3Very high96.7Very high95 Ų9562.4 Ų62.451%0.50834%0.342SS..Hα-helixtrans-62.5-43179.8-67.1-13.2000111.3E281 V287 Q288 M289E281-D285 WeakPolarHBondContact O-CB 3.4Å; E281-D285 PolarHBondContact O-N 3.26Å; D285-V287 PolarHBondContact O-N 2.88Å; D285-Q288 PolarHBondContact O-N 3.04Å; D285-M289 VanDerWaalsContact O-CB 3.26Å; D285-M289 WeakPolarHBondContact O-CB 3.39Å; D285-M289 PolarHBondContact O-N 3.06Å
286A98.3Very high96.9Very high8 Ų857.7 Ų57.77%0.06632%0.321CS..Hα-helixtrans-62.7-44177.500000111.9V249 I271 A282 I283 V284 M289 L290V249-A286 HydrophobicContact CG1-CB 3.92Å; V249-A286 HydrophobicContact CG2-CB 4.2Å; I271-A286 VanDerWaalsContact CD1-O 3.31Å; I271-A286 WeakPolarHBondContact CD1-O 3.29Å; I271-A286 HydrophobicContact CG2-CB 4.3Å; A282-A286 WeakPolarHBondContact O-CB 3.5Å; A282-A286 PolarHBondContact O-N 2.95Å; A282-A286 VanDerWaalsContact O-N 3.08Å; I283-A286 PolarHBondContact O-N 3.1Å; V284-A286 PolarHBondContact O-N 3.35Å; A286-M289 PolarHBondContact O-N 3.45Å; A286-L290 WeakPolarHBondContact O-CB 3.46Å; A286-L290 PolarHBondContact O-N 2.97Å
287V98.2Very high97.1Very high1 Ų156.1 Ų56.11%0.00630%0.301CS..Hα-helixtrans-68.4-41.5177.4174.70000111.1I150 L178 I230 I283 V284 D285 M289 L290 T291I150-V287 HydrophobicContact CD1-CG1 4.25Å; I150-V287 HydrophobicContact CG1-CG1 4.09Å; L178-V287 HydrophobicContact CD1-CB 4.35Å; L178-V287 HydrophobicContact CD1-CG1 4.07Å; L178-V287 HydrophobicContact CD1-CG2 4.24Å; L178-V287 HydrophobicContact CD2-CB 3.85Å; L178-V287 HydrophobicContact CD2-CG1 3.77Å; I230-V287 HydrophobicContact CD1-CG2 3.84Å; I230-V287 HydrophobicContact CG1-CG2 4.21Å; I283-V287 WeakPolarHBondContact O-CG2 3.29Å; I283-V287 PolarHBondContact O-N 3.22Å; V284-V287 PolarHBondContact O-N 2.8Å; D285-V287 PolarHBondContact O-N 2.88Å; V287-M289 PolarHBondContact O-N 3.26Å; V287-L290 PolarHBondContact O-N 3.44Å; V287-T291 HydrophobicContact CG1-CG2 4.24Å; V287-T291 WeakPolarHBondContact O-CB 3.11Å; V287-T291 VanDerWaalsContact O-CG2 3.29Å; V287-T291 WeakPolarHBondContact O-CG2 3.38Å; V287-T291 PolarHBondContact O-N 3.35Å; V287-T291 PolarHBondContact O-OG1 2.99Å
288Q97.7Very high97.2Very high91 Ų9157 Ų5743%0.42530%0.302SS..Hα-helixtrans-61.5-44.4175.6-74.4179.34.300111.4V284 D285 T291 S292V284-Q288 HydrophobicContact CG1-CG 4.3Å; V284-Q288 VanDerWaalsContact CG1-NE2 3.34Å; V284-Q288 WeakPolarHBondContact O-CB 3.21Å; V284-Q288 VanDerWaalsContact O-CG 3.28Å; V284-Q288 WeakPolarHBondContact O-CG 3.18Å; V284-Q288 PolarHBondContact O-N 3.35Å; D285-Q288 PolarHBondContact O-N 3.04Å; Q288-T291 PolarHBondContact O-N 2.77Å; Q288-T291 PolarHBondContact O-OG1 3.2Å; Q288-S292 WeakPolarHBondContact O-CB 3.4Å; Q288-S292 PolarHBondContact O-N 3.18Å; Q288-S292 PolarHBondContact O-OG 3.5Å
289M97.8Very high97.3Very high101 Ų10156.7 Ų56.750%0.49830%0.303SS..Hα-helixtrans-61.9-45.6175.8179.2176-90.700111.7I271 D285 A286 V287 T291 N293 Y296I271-M289 HydrophobicContact CD1-CB 3.87Å; I271-M289 HydrophobicContact CD1-CG 3.73Å; I271-M289 HydrophobicContact CD1-SD 3.95Å; D285-M289 VanDerWaalsContact O-CB 3.26Å; D285-M289 WeakPolarHBondContact O-CB 3.39Å; D285-M289 PolarHBondContact O-N 3.06Å; A286-M289 PolarHBondContact O-N 3.45Å; V287-M289 PolarHBondContact O-N 3.26Å; M289-T291 VanDerWaalsContact C-N 3.29Å; M289-T291 PolarHBondContact O-N 3.45Å; M289-N293 WeakPolarHBondContact O-CB 3.34Å; M289-N293 PolarHBondContact O-N 3.27Å; M289-Y296 HydrophobicContact CG-CE2 3.8Å; M289-Y296 WeakPolarHBondContact O-CE2 3.35Å; M289-Y296 PolarHBondContact SD-OH 3.47Å
290L98Very high97.2Very high6 Ų654.9 Ų54.93%0.03129%0.29CS..Hα-helixtrans-59.8-40.1178.4-164.286.1000112.2P247 I248 V249 I271 A286 V287 Y296P247-L290 HydrophobicContact CB-CD1 3.93Å; P247-L290 HydrophobicContact CB-CD2 4.45Å; P247-L290 HydrophobicContact CB-CG 4.21Å; P247-L290 HydrophobicContact CG-CD1 4.36Å; P247-L290 HydrophobicContact CG-CD2 4.13Å; P247-L290 HydrophobicContact CG-CG 4.08Å; I248-L290 WeakPolarHBondContact O-CD1 3.48Å; V249-L290 HydrophobicContact CG2-CB 4.23Å; V249-L290 HydrophobicContact CG2-CD1 4.16Å; V249-L290 HydrophobicContact CG2-CD2 4.04Å; V249-L290 HydrophobicContact CG2-CG 4.37Å; I271-L290 HydrophobicContact CD1-CB 4Å; I271-L290 HydrophobicContact CD1-CD1 4.02Å; I271-L290 HydrophobicContact CG1-CD1 4.12Å; A286-L290 WeakPolarHBondContact O-CB 3.46Å; A286-L290 PolarHBondContact O-N 2.97Å; V287-L290 PolarHBondContact O-N 3.44Å; L290-Y296 HydrophobicContact CD1-CD1 4.28Å; L290-Y296 HydrophobicContact CD1-CG 4.16Å
291T96.1Very high97Very high51 Ų5153 Ų5331%0.31329%0.285SS..Hα-helixtrans-93.1-24-170.756.80000114.3I150 R227 V287 Q288 M289I150-T291 HydrophobicContact CD1-CG2 3.95Å; R227-T291 HydrophobicContact CB-CG2 3.74Å; V287-T291 HydrophobicContact CG1-CG2 4.24Å; V287-T291 WeakPolarHBondContact O-CB 3.11Å; V287-T291 VanDerWaalsContact O-CG2 3.29Å; V287-T291 WeakPolarHBondContact O-CG2 3.38Å; V287-T291 PolarHBondContact O-N 3.35Å; V287-T291 PolarHBondContact O-OG1 2.99Å; Q288-T291 PolarHBondContact O-N 2.77Å; Q288-T291 PolarHBondContact O-OG1 3.2Å; M289-T291 VanDerWaalsContact C-N 3.29Å; M289-T291 PolarHBondContact O-N 3.45Å
292S95.6Very high96.7Very high99 Ų9949.3 Ų49.369%0.69228%0.275SS*.Hα-helixtrans-87.9-27178.660.50000113.5Q288Q288-S292 WeakPolarHBondContact O-CB 3.4Å; Q288-S292 PolarHBondContact O-N 3.18Å; Q288-S292 PolarHBondContact O-OG 3.5Å
293N96.6Very high96.4Very high70 Ų7048.8 Ų48.837%0.37427%0.269SS..  trans-99.1111.3-178.8-172.1-17.5000110.9M289 K295 Y296M289-N293 WeakPolarHBondContact O-CB 3.34Å; M289-N293 PolarHBondContact O-N 3.27Å; N293-K295 PolarHBondContact O-N 3.4Å; N293-K295 VanDerWaalsContact O-N 3.12Å; N293-K295 WeakPolarHBondContact OD1-CB 3.44Å; N293-K295 PolarHBondContact OD1-N 3.48Å; N293-K295 VanDerWaalsContact OD1-N 3.12Å; N293-Y296 HydrophobicContact CB-CD2 3.9Å; N293-Y296 HydrophobicContact CB-CE2 3.92Å; N293-Y296 PolarHBondContact O-N 3.27Å
294S95.2Very high96.2Very high69 Ų6948.7 Ų48.748%0.48327%0.268SS..Hα-helixtrans-59.5-26.8-176.767.70000113.2Y296 K297 E298S294-Y296 PolarHBondContact O-N 2.84Å; S294-Y296 VanDerWaalsContact O-N 3.08Å; S294-K297 PolarHBondContact O-N 3.03Å; S294-E298 WeakPolarHBondContact CB-OE1 3.48Å; S294-E298 WeakPolarHBondContact O-CB 3.39Å; S294-E298 WeakPolarHBondContact O-CG 3.33Å; S294-E298 PolarHBondContact O-N 2.89Å; S294-E298 PolarHBondContact OG-OE1 3.12Å
295K97.3Very high95.9Very high87 Ų8753 Ų5338%0.37829%0.288SS..Hα-helixtrans-48.9-39.6178.2-175.8-174.2179-162.10113N268 N293 S299N268-K295 HydrophobicContact CB-CD 4.26Å; N268-K295 HydrophobicContact CB-CG 4.24Å; N268-K295 WeakPolarHBondContact ND2-CE 3.35Å; N268-K295 VanDerWaalsContact OD1-CE 3.29Å; N268-K295 WeakPolarHBondContact OD1-CE 3.44Å; N268-K295 PolarHBondContact OD1-NZ 2.7Å; N293-K295 PolarHBondContact O-N 3.4Å; N293-K295 VanDerWaalsContact O-N 3.12Å; N293-K295 WeakPolarHBondContact OD1-CB 3.44Å; N293-K295 PolarHBondContact OD1-N 3.48Å; N293-K295 VanDerWaalsContact OD1-N 3.12Å; K295-S299 VanDerWaalsContact O-CB 3.26Å; K295-S299 WeakPolarHBondContact O-CB 3.3Å; K295-S299 PolarHBondContact O-N 3.15Å; K295-S299 PolarHBondContact O-OG 3.01Å
296Y97.7Very high95.6Very high32 Ų3252.9 Ų52.913%0.12529%0.287CS..Hα-helixtrans-67.3-45.7-179.8-64.6-74.6000112N268 I271 M289 L290 N293 S294 A300N268-Y296 VanDerWaalsContact O-CA 3.31Å; N268-Y296 WeakPolarHBondContact O-CA 3.44Å; N268-Y296 WeakPolarHBondContact O-CD1 3.28Å; I271-Y296 HydrophobicContact CD1-CE1 4.21Å; I271-Y296 HydrophobicContact CD1-CE2 4.18Å; I271-Y296 HydrophobicContact CG1-CD1 4.32Å; I271-Y296 HydrophobicContact CG1-CE1 3.63Å; I271-Y296 HydrophobicContact CG1-CE2 4.48Å; M289-Y296 HydrophobicContact CG-CE2 3.8Å; M289-Y296 WeakPolarHBondContact O-CE2 3.35Å; M289-Y296 PolarHBondContact SD-OH 3.47Å; L290-Y296 HydrophobicContact CD1-CD1 4.28Å; L290-Y296 HydrophobicContact CD1-CG 4.16Å; N293-Y296 HydrophobicContact CB-CD2 3.9Å; N293-Y296 HydrophobicContact CB-CE2 3.92Å; N293-Y296 PolarHBondContact O-N 3.27Å; S294-Y296 PolarHBondContact O-N 2.84Å; S294-Y296 VanDerWaalsContact O-N 3.08Å; Y296-A300 WeakPolarHBondContact O-CB 3.42Å; Y296-A300 PolarHBondContact O-N 2.78Å
297K95.2Very high95.2Very high71 Ų7153.2 Ų53.231%0.30929%0.287SS..Hα-helixtrans-68.4-43.7177.9179.960.3-179.6176.90111.3G245 S294 S299 A300 V301G245-K297 WeakPolarHBondContact O-CD 3.09Å; G245-K297 WeakPolarHBondContact O-CE 3.3Å; G245-K297 PolarHBondContact O-NZ 3.14Å; S294-K297 PolarHBondContact O-N 3.03Å; K297-S299 VanDerWaalsContact C-N 3.33Å; K297-S299 PolarHBondContact O-N 2.94Å; K297-A300 PolarHBondContact O-N 3.3Å; K297-V301 HydrophobicContact CD-CG2 4.13Å; K297-V301 HydrophobicContact CG-CG2 4.44Å; K297-V301 WeakPolarHBondContact O-CB 3.45Å; K297-V301 VanDerWaalsContact O-CG2 3.28Å; K297-V301 WeakPolarHBondContact O-CG2 3.49Å; K297-V301 PolarHBondContact O-N 3.42Å
298E95.7Very high94.8Very high123 Ų12355.9 Ų55.958%0.57530%0.299SS*.Hα-helixtrans-58.2-45.8176.2-71.9166.4-157.700111.2S294 V301 G302S294-E298 WeakPolarHBondContact CB-OE1 3.48Å; S294-E298 WeakPolarHBondContact O-CB 3.39Å; S294-E298 WeakPolarHBondContact O-CG 3.33Å; S294-E298 PolarHBondContact O-N 2.89Å; S294-E298 PolarHBondContact OG-OE1 3.12Å; E298-V301 PolarHBondContact O-N 3.24Å; E298-G302 PolarHBondContact O-N 3.19Å
299S96.1Very high94.5Very high31 Ų3158.6 Ų58.622%0.21732%0.317CS..Hα-helixtrans-66.2-41178.4-56.50000112.2R267 K295 K297 G302 F303R267-S299 VanDerWaalsContact O-CB 3.27Å; R267-S299 WeakPolarHBondContact O-CB 3.22Å; R267-S299 PolarHBondContact O-OG 3.1Å; K295-S299 VanDerWaalsContact O-CB 3.26Å; K295-S299 WeakPolarHBondContact O-CB 3.3Å; K295-S299 PolarHBondContact O-N 3.15Å; K295-S299 PolarHBondContact O-OG 3.01Å; K297-S299 VanDerWaalsContact C-N 3.33Å; K297-S299 PolarHBondContact O-N 2.94Å; S299-G302 PolarHBondContact O-N 3.08Å; S299-F303 WeakPolarHBondContact O-CB 3.44Å; S299-F303 PolarHBondContact O-N 2.95Å
300A95.4Very high94.1Very high0 Ų056.5 Ų56.50%031%0.309CS..Hα-helixtrans-64.5-39.5175.600000111.9M242 G245 P247 A269 Y296 K297 F303 M304M242-A300 HydrophobicContact CE-CB 4.31Å; G245-A300 WeakPolarHBondContact CA-O 3.33Å; P247-A300 HydrophobicContact CB-CB 4.12Å; A269-A300 HydrophobicContact CB-CB 4.24Å; Y296-A300 WeakPolarHBondContact O-CB 3.42Å; Y296-A300 PolarHBondContact O-N 2.78Å; K297-A300 PolarHBondContact O-N 3.3Å; A300-F303 PolarHBondContact O-N 3.22Å; A300-M304 PolarHBondContact O-N 3.31Å
301V94.2Very high93.8Very high33 Ų3362.2 Ų62.220%0.235%0.347CS..Hα-helixtrans-65.4-47.4176.1167.50000111.3K297 E298 F303 M304 E305K297-V301 HydrophobicContact CD-CG2 4.13Å; K297-V301 HydrophobicContact CG-CG2 4.44Å; K297-V301 WeakPolarHBondContact O-CB 3.45Å; K297-V301 VanDerWaalsContact O-CG2 3.28Å; K297-V301 WeakPolarHBondContact O-CG2 3.49Å; K297-V301 PolarHBondContact O-N 3.42Å; E298-V301 PolarHBondContact O-N 3.24Å; V301-F303 PolarHBondContact O-N 2.72Å; V301-M304 HydrophobicContact CB-CE 4.32Å; V301-M304 HydrophobicContact CG1-CE 3.84Å; V301-M304 WeakPolarHBondContact O-CB 3.13Å; V301-M304 WeakPolarHBondContact O-CE 3.3Å; V301-M304 PolarHBondContact O-N 2.78Å; V301-M304 VanDerWaalsContact O-N 3.16Å; V301-E305 PolarHBondContact O-N 3.4Å
302G93Very high93.6Very high29 Ų2964.4 Ų64.430%0.29935%0.35SS..Hα-helixtrans-60-34.3175.900000112.1E298 S299 E305 L306E298-G302 PolarHBondContact O-N 3.19Å; S299-G302 PolarHBondContact O-N 3.08Å; G302-E305 PolarHBondContact O-N 3.47Å; G302-L306 WeakPolarHBondContact O-CG 3.45Å; G302-L306 PolarHBondContact O-N 2.96Å
303F92.3Very high93.4Very high10 Ų1063.2 Ų63.24%0.04434%0.339CS..Hα-helixtrans-70.7-39.9176.4-157.5-85.3000113.3F91 M242 S299 A300 V301 E305 L306 L307F91-F303 VanDerWaalsContact CA-CZ 3.43Å; F91-F303 HydrophobicContact CB-CE1 4.01Å; F91-F303 HydrophobicContact CB-CZ 3.8Å; F91-F303 AromaticContact CD2-CE1 3.52Å; F91-F303 HydrophobicContact CD2-CE1 3.52Å; F91-F303 AromaticContact CD2-CZ 3.41Å; F91-F303 HydrophobicContact CD2-CZ 3.41Å; F91-F303 VanDerWaalsContact CD2-CZ 3.41Å; F91-F303 HydrophobicContact CE2-CE1 4.46Å; F91-F303 HydrophobicContact CE2-CZ 4.28Å; F91-F303 HydrophobicContact CG-CE1 4.22Å; F91-F303 AromaticContact CG-CZ 3.95Å; F91-F303 HydrophobicContact CG-CZ 3.95Å; M242-F303 HydrophobicContact CB-CD1 3.64Å; M242-F303 HydrophobicContact CB-CE1 3.77Å; M242-F303 HydrophobicContact CG-CD1 4.01Å; M242-F303 HydrophobicContact CG-CE1 3.93Å; M242-F303 HydrophobicContact SD-CD1 4.23Å; M242-F303 HydrophobicContact SD-CG 4.42Å; S299-F303 WeakPolarHBondContact O-CB 3.44Å; S299-F303 PolarHBondContact O-N 2.95Å; A300-F303 PolarHBondContact O-N 3.22Å; V301-F303 PolarHBondContact O-N 2.72Å; F303-E305 VanDerWaalsContact C-N 3.31Å; F303-E305 PolarHBondContact O-N 3.43Å; F303-L306 WeakPolarHBondContact O-CB 3.21Å; F303-L306 PolarHBondContact O-N 3.41Å; F303-L307 HydrophobicContact CD1-CD1 3.77Å; F303-L307 HydrophobicContact CD1-CD2 4.5Å; F303-L307 HydrophobicContact CD1-CG 3.85Å; F303-L307 HydrophobicContact CE1-CD1 3.74Å; F303-L307 HydrophobicContact CE1-CD2 4.12Å; F303-L307 HydrophobicContact CE1-CG 3.92Å; F303-L307 WeakPolarHBondContact O-CG 3.41Å; F303-L307 PolarHBondContact O-N 3.47Å
304M92.2Very high93.1Very high1 Ų161 Ų611%0.00533%0.327CS..Hα-helixtrans-58.4-43.3172162.7-165.470.200111.6L221 M242 W243 A300 V301 L306 L307 Q308L221-M304 HydrophobicContact CB-CE 3.52Å; L221-M304 HydrophobicContact CB-SD 3.61Å; L221-M304 HydrophobicContact CD1-CE 3.67Å; L221-M304 HydrophobicContact CD2-CE 3.35Å; L221-M304 HydrophobicContact CD2-SD 3.58Å; L221-M304 VanDerWaalsContact CD2-SD 3.58Å; L221-M304 HydrophobicContact CG-CE 3.62Å; L221-M304 HydrophobicContact CG-SD 4.08Å; M242-M304 VanDerWaalsContact O-CA 3.3Å; M242-M304 WeakPolarHBondContact O-CA 3.34Å; M242-M304 VanDerWaalsContact O-CB 3.23Å; M242-M304 WeakPolarHBondContact O-CB 3.45Å; M242-M304 PolarHBondContact O-N 2.86Å; W243-M304 VanDerWaalsContact O-CG 3.28Å; W243-M304 WeakPolarHBondContact O-CG 3.46Å; A300-M304 PolarHBondContact O-N 3.31Å; V301-M304 HydrophobicContact CB-CE 4.32Å; V301-M304 HydrophobicContact CG1-CE 3.84Å; V301-M304 WeakPolarHBondContact O-CB 3.13Å; V301-M304 WeakPolarHBondContact O-CE 3.3Å; V301-M304 PolarHBondContact O-N 2.78Å; V301-M304 VanDerWaalsContact O-N 3.16Å; M304-L306 VanDerWaalsContact C-N 3.27Å; M304-L306 PolarHBondContact O-N 3.11Å; M304-L307 PolarHBondContact O-N 2.94Å; M304-Q308 HydrophobicContact CG-CG 4.21Å; M304-Q308 WeakPolarHBondContact O-CB 3.34Å; M304-Q308 WeakPolarHBondContact O-CG 3.23Å; M304-Q308 PolarHBondContact O-N 3.48Å
305E92.4Very high93Very high106 Ų10663.1 Ų63.150%0.49533%0.332SS..Hα-helixtrans-56.7-44.8177.1-69.9173.817700110.6V301 G302 F303 L307 Q308 D309V301-E305 PolarHBondContact O-N 3.4Å; G302-E305 PolarHBondContact O-N 3.47Å; F303-E305 VanDerWaalsContact C-N 3.31Å; F303-E305 PolarHBondContact O-N 3.43Å; E305-L307 VanDerWaalsContact C-N 3.31Å; E305-L307 PolarHBondContact O-N 3.06Å; E305-Q308 PolarHBondContact O-N 3.31Å; E305-D309 WeakPolarHBondContact O-CB 3.3Å; E305-D309 PolarHBondContact O-N 3.28Å
306L92.1Very high92.8Very high92 Ų9263.5 Ų63.548%0.48234%0.338SS..Hα-helixtrans-62.9-33.6175.4-64.2172.4000113.8L90 G302 F303 M304L90-L306 HydrophobicContact CD1-CB 4.06Å; L90-L306 HydrophobicContact CD1-CD2 4.37Å; G302-L306 WeakPolarHBondContact O-CG 3.45Å; G302-L306 PolarHBondContact O-N 2.96Å; F303-L306 WeakPolarHBondContact O-CB 3.21Å; F303-L306 PolarHBondContact O-N 3.41Å; M304-L306 VanDerWaalsContact C-N 3.27Å; M304-L306 PolarHBondContact O-N 3.11Å
307L90.8Very high92.7Very high14 Ų1463.2 Ų63.27%0.07334%0.338CS..Hα-helixtrans-81.7-26.3-179.5-68.7-172.9000113.5P88 F91 M242 W243 F303 M304 E305P88-L307 HydrophobicContact CB-CD2 3.39Å; P88-L307 HydrophobicContact CG-CD2 3.84Å; F91-L307 HydrophobicContact CB-CD2 4.47Å; M242-L307 HydrophobicContact CB-CD1 3.97Å; W243-L307 HydrophobicContact CB-CD1 4.24Å; F303-L307 HydrophobicContact CD1-CD1 3.77Å; F303-L307 HydrophobicContact CD1-CD2 4.5Å; F303-L307 HydrophobicContact CD1-CG 3.85Å; F303-L307 HydrophobicContact CE1-CD1 3.74Å; F303-L307 HydrophobicContact CE1-CD2 4.12Å; F303-L307 HydrophobicContact CE1-CG 3.92Å; F303-L307 WeakPolarHBondContact O-CG 3.41Å; F303-L307 PolarHBondContact O-N 3.47Å; M304-L307 PolarHBondContact O-N 2.94Å; E305-L307 VanDerWaalsContact C-N 3.31Å; E305-L307 PolarHBondContact O-N 3.06Å
308Q89.3Confident92.7Very high58 Ų5860.5 Ų60.527%0.27133%0.328SS..Hα-helixtrans-97.5-23-177.9-66.9-17011.900113W243 M304 E305 V310W243-Q308 HydrophobicContact CD2-CG 4.31Å; W243-Q308 HydrophobicContact CZ2-CG 4.06Å; W243-Q308 PolarHBondContact O-NE2 2.92Å; M304-Q308 HydrophobicContact CG-CG 4.21Å; M304-Q308 WeakPolarHBondContact O-CB 3.34Å; M304-Q308 WeakPolarHBondContact O-CG 3.23Å; M304-Q308 PolarHBondContact O-N 3.48Å; E305-Q308 PolarHBondContact O-N 3.31Å; Q308-V310 PolarHBondContact O-N 3.13Å
309D91.1Very high92.7Very high147 Ų14756.6 Ų56.679%0.78632%0.317SS*.  trans-78.368.3176-168.522000111.3E305E305-D309 WeakPolarHBondContact O-CB 3.3Å; E305-D309 PolarHBondContact O-N 3.28Å
310V89.6Confident92.7Very high57 Ų5759.8 Ų59.835%0.34533%0.327SS..  trans-126.1144.6179.5-69.20000110.6Q308 Y312Q308-V310 PolarHBondContact O-N 3.13Å; V310-Y312 WeakPolarHBondContact CG2-O 3.23Å; V310-Y312 PolarHBondContact O-N 2.81Å
311P92.2Very high92.6Very high126 Ų12662.8 Ų62.882%0.81834%0.338SS*.SBendtrans-77.4-4.5-176.530.9-34.6000113.9
312Y91.9Very high92.6Very high97 Ų9764.1 Ų64.138%0.3835%0.346SS..SBendtrans-146160.6-177.947.4-111.5000110.3V310 H317V310-Y312 WeakPolarHBondContact CG2-O 3.23Å; V310-Y312 PolarHBondContact O-N 2.81Å; Y312-H317 HydrophobicContact CD2-CB 3.5Å; Y312-H317 VanDerWaalsContact CD2-CB 3.5Å; Y312-H317 AromaticContact CD2-CG 3.89Å; Y312-H317 HydrophobicContact CE2-CB 3.61Å; Y312-H317 AromaticContact CE2-CG 3.48Å; Y312-H317 VanDerWaalsContact CE2-CG 3.48Å; Y312-H317 AromaticContact CE2-ND1 3.45Å; Y312-H317 WeakPolarHBondContact CE2-ND1 3.27Å; Y312-H317 HydrophobicContact CG-CB 4.09Å; Y312-H317 AromaticContact CZ-CD2 3.91Å; Y312-H317 AromaticContact CZ-CE1 3.78Å; Y312-H317 AromaticContact CZ-CG 3.74Å; Y312-H317 AromaticContact CZ-ND1 3.66Å; Y312-H317 AromaticContact CZ-NE2 3.97Å; Y312-H317 PolarHBondContact OH-CE1 2.89Å
313T90.2Very high92.7Very high75 Ų7567.6 Ų67.646%0.4636%0.355SS..  trans-77.8148.9162.976.60000109.5L315 D316 H317T313-L315 PolarHBondContact O-N 3.5Å; T313-D316 PolarHBondContact O-N 3.45Å; T313-D316 VanDerWaalsContact O-N 3.1Å; T313-D316 WeakPolarHBondContact OG1-CB 3.39Å; T313-D316 PolarHBondContact OG1-N 3.06Å; T313-D316 VanDerWaalsContact OG1-N 3.11Å; T313-D316 PolarHBondContact OG1-OD2 2.93Å; T313-H317 PolarHBondContact O-N 3.49Å
314E91.8Very high92.8Very high24 Ų2469.5 Ų69.511%0.11236%0.363CS..Hα-helixtrans-62-25.9178.5-62.6-64163.300112.4V104 G105 M107 H317 A318V104-E314 WeakPolarHBondContact CA-OE2 3.25Å; G105-E314 WeakPolarHBondContact O-CG 3.48Å; M107-E314 HydrophobicContact CB-CB 4.3Å; M107-E314 HydrophobicContact CG-CB 3.46Å; M107-E314 VanDerWaalsContact CG-CB 3.46Å; E314-H317 IonicContact OE2-ND1 3.64Å; E314-A318 WeakPolarHBondContact O-CB 3.36Å; E314-A318 PolarHBondContact O-N 3.34Å
315L92.1Very high92.8Very high112 Ų11271.3 Ų71.359%0.58637%0.373SS*.Hα-helixtrans-70.2-46.7173.7-179.462.5000111.3T313 H317 A318 A319T313-L315 PolarHBondContact O-N 3.5Å; L315-H317 VanDerWaalsContact C-N 3.27Å; L315-H317 PolarHBondContact O-N 3.34Å; L315-A318 PolarHBondContact O-N 3.45Å; L315-A319 WeakPolarHBondContact O-CB 3.44Å; L315-A319 PolarHBondContact O-N 2.83Å
316D94.6Very high92.8Very high96 Ų9674.5 Ų74.551%0.51339%0.385SS..Hα-helixtrans-62.8-38.4176.4-62-38.1000110.9T313 A319 F320T313-D316 PolarHBondContact O-N 3.45Å; T313-D316 VanDerWaalsContact O-N 3.1Å; T313-D316 WeakPolarHBondContact OG1-CB 3.39Å; T313-D316 PolarHBondContact OG1-N 3.06Å; T313-D316 VanDerWaalsContact OG1-N 3.11Å; T313-D316 PolarHBondContact OG1-OD2 2.93Å; D316-A319 PolarHBondContact O-N 3.38Å; D316-F320 VanDerWaalsContact O-CB 3.28Å; D316-F320 WeakPolarHBondContact O-CB 3.49Å; D316-F320 PolarHBondContact O-N 2.97Å
317H94.6Very high92.9Very high26 Ų2676.3 Ų76.312%0.1239%0.386CS..Hα-helixtrans-62.8-47175.3-173.1-148.7000112F103 Y312 T313 E314 L315 F320 W321F103-H317 PolarHBondContact O-ND1 3.16Å; Y312-H317 HydrophobicContact CD2-CB 3.5Å; Y312-H317 VanDerWaalsContact CD2-CB 3.5Å; Y312-H317 AromaticContact CD2-CG 3.89Å; Y312-H317 HydrophobicContact CE2-CB 3.61Å; Y312-H317 AromaticContact CE2-CG 3.48Å; Y312-H317 VanDerWaalsContact CE2-CG 3.48Å; Y312-H317 AromaticContact CE2-ND1 3.45Å; Y312-H317 WeakPolarHBondContact CE2-ND1 3.27Å; Y312-H317 HydrophobicContact CG-CB 4.09Å; Y312-H317 AromaticContact CZ-CD2 3.91Å; Y312-H317 AromaticContact CZ-CE1 3.78Å; Y312-H317 AromaticContact CZ-CG 3.74Å; Y312-H317 AromaticContact CZ-ND1 3.66Å; Y312-H317 AromaticContact CZ-NE2 3.97Å; Y312-H317 PolarHBondContact OH-CE1 2.89Å; T313-H317 PolarHBondContact O-N 3.49Å; E314-H317 IonicContact OE2-ND1 3.64Å; L315-H317 VanDerWaalsContact C-N 3.27Å; L315-H317 PolarHBondContact O-N 3.34Å; H317-F320 PolarHBondContact O-N 3.15Å; H317-W321 AromaticContact CD2-CD1 3.41Å; H317-W321 VanDerWaalsContact CD2-CD1 3.41Å; H317-W321 AromaticContact CD2-NE1 3.35Å; H317-W321 PolarHBondContact CD2-NE1 3.31Å; H317-W321 AromaticContact CE1-NE1 3.9Å; H317-W321 AromaticContact NE2-CD1 3.38Å; H317-W321 AromaticContact NE2-NE1 2.91Å; H317-W321 PolarHBondContact NE2-NE1 3.01Å; H317-W321 PolarHBondContact O-N 2.86Å
318A94.5Very high92.9Very high13 Ų1380.8 Ų80.811%0.10741%0.406CS..Hα-helixtrans-60.7-47.7175.400000111.6F84 V104 M107 E314 L315 F320 W321 V322F84-A318 HydrophobicContact CE1-CB 4.33Å; V104-A318 HydrophobicContact CB-CB 4.43Å; V104-A318 HydrophobicContact CG1-CB 3.74Å; M107-A318 HydrophobicContact SD-CB 3.77Å; E314-A318 WeakPolarHBondContact O-CB 3.36Å; E314-A318 PolarHBondContact O-N 3.34Å; L315-A318 PolarHBondContact O-N 3.45Å; A318-F320 PolarHBondContact O-N 2.87Å; A318-W321 PolarHBondContact O-N 2.97Å; A318-V322 WeakPolarHBondContact O-CG2 3.28Å; A318-V322 PolarHBondContact O-N 3.37Å
319A96.1Very high92.6Very high41 Ų4185.2 Ų85.234%0.33943%0.427SS..Hα-helixtrans-59.9-47.217900000111.4L315 D316 W321 V322 E323L315-A319 WeakPolarHBondContact O-CB 3.44Å; L315-A319 PolarHBondContact O-N 2.83Å; D316-A319 PolarHBondContact O-N 3.38Å; A319-W321 VanDerWaalsContact C-N 3.31Å; A319-W321 PolarHBondContact O-N 3.18Å; A319-V322 PolarHBondContact O-N 3.03Å; A319-E323 WeakPolarHBondContact O-CG 3.43Å; A319-E323 PolarHBondContact O-N 2.78Å
320F96.2Very high92.1Very high98 Ų9883.5 Ų83.543%0.4341%0.414SS..Hα-helixtrans-53.5-47.5176.7170.3-94.1000112D316 H317 A318 E323 F324D316-F320 VanDerWaalsContact O-CB 3.28Å; D316-F320 WeakPolarHBondContact O-CB 3.49Å; D316-F320 PolarHBondContact O-N 2.97Å; H317-F320 PolarHBondContact O-N 3.15Å; A318-F320 PolarHBondContact O-N 2.87Å; F320-E323 PolarHBondContact O-N 2.77Å; F320-F324 HydrophobicContact CE1-CD2 4.41Å; F320-F324 HydrophobicContact CZ-CD2 4.21Å; F320-F324 VanDerWaalsContact O-CB 3.3Å; F320-F324 WeakPolarHBondContact O-CB 3.4Å; F320-F324 PolarHBondContact O-N 3.4Å
321W94Very high91.8Very high63 Ų6382.3 Ų82.324%0.23941%0.407CS..Hα-helixtrans-69.9-36.4-178.6-84.3114.3000113L82 F84 V102 H317 A318 A319 F324 I325L82-W321 HydrophobicContact CD1-CB 3.75Å; L82-W321 HydrophobicContact CD1-CD2 4.37Å; L82-W321 HydrophobicContact CD1-CE3 4.02Å; L82-W321 HydrophobicContact CD1-CG 4.31Å; L82-W321 HydrophobicContact CD2-CE3 4.2Å; F84-W321 HydrophobicContact CE1-CB 3.97Å; F84-W321 HydrophobicContact CZ-CB 3.94Å; V102-W321 HydrophobicContact CG1-CG 4.06Å; V102-W321 HydrophobicContact CG2-CD2 4Å; V102-W321 HydrophobicContact CG2-CG 3.91Å; H317-W321 AromaticContact CD2-CD1 3.41Å; H317-W321 VanDerWaalsContact CD2-CD1 3.41Å; H317-W321 AromaticContact CD2-NE1 3.35Å; H317-W321 PolarHBondContact CD2-NE1 3.31Å; H317-W321 AromaticContact CE1-NE1 3.9Å; H317-W321 AromaticContact NE2-CD1 3.38Å; H317-W321 AromaticContact NE2-NE1 2.91Å; H317-W321 PolarHBondContact NE2-NE1 3.01Å; H317-W321 PolarHBondContact O-N 2.86Å; A318-W321 PolarHBondContact O-N 2.97Å; A319-W321 VanDerWaalsContact C-N 3.31Å; A319-W321 PolarHBondContact O-N 3.18Å; W321-F324 HydrophobicContact CE3-CB 4.22Å; W321-F324 HydrophobicContact CE3-CD1 4.16Å; W321-F324 HydrophobicContact CE3-CG 4.18Å; W321-F324 HydrophobicContact CZ3-CD1 4.05Å; W321-F324 HydrophobicContact CZ3-CE1 4.33Å; W321-F324 HydrophobicContact CZ3-CG 4.23Å; W321-F324 WeakPolarHBondContact O-CB 3.5Å; W321-F324 PolarHBondContact O-N 3.31Å; W321-I325 WeakPolarHBondContact O-CG1 3.45Å; W321-I325 PolarHBondContact O-N 3.01Å; W321-I325 VanDerWaalsContact O-N 3.11Å
322V93.6Very high91.3Very high61 Ų6179.9 Ų79.937%0.3739%0.391SS..Hα-helixtrans-60.6-50.5171.7170.40000110.2F84 A318 A319 F324 I325 F326F84-V322 HydrophobicContact CE2-CG2 3.84Å; F84-V322 HydrophobicContact CZ-CG2 3.79Å; A318-V322 WeakPolarHBondContact O-CG2 3.28Å; A318-V322 PolarHBondContact O-N 3.37Å; A319-V322 PolarHBondContact O-N 3.03Å; V322-F324 VanDerWaalsContact C-N 3.28Å; V322-F324 PolarHBondContact O-N 3.01Å; V322-I325 PolarHBondContact O-N 3.34Å; V322-F326 HydrophobicContact CG1-CD2 3.87Å; V322-F326 HydrophobicContact CG1-CE2 3.64Å; V322-F326 VanDerWaalsContact O-CD2 3.26Å; V322-F326 WeakPolarHBondContact O-CD2 3.39Å; V322-F326 PolarHBondContact O-N 3.2Å
323E95.8Very high91Very high102 Ų10284.1 Ų84.148%0.47741%0.414SS..Hα-helixtrans-64.1-34.4177.6-64.3175.9179.400112.5A319 F320 I325 F326 R327A319-E323 WeakPolarHBondContact O-CG 3.43Å; A319-E323 PolarHBondContact O-N 2.78Å; F320-E323 PolarHBondContact O-N 2.77Å; E323-I325 VanDerWaalsContact C-N 3.3Å; E323-I325 PolarHBondContact O-N 3.04Å; E323-F326 PolarHBondContact O-N 2.85Å; E323-R327 WeakPolarHBondContact O-CG 3.46Å; E323-R327 PolarHBondContact O-N 3.48Å; E323-R327 IonicContact OE2-NH1 3.79Å; E323-R327 PolarHBondContact OE2-NH1 2.95Å
324F93.8Very high90.8Very high50 Ų5081 Ų8122%0.21940%0.396CS..Hα-helixtrans-58.8-44.5175.5-176.7-81.8000111.2F320 W321 V322 R327 H328 V331F320-F324 HydrophobicContact CE1-CD2 4.41Å; F320-F324 HydrophobicContact CZ-CD2 4.21Å; F320-F324 VanDerWaalsContact O-CB 3.3Å; F320-F324 WeakPolarHBondContact O-CB 3.4Å; F320-F324 PolarHBondContact O-N 3.4Å; W321-F324 HydrophobicContact CE3-CB 4.22Å; W321-F324 HydrophobicContact CE3-CD1 4.16Å; W321-F324 HydrophobicContact CE3-CG 4.18Å; W321-F324 HydrophobicContact CZ3-CD1 4.05Å; W321-F324 HydrophobicContact CZ3-CE1 4.33Å; W321-F324 HydrophobicContact CZ3-CG 4.23Å; W321-F324 WeakPolarHBondContact O-CB 3.5Å; W321-F324 PolarHBondContact O-N 3.31Å; V322-F324 VanDerWaalsContact C-N 3.28Å; V322-F324 PolarHBondContact O-N 3.01Å; F324-R327 PolarHBondContact O-N 2.98Å; F324-H328 AromaticContact CD1-ND1 3.86Å; F324-H328 AromaticContact CD2-CE1 3.83Å; F324-H328 AromaticContact CD2-ND1 3.74Å; F324-H328 HydrophobicContact CE1-CB 4.29Å; F324-H328 AromaticContact CE1-ND1 3.74Å; F324-H328 AromaticContact CE2-CE1 3.57Å; F324-H328 AromaticContact CE2-ND1 3.62Å; F324-H328 AromaticContact CG-ND1 3.85Å; F324-H328 AromaticContact CZ-CE1 3.91Å; F324-H328 AromaticContact CZ-ND1 3.61Å; F324-H328 PolarHBondContact O-N 2.92Å; F324-H328 PolarHBondContact O-ND1 3.5Å; F324-V331 HydrophobicContact CD1-CG2 4.34Å; F324-V331 HydrophobicContact CE1-CG2 3.78Å
325I91.6Very high90.5Very high40 Ų4083.1 Ų83.121%0.20540%0.403CS..Hα-helixtrans-67.3-36175.6-66.3-59.1000111.4L82 W321 V322 E323 R327 Q329 V331L82-I325 HydrophobicContact CD1-CD1 3.97Å; L82-I325 HydrophobicContact CD1-CG1 3.38Å; L82-I325 HydrophobicContact CD2-CD1 4.44Å; L82-I325 HydrophobicContact CG-CD1 3.84Å; L82-I325 HydrophobicContact CG-CG1 3.72Å; W321-I325 WeakPolarHBondContact O-CG1 3.45Å; W321-I325 PolarHBondContact O-N 3.01Å; W321-I325 VanDerWaalsContact O-N 3.11Å; V322-I325 PolarHBondContact O-N 3.34Å; E323-I325 VanDerWaalsContact C-N 3.3Å; E323-I325 PolarHBondContact O-N 3.04Å; I325-R327 VanDerWaalsContact C-N 3.32Å; I325-R327 PolarHBondContact O-N 3.24Å; I325-Q329 WeakPolarHBondContact O-CA 3.19Å; I325-Q329 PolarHBondContact O-N 3.21Å; I325-V331 HydrophobicContact CD1-CG2 3.54Å
326F92.1Very high90.3Very high172 Ų17278.6 Ų78.675%0.75438%0.381SS*.Hα-helixtrans-63.4-38172-81.9-69.1000112.9V322 E323V322-F326 HydrophobicContact CG1-CD2 3.87Å; V322-F326 HydrophobicContact CG1-CE2 3.64Å; V322-F326 VanDerWaalsContact O-CD2 3.26Å; V322-F326 WeakPolarHBondContact O-CD2 3.39Å; V322-F326 PolarHBondContact O-N 3.2Å; E323-F326 PolarHBondContact O-N 2.85Å
327R94.9Very high90Very high131 Ų13176.9 Ų76.949%0.49439%0.385SS..Hα-helixtrans-72.9-38.8-179.6-71.1-174.6-62.2-96.10.4113.5E323 F324 I325E323-R327 WeakPolarHBondContact O-CG 3.46Å; E323-R327 PolarHBondContact O-N 3.48Å; E323-R327 IonicContact OE2-NH1 3.79Å; E323-R327 PolarHBondContact OE2-NH1 2.95Å; F324-R327 PolarHBondContact O-N 2.98Å; I325-R327 VanDerWaalsContact C-N 3.32Å; I325-R327 PolarHBondContact O-N 3.24Å
328H91.2Very high89.7Confident107 Ų10776 Ų7650%0.49538%0.383SS..Hα-helixtrans-111.7-7-171.3-56.293.6000114F324 E330F324-H328 AromaticContact CD1-ND1 3.86Å; F324-H328 AromaticContact CD2-CE1 3.83Å; F324-H328 AromaticContact CD2-ND1 3.74Å; F324-H328 HydrophobicContact CE1-CB 4.29Å; F324-H328 AromaticContact CE1-ND1 3.74Å; F324-H328 AromaticContact CE2-CE1 3.57Å; F324-H328 AromaticContact CE2-ND1 3.62Å; F324-H328 AromaticContact CG-ND1 3.85Å; F324-H328 AromaticContact CZ-CE1 3.91Å; F324-H328 AromaticContact CZ-ND1 3.61Å; F324-H328 PolarHBondContact O-N 2.92Å; F324-H328 PolarHBondContact O-ND1 3.5Å; H328-E330 PolarHBondContact O-N 3.29Å
329Q83.7Confident89.3Confident151 Ų15177 Ų7771%0.70639%0.387SS*.  trans61-117-173.9-55.7178.4-12.200112I325I325-Q329 WeakPolarHBondContact O-CA 3.19Å; I325-Q329 PolarHBondContact O-N 3.21Å
330E79.9Confident88.8Confident111 Ų11182.1 Ų82.152%0.51941%0.408SS..  trans-75.2147.6178.4-62.9-168.116500111.1H328 P332H328-E330 PolarHBondContact O-N 3.29Å; E330-P332 VanDerWaalsContact C-CD 3.41Å; E330-P332 HydrophobicContact CB-CG 4.49Å; E330-P332 VanDerWaalsContact O-CD 3.3Å; E330-P332 WeakPolarHBondContact O-CD 3.3Å
331V82.9Confident88.6Confident32 Ų3281.1 Ų81.119%0.19441%0.407CS..  trans-118.175.8172.5-166.80000108.7F324 I325 H333 A334F324-V331 HydrophobicContact CD1-CG2 4.34Å; F324-V331 HydrophobicContact CE1-CG2 3.78Å; I325-V331 HydrophobicContact CD1-CG2 3.54Å; V331-H333 PolarHBondContact O-N 3.26Å; V331-A334 HydrophobicContact CB-CB 4.06Å; V331-A334 HydrophobicContact CG1-CB 3.67Å; V331-A334 WeakPolarHBondContact O-CB 3.25Å; V331-A334 PolarHBondContact O-N 2.99Å
332P82.8Confident88.5Confident76 Ų7682 Ų8249%0.49442%0.416SS..G310 helixtrans-56.2-35-178.5-25.434.4000112.5E330 A334 R335E330-P332 VanDerWaalsContact C-CD 3.41Å; E330-P332 HydrophobicContact CB-CG 4.49Å; E330-P332 VanDerWaalsContact O-CD 3.3Å; E330-P332 WeakPolarHBondContact O-CD 3.3Å; P332-A334 PolarHBondContact O-N 3.49Å; P332-R335 WeakPolarHBondContact O-CB 3.38Å; P332-R335 PolarHBondContact O-N 3.44Å
333H85.1Confident88.3Confident185 Ų18584.2 Ų84.286%0.85643%0.425SS*.G310 helixtrans-67.3-13.6178.4-58-58.9000114.6V331V331-H333 PolarHBondContact O-N 3.26Å
334A86.1Confident88.2Confident10 Ų1084.2 Ų84.28%0.08343%0.428CS..G310 helixtrans-89.8-5.1173.700000112.7P99 R100 V331 P332P99-A334 HydrophobicContact CB-CB 4.19Å; R100-A334 HydrophobicContact CB-CB 4.11Å; V331-A334 HydrophobicContact CB-CB 4.06Å; V331-A334 HydrophobicContact CG1-CB 3.67Å; V331-A334 WeakPolarHBondContact O-CB 3.25Å; V331-A334 PolarHBondContact O-N 2.99Å; P332-A334 PolarHBondContact O-N 3.49Å
335R85.6Confident88.3Confident68 Ų6885.2 Ų85.226%0.25743%0.433SS..SBendtrans-87.6157.1177.1-59.6-175.2179.6-168.9-4.6110.9N79 P332N79-R335 PolarHBondContact O-NH2 2.88Å; N79-R335 VanDerWaalsContact OD1-CZ 3.3Å; N79-R335 PolarHBondContact OD1-NH1 2.85Å; N79-R335 PolarHBondContact OD1-NH2 3.08Å; P332-R335 WeakPolarHBondContact O-CB 3.38Å; P332-R335 PolarHBondContact O-N 3.44Å
336S87.5Confident88.3Confident18 Ų1887 Ų8713%0.12644%0.438CS..  trans-80.2137.7177.4-172.90000109.8M98 A338 D339M98-S336 VanDerWaalsContact CE-OG 3.29Å; M98-S336 WeakPolarHBondContact CE-OG 3.5Å; S336-A338 PolarHBondContact O-N 3.23Å; S336-A338 VanDerWaalsContact O-N 3.12Å; S336-A338 WeakPolarHBondContact OG-CB 3.38Å; S336-A338 PolarHBondContact OG-N 3.48Å; S336-A338 VanDerWaalsContact OG-N 3.15Å; S336-D339 VanDerWaalsContact O-CB 3.3Å; S336-D339 WeakPolarHBondContact O-CB 3.43Å; S336-D339 PolarHBondContact O-N 3.42Å
337G88Confident88.4Confident59 Ų5984 Ų8461%0.60843%0.425SS*.G310 helixtrans-62.5-13.2166.400000113.1D339G337-D339 PolarHBondContact O-N 3Å; G337-D339 VanDerWaalsContact O-N 3.16Å
338A88.8Confident88.5Confident8 Ų882.5 Ų82.57%0.06643%0.426CS..G310 helixtrans-62.6-12.5167.100000112.8H13 S336 D340 L341 Y346H13-A338 HydrophobicContact CB-CB 4.14Å; H13-A338 WeakPolarHBondContact ND1-CB 3.46Å; S336-A338 PolarHBondContact O-N 3.23Å; S336-A338 VanDerWaalsContact O-N 3.12Å; S336-A338 WeakPolarHBondContact OG-CB 3.38Å; S336-A338 PolarHBondContact OG-N 3.48Å; S336-A338 VanDerWaalsContact OG-N 3.15Å; A338-D340 PolarHBondContact O-N 3.25Å; A338-L341 PolarHBondContact O-N 2.99Å; A338-Y346 HydrophobicContact CB-CD2 3.64Å; A338-Y346 HydrophobicContact CB-CE2 3.68Å
339D85.2Confident88.8Confident35 Ų3580.7 Ų80.719%0.18742%0.423CS..G310 helixtrans-62.2-35.1-177.4-83.2-31.2000113.4H13 R78 S336 G337H13-D339 IonicContact CD2-OD1 3.03Å; H13-D339 PolarHBondContact CD2-OD1 3.31Å; H13-D339 IonicContact CG-OD1 3.66Å; H13-D339 IonicContact NE2-OD1 3.9Å; R78-D339 IonicContact CZ-OD1 3.33Å; R78-D339 IonicContact NE-OD1 2.78Å; R78-D339 PolarHBondContact NE-OD1 2.95Å; R78-D339 PolarHBondContact NH2-O 2.83Å; R78-D339 IonicContact NH2-OD1 3.01Å; R78-D339 PolarHBondContact NH2-OD1 3.42Å; S336-D339 VanDerWaalsContact O-CB 3.3Å; S336-D339 WeakPolarHBondContact O-CB 3.43Å; S336-D339 PolarHBondContact O-N 3.42Å; G337-D339 PolarHBondContact O-N 3Å; G337-D339 VanDerWaalsContact O-N 3.16Å
340D86.7Confident89.4Confident148 Ų14876.9 Ų76.979%0.79141%0.407SS*.G310 helixtrans-90.8-3.3-179.1-58.4-45.9000113.6A338A338-D340 PolarHBondContact O-N 3.25Å
341L91.5Very high90.2Very high76 Ų7674.7 Ų74.740%0.39840%0.401SS..  trans-89.6142.6-176.7-59.7-175.8000111.8A338 Q345A338-L341 PolarHBondContact O-N 2.99Å; L341-Q345 HydrophobicContact CB-CB 4.12Å; L341-Q345 HydrophobicContact CD2-CB 4.18Å
342N91.2Very high90.9Very high83 Ų8377.9 Ų77.944%0.44442%0.416SS..  trans-78.6168.316571.356.5000111.3L344 Q345 Y346N342-L344 VanDerWaalsContact C-N 3.26Å; N342-L344 PolarHBondContact O-N 3.48Å; N342-L344 WeakPolarHBondContact OD1-CB 3.3Å; N342-L344 PolarHBondContact OD1-N 2.91Å; N342-Q345 VanDerWaalsContact N-OE1 3.1Å; N342-Q345 VanDerWaalsContact ND2-CD 3.28Å; N342-Q345 PolarHBondContact ND2-OE1 3.39Å; N342-Q345 VanDerWaalsContact ND2-OE1 3.08Å; N342-Q345 PolarHBondContact O-N 2.92Å; N342-Q345 PolarHBondContact OD1-N 3Å; N342-Y346 WeakPolarHBondContact O-CB 3.5Å; N342-Y346 PolarHBondContact O-N 2.96Å
343L89.1Confident91.7Very high107 Ų10777 Ų7756%0.5642%0.415SS*.Hα-helixtrans-58.1-35.3-175.5-167.669.5000113.5W10 F347W10-L343 HydrophobicContact CH2-CD1 4.03Å; W10-L343 HydrophobicContact CZ2-CD1 4.18Å; L343-F347 HydrophobicContact CD1-CD2 3.96Å; L343-F347 HydrophobicContact CD1-CE2 3.6Å; L343-F347 HydrophobicContact CG-CD2 4.14Å; L343-F347 HydrophobicContact CG-CE2 4.22Å; L343-F347 WeakPolarHBondContact O-CD2 3.37Å; L343-F347 PolarHBondContact O-N 3.31Å
344L94.1Very high92.3Very high101 Ų10174.7 Ų74.753%0.52940%0.403SS..Hα-helixtrans-72.3-43.6-178.6-58.9179.4000111N342 F347 L348 V349N342-L344 VanDerWaalsContact C-N 3.26Å; N342-L344 PolarHBondContact O-N 3.48Å; N342-L344 WeakPolarHBondContact OD1-CB 3.3Å; N342-L344 PolarHBondContact OD1-N 2.91Å; L344-F347 PolarHBondContact O-N 3.49Å; L344-L348 PolarHBondContact O-N 3.31Å; L344-L348 VanDerWaalsContact O-N 3.08Å; L344-V349 HydrophobicContact CB-CB 4.32Å; L344-V349 HydrophobicContact CD2-CB 4.19Å; L344-V349 HydrophobicContact CD2-CG1 4.17Å; L344-V349 HydrophobicContact CD2-CG2 4.46Å; L344-V349 PolarHBondContact O-N 3.44Å
345Q95.5Very high92.9Very high71 Ų7179.2 Ų79.233%0.33243%0.425SS..Hα-helixtrans-63.4-43.8174.9-72.1170.6-33.400111.5L341 N342 F347 L348 D350L341-Q345 HydrophobicContact CB-CB 4.12Å; L341-Q345 HydrophobicContact CD2-CB 4.18Å; N342-Q345 VanDerWaalsContact N-OE1 3.1Å; N342-Q345 VanDerWaalsContact ND2-CD 3.28Å; N342-Q345 PolarHBondContact ND2-OE1 3.39Å; N342-Q345 VanDerWaalsContact ND2-OE1 3.08Å; N342-Q345 PolarHBondContact O-N 2.92Å; N342-Q345 PolarHBondContact OD1-N 3Å; Q345-F347 VanDerWaalsContact C-N 3.31Å; Q345-F347 PolarHBondContact O-N 3.45Å; Q345-L348 PolarHBondContact O-N 3.26Å; Q345-D350 WeakPolarHBondContact CG-OD2 3.37Å
346Y92.7Very high93.4Very high79 Ų7979.4 Ų79.431%0.3143%0.434SS..Hα-helixtrans-58.7-41.5-179.8179.3-100.8000112.5W10 H13 A338 N342 L348W10-Y346 HydrophobicContact CZ3-CE1 4.2Å; H13-Y346 AromaticContact ND1-CE2 3.91Å; A338-Y346 HydrophobicContact CB-CD2 3.64Å; A338-Y346 HydrophobicContact CB-CE2 3.68Å; N342-Y346 WeakPolarHBondContact O-CB 3.5Å; N342-Y346 PolarHBondContact O-N 2.96Å; Y346-L348 VanDerWaalsContact C-N 3.33Å
347F93Very high93.9Very high109 Ų10980.9 Ų80.948%0.47845%0.447SS..THydrogen-bonded Turntrans-90.78.5176.4-71-63.4000113.9W10 L343 L344 Q345 V349W10-F347 HydrophobicContact CH2-CE2 4.08Å; W10-F347 HydrophobicContact CH2-CZ 4.01Å; W10-F347 HydrophobicContact CZ3-CZ 4.06Å; L343-F347 HydrophobicContact CD1-CD2 3.96Å; L343-F347 HydrophobicContact CD1-CE2 3.6Å; L343-F347 HydrophobicContact CG-CD2 4.14Å; L343-F347 HydrophobicContact CG-CE2 4.22Å; L343-F347 WeakPolarHBondContact O-CD2 3.37Å; L343-F347 PolarHBondContact O-N 3.31Å; L344-F347 PolarHBondContact O-N 3.49Å; Q345-F347 VanDerWaalsContact C-N 3.31Å; Q345-F347 PolarHBondContact O-N 3.45Å; F347-V349 HydrophobicContact CB-CG2 3.88Å; F347-V349 PolarHBondContact O-N 2.94Å; F347-V349 VanDerWaalsContact O-N 3.13Å
348L96.9Very high94.4Very high98 Ų9881 Ų8151%0.51344%0.438SS..THydrogen-bonded Turntrans55.127-179-56.4173.7000113.7L344 Q345 Y346 D350 V351 I352L344-L348 PolarHBondContact O-N 3.31Å; L344-L348 VanDerWaalsContact O-N 3.08Å; Q345-L348 PolarHBondContact O-N 3.26Å; Y346-L348 VanDerWaalsContact C-N 3.33Å; L348-D350 VanDerWaalsContact C-N 3.28Å; L348-D350 PolarHBondContact O-N 3.41Å; L348-V351 HydrophobicContact CB-CB 4.31Å; L348-V351 HydrophobicContact CD2-CG2 4.14Å; L348-V351 PolarHBondContact O-N 2.89Å; L348-I352 WeakPolarHBondContact O-CB 3.27Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.45Å; L348-I352 PolarHBondContact O-N 2.87Å
349V97.5Very high94.8Very high70 Ų7086.3 Ų86.342%0.42446%0.464SS..Hα-helixtrans-64.6-38.1-178.8177.90000110.4L344 F347 A353L344-V349 HydrophobicContact CB-CB 4.32Å; L344-V349 HydrophobicContact CD2-CB 4.19Å; L344-V349 HydrophobicContact CD2-CG1 4.17Å; L344-V349 HydrophobicContact CD2-CG2 4.46Å; L344-V349 PolarHBondContact O-N 3.44Å; F347-V349 HydrophobicContact CB-CG2 3.88Å; F347-V349 PolarHBondContact O-N 2.94Å; F347-V349 VanDerWaalsContact O-N 3.13Å; V349-A353 WeakPolarHBondContact O-CB 3.38Å; V349-A353 PolarHBondContact O-N 3.44Å
350D96.9Very high95.4Very high70 Ų7089.3 Ų89.337%0.37448%0.479SS..Hα-helixtrans-61.4-45.7173.657.1-16.6000112.2Q345 L348 A353 F354Q345-D350 WeakPolarHBondContact CG-OD2 3.37Å; L348-D350 VanDerWaalsContact C-N 3.28Å; L348-D350 PolarHBondContact O-N 3.41Å; D350-A353 PolarHBondContact O-N 3.4Å; D350-F354 WeakPolarHBondContact O-CB 3.38Å; D350-F354 PolarHBondContact O-N 3.24Å
351V97.6Very high96Very high65 Ų6586.7 Ų86.739%0.39447%0.469SS..Hα-helixtrans-66.1-46.3177.3-179.80000111.3L348 A353 F354 L355L348-V351 HydrophobicContact CB-CB 4.31Å; L348-V351 HydrophobicContact CD2-CG2 4.14Å; L348-V351 PolarHBondContact O-N 2.89Å; V351-A353 VanDerWaalsContact C-N 3.34Å; V351-A353 PolarHBondContact O-N 3.32Å; V351-F354 WeakPolarHBondContact O-CB 3.42Å; V351-F354 PolarHBondContact O-N 3.49Å; V351-L355 HydrophobicContact CG1-CD1 4.18Å; V351-L355 HydrophobicContact CG1-CG 4.47Å; V351-L355 WeakPolarHBondContact O-CG 3.37Å; V351-L355 PolarHBondContact O-N 2.9Å
352I98.1Very high96.2Very high100 Ų10090.1 Ų90.151%0.51348%0.48SS..Hα-helixtrans-61.6-45.1178-68165.3000110.2L348 F354 L355 V356L348-I352 WeakPolarHBondContact O-CB 3.27Å; L348-I352 VanDerWaalsContact O-CG1 3.27Å; L348-I352 WeakPolarHBondContact O-CG1 3.45Å; L348-I352 PolarHBondContact O-N 2.87Å; I352-F354 VanDerWaalsContact C-N 3.32Å; I352-F354 PolarHBondContact O-N 3.5Å; I352-L355 PolarHBondContact O-N 3.32Å; I352-V356 HydrophobicContact CG2-CG2 4.26Å; I352-V356 WeakPolarHBondContact O-CB 3.48Å; I352-V356 VanDerWaalsContact O-CG2 3.28Å; I352-V356 WeakPolarHBondContact O-CG2 3.41Å; I352-V356 PolarHBondContact O-N 2.87Å
353A97.8Very high96.5Very high58 Ų5888.7 Ų88.748%0.47948%0.481SS..Hα-helixtrans-60.2-41.817700000111.9V349 D350 V351 A357V349-A353 WeakPolarHBondContact O-CB 3.38Å; V349-A353 PolarHBondContact O-N 3.44Å; D350-A353 PolarHBondContact O-N 3.4Å; V351-A353 VanDerWaalsContact C-N 3.34Å; V351-A353 PolarHBondContact O-N 3.32Å; A353-A357 WeakPolarHBondContact O-CB 3.46Å; A353-A357 PolarHBondContact O-N 2.89Å
354F98.2Very high96.9Very high135 Ų13586.9 Ų86.959%0.59247%0.474SS*.Hα-helixtrans-61.9-48.5175.1174.3-104.1000112.3D350 V351 I352 V356 A357 C358D350-F354 WeakPolarHBondContact O-CB 3.38Å; D350-F354 PolarHBondContact O-N 3.24Å; V351-F354 WeakPolarHBondContact O-CB 3.42Å; V351-F354 PolarHBondContact O-N 3.49Å; I352-F354 VanDerWaalsContact C-N 3.32Å; I352-F354 PolarHBondContact O-N 3.5Å; F354-V356 PolarHBondContact O-N 2.87Å; F354-A357 WeakPolarHBondContact O-CB 3.49Å; F354-A357 PolarHBondContact O-N 3.43Å; F354-C358 PolarHBondContact O-N 3.44Å; F354-C358 PolarHBondContact O-SG 3.26Å
355L98.2Very high97Very high105 Ų10586 Ų8655%0.5547%0.472SS..Hα-helixtrans-64.7-40.2179.6-68.6177.1000112.6V351 I352 A357 C358 L359V351-L355 HydrophobicContact CG1-CD1 4.18Å; V351-L355 HydrophobicContact CG1-CG 4.47Å; V351-L355 WeakPolarHBondContact O-CG 3.37Å; V351-L355 PolarHBondContact O-N 2.9Å; I352-L355 PolarHBondContact O-N 3.32Å; L355-A357 VanDerWaalsContact C-N 3.34Å; L355-C358 PolarHBondContact O-N 3.23Å; L355-L359 PolarHBondContact O-N 2.83Å
356V98.1Very high97Very high73 Ų7384.4 Ų84.444%0.44247%0.472SS..Hα-helixtrans-63.3-41.2174.6169.90000110.6I352 F354 C358 L359 I360I352-V356 HydrophobicContact CG2-CG2 4.26Å; I352-V356 WeakPolarHBondContact O-CB 3.48Å; I352-V356 VanDerWaalsContact O-CG2 3.28Å; I352-V356 WeakPolarHBondContact O-CG2 3.41Å; I352-V356 PolarHBondContact O-N 2.87Å; F354-V356 PolarHBondContact O-N 2.87Å; V356-C358 PolarHBondContact O-N 3.5Å; V356-L359 PolarHBondContact O-N 3.46Å; V356-I360 HydrophobicContact CG1-CD1 3.81Å; V356-I360 HydrophobicContact CG1-CG1 4.41Å; V356-I360 VanDerWaalsContact O-CG1 3.3Å; V356-I360 WeakPolarHBondContact O-CG1 3.45Å; V356-I360 PolarHBondContact O-N 2.87Å
357A97.9Very high97.1Very high49 Ų4987.1 Ų87.141%0.40548%0.482SS..Hα-helixtrans-61.2-4417500000111.9A353 F354 L355 L359 I360 V361A353-A357 WeakPolarHBondContact O-CB 3.46Å; A353-A357 PolarHBondContact O-N 2.89Å; F354-A357 WeakPolarHBondContact O-CB 3.49Å; F354-A357 PolarHBondContact O-N 3.43Å; L355-A357 VanDerWaalsContact C-N 3.34Å; A357-L359 VanDerWaalsContact C-N 3.35Å; A357-L359 PolarHBondContact O-N 3.32Å; A357-I360 PolarHBondContact O-N 3.48Å; A357-V361 WeakPolarHBondContact O-CG2 3.32Å; A357-V361 PolarHBondContact O-N 2.88Å
358C98.1Very high97.2Very high60 Ų6087.4 Ų87.441%0.40548%0.481SS..Hα-helixtrans-59.1-43.6174.3-68.70000112.3F354 L355 V356 V361 F362F354-C358 PolarHBondContact O-N 3.44Å; F354-C358 PolarHBondContact O-SG 3.26Å; L355-C358 PolarHBondContact O-N 3.23Å; V356-C358 PolarHBondContact O-N 3.5Å; C358-V361 PolarHBondContact O-N 3.32Å; C358-F362 WeakPolarHBondContact O-CB 3.46Å; C358-F362 PolarHBondContact O-N 3.27Å
359L97.6Very high97.1Very high120 Ų12086.1 Ų86.163%0.62848%0.479SS*.Hα-helixtrans-64.6-40.9178.3-175.166.3000112.1L355 V356 A357 F362 A363L355-L359 PolarHBondContact O-N 2.83Å; V356-L359 PolarHBondContact O-N 3.46Å; A357-L359 VanDerWaalsContact C-N 3.35Å; A357-L359 PolarHBondContact O-N 3.32Å; L359-F362 PolarHBondContact O-N 3.41Å; L359-A363 WeakPolarHBondContact O-CB 3.42Å; L359-A363 PolarHBondContact O-N 3.2Å
360I97.8Very high96.9Very high98 Ų9887.1 Ų87.150%0.50349%0.485SS..Hα-helixtrans-62.9-47.7175.9-69.2166.6000110.3V356 A357 F362 A363 V364V356-I360 HydrophobicContact CG1-CD1 3.81Å; V356-I360 HydrophobicContact CG1-CG1 4.41Å; V356-I360 VanDerWaalsContact O-CG1 3.3Å; V356-I360 WeakPolarHBondContact O-CG1 3.45Å; V356-I360 PolarHBondContact O-N 2.87Å; A357-I360 PolarHBondContact O-N 3.48Å; I360-F362 VanDerWaalsContact C-N 3.31Å; I360-F362 PolarHBondContact O-N 2.82Å; I360-A363 PolarHBondContact O-N 2.91Å; I360-V364 HydrophobicContact CG2-CG2 4.26Å; I360-V364 WeakPolarHBondContact O-CB 3.32Å; I360-V364 VanDerWaalsContact O-CG2 3.25Å; I360-V364 WeakPolarHBondContact O-CG2 3.44Å; I360-V364 PolarHBondContact O-N 2.79Å
361V97.6Very high96.6Very high94 Ų9487.1 Ų87.157%0.5748%0.482SS*.Hα-helixtrans-58.4-45.6177.5171.50000110.5A357 C358 V364 V365A357-V361 WeakPolarHBondContact O-CG2 3.32Å; A357-V361 PolarHBondContact O-N 2.88Å; C358-V361 PolarHBondContact O-N 3.32Å; V361-V364 PolarHBondContact O-N 3.45Å; V361-V365 HydrophobicContact CG1-CG2 4.5Å; V361-V365 VanDerWaalsContact O-CG2 3.3Å; V361-V365 WeakPolarHBondContact O-CG2 3.33Å; V361-V365 PolarHBondContact O-N 3.25Å
362F97.2Very high96.3Very high147 Ų14791 Ų9165%0.64549%0.49SS*.Hα-helixtrans-60.4-47.2176.3178.7-97.2000112.4C358 L359 I360 V364 V365 A366C358-F362 WeakPolarHBondContact O-CB 3.46Å; C358-F362 PolarHBondContact O-N 3.27Å; L359-F362 PolarHBondContact O-N 3.41Å; I360-F362 VanDerWaalsContact C-N 3.31Å; I360-F362 PolarHBondContact O-N 2.82Å; F362-V364 VanDerWaalsContact C-N 3.34Å; F362-V364 PolarHBondContact O-N 3.49Å; F362-V365 PolarHBondContact O-N 2.86Å; F362-A366 WeakPolarHBondContact O-CB 3.47Å; F362-A366 PolarHBondContact O-N 3.48Å
363A97.1Very high95.8Very high54 Ų5490.3 Ų90.345%0.44649%0.491SS..Hα-helixtrans-62.9-39.5178.700000112.3L359 I360 A366 Y367L359-A363 WeakPolarHBondContact O-CB 3.42Å; L359-A363 PolarHBondContact O-N 3.2Å; I360-A363 PolarHBondContact O-N 2.91Å; A363-A366 PolarHBondContact O-N 2.87Å; A363-Y367 VanDerWaalsContact O-CB 3.3Å; A363-Y367 WeakPolarHBondContact O-CB 3.5Å; A363-Y367 PolarHBondContact O-N 3.22Å
364V97Very high95.3Very high68 Ų6891.2 Ų91.241%0.41249%0.493SS..Hα-helixtrans-63.7-48.3175.4169.90000110.5I360 V361 F362 A366 Y367 Y368I360-V364 HydrophobicContact CG2-CG2 4.26Å; I360-V364 WeakPolarHBondContact O-CB 3.32Å; I360-V364 VanDerWaalsContact O-CG2 3.25Å; I360-V364 WeakPolarHBondContact O-CG2 3.44Å; I360-V364 PolarHBondContact O-N 2.79Å; V361-V364 PolarHBondContact O-N 3.45Å; F362-V364 VanDerWaalsContact C-N 3.34Å; F362-V364 PolarHBondContact O-N 3.49Å; V364-A366 PolarHBondContact O-N 2.89Å; V364-Y367 PolarHBondContact O-N 3.42Å; V364-Y368 HydrophobicContact CG1-CD2 3.68Å; V364-Y368 HydrophobicContact CG1-CE2 3.65Å; V364-Y368 WeakPolarHBondContact O-CD2 3.46Å; V364-Y368 PolarHBondContact O-N 3.38Å
365V96.3Very high94.6Very high82 Ų8291.5 Ų91.550%0.49749%0.49SS..Hα-helixtrans-59.7-48176.9171.30000110.7V361 F362 Y367 Y368 C369V361-V365 HydrophobicContact CG1-CG2 4.5Å; V361-V365 VanDerWaalsContact O-CG2 3.3Å; V361-V365 WeakPolarHBondContact O-CG2 3.33Å; V361-V365 PolarHBondContact O-N 3.25Å; F362-V365 PolarHBondContact O-N 2.86Å; V365-Y367 PolarHBondContact O-N 2.97Å; V365-Y368 PolarHBondContact O-N 3.34Å; V365-C369 WeakPolarHBondContact O-CB 3.47Å; V365-C369 PolarHBondContact O-N 3.22Å; V365-C369 PolarHBondContact O-SG 3.34Å
366A95.3Very high93.9Very high39 Ų3990.7 Ų90.732%0.32249%0.49SS..Hα-helixtrans-60-44.1177.800000112.3F362 A363 V364 Y368 C369 V370F362-A366 WeakPolarHBondContact O-CB 3.47Å; F362-A366 PolarHBondContact O-N 3.48Å; A363-A366 PolarHBondContact O-N 2.87Å; V364-A366 PolarHBondContact O-N 2.89Å; A366-Y368 PolarHBondContact O-N 3.43Å; A366-C369 PolarHBondContact O-N 3.43Å; A366-V370 WeakPolarHBondContact O-CG2 3.42Å; A366-V370 PolarHBondContact O-N 2.94Å
367Y95.8Very high93.2Very high135 Ų13591 Ų9153%0.52949%0.494SS..Hα-helixtrans-60.1-45.8175.7169.2-104.4000112A363 V364 V365 V370 K371A363-Y367 VanDerWaalsContact O-CB 3.3Å; A363-Y367 WeakPolarHBondContact O-CB 3.5Å; A363-Y367 PolarHBondContact O-N 3.22Å; V364-Y367 PolarHBondContact O-N 3.42Å; V365-Y367 PolarHBondContact O-N 2.97Å; Y367-V370 PolarHBondContact O-N 3.36Å; Y367-K371 HydrophobicContact CE1-CD 4.19Å; Y367-K371 VanDerWaalsContact O-CB 3.27Å; Y367-K371 WeakPolarHBondContact O-CB 3.4Å; Y367-K371 PolarHBondContact O-N 3.37Å
368Y94.9Very high92.4Very high116 Ų11692.3 Ų92.346%0.45550%0.5SS..Hα-helixtrans-65.2-43.8176.3-81.9-71.7000111.3V364 V365 A366 V370 K371 Y372V364-Y368 HydrophobicContact CG1-CD2 3.68Å; V364-Y368 HydrophobicContact CG1-CE2 3.65Å; V364-Y368 WeakPolarHBondContact O-CD2 3.46Å; V364-Y368 PolarHBondContact O-N 3.38Å; V365-Y368 PolarHBondContact O-N 3.34Å; A366-Y368 PolarHBondContact O-N 3.43Å; Y368-V370 PolarHBondContact O-N 3.01Å; Y368-K371 PolarHBondContact O-N 3.48Å; Y368-Y372 HydrophobicContact CD1-CE2 4.15Å; Y368-Y372 WeakPolarHBondContact O-CB 3.34Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.3Å; Y368-Y372 PolarHBondContact O-N 3.1Å
369C93.5Very high91.5Very high71 Ų7195.7 Ų95.748%0.4851%0.508SS..Hα-helixtrans-54.8-50.5174.3-72.20000111.5V365 A366 K371 Y372 T373V365-C369 WeakPolarHBondContact O-CB 3.47Å; V365-C369 PolarHBondContact O-N 3.22Å; V365-C369 PolarHBondContact O-SG 3.34Å; A366-C369 PolarHBondContact O-N 3.43Å; C369-K371 PolarHBondContact O-N 3.02Å; C369-Y372 PolarHBondContact O-N 2.94Å; C369-T373 WeakPolarHBondContact O-CB 3.34Å; C369-T373 PolarHBondContact O-N 3.35Å; C369-T373 PolarHBondContact O-OG1 3.28Å
370V93.1Very high90.6Very high91 Ų9193.2 Ų93.255%0.55250%0.5SS*.Hα-helixtrans-61.7-45.6177.11730000111.3A366 Y367 Y368 Y372 T373 C374A366-V370 WeakPolarHBondContact O-CG2 3.42Å; A366-V370 PolarHBondContact O-N 2.94Å; Y367-V370 PolarHBondContact O-N 3.36Å; Y368-V370 PolarHBondContact O-N 3.01Å; V370-Y372 VanDerWaalsContact C-N 3.33Å; V370-Y372 PolarHBondContact O-N 3.26Å; V370-T373 PolarHBondContact O-N 2.96Å; V370-C374 WeakPolarHBondContact O-CB 3.09Å; V370-C374 PolarHBondContact O-N 3.4Å; V370-C374 PolarHBondContact O-SG 3.3Å; V370-C374 VanDerWaalsContact O-SG 3.32Å
371K91.8Very high89.7Confident70 Ų7090.2 Ų90.230%0.30449%0.494SS..Hα-helixtrans-61.6-40.4178.5-177.1174.6-178.1170.50112.2Y367 Y368 C369 R375Y367-K371 HydrophobicContact CE1-CD 4.19Å; Y367-K371 VanDerWaalsContact O-CB 3.27Å; Y367-K371 WeakPolarHBondContact O-CB 3.4Å; Y367-K371 PolarHBondContact O-N 3.37Å; Y368-K371 PolarHBondContact O-N 3.48Å; C369-K371 PolarHBondContact O-N 3.02Å; K371-R375 VanDerWaalsContact O-CB 3.32Å; K371-R375 WeakPolarHBondContact O-CB 3.39Å; K371-R375 VanDerWaalsContact O-CG 3.28Å; K371-R375 WeakPolarHBondContact O-CG 3.28Å; K371-R375 PolarHBondContact O-N 3.2Å
372Y90.6Very high88.7Confident145 Ų14588.1 Ų88.157%0.56948%0.483SS*.Hα-helixtrans-65.7-47.6174.5-84.8-71.5000110.7Y368 C369 V370 C374 R375 V376Y368-Y372 HydrophobicContact CD1-CE2 4.15Å; Y368-Y372 WeakPolarHBondContact O-CB 3.34Å; Y368-Y372 WeakPolarHBondContact O-CD2 3.3Å; Y368-Y372 PolarHBondContact O-N 3.1Å; C369-Y372 PolarHBondContact O-N 2.94Å; V370-Y372 VanDerWaalsContact C-N 3.33Å; V370-Y372 PolarHBondContact O-N 3.26Å; Y372-C374 PolarHBondContact O-N 3.49Å; Y372-R375 PolarHBondContact O-N 3.09Å; Y372-V376 VanDerWaalsContact O-CG2 3.28Å; Y372-V376 WeakPolarHBondContact O-CG2 3.28Å; Y372-V376 PolarHBondContact O-N 2.83Å
373T88.9Confident87.7Confident87 Ų8785.3 Ų85.353%0.53447%0.474SS..Hα-helixtrans-60.5-45.2176.7-50.90000111.7C369 V370 R375 V376 C377C369-T373 WeakPolarHBondContact O-CB 3.34Å; C369-T373 PolarHBondContact O-N 3.35Å; C369-T373 PolarHBondContact O-OG1 3.28Å; V370-T373 PolarHBondContact O-N 2.96Å; T373-R375 PolarHBondContact O-N 2.94Å; T373-V376 PolarHBondContact O-N 3.1Å; T373-C377 WeakPolarHBondContact O-CB 3.2Å; T373-C377 PolarHBondContact O-N 3.44Å; T373-C377 PolarHBondContact O-SG 2.81Å
374C87.1Confident86.8Confident76 Ų7689.4 Ų89.451%0.51448%0.482SS..Hα-helixtrans-64.1-38175.8-700000112.9V370 Y372 C377 S378V370-C374 WeakPolarHBondContact O-CB 3.09Å; V370-C374 PolarHBondContact O-N 3.4Å; V370-C374 PolarHBondContact O-SG 3.3Å; V370-C374 VanDerWaalsContact O-SG 3.32Å; Y372-C374 PolarHBondContact O-N 3.49Å; C374-C377 PolarHBondContact O-N 3.05Å; C374-S378 WeakPolarHBondContact O-CB 3.32Å; C374-S378 PolarHBondContact O-N 3.1Å; C374-S378 PolarHBondContact O-OG 3.45Å
375R83.7Confident85.7Confident142 Ų14290.1 Ų90.154%0.53649%0.489SS..Hα-helixtrans-65.8-40.2173.6-81.8177.7170.9179.1-5.8112.1K371 Y372 T373 S378 F379K371-R375 VanDerWaalsContact O-CB 3.32Å; K371-R375 WeakPolarHBondContact O-CB 3.39Å; K371-R375 VanDerWaalsContact O-CG 3.28Å; K371-R375 WeakPolarHBondContact O-CG 3.28Å; K371-R375 PolarHBondContact O-N 3.2Å; Y372-R375 PolarHBondContact O-N 3.09Å; T373-R375 PolarHBondContact O-N 2.94Å; R375-S378 PolarHBondContact O-OG 2.87Å; R375-S378 VanDerWaalsContact O-OG 3.09Å; R375-F379 VanDerWaalsContact O-CB 3.24Å; R375-F379 WeakPolarHBondContact O-CB 3.24Å; R375-F379 PolarHBondContact O-N 3.23Å
376V82.7Confident84.6Confident88 Ų8894.8 Ų94.853%0.53350%0.498SS..Hα-helixtrans-65.1-46.7175171.90000109.9Y372 T373 S378 F379 C380Y372-V376 VanDerWaalsContact O-CG2 3.28Å; Y372-V376 WeakPolarHBondContact O-CG2 3.28Å; Y372-V376 PolarHBondContact O-N 2.83Å; T373-V376 PolarHBondContact O-N 3.1Å; V376-S378 PolarHBondContact O-N 3.31Å; V376-F379 PolarHBondContact O-N 3.42Å; V376-C380 WeakPolarHBondContact O-CB 3.48Å; V376-C380 PolarHBondContact O-N 3.49Å; V376-C380 PolarHBondContact O-SG 3.16Å
377C83.7Confident83.7Confident79 Ų7998.3 Ų98.353%0.53451%0.51SS..Hα-helixtrans-62.1-41.6176.3-690000113T373 C374 G381T373-C377 WeakPolarHBondContact O-CB 3.2Å; T373-C377 PolarHBondContact O-N 3.44Å; T373-C377 PolarHBondContact O-SG 2.81Å; C374-C377 PolarHBondContact O-N 3.05Å; C377-G381 PolarHBondContact O-N 2.72Å
378S80Confident82.7Confident76 Ų7695 Ų9553%0.53150%0.504SS..Hα-helixtrans-70.2-37.3177.868.30000112.3C374 R375 V376 G381 S382C374-S378 WeakPolarHBondContact O-CB 3.32Å; C374-S378 PolarHBondContact O-N 3.1Å; C374-S378 PolarHBondContact O-OG 3.45Å; R375-S378 PolarHBondContact O-OG 2.87Å; R375-S378 VanDerWaalsContact O-OG 3.09Å; V376-S378 PolarHBondContact O-N 3.31Å; S378-G381 PolarHBondContact O-N 3.08Å; S378-S382 WeakPolarHBondContact O-CB 3.33Å; S378-S382 PolarHBondContact O-N 2.96Å; S378-S382 PolarHBondContact O-OG 2.94Å
379F81.1Confident81.5Confident131 Ų13196.3 Ų96.358%0.57551%0.514SS*.Hα-helixtrans-61.3-51.2171.6-178-98.1000111R375 V376 G381 S382 L383R375-F379 VanDerWaalsContact O-CB 3.24Å; R375-F379 WeakPolarHBondContact O-CB 3.24Å; R375-F379 PolarHBondContact O-N 3.23Å; V376-F379 PolarHBondContact O-N 3.42Å; F379-G381 PolarHBondContact O-N 3.01Å; F379-S382 PolarHBondContact O-N 3.31Å; F379-S382 PolarHBondContact O-OG 3.37Å; F379-L383 WeakPolarHBondContact O-CB 3.34Å; F379-L383 PolarHBondContact O-N 3.28Å
380C78.3Confident80.5Confident69 Ų6997 Ų9747%0.46652%0.516SS..Hα-helixtrans-59.2-42175.2-71.80000112.6V376 L383 F384V376-C380 WeakPolarHBondContact O-CB 3.48Å; V376-C380 PolarHBondContact O-N 3.49Å; V376-C380 PolarHBondContact O-SG 3.16Å; C380-L383 PolarHBondContact O-N 2.96Å; C380-F384 WeakPolarHBondContact O-CB 3.49Å; C380-F384 PolarHBondContact O-N 3.25Å
381G78.4Confident79.2Confident35 Ų3594.5 Ų94.536%0.36151%0.509SS..Hα-helixtrans-63.5-41.2175.400000112.8C377 S378 F379 F384 C385C377-G381 PolarHBondContact O-N 2.72Å; S378-G381 PolarHBondContact O-N 3.08Å; F379-G381 PolarHBondContact O-N 3.01Å; G381-F384 PolarHBondContact O-N 2.84Å; G381-C385 WeakPolarHBondContact O-CB 3.37Å; G381-C385 PolarHBondContact O-N 2.99Å
382S75.5Confident78Confident49 Ų4998 Ų9834%0.34353%0.525SS..Hα-helixtrans-66.1-37.9175.678.90000112.4S378 F379 R386S378-S382 WeakPolarHBondContact O-CB 3.33Å; S378-S382 PolarHBondContact O-N 2.96Å; S378-S382 PolarHBondContact O-OG 2.94Å; F379-S382 PolarHBondContact O-N 3.31Å; F379-S382 PolarHBondContact O-OG 3.37Å; S382-R386 WeakPolarHBondContact O-CG 3.49Å; S382-R386 PolarHBondContact O-N 3.22Å
383L76.9Confident76.5Confident88 Ų8894 Ų9446%0.46152%0.517SS..Hα-helixtrans-64.8-45.2175.2-16575.6000110.5F379 C380 R386 L387F379-L383 WeakPolarHBondContact O-CB 3.34Å; F379-L383 PolarHBondContact O-N 3.28Å; C380-L383 PolarHBondContact O-N 2.96Å; L383-R386 PolarHBondContact O-N 2.94Å; L383-L387 WeakPolarHBondContact O-CG 3.28Å; L383-L387 PolarHBondContact O-N 3.32Å
384F77.9Confident75.1Confident141 Ų14192.5 Ų92.562%0.61851%0.514SS*.Hα-helixtrans-63.1-46176.5-170.9-96.9000112.2C380 G381 R386 L387 V388C380-F384 WeakPolarHBondContact O-CB 3.49Å; C380-F384 PolarHBondContact O-N 3.25Å; G381-F384 PolarHBondContact O-N 2.84Å; F384-R386 VanDerWaalsContact C-N 3.35Å; F384-R386 PolarHBondContact O-N 2.95Å; F384-L387 PolarHBondContact O-N 2.79Å; F384-V388 HydrophobicContact CD1-CG2 4.15Å; F384-V388 HydrophobicContact CE1-CG2 3.83Å; F384-V388 HydrophobicContact CZ-CG2 4.16Å; F384-V388 WeakPolarHBondContact O-CG2 3.32Å; F384-V388 PolarHBondContact O-N 2.86Å
385C74.5Confident74Confident83 Ų8394.7 Ų94.756%0.56152%0.52SS*.Hα-helixtrans-59.9-41.5174.6-83.20000112.6G381 V388 H389G381-C385 WeakPolarHBondContact O-CB 3.37Å; G381-C385 PolarHBondContact O-N 2.99Å; C385-V388 PolarHBondContact O-N 2.93Å; C385-H389 WeakPolarHBondContact O-CB 3.24Å; C385-H389 PolarHBondContact O-N 2.75Å
386R73.6Confident73.1Confident180 Ų18095.2 Ų95.268%0.67953%0.526SS*.Hα-helixtrans-61-44.5175-76.3-180-166.5-161.24.3111.6S382 L383 F384 H389 T390S382-R386 WeakPolarHBondContact O-CG 3.49Å; S382-R386 PolarHBondContact O-N 3.22Å; L383-R386 PolarHBondContact O-N 2.94Å; F384-R386 VanDerWaalsContact C-N 3.35Å; F384-R386 PolarHBondContact O-N 2.95Å; R386-H389 PolarHBondContact O-N 3.5Å; R386-T390 WeakPolarHBondContact O-CG2 3.26Å; R386-T390 PolarHBondContact O-N 3.02Å; R386-T390 PolarHBondContact O-OG1 2.99Å
387L74.7Confident72Confident112 Ų112100.7 Ų100.759%0.58654%0.537SS*.Hα-helixtrans-62.7-39.4177.4-72.2166.5000112.5L383 F384 T390 G391L383-L387 WeakPolarHBondContact O-CG 3.28Å; L383-L387 PolarHBondContact O-N 3.32Å; F384-L387 PolarHBondContact O-N 2.79Å; L387-T390 PolarHBondContact O-OG1 2.87Å; L387-G391 PolarHBondContact O-N 3.37Å; L387-G391 VanDerWaalsContact O-N 3.1Å
388V75.7Confident70.8Confident65 Ų65105.6 Ų105.639%0.39455%0.55SS..Hα-helixtrans-70.6-39.2176.31740000111.7F384 C385 G391 K392F384-V388 HydrophobicContact CD1-CG2 4.15Å; F384-V388 HydrophobicContact CE1-CG2 3.83Å; F384-V388 HydrophobicContact CZ-CG2 4.16Å; F384-V388 WeakPolarHBondContact O-CG2 3.32Å; F384-V388 PolarHBondContact O-N 2.86Å; C385-V388 PolarHBondContact O-N 2.93Å; V388-G391 PolarHBondContact O-N 3.09Å; V388-K392 PolarHBondContact O-N 2.93Å
389H70.1Confident70.3Confident144 Ų144108 Ų10867%0.66756%0.56SS**Hα-helixtrans-69-40.5179.7-119.9-48.1000112.8C385 R386 G391 K392 S393C385-H389 WeakPolarHBondContact O-CB 3.24Å; C385-H389 PolarHBondContact O-N 2.75Å; R386-H389 PolarHBondContact O-N 3.5Å; H389-G391 VanDerWaalsContact C-N 3.31Å; H389-K392 PolarHBondContact O-N 3.01Å; H389-S393 PolarHBondContact O-N 3.08Å; H389-S393 PolarHBondContact O-OG 3.29Å
390T71.3Confident69Low85 Ų85111.5 Ų111.552%0.52158%0.579SS.*Hα-helixtrans-65.7-35.7172.350.30000111.6R386 L387 S393 A394R386-T390 WeakPolarHBondContact O-CG2 3.26Å; R386-T390 PolarHBondContact O-N 3.02Å; R386-T390 PolarHBondContact O-OG1 2.99Å; L387-T390 PolarHBondContact O-OG1 2.87Å; T390-S393 WeakPolarHBondContact CA-OG 3.17Å; T390-S393 PolarHBondContact O-OG 3.34Å; T390-S393 VanDerWaalsContact O-OG 3.08Å; T390-A394 VanDerWaalsContact O-CB 3.28Å; T390-A394 WeakPolarHBondContact O-CB 3.25Å; T390-A394 PolarHBondContact O-N 3.14Å
391G67.2Low68.5Low39 Ų39113.7 Ų113.740%0.40258%0.584SS.*Hα-helixtrans-61.3-46.5171.200000113.1L387 V388 H389 A394 L395L387-G391 PolarHBondContact O-N 3.37Å; L387-G391 VanDerWaalsContact O-N 3.1Å; V388-G391 PolarHBondContact O-N 3.09Å; H389-G391 VanDerWaalsContact C-N 3.31Å; G391-A394 PolarHBondContact O-N 2.99Å; G391-L395 PolarHBondContact O-N 3.4Å
392K66.6Low68Low145 Ų145117.8 Ų117.863%0.6360%0.596SS**Hα-helixtrans-68.1-38.7177.7-79-173.5177.7-179.10113.4V388 H389 L395 K396V388-K392 PolarHBondContact O-N 2.93Å; H389-K392 PolarHBondContact O-N 3.01Å; K392-L395 PolarHBondContact O-N 3.17Å; K392-K396 PolarHBondContact O-N 3.03Å
393S59.3Low67.6Low60 Ų60121.6 Ų121.642%0.4261%0.61SS.*Hα-helixtrans-68.2-36.1176.664.40000112H389 T390 L395 K396 R397H389-S393 PolarHBondContact O-N 3.08Å; H389-S393 PolarHBondContact O-OG 3.29Å; T390-S393 WeakPolarHBondContact CA-OG 3.17Å; T390-S393 PolarHBondContact O-OG 3.34Å; T390-S393 VanDerWaalsContact O-OG 3.08Å; S393-L395 VanDerWaalsContact C-N 3.33Å; S393-K396 PolarHBondContact O-N 3.17Å; S393-R397 PolarHBondContact O-N 3.27Å; S393-R397 VanDerWaalsContact O-N 3.14Å
394A59.8Low67Low56 Ų56123.6 Ų123.646%0.46362%0.619SS.*Hα-helixtrans-64.9-36.1170.900000112.3T390 G391 K398T390-A394 VanDerWaalsContact O-CB 3.28Å; T390-A394 WeakPolarHBondContact O-CB 3.25Å; T390-A394 PolarHBondContact O-N 3.14Å; G391-A394 PolarHBondContact O-N 2.99Å; A394-K398 PolarHBondContact O-N 2.88Å
395L64.1Low66.3Low122 Ų122122.5 Ų122.564%0.63962%0.619SS**Hα-helixtrans-68.6-41174.7-143.689000111.9G391 K392 S393 R397 K398 V399G391-L395 PolarHBondContact O-N 3.4Å; K392-L395 PolarHBondContact O-N 3.17Å; S393-L395 VanDerWaalsContact C-N 3.33Å; L395-R397 PolarHBondContact O-N 2.77Å; L395-K398 PolarHBondContact O-N 3.45Å; L395-K398 VanDerWaalsContact O-N 3.1Å; L395-V399 WeakPolarHBondContact O-CG2 3.38Å; L395-V399 PolarHBondContact O-N 3.04Å
396K63.2Low65.8Low152 Ų152125.1 Ų125.166%0.66162%0.623SS**Hα-helixtrans-63.4-39.9178.3-135-175.2-178-166.50112.3K392 S393 K398 V399 E400K392-K396 PolarHBondContact O-N 3.03Å; S393-K396 PolarHBondContact O-N 3.17Å; K396-K398 PolarHBondContact O-N 3.42Å; K396-V399 PolarHBondContact O-N 3.37Å; K396-E400 PolarHBondContact O-N 2.65Å
397R59.5Low65.2Low203 Ų203121.2 Ų121.277%0.76662%0.619SS**THydrogen-bonded Turntrans-67.9-12.4172.9-74.8-170.4-162179.74.1115.1S393 L395S393-R397 PolarHBondContact O-N 3.27Å; S393-R397 VanDerWaalsContact O-N 3.14Å; L395-R397 PolarHBondContact O-N 2.77Å
398K59.9Low64.5Low183 Ų183121.9 Ų121.980%0.79662%0.621SS**THydrogen-bonded Turntrans-93.4-11.1174.4-83.4-172172.5-174.90112.9A394 L395 K396A394-K398 PolarHBondContact O-N 2.88Å; L395-K398 PolarHBondContact O-N 3.45Å; L395-K398 VanDerWaalsContact O-N 3.1Å; K396-K398 PolarHBondContact O-N 3.42Å
399V68.3Low63.6Low125 Ų125126.7 Ų126.776%0.75864%0.64SS**THydrogen-bonded Turntrans-104.2-25.8-177.5178.20000111.8L395 K396L395-V399 WeakPolarHBondContact O-CG2 3.38Å; L395-V399 PolarHBondContact O-N 3.04Å; K396-V399 PolarHBondContact O-N 3.37Å
400E53.7Low63Low206 Ų206125.1 Ų125.196%0.96364%0.638SS**  trans-76.40157.7-71.3172.5-175.200110.3K396K396-E400 PolarHBondContact O-N 2.65Å

Retrieved 400 of 400 residues in 447.2 ms (Link to these results)

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