A0A075BK61_DROME Loading...

Stonewall

AlphaFold DB , UniProt , Accession A0A075BK61, Species DROME (Drosophila melanogaster, Fruit fly), Gene stwl, Length 976 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
1N86.1Confident89.7Confident142 Ų14255.5 Ų55.576%0.75929%0.291SS*.  0-91.10-65.73.8000113.1T4 R5N1-T4 PolarHBondContact N-OG1 3.14Å; N1-T4 VanDerWaalsContact O-CB 3.26Å; N1-T4 WeakPolarHBondContact O-CB 3.09Å; N1-T4 PolarHBondContact O-N 3.48Å; N1-R5 PolarHBondContact O-N 2.59Å
2D88.4Confident89.6Confident89 Ų8957.8 Ų57.848%0.47630%0.303SS..Hα-helixtrans-70.3-37.4-174.1-68.4-55.4000114T4 R5 W6D2-T4 VanDerWaalsContact C-N 3.34Å; D2-T4 PolarHBondContact O-N 3.44Å; D2-R5 PolarHBondContact O-N 2.96Å; D2-R5 IonicContact OD1-CZ 3.16Å; D2-R5 IonicContact OD1-NE 3.25Å; D2-R5 PolarHBondContact OD1-NE 3.22Å; D2-R5 IonicContact OD1-NH2 2.71Å; D2-R5 PolarHBondContact OD1-NH2 3.26Å; D2-R5 IonicContact OD2-NH2 3.3Å; D2-R5 PolarHBondContact OD2-NH2 3.34Å; D2-W6 PolarHBondContact O-N 3.36Å
3Y92.3Very high89.5Confident4 Ų455.6 Ų55.62%0.01629%0.289CS..Hα-helixtrans-54.6-48.8166.7-176-110.9000111.6R5 W6 C7 Y23 L29 L32 D33 L36Y3-R5 PolarHBondContact O-N 2.59Å; Y3-W6 AromaticContact CD2-CE3 3.97Å; Y3-W6 HydrophobicContact CD2-CE3 3.97Å; Y3-W6 HydrophobicContact CD2-CZ3 4.18Å; Y3-W6 AromaticContact CE2-CE3 3.77Å; Y3-W6 HydrophobicContact CE2-CE3 3.77Å; Y3-W6 AromaticContact CE2-CZ3 3.53Å; Y3-W6 HydrophobicContact CE2-CZ3 3.53Å; Y3-W6 CarbonylContact O-C 3.59Å; Y3-W6 WeakPolarHBondContact O-CA 3.4Å; Y3-W6 WeakPolarHBondContact O-CB 3.48Å; Y3-W6 PolarHBondContact O-N 3.43Å; Y3-W6 VanDerWaalsContact O-N 3.09Å; Y3-C7 VanDerWaalsContact CZ-SG 3.52Å; Y3-C7 PolarHBondContact O-N 3.49Å; Y3-C7 PolarHBondContact O-SG 3.08Å; Y3-C7 VanDerWaalsContact O-SG 3.4Å; Y3-Y23 AromaticContact CD2-CD1 3.94Å; Y3-Y23 HydrophobicContact CD2-CD1 3.94Å; Y3-Y23 AromaticContact CD2-CE1 3.89Å; Y3-Y23 HydrophobicContact CD2-CE1 3.89Å; Y3-L29 HydrophobicContact CD1-CB 4.04Å; Y3-L29 HydrophobicContact CD2-CB 3.85Å; Y3-L29 HydrophobicContact CD2-CD1 4.39Å; Y3-L29 HydrophobicContact CE1-CB 4.39Å; Y3-L29 WeakPolarHBondContact CE1-O 3.46Å; Y3-L29 HydrophobicContact CE2-CB 4.2Å; Y3-L29 HydrophobicContact CG-CB 3.79Å; Y3-L29 HydrophobicContact CG-CD1 4.16Å; Y3-L32 HydrophobicContact CD1-CB 4.27Å; Y3-L32 HydrophobicContact CD1-CD1 4.34Å; Y3-L32 HydrophobicContact CE1-CB 4.32Å; Y3-D33 WeakPolarHBondContact CE1-OD1 3.38Å; Y3-D33 PolarHBondContact OH-OD1 2.96Å; Y3-D33 PolarHBondContact OH-OD2 2.87Å; Y3-L36 HydrophobicContact CD1-CD1 3.99Å; Y3-L36 HydrophobicContact CE1-CD1 4.24Å
4T89.5Confident89.2Confident32 Ų3259.4 Ų59.420%0.19630%0.298CS..Hα-helixtrans-57.7-43.5175.3-36.50000112.9N1 D2 W6 C7 N8 L36N1-T4 PolarHBondContact N-OG1 3.14Å; N1-T4 VanDerWaalsContact O-CB 3.26Å; N1-T4 WeakPolarHBondContact O-CB 3.09Å; N1-T4 PolarHBondContact O-N 3.48Å; D2-T4 VanDerWaalsContact C-N 3.34Å; D2-T4 PolarHBondContact O-N 3.44Å; T4-W6 VanDerWaalsContact C-N 3.34Å; T4-C7 PolarHBondContact O-N 3.12Å; T4-N8 WeakPolarHBondContact O-CB 3.29Å; T4-N8 PolarHBondContact O-N 2.82Å; T4-N8 PolarHBondContact O-ND2 2.82Å; T4-L36 HydrophobicContact CG2-CD1 4.18Å; T4-L36 HydrophobicContact CG2-CD2 3.75Å
5R91.7Very high89.1Confident151 Ų15166 Ų6657%0.5732%0.317SS*.Hα-helixtrans-62.3-41.5174.6-76.1-174.1-89.9-1047.9111.3N1 D2 Y3 A9N1-R5 PolarHBondContact O-N 2.59Å; D2-R5 PolarHBondContact O-N 2.96Å; D2-R5 IonicContact OD1-CZ 3.16Å; D2-R5 IonicContact OD1-NE 3.25Å; D2-R5 PolarHBondContact OD1-NE 3.22Å; D2-R5 IonicContact OD1-NH2 2.71Å; D2-R5 PolarHBondContact OD1-NH2 3.26Å; D2-R5 IonicContact OD2-NH2 3.3Å; D2-R5 PolarHBondContact OD2-NH2 3.34Å; Y3-R5 PolarHBondContact O-N 2.59Å; R5-A9 WeakPolarHBondContact O-CB 3.3Å; R5-A9 PolarHBondContact O-N 2.85Å
6W93.3Very high89.1Confident26 Ų2669.2 Ų69.210%0.09834%0.337CS..Hα-helixtrans-66.8-44.2175.9171.782.2000112.6D2 Y3 T4 A9 D10 R20 L21 Y23 A26D2-W6 PolarHBondContact O-N 3.36Å; Y3-W6 AromaticContact CD2-CE3 3.97Å; Y3-W6 HydrophobicContact CD2-CE3 3.97Å; Y3-W6 HydrophobicContact CD2-CZ3 4.18Å; Y3-W6 AromaticContact CE2-CE3 3.77Å; Y3-W6 HydrophobicContact CE2-CE3 3.77Å; Y3-W6 AromaticContact CE2-CZ3 3.53Å; Y3-W6 HydrophobicContact CE2-CZ3 3.53Å; Y3-W6 CarbonylContact O-C 3.59Å; Y3-W6 WeakPolarHBondContact O-CA 3.4Å; Y3-W6 WeakPolarHBondContact O-CB 3.48Å; Y3-W6 PolarHBondContact O-N 3.43Å; Y3-W6 VanDerWaalsContact O-N 3.09Å; T4-W6 VanDerWaalsContact C-N 3.34Å; W6-A9 CarbonylContact O-C 3.56Å; W6-A9 PolarHBondContact O-N 3.42Å; W6-D10 WeakPolarHBondContact O-CB 3.22Å; W6-D10 PolarHBondContact O-N 3.19Å; W6-R20 HydrophobicContact CZ2-CG 4.37Å; W6-L21 VanDerWaalsContact CE2-O 3.27Å; W6-L21 WeakPolarHBondContact CZ2-O 3.47Å; W6-L21 PolarHBondContact NE1-O 3.46Å; W6-Y23 HydrophobicContact CB-CD2 4.04Å; W6-Y23 HydrophobicContact CB-CG 4.4Å; W6-Y23 HydrophobicContact CD2-CG 4.07Å; W6-Y23 HydrophobicContact CE3-CG 4.4Å; W6-Y23 HydrophobicContact CG-CD2 4.04Å; W6-Y23 HydrophobicContact CG-CG 4.06Å; W6-A26 HydrophobicContact CH2-CB 3.69Å; W6-A26 HydrophobicContact CZ2-CB 4.45Å; W6-A26 HydrophobicContact CZ3-CB 4.06Å
7C89.9Confident89Confident11 Ų1169.4 Ų69.47%0.07436%0.361CS..Hα-helixtrans-61.1-45.3176.7-68.50000111.9Y3 T4 A9 D10 A11 I38Y3-C7 VanDerWaalsContact CZ-SG 3.52Å; Y3-C7 PolarHBondContact O-N 3.49Å; Y3-C7 PolarHBondContact O-SG 3.08Å; Y3-C7 VanDerWaalsContact O-SG 3.4Å; T4-C7 PolarHBondContact O-N 3.12Å; C7-A9 VanDerWaalsContact C-N 3.32Å; C7-A9 PolarHBondContact O-N 3.09Å; C7-D10 WeakPolarHBondContact O-CA 3.42Å; C7-D10 WeakPolarHBondContact O-CB 3.29Å; C7-D10 PolarHBondContact O-N 2.65Å; C7-A11 PolarHBondContact O-N 3.22Å; C7-I38 HydrophobicContact CB-CD1 3.6Å
8N90.1Very high89Confident92 Ų9272.1 Ų72.149%0.49237%0.371SS..Hα-helixtrans-63-38.1175.2-74.9-22.4000112.2T4 D10 N12T4-N8 WeakPolarHBondContact O-CB 3.29Å; T4-N8 PolarHBondContact O-N 2.82Å; T4-N8 PolarHBondContact O-ND2 2.82Å; N8-D10 VanDerWaalsContact C-N 3.32Å; N8-N12 PolarHBondContact O-N 3.2Å; N8-N12 PolarHBondContact O-ND2 3.47Å
9A89.9Confident88.8Confident39 Ų3980.4 Ų80.432%0.32240%0.398SS..Hα-helixtrans-68.5-29.8171.600000112.5R5 W6 C7 R13R5-A9 WeakPolarHBondContact O-CB 3.3Å; R5-A9 PolarHBondContact O-N 2.85Å; W6-A9 CarbonylContact O-C 3.56Å; W6-A9 PolarHBondContact O-N 3.42Å; C7-A9 VanDerWaalsContact C-N 3.32Å; C7-A9 PolarHBondContact O-N 3.09Å; A9-R13 WeakPolarHBondContact O-CG 3.48Å; A9-R13 PolarHBondContact O-N 3.43Å; A9-R13 PolarHBondContact O-NH1 3.28Å
10D88.6Confident88.5Confident3 Ų381.8 Ų81.82%0.01640%0.398CS..Hα-helixtrans-76-43.7178.2-151.559.3000112.6W6 C7 N8 N12 R13 R14 R20W6-D10 WeakPolarHBondContact O-CB 3.22Å; W6-D10 PolarHBondContact O-N 3.19Å; C7-D10 WeakPolarHBondContact O-CA 3.42Å; C7-D10 WeakPolarHBondContact O-CB 3.29Å; C7-D10 PolarHBondContact O-N 2.65Å; N8-D10 VanDerWaalsContact C-N 3.32Å; D10-N12 VanDerWaalsContact C-N 3.26Å; D10-N12 PolarHBondContact O-N 2.66Å; D10-R13 VanDerWaalsContact CA-NH2 3.3Å; D10-R13 VanDerWaalsContact CB-NH2 3.29Å; D10-R13 CarbonylContact O-C 3.5Å; D10-R13 WeakPolarHBondContact O-CA 3.15Å; D10-R13 WeakPolarHBondContact O-CB 3.46Å; D10-R13 PolarHBondContact O-N 2.87Å; D10-R13 IonicContact OD1-CZ 3.03Å; D10-R13 VanDerWaalsContact OD1-CZ 3.3Å; D10-R13 IonicContact OD1-NE 2.78Å; D10-R13 PolarHBondContact OD1-NE 2.91Å; D10-R13 IonicContact OD1-NH2 3.95Å; D10-R13 PolarHBondContact OD1-NH2 2.98Å; D10-R14 WeakPolarHBondContact O-CG 3.22Å; D10-R14 PolarHBondContact O-N 2.69Å; D10-R14 IonicContact OD2-CZ 2.66Å; D10-R14 IonicContact OD2-NE 2.7Å; D10-R14 PolarHBondContact OD2-NE 3.03Å; D10-R14 IonicContact OD2-NH2 3.71Å; D10-R14 PolarHBondContact OD2-NH2 3.44Å; D10-R20 WeakPolarHBondContact OD1-CA 3.15Å; D10-R20 WeakPolarHBondContact OD1-CG 3.33Å; D10-R20 WeakPolarHBondContact OD2-CG 3.23Å; D10-R20 IonicContact OD2-NE 2.65Å; D10-R20 PolarHBondContact OD2-NE 3.42Å
11A87.3Confident88.4Confident22 Ų2282.9 Ų82.918%0.18241%0.405CS..Hα-helixtrans-56.2-43.4171.700000110.8C7 R14 R15C7-A11 PolarHBondContact O-N 3.22Å; A11-R14 PolarHBondContact O-N 3.15Å; A11-R15 WeakPolarHBondContact O-CD 3.34Å; A11-R15 VanDerWaalsContact O-CG 3.24Å; A11-R15 WeakPolarHBondContact O-CG 3.47Å; A11-R15 PolarHBondContact O-N 3.09Å
12N87.9Confident88.3Confident82 Ų8281 Ų8144%0.43941%0.41SS..Hα-helixtrans-68-34.3174.2-72-27000113.2N8 D10 R15 N16N8-N12 PolarHBondContact O-N 3.2Å; N8-N12 PolarHBondContact O-ND2 3.47Å; D10-N12 VanDerWaalsContact C-N 3.26Å; D10-N12 PolarHBondContact O-N 2.66Å; N12-R15 PolarHBondContact OD1-NH1 3.33Å; N12-R15 VanDerWaalsContact OD1-NH1 3.16Å; N12-N16 WeakPolarHBondContact O-CB 3.44Å; N12-N16 PolarHBondContact O-N 3.11Å; N12-N16 VanDerWaalsContact O-N 3.14Å; N12-N16 PolarHBondContact O-ND2 2.78Å; N12-N16 VanDerWaalsContact O-ND2 3.09Å
13R88.4Confident88.4Confident30 Ų3079.4 Ų79.411%0.11340%0.397CS..Hα-helixtrans-62.7-46.3170-79.6-177.4-62.8-93.15.1111.8A9 D10 N16 G17 Q18A9-R13 WeakPolarHBondContact O-CG 3.48Å; A9-R13 PolarHBondContact O-N 3.43Å; A9-R13 PolarHBondContact O-NH1 3.28Å; D10-R13 VanDerWaalsContact CA-NH2 3.3Å; D10-R13 VanDerWaalsContact CB-NH2 3.29Å; D10-R13 CarbonylContact O-C 3.5Å; D10-R13 WeakPolarHBondContact O-CA 3.15Å; D10-R13 WeakPolarHBondContact O-CB 3.46Å; D10-R13 PolarHBondContact O-N 2.87Å; D10-R13 IonicContact OD1-CZ 3.03Å; D10-R13 VanDerWaalsContact OD1-CZ 3.3Å; D10-R13 IonicContact OD1-NE 2.78Å; D10-R13 PolarHBondContact OD1-NE 2.91Å; D10-R13 IonicContact OD1-NH2 3.95Å; D10-R13 PolarHBondContact OD1-NH2 2.98Å; R13-N16 CarbonylContact O-C 3.35Å; R13-N16 WeakPolarHBondContact O-CA 3.24Å; R13-N16 PolarHBondContact O-N 3.49Å; R13-N16 VanDerWaalsContact O-N 3.07Å; R13-G17 PolarHBondContact O-N 2.89Å; R13-G17 VanDerWaalsContact O-N 3.11Å; R13-Q18 HydrophobicContact CB-CB 3.99Å; R13-Q18 HydrophobicContact CG-CB 4.18Å; R13-Q18 PolarHBondContact O-N 3.43Å
14R85.8Confident88.2Confident109 Ų10985.1 Ų85.141%0.41144%0.435SS..Hα-helixtrans-58.8-48.8178-68.2173.6-166.2-153.54.2111.6D10 A11 N16 G17 M42D10-R14 WeakPolarHBondContact O-CG 3.22Å; D10-R14 PolarHBondContact O-N 2.69Å; D10-R14 IonicContact OD2-CZ 2.66Å; D10-R14 IonicContact OD2-NE 2.7Å; D10-R14 PolarHBondContact OD2-NE 3.03Å; D10-R14 IonicContact OD2-NH2 3.71Å; D10-R14 PolarHBondContact OD2-NH2 3.44Å; A11-R14 PolarHBondContact O-N 3.15Å; R14-N16 PolarHBondContact O-N 3.39Å; R14-G17 PolarHBondContact O-N 3.01Å; R14-M42 PolarHBondContact NH1-SD 3.49Å; R14-M42 VanDerWaalsContact NH1-SD 3.37Å
15R87.2Confident88.1Confident158 Ų15887 Ų8760%0.59644%0.444SS*.Hα-helixtrans-58-31.1174.5-68165.1-168.2163.1-0.2112.8A11 N12 D41A11-R15 WeakPolarHBondContact O-CD 3.34Å; A11-R15 VanDerWaalsContact O-CG 3.24Å; A11-R15 WeakPolarHBondContact O-CG 3.47Å; A11-R15 PolarHBondContact O-N 3.09Å; N12-R15 PolarHBondContact OD1-NH1 3.33Å; N12-R15 VanDerWaalsContact OD1-NH1 3.16Å; R15-D41 IonicContact CZ-OD2 3.91Å; R15-D41 IonicContact NE-OD2 2.73Å; R15-D41 IonicContact NH2-OD2 2.69Å; R15-D41 PolarHBondContact NH2-OD2 3.31Å
16N88.9Confident87.8Confident117 Ų11780.3 Ų80.363%0.62642%0.42SS*.THydrogen-bonded Turntrans-89.97.2175.9-67.1-24000114.1N12 R13 R14 Q18N12-N16 WeakPolarHBondContact O-CB 3.44Å; N12-N16 PolarHBondContact O-N 3.11Å; N12-N16 VanDerWaalsContact O-N 3.14Å; N12-N16 PolarHBondContact O-ND2 2.78Å; N12-N16 VanDerWaalsContact O-ND2 3.09Å; R13-N16 CarbonylContact O-C 3.35Å; R13-N16 WeakPolarHBondContact O-CA 3.24Å; R13-N16 PolarHBondContact O-N 3.49Å; R13-N16 VanDerWaalsContact O-N 3.07Å; R14-N16 PolarHBondContact O-N 3.39Å; N16-Q18 HydrophobicContact CB-CG 4.19Å; N16-Q18 PolarHBondContact O-N 2.91Å
17G88.1Confident87.4Confident73 Ų7384.5 Ų84.575%0.75345%0.445SS*.THydrogen-bonded Turntrans66.615.8-177.900000115R13 R14R13-G17 PolarHBondContact O-N 2.89Å; R13-G17 VanDerWaalsContact O-N 3.11Å; R14-G17 PolarHBondContact O-N 3.01Å
18Q89.4Confident87.4Confident117 Ų11790.3 Ų90.355%0.54747%0.471SS..PPolyproline II helixtrans-89.4146.5-178.4-63.7-178.6-6.700111.3R13 N16R13-Q18 HydrophobicContact CB-CB 3.99Å; R13-Q18 HydrophobicContact CG-CB 4.18Å; R13-Q18 PolarHBondContact O-N 3.43Å; N16-Q18 HydrophobicContact CB-CG 4.19Å; N16-Q18 PolarHBondContact O-N 2.91Å
19R83.8Confident87.3Confident230 Ų23088.1 Ų88.187%0.86846%0.459SS*.PPolyproline II helixtrans-62.3144178.6-69.1-170.9176.1-149.50.4111.6L21R19-L21 PolarHBondContact O-N 2.84Å
20R84.5Confident87.1Confident109 Ų10991.3 Ų91.341%0.41146%0.463SS..PPolyproline II helixtrans-55.9131.3169-176.8165.4-152-157.86.8109.5W6 D10W6-R20 HydrophobicContact CZ2-CG 4.37Å; D10-R20 WeakPolarHBondContact OD1-CA 3.15Å; D10-R20 WeakPolarHBondContact OD1-CG 3.33Å; D10-R20 WeakPolarHBondContact OD2-CG 3.23Å; D10-R20 IonicContact OD2-NE 2.65Å; D10-R20 PolarHBondContact OD2-NE 3.42Å
21L84.7Confident87Confident104 Ų10497.6 Ų97.655%0.54549%0.49SS..PPolyproline II helixtrans-92.4132170.2-64.9178.3000107.8W6 R19W6-L21 VanDerWaalsContact CE2-O 3.27Å; W6-L21 WeakPolarHBondContact CZ2-O 3.47Å; W6-L21 PolarHBondContact NE1-O 3.46Å; R19-L21 PolarHBondContact O-N 2.84Å
22A84.4Confident86.9Confident103 Ų10399 Ų9985%0.85149%0.494SS*.PPolyproline II helixtrans-62.2144.7175.900000111.3
23Y89.9Confident86.7Confident55 Ų5596.5 Ų96.522%0.21648%0.481CS..  trans-122.5128.9168.8176.4-96.1000107.3Y3 W6 L25 A26 L29Y3-Y23 AromaticContact CD2-CD1 3.94Å; Y3-Y23 HydrophobicContact CD2-CD1 3.94Å; Y3-Y23 AromaticContact CD2-CE1 3.89Å; Y3-Y23 HydrophobicContact CD2-CE1 3.89Å; W6-Y23 HydrophobicContact CB-CD2 4.04Å; W6-Y23 HydrophobicContact CB-CG 4.4Å; W6-Y23 HydrophobicContact CD2-CG 4.07Å; W6-Y23 HydrophobicContact CE3-CG 4.4Å; W6-Y23 HydrophobicContact CG-CD2 4.04Å; W6-Y23 HydrophobicContact CG-CG 4.06Å; Y23-L25 VanDerWaalsContact C-N 3.27Å; Y23-L25 HydrophobicContact CD1-CB 4.39Å; Y23-L25 HydrophobicContact CE1-CB 3.92Å; Y23-L25 PolarHBondContact O-N 2.96Å; Y23-L25 VanDerWaalsContact O-N 3.14Å; Y23-A26 HydrophobicContact CD1-CB 4.39Å; Y23-A26 WeakPolarHBondContact O-CB 3.23Å; Y23-A26 PolarHBondContact O-N 2.83Å; Y23-L29 HydrophobicContact CE1-CD1 4.2Å
24P88.9Confident86.2Confident124 Ų124105.2 Ų105.281%0.80551%0.513SS*.THydrogen-bonded Turntrans-58.2-34.1-166.1-29.336.3000115.3
25L88.6Confident85.6Confident73 Ų73106.8 Ų106.838%0.38253%0.525SS..THydrogen-bonded Turntrans-103.828.6-178.9-49.3175.6000111.7Y23 D27 E28 L29Y23-L25 VanDerWaalsContact C-N 3.27Å; Y23-L25 HydrophobicContact CD1-CB 4.39Å; Y23-L25 HydrophobicContact CE1-CB 3.92Å; Y23-L25 PolarHBondContact O-N 2.96Å; Y23-L25 VanDerWaalsContact O-N 3.14Å; L25-D27 PolarHBondContact O-N 3.42Å; L25-E28 HydrophobicContact CB-CB 4.38Å; L25-E28 WeakPolarHBondContact CD2-OE1 3.49Å; L25-L29 HydrophobicContact CB-CD1 4.1Å; L25-L29 HydrophobicContact CB-CG 4.17Å; L25-L29 WeakPolarHBondContact O-CB 3.03Å; L25-L29 WeakPolarHBondContact O-CG 2.72Å; L25-L29 PolarHBondContact O-N 3.39Å
26A84.7Confident85Confident10 Ų10102 Ų1028%0.08351%0.511CS..THydrogen-bonded Turntrans-65.7-39.3-17300000112.9W6 Y23 R30W6-A26 HydrophobicContact CH2-CB 3.69Å; W6-A26 HydrophobicContact CZ2-CB 4.45Å; W6-A26 HydrophobicContact CZ3-CB 4.06Å; Y23-A26 HydrophobicContact CD1-CB 4.39Å; Y23-A26 WeakPolarHBondContact O-CB 3.23Å; Y23-A26 PolarHBondContact O-N 2.83Å; A26-R30 WeakPolarHBondContact O-CB 3.4Å; A26-R30 PolarHBondContact O-N 3.01Å
27D85Confident83.7Confident114 Ų114103.1 Ų103.161%0.6152%0.517SS*.THydrogen-bonded Turntrans-83.2-31.5179.9-62.2-59.2000112L25 R30L25-D27 PolarHBondContact O-N 3.42Å; D27-R30 WeakPolarHBondContact O-CB 3.35Å; D27-R30 WeakPolarHBondContact OD1-CD 3.49Å; D27-R30 IonicContact OD1-CZ 3.03Å; D27-R30 IonicContact OD1-NE 3.61Å; D27-R30 IonicContact OD1-NH1 3.67Å; D27-R30 PolarHBondContact OD1-NH1 3.14Å
28E89.4Confident82.5Confident133 Ų133100.9 Ų100.962%0.62149%0.488SS*.THydrogen-bonded Turntrans-66.6-36173.1-69.5176.2-132.600112.9L25 F31L25-E28 HydrophobicContact CB-CB 4.38Å; L25-E28 WeakPolarHBondContact CD2-OE1 3.49Å; E28-F31 WeakPolarHBondContact O-CD1 3.2Å; E28-F31 VanDerWaalsContact O-CE1 3.24Å; E28-F31 WeakPolarHBondContact O-CE1 3.22Å
29L89.1Confident80.6Confident45 Ų4597.8 Ų97.824%0.23648%0.482CS..SBendtrans-98.12.8-178.7-62.1-178.9000113.8Y3 Y23 L25 F31 L32Y3-L29 HydrophobicContact CD1-CB 4.04Å; Y3-L29 HydrophobicContact CD2-CB 3.85Å; Y3-L29 HydrophobicContact CD2-CD1 4.39Å; Y3-L29 HydrophobicContact CE1-CB 4.39Å; Y3-L29 WeakPolarHBondContact CE1-O 3.46Å; Y3-L29 HydrophobicContact CE2-CB 4.2Å; Y3-L29 HydrophobicContact CG-CB 3.79Å; Y3-L29 HydrophobicContact CG-CD1 4.16Å; Y23-L29 HydrophobicContact CE1-CD1 4.2Å; L25-L29 HydrophobicContact CB-CD1 4.1Å; L25-L29 HydrophobicContact CB-CG 4.17Å; L25-L29 WeakPolarHBondContact O-CB 3.03Å; L25-L29 WeakPolarHBondContact O-CG 2.72Å; L25-L29 PolarHBondContact O-N 3.39Å; L29-F31 HydrophobicContact CD2-CE1 4.17Å; L29-F31 PolarHBondContact O-N 2.88Å; L29-F31 VanDerWaalsContact O-N 3.16Å; L29-L32 HydrophobicContact CB-CD1 4.27Å; L29-L32 HydrophobicContact CD2-CD1 4.29Å; L29-L32 VanDerWaalsContact O-CB 3.26Å; L29-L32 WeakPolarHBondContact O-CB 3.44Å; L29-L32 WeakPolarHBondContact O-CG 3.22Å; L29-L32 PolarHBondContact O-N 3.16Å
30R84.9Confident78.9Confident107 Ų10794.2 Ų94.240%0.40448%0.48SS..G310 helixtrans-61.1-24.9-176.6-138.1161.6161.1-178.1-13.9113.3A26 D27 L32 D33A26-R30 WeakPolarHBondContact O-CB 3.4Å; A26-R30 PolarHBondContact O-N 3.01Å; D27-R30 WeakPolarHBondContact O-CB 3.35Å; D27-R30 WeakPolarHBondContact OD1-CD 3.49Å; D27-R30 IonicContact OD1-CZ 3.03Å; D27-R30 IonicContact OD1-NE 3.61Å; D27-R30 IonicContact OD1-NH1 3.67Å; D27-R30 PolarHBondContact OD1-NH1 3.14Å; R30-L32 PolarHBondContact O-N 3.1Å; R30-D33 WeakPolarHBondContact CG-OD2 3.49Å; R30-D33 WeakPolarHBondContact O-CB 3.39Å; R30-D33 PolarHBondContact O-N 3.42Å
31F86Confident77.1Confident135 Ų13593.8 Ų93.859%0.59249%0.486SS*.G310 helixtrans-59.5-26.717273-89.2000113E28 L29 D33E28-F31 WeakPolarHBondContact O-CD1 3.2Å; E28-F31 VanDerWaalsContact O-CE1 3.24Å; E28-F31 WeakPolarHBondContact O-CE1 3.22Å; L29-F31 HydrophobicContact CD2-CE1 4.17Å; L29-F31 PolarHBondContact O-N 2.88Å; L29-F31 VanDerWaalsContact O-N 3.16Å; F31-D33 VanDerWaalsContact C-N 3.28Å; F31-D33 PolarHBondContact O-N 3.16Å
32L86Confident75.4Confident52 Ų5292.5 Ų92.527%0.27248%0.478SS..G310 helixtrans-70.8-19.5176.6-61.7175.7000113Y3 L29 R30 R34 H35 L36Y3-L32 HydrophobicContact CD1-CB 4.27Å; Y3-L32 HydrophobicContact CD1-CD1 4.34Å; Y3-L32 HydrophobicContact CE1-CB 4.32Å; L29-L32 HydrophobicContact CB-CD1 4.27Å; L29-L32 HydrophobicContact CD2-CD1 4.29Å; L29-L32 VanDerWaalsContact O-CB 3.26Å; L29-L32 WeakPolarHBondContact O-CB 3.44Å; L29-L32 WeakPolarHBondContact O-CG 3.22Å; L29-L32 PolarHBondContact O-N 3.16Å; R30-L32 PolarHBondContact O-N 3.1Å; L32-R34 PolarHBondContact O-N 3.08Å; L32-R34 VanDerWaalsContact O-N 3.16Å; L32-H35 CarbonylContact O-C 3.58Å; L32-H35 WeakPolarHBondContact O-CA 3.34Å; L32-H35 PolarHBondContact O-N 2.99Å; L32-L36 HydrophobicContact CB-CD1 3.95Å; L32-L36 HydrophobicContact CB-CG 4.35Å; L32-L36 WeakPolarHBondContact O-CB 3.42Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 2.87Å
33D82.9Confident73.5Confident28 Ų2892.3 Ų92.315%0.1548%0.477CS..G310 helixtrans-59-32.4-178.4-71-28.8000112.1Y3 R30 F31 H35 L36Y3-D33 WeakPolarHBondContact CE1-OD1 3.38Å; Y3-D33 PolarHBondContact OH-OD1 2.96Å; Y3-D33 PolarHBondContact OH-OD2 2.87Å; R30-D33 WeakPolarHBondContact CG-OD2 3.49Å; R30-D33 WeakPolarHBondContact O-CB 3.39Å; R30-D33 PolarHBondContact O-N 3.42Å; F31-D33 VanDerWaalsContact C-N 3.28Å; F31-D33 PolarHBondContact O-N 3.16Å; D33-H35 VanDerWaalsContact C-N 3.32Å; D33-H35 PolarHBondContact O-N 3.2Å; D33-L36 PolarHBondContact O-N 3.22Å
34R77.5Confident71.2Confident213 Ų21393.8 Ų93.880%0.80450%0.5SS*.G310 helixtrans-67.6-28174.3-171.2177.3-176.6-174.20.9113.4L32L32-R34 PolarHBondContact O-N 3.08Å; L32-R34 VanDerWaalsContact O-N 3.16Å
35H74.8Confident69Low142 Ų14295.4 Ų95.466%0.65750%0.502SS*.THydrogen-bonded Turntrans-96.9-12.4-179.5-62-84000113.1L32 D33L32-H35 CarbonylContact O-C 3.58Å; L32-H35 WeakPolarHBondContact O-CA 3.34Å; L32-H35 PolarHBondContact O-N 2.99Å; D33-H35 VanDerWaalsContact C-N 3.32Å; D33-H35 PolarHBondContact O-N 3.2Å
36L74.6Confident66.9Low58 Ų5897.8 Ų97.830%0.30452%0.515SS..THydrogen-bonded Turntrans-97.55.7-178-69.5174.2000113.5Y3 T4 L32 D33 I38Y3-L36 HydrophobicContact CD1-CD1 3.99Å; Y3-L36 HydrophobicContact CE1-CD1 4.24Å; T4-L36 HydrophobicContact CG2-CD1 4.18Å; T4-L36 HydrophobicContact CG2-CD2 3.75Å; L32-L36 HydrophobicContact CB-CD1 3.95Å; L32-L36 HydrophobicContact CB-CG 4.35Å; L32-L36 WeakPolarHBondContact O-CB 3.42Å; L32-L36 VanDerWaalsContact O-CG 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 2.87Å; D33-L36 PolarHBondContact O-N 3.22Å; L36-I38 HydrophobicContact CB-CD1 3.56Å; L36-I38 HydrophobicContact CB-CG1 3.88Å; L36-I38 HydrophobicContact CD1-CD1 3.9Å; L36-I38 HydrophobicContact CG-CD1 4.39Å; L36-I38 PolarHBondContact O-N 2.73Å
37N61.1Low64.7Low140 Ų140105 Ų10575%0.74955%0.553SS**THydrogen-bonded Turntrans52.932.2-176.3-62.4-20.4000113.8A39N37-A39 VanDerWaalsContact C-N 3.33Å
38I61.6Low62.5Low26 Ų26110.8 Ų110.813%0.13357%0.566CS.*  trans-82.7-16.3176.3-62.3163.1000111.1C7 L36 D40 D41 M42C7-I38 HydrophobicContact CB-CD1 3.6Å; L36-I38 HydrophobicContact CB-CD1 3.56Å; L36-I38 HydrophobicContact CB-CG1 3.88Å; L36-I38 HydrophobicContact CD1-CD1 3.9Å; L36-I38 HydrophobicContact CG-CD1 4.39Å; L36-I38 PolarHBondContact O-N 2.73Å; I38-D40 VanDerWaalsContact C-N 3.3Å; I38-D40 PolarHBondContact O-N 3.14Å; I38-D41 PolarHBondContact O-N 2.84Å; I38-M42 HydrophobicContact CG2-CE 3.78Å; I38-M42 HydrophobicContact CG2-CG 4.43Å
39A51.2Low60Low53 Ų53108.9 Ų108.944%0.43857%0.567SS.*G310 helixtrans-56.9-33.9-171.900000114.9N37 D41 M42 A43N37-A39 VanDerWaalsContact C-N 3.33Å; A39-D41 PolarHBondContact O-N 3.37Å; A39-M42 PolarHBondContact O-N 2.85Å; A39-A43 PolarHBondContact O-N 3.06Å
40D47.3Very low57.7Low154 Ų154113.6 Ų113.682%0.82460%0.598SS**G310 helixtrans-69.3-17.8-175.5-66.4-23.7000113.9I38I38-D40 VanDerWaalsContact C-N 3.3Å; I38-D40 PolarHBondContact O-N 3.14Å
41D46.2Very low55.3Low100 Ų100114 Ų11454%0.53562%0.617SS.*G310 helixtrans-99.89.7174.1-131-2.5000111.6R15 I38 A39R15-D41 IonicContact CZ-OD2 3.91Å; R15-D41 IonicContact NE-OD2 2.73Å; R15-D41 IonicContact NH2-OD2 2.69Å; R15-D41 PolarHBondContact NH2-OD2 3.31Å; I38-D41 PolarHBondContact O-N 2.84Å; A39-D41 PolarHBondContact O-N 3.37Å
42M49.4Very low53.1Low77 Ų77110.9 Ų110.938%0.37961%0.612SS.*THydrogen-bonded Turntrans-118.5-20-179.9-63-70.5179.100114.2R14 I38 A39 A44R14-M42 PolarHBondContact NH1-SD 3.49Å; R14-M42 VanDerWaalsContact NH1-SD 3.37Å; I38-M42 HydrophobicContact CG2-CE 3.78Å; I38-M42 HydrophobicContact CG2-CG 4.43Å; A39-M42 PolarHBondContact O-N 2.85Å; M42-A44 PolarHBondContact O-N 2.94Å
43A43.6Very low50.8Low99 Ų99116.7 Ų116.782%0.81864%0.643SS**THydrogen-bonded Turntrans-71.429.8-174.900000115.5A39A39-A43 PolarHBondContact O-N 3.06Å
44A43.3Very low48.9Very low86 Ų86124.5 Ų124.571%0.71168%0.676SS**THydrogen-bonded Turntrans-124.9-28.1-174.600000115M42M42-A44 PolarHBondContact O-N 2.94Å
45D42.5Very low47Very low159 Ų159120.9 Ų120.985%0.8567%0.673SS**SBendtrans-154.267.4-171.1-88.2-53.7000112.5
46D43.8Very low45.4Very low122 Ų122125.2 Ų125.265%0.65268%0.683SS**  trans-143.548168.7-148.43.7000114.3
47D38.8Very low43.7Very low163 Ų163129.8 Ų129.887%0.87271%0.708SS**SBendtrans-123.91.2168.9-119.1-32.1000112.6
48R37.5Very low42.6Very low235 Ų235130.3 Ų130.389%0.88771%0.71SS**SBendtrans-15378.7-179-69.2-169.5178.2177.40.2114.1
49S37.1Very low41.6Very low93 Ų93136.2 Ų136.265%0.6574%0.743SS**  trans-179.365.3143-81.90000114
50V41.3Very low40.8Very low144 Ų144144.3 Ų144.387%0.87376%0.762SS**SBendtrans-104.238.4166.6-163.30000110.7
51S34.5Very low40Very low114 Ų114144 Ų14480%0.79776%0.76SS**SBendtrans-167.644.2-174.554.80000116.4
52S39.4Very low39.3Very low71 Ų71144.2 Ų144.250%0.49777%0.77SS.*  trans-149.216.3176.477.50000119.1K54S52-K54 PolarHBondContact O-N 3.41Å; S52-K54 VanDerWaalsContact O-N 3.14Å
53D38.5Very low38.4Very low174 Ų174150.1 Ų150.193%0.9380%0.796SS**THydrogen-bonded Turntrans-89.147.7178.1-152.528.5000112.7
54K42.9Very low37.7Very low192 Ų192148.7 Ų148.784%0.83579%0.791SS**THydrogen-bonded Turntrans-145.9-19-178.8-136.3173.4-173.7176.90116S52S52-K54 PolarHBondContact O-N 3.41Å; S52-K54 VanDerWaalsContact O-N 3.14Å
55D38.4Very low37Very low137 Ų137151.6 Ų151.673%0.73380%0.8SS**SBendtrans-115.337-170-62.2-64.5000113.5
56R40.5Very low36.4Very low232 Ų232150 Ų15088%0.87579%0.791SS**SBendtrans-123.45.4-175-129.8173.9-172.1154.95.6117.7
57D39.1Very low35.8Very low155 Ų155152.2 Ų152.283%0.82980%0.797SS**SBendtrans-93.4-17.5170.7-71.8-36.2000113.4N59D57-N59 VanDerWaalsContact C-N 3.32Å; D57-N59 PolarHBondContact O-N 3.04Å
58N37.8Very low35.3Very low150 Ų150151.6 Ų151.680%0.80279%0.789SS**SBendtrans-8661.7179.7-74.2-16.3000113.2
59N40.1Very low34.7Very low151 Ų151145.2 Ų145.281%0.80779%0.786SS**  trans-170.378.6153.6-110.6-63.3000110.6D57D57-N59 VanDerWaalsContact C-N 3.32Å; D57-N59 PolarHBondContact O-N 3.04Å
60R35.6Very low34.3Very low222 Ų222148.8 Ų148.884%0.83879%0.793SS**  trans-147.945.4168.8-154.1179.5-178.1161.33.6112.3S62R60-S62 PolarHBondContact O-N 3.48Å
61D29.6Very low33.7Very low148 Ų148146.9 Ų146.979%0.79179%0.792SS**  trans-57.6132.1171.2-63.1-39.1000109.3
62S31.1Very low33.4Very low105 Ų105147 Ų14773%0.73479%0.793SS**  trans-139.970.6175.2-66.30000107.2R60R60-S62 PolarHBondContact O-N 3.48Å
63E31.4Very low32.9Very low200 Ų200152 Ų15294%0.93581%0.814SS**  trans-61.3138.3165-66.9-151.1136.400109.8
64G28.4Very low32.4Very low70 Ų70152.2 Ų152.272%0.72281%0.806SS**  trans16421-173.400000117.2
65V28.6Very low31.7Very low146 Ų146148.7 Ų148.789%0.88579%0.793SS**  trans-136.5103.6165.3-175.90000109.5
66D29.5Very low31Very low126 Ų126152.1 Ų152.167%0.67480%0.795SS**  trans-84142.4177.3-90.6-56.8000113
67H31.3Very low30.3Very low168 Ų168145.3 Ų145.378%0.77879%0.789SS**  trans58.5147.8153.3-43.4-15.1000116.7
68H27.9Very low29.9Very low150 Ų150143.4 Ų143.469%0.69479%0.788SS**  cis-160.6133.616.6-162.9-18.5000108.1Q70H68-Q70 VanDerWaalsContact CE1-CG 3.43Å; H68-Q70 WeakPolarHBondContact CE1-CG 3.46Å
69A26.2Very low29.5Very low101 Ų101140.8 Ų140.884%0.83578%0.781SS**  trans-117.4110.7161.700000109
70Q28.8Very low28.9Very low168 Ų168139.8 Ų139.879%0.78578%0.78SS**  trans-89.5131.7163.9-70.7-168.6-200109.4H68H68-Q70 VanDerWaalsContact CE1-CG 3.43Å; H68-Q70 WeakPolarHBondContact CE1-CG 3.46Å
71A27.8Very low29Very low104 Ų104134.2 Ų134.286%0.8678%0.775SS**  -172.6141.4124.200000109.7
72S28.7Very low29.3Very low117 Ų117136 Ų13682%0.81878%0.776SS**  trans-97.2161.518049.50000112.8K74S72-K74 PolarHBondContact O-N 3.48Å
73L29.3Very low29.2Very low177 Ų177138 Ų13893%0.92778%0.778SS**  trans-60.7117.4175.6-81.8156.2000113.2
74K28.3Very low29Very low178 Ų178134.2 Ų134.277%0.77477%0.768SS**  trans-162.4151.4150.7-91.9-162.3163-152.20108.2S72S72-K74 PolarHBondContact O-N 3.48Å
75E26.3Very low29Very low118 Ų118138.8 Ų138.855%0.55177%0.768SS**  cis-147.8149.20.5-133.3-174.697.900111.3
76R25.1Very low29Very low208 Ų208138.5 Ų138.579%0.78576%0.757SS**  trans56.988.7133.4-161.1-174.2-147.7131.3-6.1121.6
77A26Very low29Very low89 Ų89138.4 Ų138.474%0.73676%0.761SS**  68.6174.7116.100000121.9
78S30.1Very low28.9Very low116 Ų116139.2 Ų139.281%0.81176%0.762SS**  trans71.2140.7-178750000116
79S28.4Very low28.8Very low95 Ų95139.5 Ų139.566%0.66477%0.768SS**  cis-170157.3-17.443.20000110.3
80T29Very low28.8Very low129 Ų129138 Ų13879%0.79176%0.756SS**  trans41.9129.215054.90000119.5
81S36.7Very low28.6Very low105 Ų105134.7 Ų134.773%0.73475%0.751SS**  cis-159.9151.247.349.70000110.2
82K37Very low28.6Very low186 Ų186138.7 Ų138.781%0.80975%0.752SS**  49134.173.6-80.1-171.9-180-177.20113.2
83L29Very low28.6Very low147 Ų147139 Ų13977%0.7775%0.748SS**  cis-168.3176.6-7.1-166.369.7000108.7
84V25.8Very low28.4Very low120 Ų120141.1 Ų141.173%0.72774%0.744SS**  trans77.6118.3166.1-173.40000113.7
85K30Very low28.3Very low167 Ų167142 Ų14273%0.72675%0.748SS**  cis91.9127.739.4-86.8-171.8155-127.50115
86E27.6Very low28.3Very low139 Ų139143.5 Ų143.565%0.6576%0.755SS**  trans52.6111.4139.5-69.5174116.800119.4
87V29.4Very low28.5Very low124 Ų124141.5 Ų141.575%0.75275%0.752SS**  89.6150.972.2156.20000112.6
88K28.6Very low28.4Very low185 Ų185141.9 Ų141.980%0.80475%0.749SS**  trans71.6153.5175.5-86.2173.5-178.1174.80114.3
89L27.6Very low28.3Very low156 Ų156140.4 Ų140.482%0.81774%0.739SS**  cis-144.9-178.5-0.2-89.2127.2000107.3
90A26.3Very low28.4Very low71 Ų71143.7 Ų143.759%0.58774%0.744SS**  cis176.6-169.4-3900000108.5
91S24.6Very low28.5Very low97 Ų97142.1 Ų142.168%0.67873%0.731SS**  trans58.6115.7154.150.30000119.5
92Q27.3Very low28.3Very low188 Ų188144.3 Ų144.388%0.87973%0.727SS**  77.6104.164.4-177-165.235.200114
93V27.6Very low27.8Very low123 Ų123144.5 Ų144.575%0.74572%0.723SS**  trans-141.7129164.31790000111.1
94R26.3Very low27.9Very low223 Ų223144.1 Ų144.184%0.84272%0.717SS**  trans19.3126.4157.1-60.6169.4-178.8138.90.6119.3
95K24.7Very low27.9Very low197 Ų197145.1 Ų145.186%0.85772%0.718SS**  74.896.453.6-174.7-163.7177.4-179.20114.1
96E26.8Very low27.8Very low149 Ų149148.3 Ų148.370%0.69673%0.726SS**  trans-166.6141.4142.2-99.9-152.6146.100112.2
97K29.6Very low27.7Very low166 Ų166150.8 Ų150.872%0.72274%0.737SS**  trans54.8146.2152.5-62.4158.7-174.5154.10120
98S24.6Very low27.7Very low97 Ų97152.2 Ų152.268%0.67874%0.741SS**  cis-168.6171-19.154.50000110
99S27.3Very low28.3Very low85 Ų85149.5 Ų149.559%0.59474%0.742SS**  trans52.4109.1150.453.80000119.3
100Q30.6Very low28.3Very low164 Ų164145.4 Ų145.477%0.76674%0.738SS**  72.7147.4101.8-73.3179.4-98.900115.1
101D30.1Very low28.4Very low96 Ų96148.2 Ų148.251%0.51374%0.743SS.*  cis-158.1161.9-2.1-111.6-15.2000105.4
102K32.4Very low28.8Very low151 Ų151151.1 Ų151.166%0.65774%0.743SS**  cis-162.9142.516.3-128.6154.2-172.51300110.2
103R27.7Very low29Very low190 Ų190150.1 Ų150.172%0.71774%0.739SS**  trans44.4149.9131.5-64.3178.5-172.4-116.52.9121.1
104E29.9Very low29.3Very low138 Ų138154.6 Ų154.665%0.64574%0.742SS**  cis-154.6140.2-5-111.8145.7-178.700107.1
105N26.8Very low29.5Very low142 Ų142149.3 Ų149.376%0.75974%0.74SS**  64.8147.686.7-157.946.9000116.6
106W28.1Very low29.9Very low233 Ų233150.5 Ų150.588%0.88374%0.739SS**  trans-80.3149.6-173.7-66.444.6000113
107E25.1Very low30.1Very low191 Ų191152.2 Ų152.289%0.89374%0.744SS**  trans-156.6140.7143.5-122162.4-140.300113
108N30.6Very low30.3Very low154 Ų154154.1 Ų154.182%0.82475%0.752SS**  trans-120.1154.7158.7-115.7-18.7000104.6
109P40.5Very low30.6Very low128 Ų128155.4 Ų155.483%0.83176%0.761SS**  cis-116.2176.714.139.7-27.2000113.4
110G26.3Very low30.8Very low71 Ų71155.3 Ų155.373%0.73277%0.765SS**  trans-90.4166.2-175.700000115.6
111D29.8Very low30.9Very low130 Ų130156.6 Ų156.670%0.69577%0.771SS**  trans-150.6155.4154.6-147.85000114.4
112K33Very low31.1Very low157 Ų157161 Ų16168%0.68379%0.789SS**  trans12.1122.3164.4-68.5155.3-164.881.20122
113Q31.8Very low31Very low167 Ų167161.1 Ų161.178%0.7879%0.789SS**  trans74.1121.4130.3-65.6-167.2-6.200124
114R32.4Very low31.4Very low217 Ų217159 Ų15982%0.81979%0.791SS**  trans71.9108132.6-73.7-177.4162.2-175-3.8122.2
115S31.9Very low31.4Very low113 Ų113157.3 Ų157.379%0.7979%0.787SS**  trans82.5153.7130.288.60000118.3
116R32.1Very low31.4Very low222 Ų222157.2 Ų157.284%0.83879%0.787SS**  cis-160.11495.2-153.7176.7176.3177.6-0.8113
117K31.7Very low31.7Very low185 Ų185152.3 Ų152.380%0.80478%0.777SS**  trans108.8115.8152.2-64-178.9177175.60120.3
118K33.7Very low32Very low205 Ų205150.9 Ų150.989%0.89177%0.77SS**  trans60.3106140.1-71.5-164.6169.4-163.60121.8
119S30.3Very low32Very low124 Ų124151.1 Ų151.187%0.86777%0.766SS**  -164.5171.5103.355.20000111.3
120A33.2Very low31.4Very low83 Ų83149.5 Ų149.569%0.68676%0.758SS**  trans-41.4137.7-176.300000115.6
121E32.1Very low31.5Very low191 Ų191153.8 Ų153.889%0.89377%0.765SS**  77.8123.669.4-150.3155.8-135.500110.2
122E33.9Very low31.6Very low189 Ų189156.2 Ų156.288%0.88377%0.771SS**  -149.2166.258.2-168.9170.7-171.700113
123K31.2Very low32.5Very low153 Ų153153.7 Ų153.767%0.66577%0.771SS**  trans-105.5153.6175.9-75.5179.479.8-81.80110.4D125K123-D125 IonicContact NZ-OD2 2.59Å; K123-D125 PolarHBondContact NZ-OD2 3.46Å
124L34.7Very low32.4Very low145 Ų145152.8 Ų152.876%0.75977%0.767SS**  69.8132.751-102.9-172000116.3
125D29.5Very low32.2Very low104 Ų104150.2 Ų150.256%0.55676%0.762SS**  trans96.7119.6160.7-46.8-35.5000119.7K123K123-D125 IonicContact NZ-OD2 2.59Å; K123-D125 PolarHBondContact NZ-OD2 3.46Å
126D27.5Very low32.5Very low140 Ų140151.1 Ų151.175%0.74976%0.762SS**  trans68.6134.6132-68.8-16.3000128
127L33.8Very low33Very low129 Ų129145.5 Ų145.568%0.67575%0.754SS**  trans65.3141.4133.2-66.1168000124.8
128E32Very low33Very low161 Ų161144.6 Ų144.675%0.75275%0.753SS**  trans52.1168.2139.5-70165.7-174.700120.7
129E30.4Very low33Very low159 Ų159141.5 Ų141.574%0.74375%0.746SS**  cis-171141.8-40.9172.9167163.300106.7
130S29.3Very low32.8Very low95 Ų95141.6 Ų141.666%0.66474%0.736SS**  trans60.4164.3172.2-61.80000116.7
131D27.6Very low32.8Very low161 Ų161142.4 Ų142.486%0.86174%0.737SS**  cis-139.2171.119.6-95.6-54.7000113.6
132E32.3Very low32.8Very low180 Ų180141.6 Ų141.684%0.84173%0.731SS**  trans-93.8-172.2165.6-118.4-171.2-173.200110.4
133P51.6Low32.8Very low105 Ų105138.1 Ų138.168%0.68272%0.718SS**  cis-129.8-168.4-15.635.2-14.2000112.8
134E28.5Very low32.8Very low147 Ų147137.5 Ų137.569%0.68772%0.717SS**  162.1156.4109.6-131.6-147.5153.100115.6
135K28.5Very low32.5Very low163 Ų163135.8 Ų135.871%0.70972%0.718SS**  trans59.4105.3161.7-80.4174.4177.376.80121
136V39.2Very low32.8Very low133 Ų133137.1 Ų137.181%0.80672%0.724SS**  trans-69.5161.2150.6-146.80000109.9
137P42.4Very low33.1Very low103 Ų103136.4 Ų136.467%0.66972%0.721SS**  -148.5149.499.637.7-21.8000116.1
138E31.8Very low33.6Very low167 Ų167138.4 Ų138.478%0.7873%0.727SS**  trans65.7152.1142.2-68-176.2-178.800119.6
139L32.8Very low33.7Very low140 Ų140138.4 Ų138.473%0.73373%0.732SS**  cis-160.1164.31.1-128.5172.1000112.2
140D27.4Very low33.8Very low125 Ų125138.6 Ų138.667%0.66874%0.738SS**  trans91.4157.7140.2-139.94.3000123.2
141S32.4Very low34.1Very low100 Ų100142.9 Ų142.970%0.69975%0.747SS**  trans71.1116.5-176.464.90000116.3
142F32.1Very low34.4Very low174 Ų174140.4 Ų140.476%0.76374%0.741SS**  68.3136.151.7-78.1-132.5000113.9
143L33Very low34.4Very low116 Ų116140.7 Ų140.761%0.60775%0.745SS**  cis-160.6170.3-18.1-118-175.4000108.4
144Q31.2Very low33.6Very low140 Ų140143 Ų14365%0.65475%0.752SS**  trans30.9120.9152.3-82.3154.6-29.200121
145S30.1Very low34.1Very low110 Ų110145.3 Ų145.377%0.76976%0.763SS**  trans-68.4132.5130.353.70000111.4
146D35.1Very low34.7Very low131 Ų131145.5 Ų145.570%0.70177%0.766SS**  trans-139.1138.2146-84.4-18.1000103.5
147N33.8Very low34.5Very low125 Ų125147.5 Ų147.567%0.66877%0.766SS**  cis57.57115.2-119.3114.3000111.9
148E43.3Very low34.1Very low171 Ų171149.8 Ų149.880%0.79977%0.772SS**  48.9100.772.6-54.1-171.8-117.800111.9
149D34.7Very low34.3Very low162 Ų162149.9 Ų149.987%0.86678%0.778SS**  trans-172.9100.9144.1-96.4-24.1000107.4
150D33.2Very low34.5Very low163 Ų163150.8 Ų150.887%0.87278%0.784SS**  trans-148.187.3175-159.57.9000110.3C152D150-C152 PolarHBondContact O-N 2.83Å
151E36.3Very low34.7Very low184 Ų184152 Ų15286%0.8679%0.789SS**  trans-87.199.8176.8-78.7-160.5149.800111.8
152C32.8Very low35.2Very low109 Ų109156.7 Ų156.774%0.73680%0.8SS**  trans47.9110.3139.3-570000119.2D150D150-C152 PolarHBondContact O-N 2.83Å
153M33.1Very low35.3Very low186 Ų186151 Ų15192%0.91679%0.791SS**  trans-118.4131.9140.3-73.1-68.7154.900109.5
154D33.7Very low35Very low153 Ų153156.2 Ų156.282%0.81881%0.809SS**  trans-73139169.1-59-62.6000109.5
155E39.7Very low35Very low197 Ų197156 Ų15692%0.92181%0.812SS**  trans-174.2111.3137-104.3158.2179.800112.6
156E40.6Very low34.9Very low166 Ų166159 Ų15978%0.77681%0.812SS**  trans-77162152.6-79.1-172.7133.300109.5
157H34.8Very low34.6Very low175 Ų175158.5 Ų158.581%0.8181%0.809SS**  trans84.997.6173.8-44.9-52.2000117.2
158L33.7Very low34.6Very low152 Ų152160.2 Ų160.280%0.79682%0.817SS**  trans-159.734.3132.4-114.2174.1000115.9D160L158-D160 VanDerWaalsContact C-N 3.32Å; L158-D160 PolarHBondContact O-N 3.21Å; L158-D160 VanDerWaalsContact O-N 3.14Å
159D36.7Very low34Very low169 Ų169159.1 Ų159.190%0.90481%0.812SS**  trans-82.771.9165.4-73.4-51.5000111
160D36.5Very low33.8Very low159 Ų159158.9 Ų158.985%0.8581%0.806SS**  trans-174.757.1160.7-109.6-16.1000112.6L158L158-D160 VanDerWaalsContact C-N 3.32Å; L158-D160 PolarHBondContact O-N 3.21Å; L158-D160 VanDerWaalsContact O-N 3.14Å
161L33Very low33.7Very low151 Ų151156.3 Ų156.379%0.79180%0.801SS**  trans-147.184.9159.9-160.865.4000113.2G163L161-G163 PolarHBondContact O-N 2.93Å
162E41.8Very low33.3Very low198 Ų198154.9 Ų154.993%0.92580%0.799SS**  trans-67.3121.7165.8-177.4176.4-156.800110.4
163G33.6Very low33.1Very low55 Ų55159.1 Ų159.157%0.56781%0.808SS**  trans93.7103163.800000116.9L161L161-G163 PolarHBondContact O-N 2.93Å
164F27Very low32.8Very low225 Ų225158.4 Ų158.499%0.98780%0.802SS**  -148.7148.7121.2-119.1-79.4000110.2
165D31.6Very low32.7Very low134 Ų134160 Ų16072%0.71780%0.802SS**  trans-118.1132.3-171174.930.2000109.6
166F28.5Very low32.1Very low174 Ų174158.3 Ų158.376%0.76379%0.794SS**  trans-171.5136.6145-128.9-117.1000115.9
167D27.6Very low31.6Very low121 Ų121158 Ų15865%0.64780%0.797SS**  trans32.8101152-66.84.1000122.1
168L34.4Very low31.2Very low161 Ų161155.8 Ų155.884%0.84380%0.796SS**  -46.4131.7126.7170.481000112.3
169E31.6Very low31.5Very low147 Ų147153.5 Ų153.569%0.68779%0.79SS**  trans-174136.1132-94.5-127107.800113.9
170Q30.4Very low31Very low158 Ų158152.6 Ų152.674%0.73878%0.78SS**  trans58.7145.6152.3-57-178.828.600119.7
171S29.7Very low30.7Very low109 Ų109152.5 Ų152.576%0.76277%0.772SS**  cis-139.4159.810.253.60000112.2
172N27.6Very low30.4Very low153 Ų153150 Ų15082%0.81877%0.767SS**  trans-84.1149.8172.1-54.1-78.4000110.6
173Q29.2Very low29.7Very low199 Ų199148.7 Ų148.793%0.9377%0.766SS**  trans-154.8146.6130.7-118.3165.447.200112.5
174E27.7Very low29.5Very low170 Ų170154.1 Ų154.179%0.79478%0.776SS**  trans-91.8141.3178.7-53.1153.6128.300109
175K30.8Very low29.7Very low188 Ų188153.1 Ų153.182%0.81777%0.772SS**  176.8147115-97.4168.8-178.2-177.50116
176E27.7Very low29.6Very low161 Ų161153.7 Ų153.775%0.75278%0.775SS**  trans-18.4150.5149.8-78.3171.711000120.8
177L29Very low29.7Very low159 Ų159152.7 Ų152.783%0.83278%0.778SS**  trans75.4118.9147.6-65162.7000120.5
178T28.1Very low30Very low128 Ų128153 Ų15379%0.78578%0.784SS**  trans-93.1177.1150.455.10000108.6
179P39.8Very low29.8Very low105 Ų105153 Ų15368%0.68279%0.785SS**  cis-143.2174.211.545.3-27.3000118.3
180E26.5Very low29.8Very low149 Ų149151.4 Ų151.470%0.69679%0.79SS**  trans63.4159.2153.6-74.2-166.8151.400119.7
181K28.3Very low30Very low158 Ų158150.6 Ų150.669%0.68780%0.796SS**  cis-162.1165.2-2.7-117.3166.6178.4139.10107.5
182S27.2Very low30.3Very low98 Ų98151.6 Ų151.669%0.68580%0.797SS**  cis-176.6136.2-40.960.20000109.4
183L27.1Very low30.7Very low170 Ų170148.9 Ų148.989%0.8979%0.79SS**  trans-153.7154.2159.5-154.171.6000113
184E30.2Very low31.5Very low169 Ų169146.8 Ų146.879%0.7978%0.78SS**  trans-31.7122.9-172.2-62-179.4100.300118.9
185K30.3Very low32.5Very low205 Ų205141 Ų14189%0.89176%0.757SS**  -152.3130.8129.7-121.5167.7-172.8170.20111.5N187K185-N187 PolarHBondContact O-N 2.9Å
186N31.1Very low34.3Very low145 Ų145137.4 Ų137.478%0.77574%0.743SS**  trans-72.2124.8168.1-63.6-68.6000109
187N29.6Very low36.6Very low154 Ų154135.1 Ų135.182%0.82473%0.731SS**  -176.3136.4122.4-88.5-25.2000111.5K185K185-N187 PolarHBondContact O-N 2.9Å
188T34.5Very low38.8Very low126 Ų126132.6 Ų132.677%0.77371%0.714SS**  trans-17.4121.2164.552.60000117.6
189D30.5Very low40.9Very low163 Ų163130.6 Ų130.687%0.87270%0.701SS**  -144.4153.4115.8-126.1-32.4000110.6
190S31.1Very low42.5Very low113 Ų113132.2 Ų132.279%0.7970%0.697SS**  trans-100.6124.5-161.5-61.50000114.5
191T34.4Very low44.1Very low140 Ų140132.1 Ų132.186%0.85970%0.697SS**  trans-113.2153.6160.253.60000111.2S193T191-S193 PolarHBondContact O-N 3.43Å
192V36Very low45.7Very low131 Ų131127 Ų12779%0.79468%0.678SS**  trans-57.7127.2-160.5178.50000113.9Q194V192-Q194 PolarHBondContact O-N 3.25Å
193S36.1Very low47.3Very low95 Ų95134.7 Ų134.766%0.66469%0.693SS**  trans-69.794.2179170.80000112.8T191T191-S193 PolarHBondContact O-N 3.43Å
194Q45.2Very low49.3Very low156 Ų156129 Ų12973%0.72966%0.663SS**  trans-64.1144.4168.3-71-67.3-800112.1V192 E196V192-Q194 PolarHBondContact O-N 3.25Å; Q194-E196 PolarHBondContact O-N 3.05Å
195P49.3Very low50.9Low47 Ų47126 Ų12631%0.30566%0.658SS.*  trans-80.299.2178.131.6-31.6000111.2F197 R212P195-F197 WeakPolarHBondContact O-CD2 3.42Å; P195-F197 VanDerWaalsContact O-CE2 3.22Å; P195-F197 WeakPolarHBondContact O-CE2 3.42Å; P195-R212 HydrophobicContact CB-CG 4.31Å; P195-R212 VanDerWaalsContact CB-NE 3.33Å
196E68.2Low52.5Low114 Ų114126 Ų12653%0.53365%0.653SS.*  trans-70.9141.4176.7-169.3-162.9123.400112Q194 K213Q194-E196 PolarHBondContact O-N 3.05Å; E196-K213 VanDerWaalsContact CD-CE 3.49Å; E196-K213 PolarHBondContact O-N 3.31Å; E196-K213 WeakPolarHBondContact OE1-CE 3.44Å; E196-K213 IonicContact OE1-NZ 3.52Å; E196-K213 PolarHBondContact OE1-NZ 2.7Å; E196-K213 VanDerWaalsContact OE2-CE 3.29Å; E196-K213 WeakPolarHBondContact OE2-CE 3.46Å; E196-K213 IonicContact OE2-NZ 3.07Å; E196-K213 PolarHBondContact OE2-NZ 3.5Å
197F76.1Confident53.8Low112 Ų112124.2 Ų124.249%0.49164%0.642SS.*EExtended strand (participates in β ladder)trans-114.1150.2177.6-64.8-104.4000110.4P195 I210 G211 R212P195-F197 WeakPolarHBondContact O-CD2 3.42Å; P195-F197 VanDerWaalsContact O-CE2 3.22Å; P195-F197 WeakPolarHBondContact O-CE2 3.42Å; F197-I210 HydrophobicContact CB-CG2 4.03Å; F197-I210 HydrophobicContact CD1-CG2 3.97Å; F197-I210 HydrophobicContact CG-CG2 4.38Å; F197-G211 CarbonylContact C-O 3.55Å; F197-G211 VanDerWaalsContact CA-O 3.29Å; F197-G211 WeakPolarHBondContact CA-O 3.35Å; F197-R212 HydrophobicContact CD1-CB 3.76Å; F197-R212 HydrophobicContact CD1-CG 4.38Å; F197-R212 HydrophobicContact CE1-CB 3.61Å; F197-R212 HydrophobicContact CE1-CG 4.06Å; F197-R212 HydrophobicContact CZ-CB 4.26Å; F197-R212 HydrophobicContact CZ-CG 4.2Å
198F74.4Confident55.8Low107 Ų107121.7 Ų121.747%0.46963%0.628SS.*EExtended strand (participates in β ladder)trans-112140.4167.367.9-89000110.6K200 I210 G211F198-K200 HydrophobicContact CD2-CB 4.43Å; F198-K200 HydrophobicContact CE2-CB 4.4Å; F198-I210 WeakPolarHBondContact O-CA 3.44Å; F198-G211 VanDerWaalsContact CD1-O 3.22Å; F198-G211 WeakPolarHBondContact CD1-O 3.4Å; F198-G211 PolarHBondContact N-O 2.8Å; F198-G211 PolarHBondContact O-N 3.16Å
199V73.6Confident57.5Low85 Ų85120.6 Ų120.652%0.51562%0.617SS.*EExtended strand (participates in β ladder)trans-101.3115.8171.8-174.80000108.1L208 I210V199-L208 HydrophobicContact CG1-CB 4.04Å; V199-L208 HydrophobicContact CG1-CD1 4.25Å; V199-L208 HydrophobicContact CG1-CD2 4.14Å; V199-L208 HydrophobicContact CG1-CG 4.38Å; V199-I210 HydrophobicContact CG1-CG1 4.45Å; V199-I210 HydrophobicContact CG2-CD1 4.44Å; V199-I210 HydrophobicContact CG2-CG1 4.18Å; V199-I210 HydrophobicContact CG2-CG2 4.48Å
200K72.3Confident59.8Low140 Ų140118 Ų11861%0.60960%0.602SS**EExtended strand (participates in β ladder)trans-95.9101.6170.9-166.6170.5-173.3175.40109F198 T202 I209F198-K200 HydrophobicContact CD2-CB 4.43Å; F198-K200 HydrophobicContact CE2-CB 4.4Å; K200-T202 PolarHBondContact O-N 3.01Å; K200-I209 PolarHBondContact N-O 2.9Å; K200-I209 PolarHBondContact O-N 2.97Å
201Q60.4Low61.3Low146 Ų146113.4 Ų113.468%0.68257%0.572SS**EExtended strand (participates in β ladder)trans-62128.7170-167.117519.400109L208Q201-L208 HydrophobicContact CB-CD2 4.17Å; Q201-L208 HydrophobicContact CG-CD2 4.01Å
202T62.1Low62.9Low50 Ų50114.2 Ų114.231%0.30756%0.56SS.*  trans-93.2177.9173.675.30000110.2K200 D204 L207 I209K200-T202 PolarHBondContact O-N 3.01Å; T202-D204 PolarHBondContact O-N 3.01Å; T202-D204 PolarHBondContact OG1-N 3.12Å; T202-D204 PolarHBondContact OG1-O 3.16Å; T202-L207 WeakPolarHBondContact CG2-O 3.42Å; T202-L207 PolarHBondContact N-O 3.07Å; T202-L207 PolarHBondContact OG1-O 3.21Å; T202-I209 HydrophobicContact CG2-CD1 3.9Å; T202-I209 HydrophobicContact CG2-CG1 4.08Å
203R62Low64.4Low260 Ų260112.7 Ų112.798%0.98154%0.542SS*.SBendtrans-73.1-8.1176.5-77.9-177.5173.6161.2-3.2114.1
204D67.5Low64.6Low51 Ų51114.4 Ų114.427%0.27354%0.544SS..SBendtrans-100.3121.1164.6-170-39.7000108.5T202 R206 L207T202-D204 PolarHBondContact O-N 3.01Å; T202-D204 PolarHBondContact OG1-N 3.12Å; T202-D204 PolarHBondContact OG1-O 3.16Å; D204-R206 PolarHBondContact O-N 2.94Å; D204-R206 VanDerWaalsContact O-N 3.08Å; D204-R206 VanDerWaalsContact OD1-CB 3.3Å; D204-R206 WeakPolarHBondContact OD1-CB 3.46Å; D204-R206 IonicContact OD1-CZ 3.88Å; D204-R206 PolarHBondContact OD1-N 3.27Å; D204-R206 IonicContact OD1-NE 3.12Å; D204-R206 PolarHBondContact OD1-NE 3.37Å; D204-R206 VanDerWaalsContact OD1-NE 3.12Å; D204-R206 IonicContact OD1-NH2 3.72Å; D204-R206 IonicContact OD2-CZ 3.74Å; D204-R206 IonicContact OD2-NE 3.63Å; D204-R206 IonicContact OD2-NH2 2.96Å; D204-R206 PolarHBondContact OD2-NH2 2.87Å; D204-L207 PolarHBondContact O-N 2.84Å; D204-L207 VanDerWaalsContact O-N 3.09Å
205P63.4Low64.2Low106 Ų106112 Ų11269%0.68854%0.544SS*.THydrogen-bonded Turntrans-63.1-13.2-179.926.7-35.4000113.9
206R64Low63.6Low206 Ų206115.8 Ų115.878%0.77757%0.567SS**THydrogen-bonded Turntrans-88.6-1.9176.8-61.6168.2-66.7-1692.7113.7D204D204-R206 PolarHBondContact O-N 2.94Å; D204-R206 VanDerWaalsContact O-N 3.08Å; D204-R206 VanDerWaalsContact OD1-CB 3.3Å; D204-R206 WeakPolarHBondContact OD1-CB 3.46Å; D204-R206 IonicContact OD1-CZ 3.88Å; D204-R206 PolarHBondContact OD1-N 3.27Å; D204-R206 IonicContact OD1-NE 3.12Å; D204-R206 PolarHBondContact OD1-NE 3.37Å; D204-R206 VanDerWaalsContact OD1-NE 3.12Å; D204-R206 IonicContact OD1-NH2 3.72Å; D204-R206 IonicContact OD2-CZ 3.74Å; D204-R206 IonicContact OD2-NE 3.63Å; D204-R206 IonicContact OD2-NH2 2.96Å; D204-R206 PolarHBondContact OD2-NH2 2.87Å
207L58.5Low61.7Low106 Ų106116 Ų11656%0.55558%0.581SS**  trans-125.9101-178.4-66.7176.6000111.6T202 D204T202-L207 WeakPolarHBondContact CG2-O 3.42Å; T202-L207 PolarHBondContact N-O 3.07Å; T202-L207 PolarHBondContact OG1-O 3.21Å; D204-L207 PolarHBondContact O-N 2.84Å; D204-L207 VanDerWaalsContact O-N 3.09Å
208L71.8Confident59.5Low101 Ų101116.1 Ų116.153%0.52960%0.596SS.*EExtended strand (participates in β ladder)trans-102.9128.3171.6-60.6-179.3000110V199 Q201V199-L208 HydrophobicContact CG1-CB 4.04Å; V199-L208 HydrophobicContact CG1-CD1 4.25Å; V199-L208 HydrophobicContact CG1-CD2 4.14Å; V199-L208 HydrophobicContact CG1-CG 4.38Å; Q201-L208 HydrophobicContact CB-CD2 4.17Å; Q201-L208 HydrophobicContact CG-CD2 4.01Å
209I70.1Confident57.3Low103 Ų103119.7 Ų119.753%0.52861%0.611SS.*EExtended strand (participates in β ladder)trans-101.9115174.7-59.2175.8000108.2K200 T202K200-I209 PolarHBondContact N-O 2.9Å; K200-I209 PolarHBondContact O-N 2.97Å; T202-I209 HydrophobicContact CG2-CD1 3.9Å; T202-I209 HydrophobicContact CG2-CG1 4.08Å
210I78.5Confident55.2Low108 Ų108120.1 Ų120.155%0.55462%0.624SS**EExtended strand (participates in β ladder)trans-102.2123.5179.6-49-174.2000109.3F197 F198 V199F197-I210 HydrophobicContact CB-CG2 4.03Å; F197-I210 HydrophobicContact CD1-CG2 3.97Å; F197-I210 HydrophobicContact CG-CG2 4.38Å; F198-I210 WeakPolarHBondContact O-CA 3.44Å; V199-I210 HydrophobicContact CG1-CG1 4.45Å; V199-I210 HydrophobicContact CG2-CD1 4.44Å; V199-I210 HydrophobicContact CG2-CG1 4.18Å; V199-I210 HydrophobicContact CG2-CG2 4.48Å
211G63.4Low53.2Low17 Ų17121.4 Ų121.418%0.17563%0.632CS.*EExtended strand (participates in β ladder)trans-121.9130.5-179.700000112.4F197 F198F197-G211 CarbonylContact C-O 3.55Å; F197-G211 VanDerWaalsContact CA-O 3.29Å; F197-G211 WeakPolarHBondContact CA-O 3.35Å; F198-G211 VanDerWaalsContact CD1-O 3.22Å; F198-G211 WeakPolarHBondContact CD1-O 3.4Å; F198-G211 PolarHBondContact N-O 2.8Å; F198-G211 PolarHBondContact O-N 3.16Å
212R68.9Low51.8Low157 Ų157118.9 Ų118.959%0.59263%0.631SS**EExtended strand (participates in β ladder)trans-78.6129.2169.6-172.3173.5172.7164.11109.1P195 F197P195-R212 HydrophobicContact CB-CG 4.31Å; P195-R212 VanDerWaalsContact CB-NE 3.33Å; F197-R212 HydrophobicContact CD1-CB 3.76Å; F197-R212 HydrophobicContact CD1-CG 4.38Å; F197-R212 HydrophobicContact CE1-CB 3.61Å; F197-R212 HydrophobicContact CE1-CG 4.06Å; F197-R212 HydrophobicContact CZ-CB 4.26Å; F197-R212 HydrophobicContact CZ-CG 4.2Å
213K66.9Low50.3Low99 Ų99126 Ų12643%0.4366%0.657SS.*PPolyproline II helixtrans-88.6137173.775.4-171.6-173-167.90110.7E196E196-K213 VanDerWaalsContact CD-CE 3.49Å; E196-K213 PolarHBondContact O-N 3.31Å; E196-K213 WeakPolarHBondContact OE1-CE 3.44Å; E196-K213 IonicContact OE1-NZ 3.52Å; E196-K213 PolarHBondContact OE1-NZ 2.7Å; E196-K213 VanDerWaalsContact OE2-CE 3.29Å; E196-K213 WeakPolarHBondContact OE2-CE 3.46Å; E196-K213 IonicContact OE2-NZ 3.07Å; E196-K213 PolarHBondContact OE2-NZ 3.5Å
214N40.9Very low48.8Very low132 Ų132118.3 Ų118.371%0.70665%0.649SS**PPolyproline II helixtrans-94.1122.1176.2-72.6-10.6000109.6T216N214-T216 PolarHBondContact O-N 3.01Å
215S36.5Very low47Very low104 Ų104120.9 Ų120.973%0.72767%0.671SS**  trans-72.192.3-179.5-55.70000111.9
216T36.3Very low45.4Very low128 Ų128125.2 Ų125.279%0.78568%0.679SS**  trans-107.9133.2164.148.80000110.4N214N214-T216 PolarHBondContact O-N 3.01Å
217S29.2Very low43.7Very low118 Ų118119.9 Ų119.983%0.82567%0.673SS**  trans-56.7141.6-170.952.60000114.3F219S217-F219 PolarHBondContact O-N 3.24Å
218S28.6Very low42.3Very low115 Ų115122 Ų12280%0.80468%0.684SS**  trans-60.3126.417243.30000112.3
219F27.9Very low40.2Very low181 Ų181122.8 Ų122.879%0.79470%0.698SS**  trans-100.6109.5153.7-172.1-91.7000107.4S217 E221S217-F219 PolarHBondContact O-N 3.24Å; F219-E221 HydrophobicContact CE1-CB 3.87Å
220A30.8Very low38.2Very low94 Ų94121.2 Ų121.278%0.77771%0.706SS**  trans-113112.6-17900000109.6
221E29Very low36.1Very low168 Ų168122.7 Ų122.779%0.78572%0.715SS**  trans-130.3154.2169.9-165.3155.7-146.500109.4F219F219-E221 HydrophobicContact CE1-CB 3.87Å
222S31.6Very low34.9Very low93 Ų93127.2 Ų127.265%0.6574%0.742SS**  -134.8157.4-127.679.40000117.4
223K31.4Very low33.2Very low200 Ų200126.1 Ų126.187%0.8775%0.747SS**  trans71.3105.8156.6-62.4170.6-179175.60118.6
224A29.6Very low31.5Very low97 Ų97129 Ų12980%0.80276%0.762SS**  166140.3125.300000109.1
225S29.8Very low30.9Very low105 Ų105129 Ų12973%0.73477%0.767SS**  cis171.1134.4-2444.80000106.2
226K30.1Very low30.6Very low198 Ų198127.8 Ų127.886%0.86176%0.763SS**  trans68.9119164.9-76.5-172.9172.7-177.50120.9
227S27.5Very low30.3Very low94 Ų94129.3 Ų129.366%0.65776%0.763SS**  77.2116.9122.370.80000123.7
228I28.6Very low30.4Very low151 Ų151131.2 Ų131.277%0.77476%0.759SS**  76.3116.4122.9-63.9170.4000119.2
229S28.5Very low30.5Very low117 Ų117133.4 Ų133.482%0.81876%0.762SS**  trans57.7149.6150.474.30000121.1
230G27.7Very low30.7Very low69 Ų69129.9 Ų129.971%0.71176%0.76SS**  trans112.710915200000114.8
231D35.1Very low30.7Very low139 Ų139128.6 Ų128.674%0.74376%0.756SS**  trans-62145.5144.2-178.946.3000108.3
232P37.7Very low30.7Very low112 Ų112128.4 Ų128.473%0.72776%0.76SS**  -145156.9110.539.1-26.1000115.8
233L33.3Very low30.9Very low135 Ų135131.8 Ų131.871%0.70777%0.765SS**  trans-67.6166.5155.8-99.784.8000113.1
234E30.9Very low31.1Very low160 Ų160133 Ų13375%0.74877%0.766SS**  trans64.3125.3152.3-79.4-168.2146.800121.2
235T29.4Very low31.2Very low131 Ų131131.9 Ų131.980%0.80476%0.764SS**  trans63.4156.5145.462.10000118.7
236A29.6Very low31.1Very low78 Ų78137.3 Ų137.365%0.64577%0.768SS**  cis-172.8176.8-27.800000105.6
237M30Very low31.1Very low161 Ų161134.3 Ų134.379%0.79376%0.761SS**  trans68.4149.4167.8-61.4172127.400115.4
238E32.3Very low31.3Very low157 Ų157133.3 Ų133.373%0.73477%0.766SS**  cis-162.1-175.3-23.3-121.2159.3-154.900108.9
239D30.1Very low31.4Very low161 Ų161133.4 Ų133.486%0.86176%0.763SS**  trans72.7144.7161.5-14255.9000117.6
240S32.2Very low31.6Very low108 Ų108135.4 Ų135.476%0.75576%0.757SS**  cis-171.5156.8-33177.20000107.6
241G29.5Very low31.7Very low67 Ų67143.3 Ų143.369%0.69177%0.766SS**  cis-136.7-127.4-4.500000109.4
242D29.7Very low31.5Very low163 Ų163142 Ų14287%0.87276%0.762SS**  cis-147.1170.2-12.363.9-27.9000111.3
243E36.8Very low31.2Very low164 Ų164143.1 Ų143.177%0.76677%0.767SS**  trans-81.6162.9-174.6-78.4-174.899.300113
244Y35.7Very low30.9Very low227 Ų227140 Ų14089%0.8977%0.769SS**  cis-137.4147.737.9-66.3-106.8000109.9
245G29.7Very low30.8Very low72 Ų72137.6 Ų137.674%0.74277%0.769SS**  117.8142.95800000107.7
246R28.1Very low30.9Very low219 Ų219137.9 Ų137.983%0.82677%0.766SS**  cis-161.3143.124.7173.4176.3-176.2160.211.9111.4
247D30.2Very low31Very low135 Ų135139.6 Ų139.672%0.72277%0.768SS**  trans40.3134.5160.6-45.7-18.3000119.9
248G32.4Very low31.1Very low74 Ų74138 Ų13876%0.76377%0.767SS**  cis166.4155.70.500000108.4
249E30.6Very low31Very low153 Ų153135.7 Ų135.772%0.71577%0.769SS**  cis-147.9160.98.7-55-16886.200113.2
250K33.4Very low31.4Very low158 Ų158134 Ų13469%0.68777%0.767SS**  trans53.9115.8148.4-67.4153.2-174.7158.50119.7
251R29.4Very low31.4Very low235 Ų235135 Ų13589%0.88777%0.769SS**  77.3139.866.2-79.6-166.3-175-145.94.6114.2
252V31.4Very low31.6Very low111 Ų111143.4 Ų143.467%0.67378%0.78SS**  cis-167153.6-13.587.10000111.1
253T30.1Very low31.8Very low136 Ų136147.4 Ų147.483%0.83478%0.782SS**  trans55.7158168.754.40000119
254G28.2Very low31.8Very low71 Ų71145.3 Ų145.373%0.73278%0.783SS**  cis-177.5170.3-2.200000110.9
255S28.9Very low31.7Very low109 Ų109146.3 Ų146.376%0.76279%0.785SS**  trans-46.5162.7-176.9-121.40000115.7
256D30.5Very low31.9Very low137 Ų137154.4 Ų154.473%0.73379%0.793SS**  cis-166.4-176.341.5-138.8-12.3000118.3
257T32.5Very low31.9Very low114 Ų114148.3 Ų148.370%0.69979%0.79SS**  trans85.890.9166.264.40000120
258T32.5Very low31.8Very low126 Ų126146.9 Ų146.977%0.77380%0.796SS**  46.2139.2127.260.10000122.4
259S28.3Very low31.9Very low110 Ų110155.1 Ų155.177%0.76980%0.804SS**  cis-162.5148.1-15.5-105.10000109.3
260P39.4Very low32Very low125 Ų125152.8 Ų152.881%0.81281%0.811SS**  trans-109.6162.4-147.339.1-34.1000118
261T31.1Very low31.9Very low129 Ų129150.3 Ų150.379%0.79181%0.814SS**  trans-60.8151.3179.3-290000115.4
262R35.4Very low32.2Very low244 Ų244146.4 Ų146.492%0.92181%0.809SS**  trans-21.8133.7163.7-59.4174.4174-172.1-3.4116
263R33.8Very low32Very low247 Ų247146.2 Ų146.293%0.93281%0.812SS**  trans-116.3163165.4-97.2-166.3167.6-177-1.7113.4
264P35.9Very low32.2Very low119 Ų119150 Ų15077%0.77382%0.818SS**  trans-107.1175-152.841.1-38000116.2
265R34.7Very low32.5Very low248 Ų248151.4 Ų151.494%0.93682%0.822SS**  trans-84125.9168.9-68.6174.3165.2130.9-5.3112.2
266R33.4Very low32.9Very low243 Ų243150.3 Ų150.392%0.91783%0.828SS**  -171.6124.7124.4-119.8-170.5174.6-168.10.4116.6
267A28Very low33.3Very low91 Ų91151.8 Ų151.875%0.75283%0.834SS**  trans35.2125.7133.600000122.8
268A28.5Very low33.7Very low104 Ų104156.9 Ų156.986%0.8684%0.841SS**  trans-126.5163.8131.800000109.2
269R34Very low34Very low248 Ų248157.7 Ų157.794%0.93684%0.841SS**  trans-136124.2179.4-103.1-170.6172.4-158.7-1.8111.7
270A31.5Very low34.7Very low104 Ų104159.9 Ų159.986%0.8684%0.843SS**  trans26.6126.3148.700000121.2
271S32.1Very low34.8Very low106 Ų106159.7 Ų159.774%0.74184%0.841SS**  trans-160.4127.1147.955.10000114
272I35Very low35.2Very low152 Ų152161 Ų16178%0.77984%0.842SS**  trans70.296.2147.2-52.6160.9000119.1
273S29Very low35.6Very low107 Ų107157.8 Ų157.875%0.74884%0.837SS**  8.6128129.3-40.50000121.1
274F33Very low36.1Very low217 Ų217155.5 Ų155.595%0.95283%0.834SS**  trans-153.388.2147-119.1-76.4000112.1
275A35Very low36.3Very low100 Ų100155.8 Ų155.883%0.82684%0.836SS**  trans-162.6107.9164.600000108.3
276G37.9Very low36.5Very low86 Ų86147.3 Ų147.389%0.88783%0.826SS**  trans-90.4117.6-173.300000113
277I39Very low37.1Very low167 Ų167145.1 Ų145.186%0.85683%0.826SS**  trans-126.5134.6163.5-59180000107.2
278R41.2Very low37.9Very low221 Ų221145.2 Ų145.283%0.83483%0.827SS**  trans-85.5147.1-174.2-68-165.7-175.2-163.54.3113.2
279D38.8Very low39.2Very low144 Ų144149.2 Ų149.277%0.7783%0.827SS**  trans14.7107.9146.5-50.2-50.6000118.5
280L42.9Very low40.1Very low156 Ų156147.6 Ų147.682%0.81782%0.822SS**  trans-129.2128.8148-74.3177.9000109.3I282L280-I282 PolarHBondContact O-N 3.2Å
281P40.7Very low41.5Very low120 Ų120147.5 Ų147.578%0.77981%0.805SS**  trans-82.483.6-173.533-35.4000111.6Q283P281-Q283 PolarHBondContact O-N 3.27Å
282I39.8Very low43.5Very low158 Ų158146.1 Ų146.181%0.8179%0.792SS**  trans-65.2108.1171.6-58.1179.2000108.9L280L280-I282 PolarHBondContact O-N 3.2Å
283Q42.5Very low45Very low176 Ų176149.2 Ų149.282%0.82279%0.793SS**PPolyproline II helixtrans-63.5135.7175.4-63.7-17121.700110.1P281 P285P281-Q283 PolarHBondContact O-N 3.27Å; Q283-P285 WeakPolarHBondContact O-CD 3.49Å
284K44.8Very low46.6Very low198 Ų198149.6 Ų149.686%0.86179%0.787SS**PPolyproline II helixtrans-72.3122.1173.5-63.8177.7-177.4175.90108.8G286K284-G286 PolarHBondContact O-N 3.18Å
285P41.6Very low48.5Very low125 Ų125143.4 Ų143.481%0.81276%0.761SS**PPolyproline II helixtrans-59.2133.8166.925.6-32.6000108.9Q283Q283-P285 WeakPolarHBondContact O-CD 3.49Å
286G38.7Very low50.2Low70 Ų70144.2 Ų144.272%0.72274%0.742SS**PPolyproline II helixtrans-61.7146.1-171.600000112.9K284 A288K284-G286 PolarHBondContact O-N 3.18Å; G286-A288 PolarHBondContact O-N 3.49Å
287Q44.6Very low51.6Low198 Ų198148.6 Ų148.693%0.92573%0.732SS**  trans-6694.1173.2-78.6-171.1-27.900110.7Q289Q287-Q289 PolarHBondContact O-N 2.93Å; Q287-Q289 VanDerWaalsContact O-N 3.07Å
288A46.4Very low52.8Low92 Ų92147.2 Ų147.276%0.7672%0.72SS**  trans-60.3110.7162.200000108.5G286 R290G286-A288 PolarHBondContact O-N 3.49Å; A288-R290 PolarHBondContact O-N 2.83Å
289Q54.8Low53.9Low188 Ų188140 Ų14088%0.87970%0.703SS**  trans-68.289.8-173.7-169.9178.211.200110.6Q287 M291Q287-Q289 PolarHBondContact O-N 2.93Å; Q287-Q289 VanDerWaalsContact O-N 3.07Å; Q289-M291 PolarHBondContact O-N 3.42Å
290R52.7Low54.7Low215 Ų215139.6 Ų139.681%0.81170%0.699SS**  trans-61.9100.8-169.7-164.5-179.5-167.6-142.56.9111.4A288 T292A288-R290 PolarHBondContact O-N 2.83Å; R290-T292 PolarHBondContact O-N 3.07Å
291M62.1Low55.3Low102 Ų102135.9 Ų135.950%0.50269%0.686SS.*  trans-46.4128.6-176.6-75.4-75.1-9800112.7Q289 Q295 R296Q289-M291 PolarHBondContact O-N 3.42Å; M291-Q295 HydrophobicContact CE-CB 3.92Å; M291-Q295 HydrophobicContact CE-CG 4.33Å; M291-Q295 HydrophobicContact SD-CB 4.21Å; M291-Q295 VanDerWaalsContact SD-CD 3.58Å; M291-Q295 HydrophobicContact SD-CG 4.4Å; M291-Q295 PolarHBondContact SD-NE2 2.88Å; M291-Q295 VanDerWaalsContact SD-NE2 3.45Å; M291-R296 HydrophobicContact CB-CG 4.39Å; M291-R296 PolarHBondContact O-NE 3.25Å; M291-R296 PolarHBondContact O-NH2 3.07Å
292T73.6Confident55.8Low77 Ų77135.6 Ų135.647%0.47268%0.677SS.*  trans-64.9155.6-173.563.70000112.1R290 L294 Q295 R296R290-T292 PolarHBondContact O-N 3.07Å; T292-L294 PolarHBondContact O-N 3.14Å; T292-L294 VanDerWaalsContact O-N 3.1Å; T292-Q295 VanDerWaalsContact N-OE1 3.11Å; T292-Q295 PolarHBondContact O-N 3.34Å; T292-Q295 PolarHBondContact OG1-N 2.92Å; T292-Q295 PolarHBondContact OG1-OE1 3.41Å; T292-R296 PolarHBondContact O-N 3.49Å; T292-R296 VanDerWaalsContact O-N 3.1Å
293R66.8Low56.3Low216 Ų216131.3 Ų131.382%0.81567%0.665SS**Hα-helixtrans-53.9-33.1178.9-167.1-179.8-176.4-154.23.8112.4R297R293-R297 WeakPolarHBondContact O-CG 3.15Å; R293-R297 PolarHBondContact O-N 3.17Å
294L62.3Low56.7Low116 Ų116125.7 Ų125.761%0.60765%0.649SS**Hα-helixtrans-72.9-40.3176.9-175.960.2000112.9T292 R297 K298T292-L294 PolarHBondContact O-N 3.14Å; T292-L294 VanDerWaalsContact O-N 3.1Å; L294-R297 PolarHBondContact O-N 3.03Å; L294-K298 WeakPolarHBondContact O-CG 3.26Å; L294-K298 PolarHBondContact O-N 3.45Å; L294-K298 VanDerWaalsContact O-N 3.11Å
295Q72.2Confident56.9Low86 Ų86121.1 Ų121.140%0.40264%0.637SS.*Hα-helixtrans-63.6-42.6175.4-77.9162.9-58.300111.6M291 T292 R297 K298 S299M291-Q295 HydrophobicContact CE-CB 3.92Å; M291-Q295 HydrophobicContact CE-CG 4.33Å; M291-Q295 HydrophobicContact SD-CB 4.21Å; M291-Q295 VanDerWaalsContact SD-CD 3.58Å; M291-Q295 HydrophobicContact SD-CG 4.4Å; M291-Q295 PolarHBondContact SD-NE2 2.88Å; M291-Q295 VanDerWaalsContact SD-NE2 3.45Å; T292-Q295 VanDerWaalsContact N-OE1 3.11Å; T292-Q295 PolarHBondContact O-N 3.34Å; T292-Q295 PolarHBondContact OG1-N 2.92Å; T292-Q295 PolarHBondContact OG1-OE1 3.41Å; Q295-R297 PolarHBondContact O-N 3.4Å; Q295-K298 PolarHBondContact O-N 3.18Å; Q295-K298 VanDerWaalsContact O-N 3.14Å; Q295-S299 PolarHBondContact O-N 3.31Å; Q295-S299 PolarHBondContact O-OG 2.93Å
296R71.7Confident57.1Low117 Ų117121.6 Ų121.644%0.44263%0.628SS.*Hα-helixtrans-62.2-42.5177.5-59.6-172.4-151.2-173.25.7112.7M291 T292 K298 S299 M300M291-R296 HydrophobicContact CB-CG 4.39Å; M291-R296 PolarHBondContact O-NE 3.25Å; M291-R296 PolarHBondContact O-NH2 3.07Å; T292-R296 PolarHBondContact O-N 3.49Å; T292-R296 VanDerWaalsContact O-N 3.1Å; R296-K298 VanDerWaalsContact C-N 3.29Å; R296-K298 PolarHBondContact O-N 2.73Å; R296-S299 PolarHBondContact O-N 3.05Å; R296-S299 PolarHBondContact O-OG 3.01Å; R296-M300 WeakPolarHBondContact O-CG 3.39Å; R296-M300 PolarHBondContact O-N 3.14Å
297R67Low57.3Low178 Ų178122.5 Ų122.567%0.67262%0.624SS**Hα-helixtrans-62.8-36174.5-68.9-175.686.5177.58111.9R293 L294 Q295 S301R293-R297 WeakPolarHBondContact O-CG 3.15Å; R293-R297 PolarHBondContact O-N 3.17Å; L294-R297 PolarHBondContact O-N 3.03Å; Q295-R297 PolarHBondContact O-N 3.4Å; R297-S301 VanDerWaalsContact O-CB 3.32Å; R297-S301 WeakPolarHBondContact O-CB 3.24Å; R297-S301 PolarHBondContact O-N 2.97Å; R297-S301 VanDerWaalsContact O-N 3.13Å
298K64Low57.5Low138 Ų138119.5 Ų119.560%0.662%0.619SS**Hα-helixtrans-69.9-39.5175.7-74.9-173.9175.2-172.20113.2L294 Q295 R296 S301 L302L294-K298 WeakPolarHBondContact O-CG 3.26Å; L294-K298 PolarHBondContact O-N 3.45Å; L294-K298 VanDerWaalsContact O-N 3.11Å; Q295-K298 PolarHBondContact O-N 3.18Å; Q295-K298 VanDerWaalsContact O-N 3.14Å; R296-K298 VanDerWaalsContact C-N 3.29Å; R296-K298 PolarHBondContact O-N 2.73Å; K298-S301 PolarHBondContact O-N 3.47Å; K298-L302 PolarHBondContact O-N 2.9Å
299S63.7Low57.4Low70 Ų70125.9 Ų125.949%0.4962%0.623SS.*Hα-helixtrans-68.5-43.2177.456.60000112.3Q295 R296 S301 L302 A303Q295-S299 PolarHBondContact O-N 3.31Å; Q295-S299 PolarHBondContact O-OG 2.93Å; R296-S299 PolarHBondContact O-N 3.05Å; R296-S299 PolarHBondContact O-OG 3.01Å; S299-S301 VanDerWaalsContact C-N 3.31Å; S299-S301 PolarHBondContact O-N 3.42Å; S299-L302 PolarHBondContact O-N 3.43Å; S299-A303 PolarHBondContact O-N 3.04Å
300M56.9Low56.8Low136 Ų136121.6 Ų121.667%0.6761%0.614SS**Hα-helixtrans-60.2-40.2173.9-68.8173.972.600112.2R296 L302 A303 A304R296-M300 WeakPolarHBondContact O-CG 3.39Å; R296-M300 PolarHBondContact O-N 3.14Å; M300-L302 PolarHBondContact O-N 2.84Å; M300-A303 PolarHBondContact O-N 3.43Å; M300-A304 PolarHBondContact O-N 2.87Å; M300-A304 VanDerWaalsContact O-N 3.16Å
301S55.2Low56.1Low78 Ų78116.9 Ų116.955%0.54561%0.614SS.*Hα-helixtrans-65.3-18.2179.9-171.30000114.3R297 K298 S299 V305R297-S301 VanDerWaalsContact O-CB 3.32Å; R297-S301 WeakPolarHBondContact O-CB 3.24Å; R297-S301 PolarHBondContact O-N 2.97Å; R297-S301 VanDerWaalsContact O-N 3.13Å; K298-S301 PolarHBondContact O-N 3.47Å; S299-S301 VanDerWaalsContact C-N 3.31Å; S299-S301 PolarHBondContact O-N 3.42Å; S301-V305 WeakPolarHBondContact O-CG2 3.25Å
302L50Low55.3Low114 Ų114118.2 Ų118.260%0.59763%0.628SS**Hα-helixtrans-86.2-44173-75.7166.6000111.3K298 S299 M300 A304 V305 H306K298-L302 PolarHBondContact O-N 2.9Å; S299-L302 PolarHBondContact O-N 3.43Å; M300-L302 PolarHBondContact O-N 2.84Å; L302-A304 VanDerWaalsContact C-N 3.31Å; L302-A304 PolarHBondContact O-N 3.41Å; L302-V305 PolarHBondContact O-N 3.03Å; L302-V305 VanDerWaalsContact O-N 3.14Å; L302-H306 PolarHBondContact O-CD2 3.02Å; L302-H306 VanDerWaalsContact O-CD2 3.32Å; L302-H306 PolarHBondContact O-N 3.02Å
303A50.1Low53.3Low67 Ų67119.7 Ų119.755%0.55464%0.641SS**Hα-helixtrans-56.7-44.3177.900000112.2S299 M300 V305 H306 S307S299-A303 PolarHBondContact O-N 3.04Å; M300-A303 PolarHBondContact O-N 3.43Å; A303-V305 VanDerWaalsContact C-N 3.3Å; A303-V305 PolarHBondContact O-N 2.69Å; A303-H306 PolarHBondContact O-N 3.44Å; A303-S307 PolarHBondContact O-N 2.79Å
304A50.9Low52.4Low59 Ų59115.3 Ų115.349%0.48864%0.641SS.*Hα-helixtrans-58.5-37.3177.700000113.3M300 L302 H306 S307M300-A304 PolarHBondContact O-N 2.87Å; M300-A304 VanDerWaalsContact O-N 3.16Å; L302-A304 VanDerWaalsContact C-N 3.31Å; L302-A304 PolarHBondContact O-N 3.41Å; A304-H306 VanDerWaalsContact C-N 3.35Å; A304-S307 PolarHBondContact O-N 2.75Å
305V50Low51.1Low101 Ų101115.7 Ų115.761%0.61265%0.648SS**Hα-helixtrans-74.7-24.9-178.6175.10000112.3S301 L302 A303S301-V305 WeakPolarHBondContact O-CG2 3.25Å; L302-V305 PolarHBondContact O-N 3.03Å; L302-V305 VanDerWaalsContact O-N 3.14Å; A303-V305 VanDerWaalsContact C-N 3.3Å; A303-V305 PolarHBondContact O-N 2.69Å
306H45.8Very low49.6Very low135 Ų135121.1 Ų121.163%0.62567%0.67SS**Hα-helixtrans-82.4-26.9175.5-75.8-74.8000113.5L302 A303 A304L302-H306 PolarHBondContact O-CD2 3.02Å; L302-H306 VanDerWaalsContact O-CD2 3.32Å; L302-H306 PolarHBondContact O-N 3.02Å; A303-H306 PolarHBondContact O-N 3.44Å; A304-H306 VanDerWaalsContact C-N 3.35Å
307S42.6Very low48.4Very low90 Ų90123.5 Ų123.563%0.62969%0.688SS**Hα-helixtrans-63.3-43.5177178.20000112.9A303 A304 R309 S310A303-S307 PolarHBondContact O-N 2.79Å; A304-S307 PolarHBondContact O-N 2.75Å; S307-R309 PolarHBondContact O-N 2.82Å; S307-S310 PolarHBondContact O-N 2.77Å
308V48.3Very low47Very low135 Ų135121 Ų12182%0.81869%0.693SS**THydrogen-bonded Turntrans-68.65.1-175.9-164.60000113.6
309R45.3Very low46Very low225 Ų225120.6 Ų120.685%0.84970%0.704SS**THydrogen-bonded Turntrans-117.74.8-178.4-129.4176-171.6176.92.5115.4S307S307-R309 PolarHBondContact O-N 2.82Å
310S41.7Very low44.8Very low99 Ų99123.5 Ų123.569%0.69272%0.719SS**  trans-112.628.2-171.1-57.20000114.4S307S307-S310 PolarHBondContact O-N 2.77Å
311S37.2Very low44.1Very low115 Ų115123 Ų12380%0.80473%0.725SS**  trans-108.499.2174.1172.80000110.7
312T46.3Very low43.1Very low131 Ų131130.7 Ų130.780%0.80474%0.743SS**  trans-141.590.3-179.755.40000113.9
313S31.2Very low42.4Very low108 Ų108130.6 Ų130.676%0.75575%0.751SS**  trans-157.2118.7145.8-168.60000110.6
314P47.6Very low41.8Very low123 Ų123135.3 Ų135.380%0.79976%0.762SS**  trans-96.5105.5-177.434.2-30.5000112.5
315V36.1Very low41.2Very low125 Ų125138 Ų13876%0.75878%0.775SS**  trans-74.9127.1167.3179.50000109.6M317V315-M317 PolarHBondContact O-N 3.43Å
316K39.2Very low40.5Very low200 Ų200141 Ų14187%0.8779%0.785SS**  trans-76.6117172.8-78.1-178.6175.5177.40110.3
317M47.2Very low39.8Very low166 Ų166141 Ų14182%0.81879%0.79SS**  trans-109.8131160.8-65-58-72.200109.7V315V315-M317 PolarHBondContact O-N 3.43Å
318T37.6Very low39.5Very low125 Ų125145.6 Ų145.677%0.76780%0.799SS**PPolyproline II helixtrans-79.3139.4177.442.50000111.4V320T318-V320 PolarHBondContact O-N 3.22Å
319P42.7Very low39.2Very low130 Ų130144.8 Ų144.884%0.84480%0.796SS**PPolyproline II helixtrans-68.8126.3179.8-17.230.9000112.5
320V38.7Very low38.7Very low132 Ų132140.3 Ų140.380%0.880%0.796SS**PPolyproline II helixtrans-79.2134.6166.7178.40000108.6T318T318-V320 PolarHBondContact O-N 3.22Å
321P41.9Very low38.3Very low124 Ų124142 Ų14281%0.80581%0.808SS**PPolyproline II helixtrans-71.4133.5-172.127.1-34.9000113.1
322R34.8Very low38.3Very low241 Ų241139.6 Ų139.691%0.90980%0.802SS**PPolyproline II helixtrans-90.6120.5174.7-175.9176.9-175.5159.32.6110
323S36Very low38Very low111 Ų111139.4 Ų139.478%0.77680%0.802SS**PPolyproline II helixtrans-68.9143.1176.944.80000112.3
324Q36.5Very low38.1Very low167 Ų167140.9 Ų140.978%0.7881%0.807SS**PPolyproline II helixtrans-99.6145.2173.2-73.2-75.71.800110.1
325P39.3Very low37.6Very low116 Ų116143.6 Ų143.675%0.75381%0.809SS**PPolyproline II helixtrans-85.9127.5174.633.2-31.3000111.3
326I33.6Very low37.6Very low162 Ų162145.4 Ų145.483%0.83181%0.812SS**  trans-131146.3170.1-70.4-174.7000110.2
327N31.2Very low37.3Very low135 Ų135142 Ų14272%0.72281%0.808SS**  trans-80.1151.9-175.3-75.9-85.3000113.5
328K36.3Very low36.9Very low188 Ų188143.3 Ų143.382%0.81781%0.81SS**  trans-0158.3146.7-41174.9-176177.70118.5
329P42Very low36.4Very low118 Ų118145.8 Ų145.877%0.76682%0.816SS**  -137.9177.8-50.240.2-24.9000111.8
330P36.3Very low36Very low131 Ų131143.9 Ų143.985%0.85181%0.806SS**  trans-124.5145.6155.535.9-25.4000114.6
331S33.3Very low35.6Very low133 Ų133145.9 Ų145.993%0.9381%0.806SS**  trans-51.3142.5173.6-178.40000115.2
332G35.5Very low35.3Very low66 Ų66149 Ų14968%0.6880%0.802SS**  trans160128.1168.400000113
333P40.6Very low35.4Very low126 Ų126145.2 Ų145.282%0.81880%0.8SS**  trans-96.7136.5-168.235.3-33.7000115
334V34.5Very low35.8Very low140 Ų140145.5 Ų145.585%0.84879%0.793SS**  trans-134.9129.1154.8-179.60000108
335Q35.7Very low36.5Very low179 Ų179144.8 Ų144.884%0.83679%0.793SS**  trans-100.2125.1175.9-64.6178.3-0.100110.2
336I36.3Very low36.8Very low163 Ų163148 Ų14884%0.83680%0.795SS**  trans-137.3127.5153.7-61.2-175.6000107.6
337T32.7Very low37.3Very low128 Ų128145.9 Ų145.979%0.78579%0.792SS**  trans-91.6151.1177.8-53.80000110.5
338K38.8Very low37.5Very low194 Ų194150.8 Ų150.884%0.84380%0.8SS**  trans-56.3152-178.5-49.9170-175175.40113.1
339I28.7Very low37.4Very low177 Ų177148.1 Ų148.191%0.90880%0.802SS**  trans-152.4158.4130.9-100.8147.3000108.1
340S32.2Very low36.9Very low90 Ų90147.2 Ų147.263%0.62981%0.805SS**  trans-119.5150.7-176.3170.80000109.6
341H31.8Very low36.8Very low174 Ų174147.6 Ų147.681%0.80680%0.804SS**  trans-155.8144.8137.3-89.324.4000104.8
342R35.2Very low36.9Very low190 Ų190146.4 Ų146.472%0.71779%0.793SS**  cis66.678.226.6-84.6-78-173.3169.21.4114D344R342-D344 IonicContact CZ-OD2 3.41Å; R342-D344 IonicContact NH1-OD2 2.75Å; R342-D344 PolarHBondContact NH1-OD2 3.09Å
343D37.8Very low36.7Very low162 Ų162149 Ų14987%0.86680%0.801SS**  trans-111.7138.7148.3-79.9-59.7000108.7
344D43.3Very low36.1Very low117 Ų117146.3 Ų146.363%0.62680%0.797SS**  trans-134.9126.8-170.4-138.2-38.7000107.5R342 F346R342-D344 IonicContact CZ-OD2 3.41Å; R342-D344 IonicContact NH1-OD2 2.75Å; R342-D344 PolarHBondContact NH1-OD2 3.09Å; D344-F346 PolarHBondContact O-N 2.88Å; D344-F346 VanDerWaalsContact O-N 3.17Å
345I51.3Low36Very low152 Ų152146 Ų14678%0.77979%0.794SS**SBendtrans-8898.7-165.2-63.2178.4000110.1
346F46.8Very low35.8Very low183 Ų183144 Ų14480%0.80379%0.794SS**SBendtrans84.6152176.2-59.7-59.6000117.1D344D344-F346 PolarHBondContact O-N 2.88Å; D344-F346 VanDerWaalsContact O-N 3.17Å
347P42.7Very low35.5Very low117 Ų117142.8 Ų142.876%0.7679%0.789SS**  trans-104.3168.4-13538.7-38.2000115.8
348R35.3Very low35.5Very low239 Ų239143 Ų14390%0.90278%0.784SS**  trans-121.4152.7155.9-77.7-170.8171.3-135.3-2.4111.3
349P34Very low35.1Very low132 Ų132140 Ų14086%0.85778%0.778SS**  trans-70143.7-173.5-17.832.5000112.9
350A32.8Very low35.2Very low99 Ų99139.2 Ų139.282%0.81877%0.77SS**  trans-92.7147.4177.100000112.4
351V32.9Very low35Very low139 Ų139140.2 Ų140.284%0.84277%0.768SS**  trans-104.1130.3164.5-177.30000107.6
352P36.6Very low35Very low108 Ų108139 Ų13970%0.70176%0.763SS**  trans-94.2140.2-167.534.7-34.5000113.8
353S31.4Very low34.7Very low119 Ų119135.9 Ų135.983%0.83276%0.76SS**  166.1131.4105.1-73.40000114.3
354G28.2Very low34.3Very low71 Ų71136 Ų13673%0.73275%0.753SS**  trans110.2147.2149.400000117.7
355V30.9Very low33.7Very low132 Ų132135.5 Ų135.580%0.875%0.754SS**  cis-157.2123.4-11.5148.40000107.7
356V32.4Very low32.7Very low138 Ų138135.6 Ų135.684%0.83675%0.751SS**  trans58.9156.6152.6169.40000119
357N29.5Very low32.1Very low137 Ų137133.3 Ų133.373%0.73374%0.743SS**  cis-174.1173.3-38.9-1672000107.6
358I33.7Very low31.7Very low132 Ų132134.9 Ų134.968%0.67774%0.74SS**  trans79.8104.4157.1-58.1-178.7000120.2
359N28.7Very low31.5Very low133 Ų133131.8 Ų131.871%0.71174%0.736SS**  trans53.5131.8130.8-70.8-39.2000126.3
360Q31.1Very low31.7Very low159 Ų159134.1 Ų134.174%0.74373%0.733SS**  81132.6128.2-77.8-167.745.100124.8
361N29.7Very low31.7Very low111 Ų111135 Ų13559%0.59473%0.728SS**  trans63.5113.5137-82.8-52.2000123.2
362Q30Very low32Very low150 Ų150135.4 Ų135.470%0.70173%0.725SS**  60.6130.2120.9-76.6-17077.800123.3
363L30.4Very low31.6Very low123 Ų123136.8 Ų136.864%0.64473%0.725SS**  trans88.8131.9132.8-105.258.2000123.1
364K29.3Very low31.8Very low165 Ų165139.9 Ų139.972%0.71772%0.723SS**  trans79.2100.9133.5-91.8171.9-170.2172.60122.4
365T29.1Very low32.8Very low107 Ų107141.3 Ų141.366%0.65672%0.72SS**  66.7141.3115.557.10000123.1
366Q32Very low33Very low153 Ų153140.5 Ų140.572%0.71572%0.716SS**  trans73.6151.1141.9-81.1-169.1103.400118.2
367Q32.6Very low33.2Very low135 Ų135139 Ų13963%0.63171%0.707SS**  cis-165161.6-23.5-133.9-178.642.700111
368Q35.2Very low33.1Very low150 Ų150138.8 Ų138.870%0.70171%0.706SS**  trans68.8156150-71-171.548.200123.1
369Q31.5Very low32.9Very low175 Ų175141.4 Ų141.482%0.81872%0.715SS**  trans98.4142.5152.8-50-160.218.700119
370K38.4Very low33Very low181 Ų181138.5 Ų138.579%0.78771%0.709SS**  cis-176.3163.8-42.5173170.4175.6-175.70107.4
371T32.8Very low32.8Very low116 Ų116139 Ų13971%0.71272%0.715SS**  trans81.5152.1175.780.40000113.6
372L37.7Very low32.8Very low148 Ų148138.4 Ų138.478%0.77573%0.726SS**  cis-156178.5-9.6-136.243.5000106.8
373I29.4Very low32.9Very low137 Ų137138.6 Ų138.670%0.70373%0.732SS**  cis-141.6-118.66.6-173153000111.9
374F35Very low33.5Very low184 Ų184137 Ų13781%0.80773%0.729SS**  trans-165.1177.6-167-95.1-63.7000107.7
375P50.3Low33.4Very low101 Ų101138.1 Ų138.166%0.65674%0.737SS**  cis-140.5165.919.844.6-26.5000118.7
376T35.2Very low33.4Very low116 Ų116136 Ų13671%0.71274%0.735SS**  trans52.2147141.652.60000122.4
377T35.4Very low33.4Very low107 Ų107135.3 Ų135.366%0.65675%0.748SS**  cis-158.6144.3410.10000111.2
378D27.9Very low33.3Very low131 Ų131132 Ų13270%0.70175%0.75SS**  trans50.7129.5131.8-52.6-13.9000124.9
379E30.2Very low33.9Very low187 Ų187130.6 Ų130.687%0.87475%0.754SS**  trans64.7151.8130-68.1-164.2149.400122.6
380A29.1Very low34.6Very low72 Ų72127 Ų12760%0.59575%0.746SS**  cis-161.9161.4-17.800000112.3
381I28.4Very low34.4Very low170 Ų170121.4 Ų121.487%0.87272%0.722SS**  trans23.2118144.2-53.6162.4000118.6
382A28.3Very low34.4Very low98 Ų98121.3 Ų121.381%0.8171%0.709SS**  -174.7139.7124.900000113.5
383N33.3Very low34.3Very low154 Ų154122.8 Ų122.882%0.82470%0.704SS**  trans-125.6135.3157.8-167.30.5000105
384P42.2Very low34.6Very low90 Ų90121.2 Ų121.258%0.58471%0.705SS**  -153.1-179.4109.540.3-22.9000115
385Q28.1Very low34.6Very low189 Ų189119.4 Ų119.488%0.88371%0.709SS**  trans28.1137.3141.7-64.3163.1-29.800119.6
386G27.8Very low33.7Very low61 Ų61118 Ų11863%0.62971%0.713SS**  cis133.4-176.517.600000110.7
387S31.9Very low34Very low139 Ų139124.2 Ų124.297%0.97272%0.724SS**  trans68.6173179.7830000116.7
388G31.5Very low35.1Very low66 Ų66124.1 Ų124.168%0.6873%0.725SS**  trans-132.1-146.4-159.900000116.3
389P48.3Very low36.3Very low121 Ų121124 Ų12479%0.78673%0.731SS**  trans-85.5-176.1-161.241.8-42.8000112.5
390P46.6Very low37Very low99 Ų99124.1 Ų124.164%0.64373%0.729SS**  cis-151.7-161.818.843.4-19.9000118.2
391Q33.8Very low37.3Very low63 Ų63130.5 Ų130.529%0.29474%0.743SS.*  trans86.8111.5141-81-77.6-104.400125.6S792 A793 N794Q391-S792 PolarHBondContact OE1-OG 3.03Å; Q391-A793 PolarHBondContact NE2-O 2.88Å; Q391-N794 PolarHBondContact NE2-OD1 3.22Å
392R32.9Very low37.8Very low114 Ų114130.1 Ų130.143%0.4374%0.742SS.*  90.9112.8115.6-139.7178.8-132-131.27.1123.1S792 N794R392-S792 PolarHBondContact NH2-O 3.49Å; R392-S792 PolarHBondContact NH2-OG 3.32Å; R392-N794 PolarHBondContact N-ND2 3.32Å
393R35.8Very low38.9Very low180 Ų180130.3 Ų130.368%0.67974%0.735SS**  trans54.3150138.7-60.1175.3-157.8-175.43.3119.9
394S34.6Very low39.1Very low103 Ų103130.9 Ų130.972%0.7274%0.735SS**  cis-159-153.2-3.431.20000108
395V34.8Very low38.7Very low146 Ų146131.7 Ų131.789%0.88574%0.738SS**  cis-161.3174.613.8-131.80000109.6
396G31.6Very low38.8Very low73 Ų73128.7 Ų128.775%0.75372%0.724SS**  trans152.6131159.400000118.8
397R41.9Very low38.8Very low245 Ų245135.5 Ų135.593%0.92573%0.73SS**  trans-174.9170.3172-116-171.1-177.7-152.12108.8
398P58.1Low38.7Very low105 Ų105135.5 Ų135.568%0.68272%0.718SS**  cis-122.2-151.7-13.837.1-14.9000110.9
399P52.8Low38.6Very low128 Ų128138.3 Ų138.383%0.83172%0.722SS**  -140-164.86932-8.7000115.3
400K46.2Very low37.7Very low191 Ų191136.8 Ų136.883%0.8372%0.72SS**  trans-130.6166.4-174.5-51.3172.5-179.3174.30112.2
401K34.7Very low37.6Very low206 Ų206137 Ų13790%0.89672%0.721SS**  trans-153.6171.4131-79.4-143.9178.1179.30112.5
402L38.7Very low37.3Very low161 Ų161142 Ų14284%0.84374%0.744SS**  trans-149.2-178.1-173.4-85.2176.6000107
403P51.8Low37.1Very low102 Ų102141.3 Ų141.366%0.66275%0.753SS**  cis-152.3-171.323.546.6-25.3000119.3
404M36.8Very low36.9Very low167 Ų167141 Ų14182%0.82376%0.759SS**  trans67.4152.9151-79175.369.600120.2
405V34.4Very low36.7Very low107 Ų107141.6 Ų141.665%0.64876%0.759SS**  cis-175.5174.1-21.281.20000108
406Q29.5Very low36.3Very low126 Ų126143.7 Ų143.759%0.58976%0.756SS**  cis-164.2169-6.2-150.2-177.5121.200108.7
407R27.7Very low37.1Very low203 Ų203145 Ų14577%0.76675%0.751SS**  trans69.2157.4154.9-76.3-176.1-159.8179.17.2119.4
408I30.9Very low36.5Very low139 Ų139142 Ų14271%0.71375%0.747SS**  cis-166.5161.8-27.1-148177.8000110.6
409V29.8Very low35.1Very low126 Ų126141.2 Ų141.276%0.76475%0.745SS**  trans67.2148.5160.3168.80000119.9
410A29.3Very low35.1Very low89 Ų89140 Ų14074%0.73674%0.737SS**  trans-132.2152.2158.700000107.2
411P44.4Very low34.5Very low104 Ų104138.2 Ų138.268%0.67574%0.735SS**  -155.9-158.884.541.2-19.8000114.5
412E27Very low34.3Very low167 Ų167134.8 Ų134.878%0.7873%0.726SS**  trans66.7172156.1-71.9-175.6134.500119.2
413T28.7Very low34.1Very low100 Ų100131.4 Ų131.461%0.61371%0.712SS**  -158.1168.5-6141.10000106.9
414Q30.6Very low33.2Very low172 Ų172135.6 Ų135.680%0.80472%0.72SS**  trans64.6167.9168.5-61.4178.643.100114.4
415T31.3Very low33.1Very low117 Ų117133.8 Ų133.872%0.71872%0.718SS**  cis-153.4172.4-28.726.40000109.1
416K27.1Very low33Very low190 Ų190135.6 Ų135.683%0.82672%0.723SS**  trans-54.6169.1155.1-107.1-174.2171.6-178.10111.4
417P47.3Very low33.2Very low101 Ų101135.1 Ų135.166%0.65673%0.729SS**  cis-114.8-132.54.425.10.3000110.5
418Q28.9Very low33.3Very low180 Ų180132.5 Ų132.584%0.84173%0.729SS**  cis-156.6-173.2-2.3-151.2170.2-99.100111.2
419S28.8Very low33.2Very low90 Ų90129.3 Ų129.363%0.62973%0.73SS**  trans-133.3-165.4173.963.40000108.8
420P53.7Low33.5Very low101 Ų101132.4 Ų132.466%0.65673%0.734SS**  cis-130.4-145.4-1725.51.1000111.2
421I33.9Very low34.1Very low154 Ų154133 Ų13379%0.7973%0.73SS**  trans80.8149.6155-63.3161.9000117.6
422N30.5Very low33.4Very low134 Ų134134.4 Ų134.472%0.71774%0.737SS**  cis-171.6172.3-39.5-157.1-8.5000110
423T32.9Very low33.5Very low90 Ų90132 Ų13255%0.55274%0.738SS**  trans65.5119.1150.244.30000124.1
424K33.3Very low33.4Very low191 Ų191132.7 Ų132.783%0.8375%0.747SS**  trans70.6161.8136.2-55168-176.7177.70116.6
425V34.3Very low33.3Very low128 Ų128130.6 Ų130.678%0.77675%0.746SS**  cis-134.7170.215.8179.80000111.5
426L32.8Very low33.1Very low145 Ų145129.1 Ų129.176%0.75975%0.745SS**  trans-48.4162.2173.8-73.276.4000114.9
427T33.4Very low33.1Very low116 Ų116126.1 Ų126.171%0.71275%0.748SS**  -170.7123.869.4-60.30000116
428I31.5Very low32.2Very low149 Ų149125.1 Ų125.176%0.76476%0.757SS**  trans44.7128.1146.8-55.1170.4000120.7
429G28.8Very low32.1Very low72 Ų72124 Ų12474%0.74276%0.757SS**  trans-144.4-30.3174.400000119.2
430K34.8Very low32.2Very low191 Ų191126.3 Ų126.383%0.8376%0.76SS**  trans63.8159.3177.7-71.5-178.6177.5178.40117.4
431P43.2Very low31.1Very low102 Ų102128.1 Ų128.166%0.66277%0.765SS**  cis-135.9179.3-33.138.9-22.7000114.4
432T27.8Very low30.9Very low132 Ų132127.9 Ų127.981%0.8177%0.765SS**  trans65.9139.316252.50000119
433S29Very low30.9Very low116 Ų116129.9 Ų129.981%0.81177%0.774SS**  cis-157.5162.4-9.9510000112.2
434S27.1Very low30.6Very low115 Ų115129.6 Ų129.680%0.80478%0.781SS**  trans-165.6178-178.762.60000108.8
435V28.3Very low30.5Very low129 Ų129128.9 Ų128.978%0.78278%0.784SS**  cis-156.6159.912.974.30000112.1
436A28.6Very low30.4Very low85 Ų85132.3 Ų132.370%0.70279%0.789SS**  trans75.5154.115400000122.1
437S26.9Very low30.4Very low127 Ų127130.9 Ų130.989%0.88879%0.791SS**  trans11.2123.4152-50.20000121
438G27.8Very low30.3Very low81 Ų81132.6 Ų132.684%0.83580%0.795SS**  trans-170.7141.2160.400000111.7
439N27.7Very low30.3Very low157 Ų157131.8 Ų131.884%0.8480%0.797SS**  trans-95.2-179.3167-169.610.6000109.1
440I30.5Very low30.4Very low138 Ų138134.1 Ų134.171%0.70880%0.797SS**  trans108.7107.2162.6-57.8164.6000116.4
441N29.5Very low30.3Very low139 Ų139130.7 Ų130.774%0.74379%0.792SS**  trans59.9121.9142.5-57.2-3.7000124
442N29.9Very low29.6Very low148 Ų148131 Ų13179%0.79180%0.796SS**  trans25.9125131.4-59.3-9.2000120.8
443I30.6Very low29.9Very low177 Ų177132.5 Ų132.591%0.90880%0.798SS**  -166.8158.2105.6-97.7159.1000110.5
444A27.3Very low29.9Very low84 Ų84132.8 Ų132.869%0.69480%0.8SS**  trans-77.3163.9-16500000116.5
445I31.6Very low30Very low176 Ų176132.3 Ų132.390%0.90380%0.797SS**  -161.1163.4123.5-98.7153.8000110.2
446K30.9Very low30.1Very low200 Ų200131.1 Ų131.187%0.8779%0.794SS**  trans-91.8141.4-162.1-48.1161.1-177.2173.10113.7
447S33.2Very low30.2Very low115 Ų115133.8 Ų133.880%0.80480%0.802SS**  trans-177.6114.9133.457.10000115.4
448N32.3Very low30.3Very low151 Ų151132.4 Ų132.481%0.80780%0.798SS**  trans30.7119.9144.5-69.610.3000124.5
449V30.5Very low30.5Very low132 Ų132134.3 Ų134.380%0.879%0.793SS**  80.7154.8128.5-176.80000119.4
450V31Very low30.7Very low122 Ų122133.4 Ų133.474%0.73979%0.794SS**  trans99.587.7172.1-168.20000117.8
451T32.1Very low30.7Very low118 Ų118134 Ų13472%0.72480%0.799SS**  59.4102.6123.5-46.10000122
452S30Very low30.8Very low109 Ų109134.4 Ų134.476%0.76281%0.806SS**  trans57.8158.2131.2-41.70000120.8
453I33.3Very low31.1Very low163 Ų163134.7 Ų134.784%0.83681%0.806SS**  cis-132.9147.37.8-57.4163.8000108.2
454S28.3Very low31.1Very low123 Ų123133 Ų13386%0.8681%0.805SS**  trans-104.4153.2171.6-69.20000112.9
455S29.2Very low31.4Very low105 Ų105138.3 Ų138.373%0.73481%0.812SS**  trans-101.2142.9175.355.90000112.7
456S30.6Very low31.2Very low104 Ų104133.7 Ų133.773%0.72781%0.807SS**  trans55.1117.6143.8-53.40000120.9
457T31.1Very low31.3Very low140 Ų140131.4 Ų131.486%0.85980%0.803SS**  trans66.7115.6134.6-43.90000119.8
458A29.8Very low31.1Very low98 Ų98131.4 Ų131.481%0.8180%0.803SS**  trans-150.3149.515100000111
459T31.3Very low31Very low121 Ų121131 Ų13174%0.74280%0.801SS**  trans-134.1161171.449.20000110.8
460T32.4Very low31Very low138 Ų138132.3 Ų132.385%0.84780%0.803SS**  trans76.5153.7172.472.60000117.7
461N30.6Very low30.9Very low152 Ų152130.8 Ų130.881%0.81380%0.798SS**  trans-104.6160.8-166.1-64-39.1000112.1
462T31.3Very low30.9Very low147 Ų147132.2 Ų132.290%0.90280%0.8SS**  trans-153.1148.7142-14.50000111.2
463I36.3Very low30.8Very low154 Ų154136 Ų13679%0.7980%0.803SS**  trans-114.6135.4-175.6-62.4168.8000109.5
464T30.4Very low30.6Very low142 Ų142133.5 Ų133.587%0.87180%0.795SS**  trans-152.6150.4153.4-270000111.7
465K33Very low30.8Very low195 Ų195133 Ų13385%0.84879%0.787SS**  trans-87.4155.2-175.7-64.1175.6178175.30112.7
466G27.5Very low31Very low78 Ų78134.8 Ų134.880%0.80478%0.784SS**  trans-151.8135.3159.100000110.2
467I32.3Very low31.2Very low152 Ų152136.7 Ų136.778%0.77979%0.786SS**  trans-131.8133.4-171.5-61.1169.9000110.4
468S29.5Very low31.2Very low116 Ų116136.3 Ų136.381%0.81178%0.783SS**  trans-165131.2158.656.50000112
469N30.9Very low31.2Very low141 Ų141138.3 Ų138.375%0.75478%0.78SS**  trans-110.3152.9176.6-71.7-34.5000111.8
470N30.1Very low30.9Very low160 Ų160138 Ų13886%0.85678%0.777SS**  trans-171.4132.8145.4-97.2-24.4000109.5
471S28.6Very low30.8Very low91 Ų91138.1 Ų138.164%0.63677%0.772SS**  cis81.412415.1-44.40000114.5
472I33Very low30.6Very low147 Ų147135.9 Ų135.975%0.75477%0.768SS**  cis-155.3154.5-15.1-25.9164.4000108.5
473K26.4Very low30.6Very low190 Ų190138.7 Ų138.783%0.82676%0.763SS**  trans165.1126.4137.7-86.8156.3-176.2-172.20110.4
474T30.6Very low30.2Very low109 Ų109136.4 Ų136.467%0.66976%0.761SS**  cis76.6147.64770.80000113.7
475T32.6Very low30.4Very low112 Ų112136.2 Ų136.269%0.68776%0.762SS**  cis-99.2-14215.737.10000112.8
476E31.7Very low30.1Very low144 Ų144133.5 Ų133.567%0.67376%0.757SS**  cis-155.5-179.8-0.342.7-79.3-26.600111.5
477N34.8Very low30Very low144 Ų144135.1 Ų135.177%0.7776%0.756SS**  trans61.993176.1-59.2-16.3000116
478V32.1Very low29.7Very low132 Ų132132.2 Ų132.280%0.875%0.749SS**  66118.667.6-178.30000112.6
479N29.2Very low29.6Very low139 Ų139133.4 Ų133.474%0.74375%0.751SS**  cis-161.2151.1-15.4-13714.9000112.1
480V26.3Very low29.3Very low114 Ų114132.9 Ų132.969%0.69175%0.754SS**  trans35.3120.4149.9-178.50000120.4
481I29.4Very low29.2Very low142 Ų142130.9 Ų130.973%0.72875%0.752SS**  -159.3136.4116-99.5159.8000109Y483I481-Y483 HydrophobicContact CG2-CD2 3.85Å; I481-Y483 HydrophobicContact CG2-CE2 4.07Å
482S25.9Very low29Very low104 Ų104131.9 Ų131.973%0.72776%0.759SS**  trans-137.5124.3175.157.10000109.6
483Y32.3Very low28.8Very low206 Ų206131.1 Ų131.181%0.80877%0.767SS**  trans-132.2108.7173.4-79.5-69.7000111.7I481I481-Y483 HydrophobicContact CG2-CD2 3.85Å; I481-Y483 HydrophobicContact CG2-CE2 4.07Å
484S28.3Very low29Very low106 Ų106126.9 Ų126.974%0.74176%0.761SS**  trans-79137.8155.5-50.70000109.1N486S484-N486 PolarHBondContact O-N 3.39Å
485P33.3Very low28.8Very low138 Ų138131.4 Ų131.490%0.89677%0.772SS**  trans-80.293159.216.9-3.1000108.3
486N26.6Very low28.8Very low139 Ų139130.6 Ų130.674%0.74378%0.776SS**  trans-98.9113.6175-172.680.4000110.1S484S484-N486 PolarHBondContact O-N 3.39Å
487S26Very low28.7Very low111 Ų111129.8 Ų129.878%0.77678%0.781SS**  trans-166.8143161.4-90.50000112.6
488S26.3Very low28.4Very low91 Ų91129.5 Ų129.564%0.63679%0.785SS**  cis-159.6141.6-17.6-100.30000108.3
489T27.8Very low28.2Very low141 Ų141127 Ų12787%0.86579%0.785SS**  trans-76.9125.9168.945.10000110.4
490T25.2Very low28.3Very low130 Ų130124.7 Ų124.780%0.79879%0.786SS**  trans-115.887.7168.840.70000110.8
491S27.8Very low28.6Very low119 Ų119125.4 Ų125.483%0.83280%0.796SS**  trans-76.3121.9162.353.10000109.8
492S23.9Very low28.7Very low111 Ų111122.5 Ų122.578%0.77680%0.801SS**  trans-128.5119.4172.550.80000111.2
493S29.1Very low29Very low131 Ų131121.8 Ų121.892%0.91680%0.801SS**  trans-118.182.7-179.148.30000111.3
494S29.2Very low29Very low102 Ų102118.4 Ų118.471%0.71380%0.802SS**  trans-148.5105.1170.9530000108.3
495K28.2Very low29.3Very low203 Ų203120.3 Ų120.388%0.88380%0.803SS**  65.5112.382.1-169.6179.8-178.3-177.70111.5
496A31.8Very low29.2Very low95 Ų95119.1 Ų119.179%0.78579%0.793SS**  trans-79.3145.2-177.900000113.3
497T29Very low29.3Very low127 Ų127118.9 Ų118.978%0.77979%0.792SS**  trans-159.9107.2151.330.70000111.1
498T29.6Very low29.6Very low139 Ų139120.4 Ų120.485%0.85379%0.79SS**  trans24.8127.5135.254.90000122.1
499G27.2Very low30.3Very low78 Ų78121.7 Ų121.780%0.80480%0.796SS**  trans110.9151.1142.300000117.2
500A31.4Very low30.4Very low92 Ų92121.9 Ų121.976%0.7680%0.797SS**  cis-165.9157.5-10.800000112.6
501S32.7Very low30.8Very low128 Ų128121.4 Ų121.490%0.89579%0.794SS**  trans70.4140.5152.8-58.40000121.7
502G31.6Very low30.9Very low81 Ų81121.6 Ų121.684%0.83579%0.79SS**  trans106.5116161.400000116.6
503A32.5Very low31.2Very low89 Ų89122.8 Ų122.874%0.73679%0.793SS**  cis162.4142.1-36.200000108
504V32.2Very low31.2Very low136 Ų136121.3 Ų121.382%0.82479%0.789SS**  trans69.3134.4164.8178.10000114.3
505I33.5Very low31.2Very low146 Ų146119.5 Ų119.575%0.74979%0.786SS**  cis-126.9128.313.2-53171.9000108
506T31.1Very low31.4Very low112 Ų112116.7 Ų116.769%0.68779%0.786SS**  66.6140.576.9-8.70000118.3
507N29.6Very low31.3Very low135 Ų135117 Ų11772%0.72278%0.782SS**  trans75.7142.7165.7-61.44.2000119.1
508I32Very low31.7Very low143 Ų143117.4 Ų117.473%0.73379%0.785SS**  cis-162.5155.2-31.4-120.8160.6000107.3
509P39.9Very low31.9Very low118 Ų118116.1 Ų116.177%0.76678%0.779SS**  trans-86.5150.5-165.633.9-35.7000115
510T31.2Very low32Very low144 Ų144119.3 Ų119.388%0.88378%0.782SS**  trans-129.9141.9164.8-450000110.1
511T32.8Very low31.7Very low121 Ų121117.9 Ų117.974%0.74278%0.776SS**  trans-89.8156.3-160.254.10000115.8
512T29.8Very low31.6Very low122 Ų122121.3 Ų121.375%0.74878%0.775SS**  trans98.7120.5142.7-55.10000120.4
513T30.2Very low31.2Very low136 Ų136122.1 Ų122.183%0.83477%0.768SS**  trans64.686.1152.2-54.50000121.3
514A30.4Very low31.3Very low101 Ų101125.1 Ų125.184%0.83577%0.77SS**  -163.1154.3124.600000107
515G28.4Very low31.3Very low64 Ų64123.1 Ų123.166%0.6676%0.758SS**  cis116.9104.69.900000110.5
516T32Very low31.1Very low143 Ų143125 Ų12588%0.87776%0.764SS**  trans103.5152.5174.6-43.50000117.4
517S30.3Very low31.1Very low101 Ų101126.3 Ų126.371%0.70677%0.766SS**  trans7876.3164.153.10000121.7
518V37.7Very low31.4Very low136 Ų136129.6 Ų129.682%0.82477%0.774SS**  14.4124.9108.7176.60000116.1
519P34.3Very low31.5Very low112 Ų112131.1 Ų131.173%0.72778%0.78SS**  -150.413797.337.1-18.5000119.3
520V27.5Very low31Very low145 Ų145130.6 Ų130.688%0.87978%0.775SS**  trans49.1124.4134-174.60000121.3
521G25.7Very low31.1Very low62 Ų62132.8 Ų132.864%0.63978%0.775SS**  trans166.4126.9142.100000117.9
522K30.9Very low31.5Very low200 Ų200138 Ų13887%0.8778%0.781SS**  trans72.3119.3164.4-55170.3-171.8174.30114.7
523S24.2Very low32Very low99 Ų99135.5 Ų135.569%0.69278%0.78SS**  cis61128.818.579.40000114.6
524I33.9Very low32.4Very low151 Ų151135.5 Ų135.577%0.77478%0.779SS**  -172.8153.772.2-84.6152000108.8
525T31.9Very low33Very low94 Ų94139.9 Ų139.958%0.57778%0.783SS**  cis-165.3148.2-40.249.20000108.6
526Q30.2Very low33.6Very low187 Ų187142.8 Ų142.887%0.87479%0.788SS**  trans-11392.1156.3-75.9-78.714.100107.7
527L31Very low34.3Very low138 Ų138139.6 Ų139.672%0.72378%0.784SS**  63.959.379.3-62.5178.8000115.8
528K35.9Very low35.4Very low204 Ų204140.8 Ų140.889%0.88779%0.786SS**  trans-94135.3139.9-170169.3-178.3175.90109.3T530K528-T530 PolarHBondContact O-N 3.22Å
529M33.9Very low36.4Very low175 Ų175139.8 Ų139.886%0.86277%0.773SS**  trans-64.1120.3-167.6-81.8-80.8-82.300114.1
530T29Very low38Very low108 Ų108138.4 Ų138.466%0.66376%0.759SS**  trans-13.8118.2155.8-51.20000117.8K528 R532K528-T530 PolarHBondContact O-N 3.22Å; T530-R532 HydrophobicContact CG2-CG 3.8Å
531E33.8Very low39.8Very low189 Ų189135.2 Ų135.288%0.88374%0.741SS**  trans-117.3126.6136.7-174.3166.9-151.600108.6G533E531-G533 VanDerWaalsContact C-N 3.34Å; E531-G533 PolarHBondContact O-N 2.88Å; E531-G533 VanDerWaalsContact O-N 3.09Å
532R39.5Very low41.7Very low232 Ų232141 Ų14188%0.87575%0.749SS**  trans-8671.2-176.8-80-175.3172.1171.1-2.6111.6T530T530-R532 HydrophobicContact CG2-CG 3.8Å
533G40.8Very low44.2Very low69 Ų69133.1 Ų133.171%0.71172%0.719SS**  trans-64.6133.1158.500000110.3E531E531-G533 VanDerWaalsContact C-N 3.34Å; E531-G533 PolarHBondContact O-N 2.88Å; E531-G533 VanDerWaalsContact O-N 3.09Å
534T40Very low47Very low135 Ų135134.6 Ų134.683%0.82872%0.719SS**  trans-68.7135.1-177.642.80000112.4T536T534-T536 PolarHBondContact O-N 2.94Å
535Q41.5Very low49.5Very low193 Ų193133.5 Ų133.590%0.90272%0.715SS**SBendtrans-73.187.2-171.9-174-173.6-8.700113.6
536T41.9Very low52.2Low125 Ų125131.9 Ų131.977%0.76770%0.701SS**  trans-13447.4154.158.70000110.3T534 V538T534-T536 PolarHBondContact O-N 2.94Å; T536-V538 VanDerWaalsContact C-N 3.25Å; T536-V538 PolarHBondContact O-N 3.23Å
537G46Very low54.8Low77 Ų77128.2 Ų128.279%0.79468%0.682SS**  trans-7370.5-17900000113.2Q539G537-Q539 PolarHBondContact O-N 2.98Å
538V53.5Low57.6Low126 Ų126125.7 Ų125.776%0.76467%0.669SS**  trans-64.3118.8158.7-177.20000106.3T536 N540T536-V538 VanDerWaalsContact C-N 3.25Å; T536-V538 PolarHBondContact O-N 3.23Å; V538-N540 PolarHBondContact O-N 3.05Å
539Q58.6Low60.2Low114 Ų114121 Ų12153%0.53365%0.65SS.*  trans-54.7126.5169.8-81.1-167.1-16.300107.7G537 P541 H546 E549G537-Q539 PolarHBondContact O-N 2.98Å; Q539-P541 WeakPolarHBondContact O-CD 3.47Å; Q539-P541 VanDerWaalsContact O-N 3.13Å; Q539-H546 PolarHBondContact OE1-CE1 2.82Å; Q539-H546 PolarHBondContact OE1-ND1 3.35Å; Q539-E549 PolarHBondContact NE2-OE2 2.93Å; Q539-E549 VanDerWaalsContact NE2-OE2 3.11Å
540N68.6Low62.7Low84 Ų84117.5 Ų117.545%0.44963%0.633SS.*  trans-64.6115.1179.417515.9000108.8V538 F542 S543V538-N540 PolarHBondContact O-N 3.05Å; N540-F542 PolarHBondContact O-N 3.35Å; N540-F542 VanDerWaalsContact O-N 3.12Å; N540-F542 PolarHBondContact OD1-N 3.25Å; N540-S543 WeakPolarHBondContact O-CB 3.49Å; N540-S543 PolarHBondContact O-N 2.85Å; N540-S543 PolarHBondContact O-OG 3.26Å
541P65.3Low65.6Low77 Ų77113.5 Ų113.550%0.561%0.607SS.*THydrogen-bonded Turntrans-66.8-14.9-178.928.8-35.3000112.5Q539Q539-P541 WeakPolarHBondContact O-CD 3.47Å; Q539-P541 VanDerWaalsContact O-N 3.13Å
542F64.8Low68.3Low184 Ų184111 Ų11181%0.80759%0.593SS**THydrogen-bonded Turntrans-10127.5173.5-50.3-75.2000112.6N540N540-F542 PolarHBondContact O-N 3.35Å; N540-F542 VanDerWaalsContact O-N 3.12Å; N540-F542 PolarHBondContact OD1-N 3.25Å
543S83.7Confident70.7Confident35 Ų35103 Ų10325%0.24557%0.572CS.*  trans-100.6135.2171630000111.1N540 N545 H546 F547N540-S543 WeakPolarHBondContact O-CB 3.49Å; N540-S543 PolarHBondContact O-N 2.85Å; N540-S543 PolarHBondContact O-OG 3.26Å; S543-N545 PolarHBondContact O-N 3.01Å; S543-N545 VanDerWaalsContact O-N 3.14Å; S543-H546 WeakPolarHBondContact O-CB 3.44Å; S543-H546 PolarHBondContact O-N 3.06Å; S543-H546 WeakPolarHBondContact OG-CB 3.48Å; S543-F547 PolarHBondContact O-N 3.26Å
544D83.5Confident73Confident129 Ų129105.1 Ų105.169%0.6956%0.563SS**Hα-helixtrans-56.4-34.1-179.3-53-38000111.9F547 L548D544-F547 PolarHBondContact O-N 3.42Å; D544-L548 WeakPolarHBondContact O-CB 3.43Å; D544-L548 VanDerWaalsContact O-CG 3.22Å; D544-L548 WeakPolarHBondContact O-CG 3.32Å; D544-L548 PolarHBondContact O-N 3.45Å
545N86.1Confident75.3Confident128 Ų128102.6 Ų102.668%0.68454%0.543SS*.Hα-helixtrans-61.2-43.6174.5-71.8-19.9000112.5S543 L548 E549S543-N545 PolarHBondContact O-N 3.01Å; S543-N545 VanDerWaalsContact O-N 3.14Å; N545-L548 PolarHBondContact O-N 3.12Å; N545-E549 VanDerWaalsContact O-CB 3.24Å; N545-E549 WeakPolarHBondContact O-CB 3.23Å; N545-E549 PolarHBondContact O-N 3.12Å
546H87.8Confident77.6Confident60 Ų60101 Ų10128%0.27854%0.536SS..Hα-helixtrans-69.8-38.5177.3-178.378.4000111.6Q539 S543 E549 M550Q539-H546 PolarHBondContact OE1-CE1 2.82Å; Q539-H546 PolarHBondContact OE1-ND1 3.35Å; S543-H546 WeakPolarHBondContact O-CB 3.44Å; S543-H546 PolarHBondContact O-N 3.06Å; S543-H546 WeakPolarHBondContact OG-CB 3.48Å; H546-E549 PolarHBondContact O-N 3.27Å; H546-M550 WeakPolarHBondContact O-CB 3.46Å; H546-M550 PolarHBondContact O-N 3.42Å
547F86.5Confident80Confident110 Ų110103 Ų10348%0.48254%0.536SS..Hα-helixtrans-62.2-44.1173.4175.2-102.4000112.1S543 D544 M550 I551S543-F547 PolarHBondContact O-N 3.26Å; D544-F547 PolarHBondContact O-N 3.42Å; F547-M550 HydrophobicContact CD2-CE 4.02Å; F547-M550 HydrophobicContact CE2-CE 4.45Å; F547-M550 PolarHBondContact O-N 3.5Å; F547-I551 HydrophobicContact CD1-CD1 4.24Å; F547-I551 HydrophobicContact CD2-CD1 4.06Å; F547-I551 HydrophobicContact CE1-CD1 3.71Å; F547-I551 HydrophobicContact CE2-CD1 3.51Å; F547-I551 HydrophobicContact CG-CD1 4.4Å; F547-I551 HydrophobicContact CZ-CD1 3.32Å; F547-I551 WeakPolarHBondContact O-CG1 3.37Å; F547-I551 PolarHBondContact O-N 3.43Å
548L89Confident82.3Confident86 Ų86101.2 Ų101.245%0.4551%0.508SS..Hα-helixtrans-67.8-36.8174.2-70.6169.7000112.1D544 N545 I551 K552D544-L548 WeakPolarHBondContact O-CB 3.43Å; D544-L548 VanDerWaalsContact O-CG 3.22Å; D544-L548 WeakPolarHBondContact O-CG 3.32Å; D544-L548 PolarHBondContact O-N 3.45Å; N545-L548 PolarHBondContact O-N 3.12Å; L548-I551 PolarHBondContact O-N 2.87Å; L548-K552 WeakPolarHBondContact O-CB 3.46Å; L548-K552 WeakPolarHBondContact O-CD 3.33Å; L548-K552 WeakPolarHBondContact O-CG 3.33Å; L548-K552 PolarHBondContact O-N 2.84Å
549E89.6Confident84.3Confident104 Ų10498.8 Ų98.849%0.48649%0.49SS..Hα-helixtrans-63.3-41.2174.2-172.4167.4-15200111.5Q539 N545 H546 P553Q539-E549 PolarHBondContact NE2-OE2 2.93Å; Q539-E549 VanDerWaalsContact NE2-OE2 3.11Å; N545-E549 VanDerWaalsContact O-CB 3.24Å; N545-E549 WeakPolarHBondContact O-CB 3.23Å; N545-E549 PolarHBondContact O-N 3.12Å; H546-E549 PolarHBondContact O-N 3.27Å; E549-P553 VanDerWaalsContact O-CD 3.23Å; E549-P553 WeakPolarHBondContact O-CD 3.43Å
550M87.8Confident85.9Confident103 Ų10398.4 Ų98.451%0.50750%0.498SS..Hα-helixtrans-65.9-39.2174.1-179.4-176.467.400113.3H546 F547H546-M550 WeakPolarHBondContact O-CB 3.46Å; H546-M550 PolarHBondContact O-N 3.42Å; F547-M550 HydrophobicContact CD2-CE 4.02Å; F547-M550 HydrophobicContact CE2-CE 4.45Å; F547-M550 PolarHBondContact O-N 3.5Å
551I88.9Confident87.1Confident23 Ų23103.3 Ų103.312%0.11851%0.51CS..Hα-helixtrans-85.3-26.7-175.8-71178.5000112.7F547 L548 Q554 M555 F566F547-I551 HydrophobicContact CD1-CD1 4.24Å; F547-I551 HydrophobicContact CD2-CD1 4.06Å; F547-I551 HydrophobicContact CE1-CD1 3.71Å; F547-I551 HydrophobicContact CE2-CD1 3.51Å; F547-I551 HydrophobicContact CG-CD1 4.4Å; F547-I551 HydrophobicContact CZ-CD1 3.32Å; F547-I551 WeakPolarHBondContact O-CG1 3.37Å; F547-I551 PolarHBondContact O-N 3.43Å; L548-I551 PolarHBondContact O-N 2.87Å; I551-Q554 PolarHBondContact O-N 3.16Å; I551-Q554 VanDerWaalsContact O-N 3.14Å; I551-M555 HydrophobicContact CG2-CG 3.8Å; I551-M555 HydrophobicContact CG2-SD 3.8Å; I551-M555 WeakPolarHBondContact O-CB 3.22Å; I551-M555 PolarHBondContact O-N 3.14Å; I551-F566 HydrophobicContact CG2-CZ 4.24Å
552K90.1Very high88.5Confident136 Ų136104 Ų10459%0.59151%0.507SS*.Hα-helixtrans-49.7-48.6-179.8-90.2164.9-174.7176.70114.1L548 M555 Q556L548-K552 WeakPolarHBondContact O-CB 3.46Å; L548-K552 WeakPolarHBondContact O-CD 3.33Å; L548-K552 WeakPolarHBondContact O-CG 3.33Å; L548-K552 PolarHBondContact O-N 2.84Å; K552-M555 CarbonylContact O-C 3.57Å; K552-M555 PolarHBondContact O-N 3.42Å; K552-Q556 WeakPolarHBondContact O-CB 3.43Å; K552-Q556 PolarHBondContact O-N 3.05Å
553P91.5Very high89.9Confident65 Ų6599.2 Ų99.242%0.42249%0.486SS..Hα-helixtrans-62.7-45.1177.3-23.934.6000113E549 M555 Q556 E557E549-P553 VanDerWaalsContact O-CD 3.23Å; E549-P553 WeakPolarHBondContact O-CD 3.43Å; P553-M555 VanDerWaalsContact C-N 3.33Å; P553-M555 PolarHBondContact O-N 2.93Å; P553-Q556 WeakPolarHBondContact O-CA 3.19Å; P553-Q556 WeakPolarHBondContact O-CB 3.43Å; P553-Q556 PolarHBondContact O-N 2.81Å; P553-E557 WeakPolarHBondContact O-CG 3.41Å; P553-E557 PolarHBondContact O-N 2.79Å
554Q87.6Confident90.4Very high114 Ų114102.7 Ų102.753%0.53350%0.499SS..Hα-helixtrans-62.1-42.7178-58.9-179.7-1.400111I551 Q556 M558I551-Q554 PolarHBondContact O-N 3.16Å; I551-Q554 VanDerWaalsContact O-N 3.14Å; Q554-Q556 VanDerWaalsContact C-N 3.31Å; Q554-Q556 PolarHBondContact O-N 3.13Å; Q554-M558 VanDerWaalsContact O-CG 3.23Å; Q554-M558 WeakPolarHBondContact O-CG 3.39Å; Q554-M558 PolarHBondContact O-N 3.37Å; Q554-M558 VanDerWaalsContact O-N 3.16Å
555M89.1Confident90.9Very high82 Ų82101.8 Ų101.840%0.40449%0.49SS..Hα-helixtrans-63.4-32.9170.8-91.4-17853.400112.5I551 K552 P553 K563 F566I551-M555 HydrophobicContact CG2-CG 3.8Å; I551-M555 HydrophobicContact CG2-SD 3.8Å; I551-M555 WeakPolarHBondContact O-CB 3.22Å; I551-M555 PolarHBondContact O-N 3.14Å; K552-M555 CarbonylContact O-C 3.57Å; K552-M555 PolarHBondContact O-N 3.42Å; P553-M555 VanDerWaalsContact C-N 3.33Å; P553-M555 PolarHBondContact O-N 2.93Å; M555-K563 WeakPolarHBondContact O-CE 3.35Å; M555-K563 PolarHBondContact O-NZ 2.71Å; M555-K563 VanDerWaalsContact O-NZ 3.15Å; M555-F566 HydrophobicContact CG-CD1 4.41Å; M555-F566 HydrophobicContact CG-CE1 4.08Å; M555-F566 HydrophobicContact SD-CD1 4.41Å; M555-F566 HydrophobicContact SD-CE1 3.76Å
556Q89.8Confident91.3Very high160 Ų16099.3 Ų99.375%0.74847%0.474SS*.Hα-helixtrans-66.9-49.3177.7-171.9169.7-6.500110.6K552 P553 Q554 M558 K563K552-Q556 WeakPolarHBondContact O-CB 3.43Å; K552-Q556 PolarHBondContact O-N 3.05Å; P553-Q556 WeakPolarHBondContact O-CA 3.19Å; P553-Q556 WeakPolarHBondContact O-CB 3.43Å; P553-Q556 PolarHBondContact O-N 2.81Å; Q554-Q556 VanDerWaalsContact C-N 3.31Å; Q554-Q556 PolarHBondContact O-N 3.13Å; Q556-M558 VanDerWaalsContact C-N 3.33Å; Q556-M558 PolarHBondContact O-N 3.21Å; Q556-K563 PolarHBondContact O-NZ 3.11Å
557E92.8Very high91.6Very high165 Ų165103.8 Ų103.877%0.77149%0.492SS*.Hα-helixtrans-61.9-32.1179.5-69.1171.4-170.600114.1P553P553-E557 WeakPolarHBondContact O-CG 3.41Å; P553-E557 PolarHBondContact O-N 2.79Å
558M93.6Very high91.9Very high40 Ų40104.9 Ų104.920%0.19750%0.497CS..SBendtrans-62.4136-179.5-79.1161.351.300113.2Q554 Q556 Q562 K563 F566Q554-M558 VanDerWaalsContact O-CG 3.23Å; Q554-M558 WeakPolarHBondContact O-CG 3.39Å; Q554-M558 PolarHBondContact O-N 3.37Å; Q554-M558 VanDerWaalsContact O-N 3.16Å; Q556-M558 VanDerWaalsContact C-N 3.33Å; Q556-M558 PolarHBondContact O-N 3.21Å; M558-Q562 HydrophobicContact CB-CB 4Å; M558-Q562 HydrophobicContact CE-CB 4.2Å; M558-Q562 WeakPolarHBondContact CE-O 3.21Å; M558-Q562 HydrophobicContact CG-CB 4.16Å; M558-K563 HydrophobicContact CB-CG 4.04Å; M558-K563 HydrophobicContact CE-CG 4.37Å; M558-K563 WeakPolarHBondContact O-CD 3.49Å; M558-K563 WeakPolarHBondContact O-CE 3.26Å; M558-K563 PolarHBondContact O-NZ 3.09Å; M558-F566 HydrophobicContact CE-CB 3.42Å; M558-F566 VanDerWaalsContact CE-CB 3.42Å; M558-F566 HydrophobicContact CE-CD1 4.32Å; M558-F566 HydrophobicContact CE-CD2 4.47Å; M558-F566 HydrophobicContact CE-CG 3.86Å
559N94.9Very high92.1Very high75 Ų75108.4 Ų108.440%0.40151%0.509SS..  trans-70.5164.2174.675.638.8000112.1R561 Q562 K563N559-R561 VanDerWaalsContact C-N 3.25Å; N559-R561 PolarHBondContact O-N 3.36Å; N559-R561 VanDerWaalsContact O-N 3.16Å; N559-R561 WeakPolarHBondContact OD1-CB 3.44Å; N559-R561 PolarHBondContact OD1-N 2.81Å; N559-R561 VanDerWaalsContact OD1-N 3.08Å; N559-Q562 PolarHBondContact ND2-OE1 2.78Å; N559-Q562 WeakPolarHBondContact O-CB 3.49Å; N559-Q562 PolarHBondContact O-N 2.85Å; N559-Q562 VanDerWaalsContact O-N 3.1Å; N559-Q562 WeakPolarHBondContact OD1-CG 3.48Å; N559-Q562 PolarHBondContact OD1-N 3.47Å; N559-K563 WeakPolarHBondContact O-CG 3.46Å; N559-K563 PolarHBondContact O-N 2.84Å
560P94.1Very high92.3Very high106 Ų106106.4 Ų106.469%0.68850%0.504SS*.Hα-helixtrans-57.1-33.1-176.3-28.336.6000114.7M564P560-M564 PolarHBondContact O-N 3.01Å
561R93.9Very high92.5Very high187 Ų187107.9 Ų107.971%0.70651%0.507SS*.Hα-helixtrans-70.3-44.3176.8-171.4178.9-67.2-91.32.6111N559 M564 H565N559-R561 VanDerWaalsContact C-N 3.25Å; N559-R561 PolarHBondContact O-N 3.36Å; N559-R561 VanDerWaalsContact O-N 3.16Å; N559-R561 WeakPolarHBondContact OD1-CB 3.44Å; N559-R561 PolarHBondContact OD1-N 2.81Å; N559-R561 VanDerWaalsContact OD1-N 3.08Å; R561-M564 WeakPolarHBondContact O-CB 3.34Å; R561-M564 PolarHBondContact O-N 3.07Å; R561-H565 PolarHBondContact O-CD2 3.25Å; R561-H565 PolarHBondContact O-N 3.1Å
562Q93.4Very high92.6Very high92 Ų92112.5 Ų112.543%0.4353%0.528SS..Hα-helixtrans-61.9-42.8173.3-70.6165.7-28.100111.6M558 N559 M564 H565 F566M558-Q562 HydrophobicContact CB-CB 4Å; M558-Q562 HydrophobicContact CE-CB 4.2Å; M558-Q562 WeakPolarHBondContact CE-O 3.21Å; M558-Q562 HydrophobicContact CG-CB 4.16Å; N559-Q562 PolarHBondContact ND2-OE1 2.78Å; N559-Q562 WeakPolarHBondContact O-CB 3.49Å; N559-Q562 PolarHBondContact O-N 2.85Å; N559-Q562 VanDerWaalsContact O-N 3.1Å; N559-Q562 WeakPolarHBondContact OD1-CG 3.48Å; N559-Q562 PolarHBondContact OD1-N 3.47Å; Q562-M564 VanDerWaalsContact C-N 3.32Å; Q562-M564 PolarHBondContact O-N 3.14Å; Q562-H565 PolarHBondContact O-N 2.87Å; Q562-F566 WeakPolarHBondContact O-CB 3.47Å; Q562-F566 PolarHBondContact O-N 3.36Å
563K93.8Very high92.4Very high84 Ų84108.2 Ų108.237%0.36552%0.518SS..Hα-helixtrans-55.8-44.9172.2-76.2165.3168143.30111.7M555 Q556 M558 N559 F566 K567M555-K563 WeakPolarHBondContact O-CE 3.35Å; M555-K563 PolarHBondContact O-NZ 2.71Å; M555-K563 VanDerWaalsContact O-NZ 3.15Å; Q556-K563 PolarHBondContact O-NZ 3.11Å; M558-K563 HydrophobicContact CB-CG 4.04Å; M558-K563 HydrophobicContact CE-CG 4.37Å; M558-K563 WeakPolarHBondContact O-CD 3.49Å; M558-K563 WeakPolarHBondContact O-CE 3.26Å; M558-K563 PolarHBondContact O-NZ 3.09Å; N559-K563 WeakPolarHBondContact O-CG 3.46Å; N559-K563 PolarHBondContact O-N 2.84Å; K563-F566 PolarHBondContact O-N 2.6Å; K563-K567 WeakPolarHBondContact O-CB 3.46Å; K563-K567 PolarHBondContact O-N 2.92Å
564M95Very high92.3Very high107 Ų107109.1 Ų109.153%0.52752%0.519SS..Hα-helixtrans-62.7-46.1173.6-99.8-72.4-83.300113.1P560 R561 Q562 F566 K567 K568P560-M564 PolarHBondContact O-N 3.01Å; R561-M564 WeakPolarHBondContact O-CB 3.34Å; R561-M564 PolarHBondContact O-N 3.07Å; Q562-M564 VanDerWaalsContact C-N 3.32Å; Q562-M564 PolarHBondContact O-N 3.14Å; M564-F566 VanDerWaalsContact C-N 3.35Å; M564-F566 PolarHBondContact O-N 3.33Å; M564-K567 PolarHBondContact O-N 2.91Å; M564-K568 WeakPolarHBondContact O-CB 3.47Å; M564-K568 WeakPolarHBondContact O-CG 3.24Å; M564-K568 PolarHBondContact O-N 2.96Å
565H93.8Very high92.2Very high110 Ų110107.3 Ų107.351%0.50951%0.511SS..Hα-helixtrans-65.2-36.5177.1-71.6-67.9000112.8R561 Q562 K568 K569R561-H565 PolarHBondContact O-CD2 3.25Å; R561-H565 PolarHBondContact O-N 3.1Å; Q562-H565 PolarHBondContact O-N 2.87Å; H565-K568 PolarHBondContact O-N 3.24Å; H565-K569 WeakPolarHBondContact O-CG 3.4Å; H565-K569 PolarHBondContact O-N 2.82Å
566F93.8Very high92Very high76 Ų76109.6 Ų109.633%0.33352%0.521SS..Hα-helixtrans-67.4-47.2174177.4-101.6000111.6I551 M555 M558 Q562 K563 M564 K568 K569 V570I551-F566 HydrophobicContact CG2-CZ 4.24Å; M555-F566 HydrophobicContact CG-CD1 4.41Å; M555-F566 HydrophobicContact CG-CE1 4.08Å; M555-F566 HydrophobicContact SD-CD1 4.41Å; M555-F566 HydrophobicContact SD-CE1 3.76Å; M558-F566 HydrophobicContact CE-CB 3.42Å; M558-F566 VanDerWaalsContact CE-CB 3.42Å; M558-F566 HydrophobicContact CE-CD1 4.32Å; M558-F566 HydrophobicContact CE-CD2 4.47Å; M558-F566 HydrophobicContact CE-CG 3.86Å; Q562-F566 WeakPolarHBondContact O-CB 3.47Å; Q562-F566 PolarHBondContact O-N 3.36Å; K563-F566 PolarHBondContact O-N 2.6Å; M564-F566 VanDerWaalsContact C-N 3.35Å; M564-F566 PolarHBondContact O-N 3.33Å; F566-K568 VanDerWaalsContact C-N 3.28Å; F566-K568 PolarHBondContact O-N 2.87Å; F566-K569 PolarHBondContact O-N 3.4Å; F566-K569 VanDerWaalsContact O-N 3.07Å; F566-V570 HydrophobicContact CD1-CG2 4.23Å; F566-V570 HydrophobicContact CD2-CG2 4.39Å; F566-V570 HydrophobicContact CE1-CG2 3.87Å; F566-V570 HydrophobicContact CE2-CG2 4.03Å; F566-V570 HydrophobicContact CG-CG2 4.48Å; F566-V570 HydrophobicContact CZ-CG2 3.76Å; F566-V570 WeakPolarHBondContact O-CG2 3.31Å; F566-V570 PolarHBondContact O-N 3.5Å
567K93.9Very high91.3Very high154 Ų154106 Ų10667%0.6751%0.51SS*.Hα-helixtrans-57.2-42.1173.7-172.9178.8179.8-177.70111.4K563 M564 F571K563-K567 WeakPolarHBondContact O-CB 3.46Å; K563-K567 PolarHBondContact O-N 2.92Å; M564-K567 PolarHBondContact O-N 2.91Å; K567-F571 WeakPolarHBondContact O-CB 3.08Å; K567-F571 PolarHBondContact O-N 3.49Å
568K93.9Very high90.1Very high134 Ų134105.4 Ų105.458%0.58351%0.505SS*.Hα-helixtrans-61.4-44.9172.7-77.2-170.4174-163.90112.4M564 H565 F566 F571 Q572M564-K568 WeakPolarHBondContact O-CB 3.47Å; M564-K568 WeakPolarHBondContact O-CG 3.24Å; M564-K568 PolarHBondContact O-N 2.96Å; H565-K568 PolarHBondContact O-N 3.24Å; F566-K568 VanDerWaalsContact C-N 3.28Å; F566-K568 PolarHBondContact O-N 2.87Å; K568-F571 PolarHBondContact O-N 2.83Å; K568-Q572 VanDerWaalsContact O-CB 3.22Å; K568-Q572 WeakPolarHBondContact O-CB 3.49Å; K568-Q572 PolarHBondContact O-N 3.33Å
569K93.3Very high88.6Confident160 Ų160109 Ų10970%0.69653%0.526SS*.Hα-helixtrans-64.2-43176.6-78.3-174.2175.1-170.10113.1H565 F566 Q572 A573H565-K569 WeakPolarHBondContact O-CG 3.4Å; H565-K569 PolarHBondContact O-N 2.82Å; F566-K569 PolarHBondContact O-N 3.4Å; F566-K569 VanDerWaalsContact O-N 3.07Å; K569-Q572 PolarHBondContact O-N 3.18Å; K569-A573 WeakPolarHBondContact O-CB 3.43Å; K569-A573 PolarHBondContact O-N 2.97Å
570V92.4Very high86.5Confident62 Ų62109.5 Ų109.538%0.37653%0.528SS..Hα-helixtrans-63.5-46.3176.3171.80000110.3F566 A573 L574F566-V570 HydrophobicContact CD1-CG2 4.23Å; F566-V570 HydrophobicContact CD2-CG2 4.39Å; F566-V570 HydrophobicContact CE1-CG2 3.87Å; F566-V570 HydrophobicContact CE2-CG2 4.03Å; F566-V570 HydrophobicContact CG-CG2 4.48Å; F566-V570 HydrophobicContact CZ-CG2 3.76Å; F566-V570 WeakPolarHBondContact O-CG2 3.31Å; F566-V570 PolarHBondContact O-N 3.5Å; V570-A573 PolarHBondContact O-N 3.13Å; V570-L574 HydrophobicContact CG1-CD1 3.88Å; V570-L574 HydrophobicContact CG1-CG 4.48Å; V570-L574 WeakPolarHBondContact O-CB 3.32Å; V570-L574 VanDerWaalsContact O-CG 3.23Å; V570-L574 WeakPolarHBondContact O-CG 3.36Å; V570-L574 PolarHBondContact O-N 3.43Å
571F91.9Very high84.4Confident133 Ų133108 Ų10858%0.58353%0.525SS*.Hα-helixtrans-63.5-43.2176.6-170.9-100.5000112.1K567 K568 L574 M575K567-F571 WeakPolarHBondContact O-CB 3.08Å; K567-F571 PolarHBondContact O-N 3.49Å; K568-F571 PolarHBondContact O-N 2.83Å; F571-L574 PolarHBondContact O-N 3.28Å; F571-M575 HydrophobicContact CD1-CG 4.09Å; F571-M575 HydrophobicContact CD1-SD 4.2Å; F571-M575 HydrophobicContact CE1-CG 3.77Å; F571-M575 HydrophobicContact CE1-SD 3.39Å; F571-M575 WeakPolarHBondContact CE1-SD 3.3Å; F571-M575 HydrophobicContact CZ-CG 4.04Å; F571-M575 HydrophobicContact CZ-SD 3.73Å; F571-M575 WeakPolarHBondContact O-CG 3.36Å; F571-M575 PolarHBondContact O-N 3.06Å
572Q91.3Very high82.4Confident121 Ų121103.9 Ų103.957%0.56552%0.521SS*.Hα-helixtrans-61-45.1176.4-176.861.269.700112.2K568 K569 M575 E576K568-Q572 VanDerWaalsContact O-CB 3.22Å; K568-Q572 WeakPolarHBondContact O-CB 3.49Å; K568-Q572 PolarHBondContact O-N 3.33Å; K569-Q572 PolarHBondContact O-N 3.18Å; Q572-M575 PolarHBondContact O-N 3.45Å; Q572-E576 VanDerWaalsContact O-CB 3.3Å; Q572-E576 WeakPolarHBondContact O-CB 3.43Å; Q572-E576 PolarHBondContact O-N 3.38Å
573A86.6Confident80.2Confident46 Ų46106 Ų10638%0.3854%0.535SS..Hα-helixtrans-66.8-37.7177.600000112K569 V570 E576 T577K569-A573 WeakPolarHBondContact O-CB 3.43Å; K569-A573 PolarHBondContact O-N 2.97Å; V570-A573 PolarHBondContact O-N 3.13Å; A573-E576 PolarHBondContact O-N 2.87Å; A573-T577 WeakPolarHBondContact O-CG2 3.36Å; A573-T577 PolarHBondContact O-N 2.88Å; A573-T577 PolarHBondContact O-OG1 3.23Å; A573-T577 VanDerWaalsContact O-OG1 3.12Å
574L88.6Confident77.9Confident83 Ų83109 Ų10944%0.43555%0.548SS..Hα-helixtrans-64-46.5173.4-71.8167.2000111V570 F571 E576 T577 F578V570-L574 HydrophobicContact CG1-CD1 3.88Å; V570-L574 HydrophobicContact CG1-CG 4.48Å; V570-L574 WeakPolarHBondContact O-CB 3.32Å; V570-L574 VanDerWaalsContact O-CG 3.23Å; V570-L574 WeakPolarHBondContact O-CG 3.36Å; V570-L574 PolarHBondContact O-N 3.43Å; F571-L574 PolarHBondContact O-N 3.28Å; L574-E576 PolarHBondContact O-N 2.82Å; L574-T577 WeakPolarHBondContact CA-OG1 3.42Å; L574-T577 PolarHBondContact O-N 3.43Å; L574-T577 PolarHBondContact O-OG1 2.69Å; L574-F578 HydrophobicContact CB-CD2 4.46Å; L574-F578 HydrophobicContact CD2-CE2 4.06Å; L574-F578 WeakPolarHBondContact O-CB 3.36Å; L574-F578 WeakPolarHBondContact O-CD2 3.4Å; L574-F578 PolarHBondContact O-N 3.42Å
575M87Confident75.5Confident76 Ų76109.6 Ų109.637%0.37456%0.56SS.*Hα-helixtrans-60.2-44.8174.7-68.4-14374.300111.5F571 Q572 T577 F578 D579F571-M575 HydrophobicContact CD1-CG 4.09Å; F571-M575 HydrophobicContact CD1-SD 4.2Å; F571-M575 HydrophobicContact CE1-CG 3.77Å; F571-M575 HydrophobicContact CE1-SD 3.39Å; F571-M575 WeakPolarHBondContact CE1-SD 3.3Å; F571-M575 HydrophobicContact CZ-CG 4.04Å; F571-M575 HydrophobicContact CZ-SD 3.73Å; F571-M575 WeakPolarHBondContact O-CG 3.36Å; F571-M575 PolarHBondContact O-N 3.06Å; Q572-M575 PolarHBondContact O-N 3.45Å; M575-T577 PolarHBondContact O-N 2.81Å; M575-F578 PolarHBondContact O-N 2.83Å; M575-F578 VanDerWaalsContact O-N 3.12Å; M575-D579 VanDerWaalsContact CE-OD2 3.31Å; M575-D579 WeakPolarHBondContact CE-OD2 3.17Å; M575-D579 WeakPolarHBondContact O-CB 3.43Å; M575-D579 PolarHBondContact O-N 2.8Å
576E84.4Confident73.1Confident130 Ų130109.5 Ų109.561%0.60757%0.567SS**Hα-helixtrans-54.5-49.9173.7-170.9173.9178.200111.2Q572 A573 L574 F578 D580Q572-E576 VanDerWaalsContact O-CB 3.3Å; Q572-E576 WeakPolarHBondContact O-CB 3.43Å; Q572-E576 PolarHBondContact O-N 3.38Å; A573-E576 PolarHBondContact O-N 2.87Å; L574-E576 PolarHBondContact O-N 2.82Å; E576-F578 VanDerWaalsContact C-N 3.29Å; E576-F578 PolarHBondContact O-N 2.82Å; E576-D580 WeakPolarHBondContact O-CB 3.44Å; E576-D580 PolarHBondContact O-N 3.32Å; E576-D580 VanDerWaalsContact O-N 3.1Å
577T75.5Confident71.1Confident84 Ų84111.4 Ų111.452%0.51559%0.59SS.*Hα-helixtrans-69.5-14.717856.60000115.9A573 L574 M575A573-T577 WeakPolarHBondContact O-CG2 3.36Å; A573-T577 PolarHBondContact O-N 2.88Å; A573-T577 PolarHBondContact O-OG1 3.23Å; A573-T577 VanDerWaalsContact O-OG1 3.12Å; L574-T577 WeakPolarHBondContact CA-OG1 3.42Å; L574-T577 PolarHBondContact O-N 3.43Å; L574-T577 PolarHBondContact O-OG1 2.69Å; M575-T577 PolarHBondContact O-N 2.81Å
578F67.3Low68.8Low153 Ų153113.5 Ų113.567%0.67160%0.599SS**Hα-helixtrans-111.4-23.9-178-70.6-52.5000114.5L574 M575 E576L574-F578 HydrophobicContact CB-CD2 4.46Å; L574-F578 HydrophobicContact CD2-CE2 4.06Å; L574-F578 WeakPolarHBondContact O-CB 3.36Å; L574-F578 WeakPolarHBondContact O-CD2 3.4Å; L574-F578 PolarHBondContact O-N 3.42Å; M575-F578 PolarHBondContact O-N 2.83Å; M575-F578 VanDerWaalsContact O-N 3.12Å; E576-F578 VanDerWaalsContact C-N 3.29Å; E576-F578 PolarHBondContact O-N 2.82Å
579D62.7Low66.2Low117 Ų117114.8 Ų114.863%0.62661%0.607SS**Hα-helixtrans-92-24.6173.3-75.8-26.1000112.6M575 A581M575-D579 VanDerWaalsContact CE-OD2 3.31Å; M575-D579 WeakPolarHBondContact CE-OD2 3.17Å; M575-D579 WeakPolarHBondContact O-CB 3.43Å; M575-D579 PolarHBondContact O-N 2.8Å; D579-A581 PolarHBondContact O-N 3.07Å
580D50Low64.1Low84 Ų84115.3 Ų115.345%0.44962%0.617SS.*  trans-74.278.2174.6-151.668.9000110.8E576 T582 D583E576-D580 WeakPolarHBondContact O-CB 3.44Å; E576-D580 PolarHBondContact O-N 3.32Å; E576-D580 VanDerWaalsContact O-N 3.1Å; D580-T582 PolarHBondContact O-N 3.33Å; D580-T582 PolarHBondContact OD1-OG1 3.47Å; D580-T582 VanDerWaalsContact OD2-CB 3.29Å; D580-T582 WeakPolarHBondContact OD2-CB 3.3Å; D580-T582 PolarHBondContact OD2-OG1 3.08Å; D580-D583 PolarHBondContact O-N 3.27Å
581A50.3Low61.8Low75 Ų75119.3 Ų119.362%0.6263%0.632SS**THydrogen-bonded Turntrans-59.8-1.2177.800000114D579D579-A581 PolarHBondContact O-N 3.07Å
582T51.5Low59.2Low101 Ų101121.2 Ų121.262%0.6264%0.642SS**THydrogen-bonded Turntrans-81.3-27.4173.32.70000114D580 F584D580-T582 PolarHBondContact O-N 3.33Å; D580-T582 PolarHBondContact OD1-OG1 3.47Å; D580-T582 VanDerWaalsContact OD2-CB 3.29Å; D580-T582 WeakPolarHBondContact OD2-CB 3.3Å; D580-T582 PolarHBondContact OD2-OG1 3.08Å; T582-F584 VanDerWaalsContact C-N 3.31Å
583D46.4Very low56.6Low136 Ų136124 Ų12473%0.72765%0.652SS**SBendtrans-83.9-7.3178.8-155.340000113.1D580 P585D580-D583 PolarHBondContact O-N 3.27Å; D583-P585 WeakPolarHBondContact O-CD 3.44Å
584F46.6Very low54Low147 Ų147128.7 Ų128.765%0.64567%0.671SS**SBendtrans-67.7120.2156.1-77.6-83.7000109.1T582 T586T582-F584 VanDerWaalsContact C-N 3.31Å; F584-T586 PolarHBondContact O-N 2.87Å
585P43.8Very low52Low119 Ų119132.1 Ų132.177%0.77369%0.688SS**  trans-62103.2-172.922.5-33.4000111.2D583 S587D583-P585 WeakPolarHBondContact O-CD 3.44Å; P585-S587 PolarHBondContact O-N 3.45Å
586T44.4Very low49.7Very low108 Ų108135.8 Ų135.866%0.66371%0.709SS**  trans-60.8125.8-177.6-66.20000108.8F584 K588 E589F584-T586 PolarHBondContact O-N 2.87Å; T586-K588 PolarHBondContact O-N 3.05Å; T586-E589 PolarHBondContact O-N 2.85Å
587S50.6Low47.6Very low117 Ų117134.7 Ų134.782%0.81871%0.712SS**THydrogen-bonded Turntrans-70.425.8-142.858.70000118.9P585P585-S587 PolarHBondContact O-N 3.45Å
588K46.8Very low46Very low198 Ų198136.2 Ų136.286%0.86172%0.723SS**THydrogen-bonded Turntrans-140.4-9174.9-71.9-165.3174.6-177.10116.4T586 L590T586-K588 PolarHBondContact O-N 3.05Å; K588-L590 PolarHBondContact O-N 2.59Å
589E38.7Very low45.1Very low161 Ų161132 Ų13275%0.75271%0.712SS**  trans-86.2100.6176.2-170.6143.1-148.200110.7T586 Q591T586-E589 PolarHBondContact O-N 2.85Å; E589-Q591 HydrophobicContact CG-CG 4.14Å; E589-Q591 PolarHBondContact O-N 2.8Å
590L49.8Very low44.5Very low170 Ų170129.8 Ų129.889%0.8972%0.718SS**  trans-71.477.7165.7-78.2167.4000109K588 H592K588-L590 PolarHBondContact O-N 2.59Å; L590-H592 PolarHBondContact O-N 3.47Å
591Q44.4Very low44.7Very low147 Ų147132.7 Ų132.769%0.68773%0.727SS**  trans-58.8126.9159.4-73.4-151.924.700108.3E589 F593E589-Q591 HydrophobicContact CG-CG 4.14Å; E589-Q591 PolarHBondContact O-N 2.8Å; Q591-F593 PolarHBondContact O-N 3.35Å
592H36.5Very low45.1Very low173 Ų173136.3 Ų136.380%0.80173%0.731SS**  trans-73.593.3179.4-131.2-88.5000107.8L590 N594L590-H592 PolarHBondContact O-N 3.47Å; H592-N594 PolarHBondContact O-N 3.28Å
593F35.9Very low45.1Very low178 Ų178139.6 Ų139.678%0.78174%0.738SS**  trans-53.4125.4172.2-81.9-86.3000109.1Q591 I595Q591-F593 PolarHBondContact O-N 3.35Å; F593-I595 PolarHBondContact O-N 2.84Å
594N33.4Very low45.9Very low145 Ų145136.4 Ų136.478%0.77572%0.721SS**  trans-61.9138.6175.5-85.3-50.4000109.3H592 N596H592-N594 PolarHBondContact O-N 3.28Å; N594-N596 PolarHBondContact O-N 3.32Å
595I45.7Very low47.2Very low155 Ų155132.8 Ų132.880%0.79571%0.711SS**THydrogen-bonded Turntrans-693.8-153.1-67.5164.4000114.7F593F593-I595 PolarHBondContact O-N 2.84Å
596N40Very low48.6Very low154 Ų154132.6 Ų132.682%0.82470%0.703SS**THydrogen-bonded Turntrans-113.32.7-168.3-66.1-11000115.4N594N594-N596 PolarHBondContact O-N 3.32Å
597T38.8Very low50Low106 Ų106131 Ų13165%0.6570%0.695SS**SBendtrans-89.7123.2171.5-370000109.6S599T597-S599 PolarHBondContact O-N 3.19Å
598P42Very low51.4Low116 Ų116129.9 Ų129.975%0.75368%0.677SS**  trans-65.7128.2179.626.4-33.6000110.8G600P598-G600 PolarHBondContact O-N 3.14Å
599S49.4Very low53Low64 Ų64123.2 Ų123.245%0.44865%0.65SS.*  trans-76.392.3-177.21740000110.9T597 F601 E602T597-S599 PolarHBondContact O-N 3.19Å; S599-F601 PolarHBondContact O-N 3.07Å; S599-E602 WeakPolarHBondContact O-CG 3.46Å; S599-E602 PolarHBondContact O-N 2.81Å
600G49.6Very low54.8Low72 Ų72122.6 Ų122.674%0.74264%0.641SS**THydrogen-bonded Turntrans-60.53.5173.700000115.5P598P598-G600 PolarHBondContact O-N 3.14Å
601F53.6Low56.6Low145 Ų145119.1 Ų119.164%0.63662%0.623SS**THydrogen-bonded Turntrans-106.73-179.5-67.9-76.4000114.1S599 H603 I604S599-F601 PolarHBondContact O-N 3.07Å; F601-H603 PolarHBondContact O-N 3.07Å; F601-I604 HydrophobicContact CD1-CD1 3.62Å; F601-I604 HydrophobicContact CD1-CG1 4.09Å; F601-I604 HydrophobicContact CE1-CD1 3.89Å; F601-I604 PolarHBondContact O-N 2.85Å; F601-I604 VanDerWaalsContact O-N 3.13Å
602E58.7Low58.6Low150 Ų150115.9 Ų115.970%0.70161%0.613SS**THydrogen-bonded Turntrans-60.9-5.1178.5-76.5175.4-155.100115.1S599S599-E602 WeakPolarHBondContact O-CG 3.46Å; S599-E602 PolarHBondContact O-N 2.81Å
603H53Low60.9Low170 Ų170115.7 Ų115.779%0.78761%0.605SS**THydrogen-bonded Turntrans-118.9-5.6178.5-60.5-10.7000114F601 T605F601-H603 PolarHBondContact O-N 3.07Å; H603-T605 PolarHBondContact O-N 2.91Å
604I62.3Low63.2Low70 Ų70112.8 Ų112.836%0.35959%0.594SS.*  trans-85.3113176.6-49.5-160.6000109.2F601 E608 L609F601-I604 HydrophobicContact CD1-CD1 3.62Å; F601-I604 HydrophobicContact CD1-CG1 4.09Å; F601-I604 HydrophobicContact CE1-CD1 3.89Å; F601-I604 PolarHBondContact O-N 2.85Å; F601-I604 VanDerWaalsContact O-N 3.13Å; I604-E608 HydrophobicContact CG2-CB 3.65Å; I604-L609 HydrophobicContact CB-CD2 4.49Å; I604-L609 HydrophobicContact CG2-CD2 3.85Å; I604-L609 HydrophobicContact CG2-CG 3.86Å
605T74Confident65.9Low70 Ų70110 Ų11043%0.42958%0.579SS.*  trans-77.8157-176.467.40000112.1H603 P607 E608 L609H603-T605 PolarHBondContact O-N 2.91Å; T605-P607 VanDerWaalsContact C-CD 3.47Å; T605-P607 VanDerWaalsContact C-N 3.35Å; T605-P607 WeakPolarHBondContact OG1-CD 3.29Å; T605-P607 WeakPolarHBondContact OG1-CG 3.14Å; T605-E608 VanDerWaalsContact CB-OE2 3.3Å; T605-E608 WeakPolarHBondContact CB-OE2 3.46Å; T605-E608 WeakPolarHBondContact CG2-OE2 3.47Å; T605-E608 PolarHBondContact N-OE2 2.89Å; T605-E608 WeakPolarHBondContact O-CA 3.44Å; T605-E608 WeakPolarHBondContact O-CB 3.47Å; T605-E608 PolarHBondContact O-N 2.9Å; T605-E608 PolarHBondContact OG1-OE2 3.24Å; T605-L609 PolarHBondContact O-N 3.25Å
606D73.5Confident67.6Low115 Ų115106.7 Ų106.762%0.61557%0.566SS**Hα-helixtrans-48-41.6174.8-95.1-28.7000115.7R610D606-R610 WeakPolarHBondContact O-CB 3.38Å; D606-R610 PolarHBondContact O-N 3.28Å
607P73.3Confident69.5Low76 Ų76103.1 Ų103.149%0.49455%0.553SS.*Hα-helixtrans-68.2-29.3173.825.6-34.2000113.8T605 R610 L611T605-P607 VanDerWaalsContact C-CD 3.47Å; T605-P607 VanDerWaalsContact C-N 3.35Å; T605-P607 WeakPolarHBondContact OG1-CD 3.29Å; T605-P607 WeakPolarHBondContact OG1-CG 3.14Å; P607-R610 WeakPolarHBondContact O-CB 3.39Å; P607-R610 PolarHBondContact O-N 2.93Å; P607-L611 WeakPolarHBondContact O-CB 3.29Å; P607-L611 PolarHBondContact O-N 2.92Å
608E79.6Confident71.3Confident93 Ų93103.9 Ų103.944%0.43555%0.55SS.*Hα-helixtrans-74.7-41.9174.6-67.9161.8132.600110.9I604 T605 R610 L611 V612I604-E608 HydrophobicContact CG2-CB 3.65Å; T605-E608 VanDerWaalsContact CB-OE2 3.3Å; T605-E608 WeakPolarHBondContact CB-OE2 3.46Å; T605-E608 WeakPolarHBondContact CG2-OE2 3.47Å; T605-E608 PolarHBondContact N-OE2 2.89Å; T605-E608 WeakPolarHBondContact O-CA 3.44Å; T605-E608 WeakPolarHBondContact O-CB 3.47Å; T605-E608 PolarHBondContact O-N 2.9Å; T605-E608 PolarHBondContact OG1-OE2 3.24Å; E608-R610 PolarHBondContact O-N 3.25Å; E608-L611 PolarHBondContact O-N 2.95Å; E608-L611 VanDerWaalsContact O-N 3.13Å; E608-V612 WeakPolarHBondContact O-CG2 3.29Å; E608-V612 PolarHBondContact O-N 3.15Å
609L79.9Confident73Confident58 Ų58102.8 Ų102.830%0.30454%0.541SS..Hα-helixtrans-60.4-33.7168.9-69.8177.8000112I604 T605 R613I604-L609 HydrophobicContact CB-CD2 4.49Å; I604-L609 HydrophobicContact CG2-CD2 3.85Å; I604-L609 HydrophobicContact CG2-CG 3.86Å; T605-L609 PolarHBondContact O-N 3.25Å; L609-R613 WeakPolarHBondContact O-CB 3.28Å; L609-R613 VanDerWaalsContact O-CD 3.29Å; L609-R613 WeakPolarHBondContact O-CD 3.29Å; L609-R613 WeakPolarHBondContact O-CG 3.39Å; L609-R613 PolarHBondContact O-N 3.11Å
610R78.2Confident74.1Confident147 Ų147102.9 Ų102.956%0.55554%0.542SS*.Hα-helixtrans-67.4-45171.8-172-177.9-59.6109.37.7111.5D606 P607 E608 R613 E614D606-R610 WeakPolarHBondContact O-CB 3.38Å; D606-R610 PolarHBondContact O-N 3.28Å; P607-R610 WeakPolarHBondContact O-CB 3.39Å; P607-R610 PolarHBondContact O-N 2.93Å; E608-R610 PolarHBondContact O-N 3.25Å; R610-R613 PolarHBondContact O-N 2.76Å; R610-E614 WeakPolarHBondContact O-CB 3.45Å; R610-E614 PolarHBondContact O-N 3.36Å
611L86.9Confident74.7Confident97 Ų97102 Ų10251%0.50853%0.528SS..Hα-helixtrans-61.8-43.4177.2-179.562.9000111.5P607 E608 R613 E614 L615P607-L611 WeakPolarHBondContact O-CB 3.29Å; P607-L611 PolarHBondContact O-N 2.92Å; E608-L611 PolarHBondContact O-N 2.95Å; E608-L611 VanDerWaalsContact O-N 3.13Å; L611-R613 PolarHBondContact O-N 3.1Å; L611-E614 PolarHBondContact O-N 3.01Å; L611-L615 HydrophobicContact CD1-CD1 4.29Å; L611-L615 HydrophobicContact CD1-CG 4.31Å; L611-L615 HydrophobicContact CG-CD1 4.02Å; L611-L615 HydrophobicContact CG-CG 4.48Å; L611-L615 WeakPolarHBondContact O-CB 3.26Å; L611-L615 VanDerWaalsContact O-CG 3.29Å; L611-L615 WeakPolarHBondContact O-CG 3.4Å; L611-L615 PolarHBondContact O-N 3.36Å
612V85.9Confident75.1Confident80 Ų8097.6 Ų97.649%0.48552%0.518SS..Hα-helixtrans-60.9-44.5174171.50000110.9E608 E614 L615 V616E608-V612 WeakPolarHBondContact O-CG2 3.29Å; E608-V612 PolarHBondContact O-N 3.15Å; V612-E614 VanDerWaalsContact C-N 3.34Å; V612-E614 PolarHBondContact O-N 3.05Å; V612-L615 PolarHBondContact O-N 2.7Å; V612-V616 HydrophobicContact CG1-CG2 4.43Å; V612-V616 WeakPolarHBondContact O-CB 3.34Å; V612-V616 VanDerWaalsContact O-CG2 3.28Å; V612-V616 WeakPolarHBondContact O-CG2 3.37Å; V612-V616 PolarHBondContact O-N 3.28Å
613R86.1Confident75.2Confident168 Ų16898.5 Ų98.563%0.63452%0.519SS*.Hα-helixtrans-63.4-37.4175.4-70.9163.8-171167.86.3112.5L609 R610 L611 S617L609-R613 WeakPolarHBondContact O-CB 3.28Å; L609-R613 VanDerWaalsContact O-CD 3.29Å; L609-R613 WeakPolarHBondContact O-CD 3.29Å; L609-R613 WeakPolarHBondContact O-CG 3.39Å; L609-R613 PolarHBondContact O-N 3.11Å; R610-R613 PolarHBondContact O-N 2.76Å; L611-R613 PolarHBondContact O-N 3.1Å; R613-S617 VanDerWaalsContact O-CB 3.26Å; R613-S617 WeakPolarHBondContact O-CB 3.36Å; R613-S617 PolarHBondContact O-N 3.45Å
614E83.5Confident75.3Confident118 Ų11895.8 Ų95.855%0.55152%0.515SS*.Hα-helixtrans-70.6-42.7177.3-172.7164.1-173.300111.8R610 L611 V612 S617 M618R610-E614 WeakPolarHBondContact O-CB 3.45Å; R610-E614 PolarHBondContact O-N 3.36Å; L611-E614 PolarHBondContact O-N 3.01Å; V612-E614 VanDerWaalsContact C-N 3.34Å; V612-E614 PolarHBondContact O-N 3.05Å; E614-S617 PolarHBondContact O-N 2.91Å; E614-M618 WeakPolarHBondContact O-CB 3.41Å; E614-M618 PolarHBondContact O-N 3.33Å
615L89.1Confident74.8Confident86 Ų8697.3 Ų97.345%0.4553%0.527SS..Hα-helixtrans-62.3-46.4172.7-72.9169.4000111.7L611 V612 S617 M618 V619L611-L615 HydrophobicContact CD1-CD1 4.29Å; L611-L615 HydrophobicContact CD1-CG 4.31Å; L611-L615 HydrophobicContact CG-CD1 4.02Å; L611-L615 HydrophobicContact CG-CG 4.48Å; L611-L615 WeakPolarHBondContact O-CB 3.26Å; L611-L615 VanDerWaalsContact O-CG 3.29Å; L611-L615 WeakPolarHBondContact O-CG 3.4Å; L611-L615 PolarHBondContact O-N 3.36Å; V612-L615 PolarHBondContact O-N 2.7Å; L615-S617 VanDerWaalsContact C-N 3.3Å; L615-S617 PolarHBondContact O-N 3.29Å; L615-M618 PolarHBondContact O-N 3.41Å; L615-V619 WeakPolarHBondContact O-CB 3.38Å; L615-V619 VanDerWaalsContact O-CG2 3.32Å; L615-V619 WeakPolarHBondContact O-CG2 3.44Å; L615-V619 PolarHBondContact O-N 3.13Å
616V81.9Confident73.5Confident86 Ų86101.3 Ų101.352%0.52155%0.545SS..Hα-helixtrans-63-37.1175.2169.50000111.2V612 S620V612-V616 HydrophobicContact CG1-CG2 4.43Å; V612-V616 WeakPolarHBondContact O-CB 3.34Å; V612-V616 VanDerWaalsContact O-CG2 3.28Å; V612-V616 WeakPolarHBondContact O-CG2 3.37Å; V612-V616 PolarHBondContact O-N 3.28Å; V616-S620 VanDerWaalsContact O-CB 3.26Å; V616-S620 WeakPolarHBondContact O-CB 3.26Å; V616-S620 PolarHBondContact O-N 3.48Å; V616-S620 PolarHBondContact O-OG 3.1Å
617S79.4Confident72.1Confident79 Ų79103.1 Ų103.155%0.55255%0.554SS**Hα-helixtrans-66.5-42.8173.8-171.50000112R613 E614 L615 S620 A621R613-S617 VanDerWaalsContact O-CB 3.26Å; R613-S617 WeakPolarHBondContact O-CB 3.36Å; R613-S617 PolarHBondContact O-N 3.45Å; E614-S617 PolarHBondContact O-N 2.91Å; L615-S617 VanDerWaalsContact C-N 3.3Å; L615-S617 PolarHBondContact O-N 3.29Å; S617-S620 PolarHBondContact O-N 3.47Å; S617-A621 WeakPolarHBondContact O-CB 3.45Å; S617-A621 PolarHBondContact O-N 3.29Å
618M76.7Confident70.4Confident122 Ų122106.9 Ų106.960%0.60156%0.558SS**Hα-helixtrans-62.2-44.2173-86.2176.946.500112.7E614 L615 A621 A622E614-M618 WeakPolarHBondContact O-CB 3.41Å; E614-M618 PolarHBondContact O-N 3.33Å; L615-M618 PolarHBondContact O-N 3.41Å; M618-A621 PolarHBondContact O-N 3.14Å; M618-A622 VanDerWaalsContact O-CB 3.29Å; M618-A622 WeakPolarHBondContact O-CB 3.41Å; M618-A622 PolarHBondContact O-N 3.11Å
619V78.8Confident68.4Low93 Ų93107.5 Ų107.556%0.56457%0.57SS**Hα-helixtrans-67.3-38.6177.9169.80000110.9L615 A622 K623L615-V619 WeakPolarHBondContact O-CB 3.38Å; L615-V619 VanDerWaalsContact O-CG2 3.32Å; L615-V619 WeakPolarHBondContact O-CG2 3.44Å; L615-V619 PolarHBondContact O-N 3.13Å; V619-A622 PolarHBondContact O-N 3.41Å; V619-K623 PolarHBondContact O-N 3.35Å
620S71.7Confident66.8Low65 Ų65111.5 Ų111.546%0.45560%0.599SS.*Hα-helixtrans-63.9-45.2173.8-59.20000111.4V616 S617 A622 K623 V624V616-S620 VanDerWaalsContact O-CB 3.26Å; V616-S620 WeakPolarHBondContact O-CB 3.26Å; V616-S620 PolarHBondContact O-N 3.48Å; V616-S620 PolarHBondContact O-OG 3.1Å; S617-S620 PolarHBondContact O-N 3.47Å; S620-A622 VanDerWaalsContact C-N 3.32Å; S620-A622 PolarHBondContact O-N 3.45Å; S620-K623 PolarHBondContact O-N 3.19Å; S620-V624 WeakPolarHBondContact O-CG2 3.32Å; S620-V624 PolarHBondContact O-N 2.99Å; S620-V624 VanDerWaalsContact O-N 3.11Å
621A63.4Low65.1Low55 Ų55107.8 Ų107.846%0.45561%0.606SS.*Hα-helixtrans-62.4-39.5173.300000111.7S617 M618 V624 T625S617-A621 WeakPolarHBondContact O-CB 3.45Å; S617-A621 PolarHBondContact O-N 3.29Å; M618-A621 PolarHBondContact O-N 3.14Å; A621-V624 PolarHBondContact O-N 3.36Å; A621-T625 WeakPolarHBondContact O-CG2 3.5Å; A621-T625 PolarHBondContact O-N 3.07Å; A621-T625 PolarHBondContact O-OG1 3.24Å
622A61.8Low62.9Low51 Ų51111 Ų11142%0.42162%0.619SS.*Hα-helixtrans-63.1-47.617700000112M618 V619 S620 V624 T625 L626M618-A622 VanDerWaalsContact O-CB 3.29Å; M618-A622 WeakPolarHBondContact O-CB 3.41Å; M618-A622 PolarHBondContact O-N 3.11Å; V619-A622 PolarHBondContact O-N 3.41Å; S620-A622 VanDerWaalsContact C-N 3.32Å; S620-A622 PolarHBondContact O-N 3.45Å; A622-V624 VanDerWaalsContact C-N 3.27Å; A622-V624 PolarHBondContact O-N 3.2Å; A622-T625 WeakPolarHBondContact CA-OG1 3.43Å; A622-T625 PolarHBondContact O-N 3.26Å; A622-T625 PolarHBondContact O-OG1 2.75Å; A622-L626 PolarHBondContact O-N 3.16Å; A622-L626 VanDerWaalsContact O-N 3.08Å
623K60.9Low60.8Low169 Ų169111.2 Ų111.274%0.73563%0.629SS**Hα-helixtrans-53.7-43.3172.2-102.2-170.6171.9-174.60111.2V619 S620 L626V619-K623 PolarHBondContact O-N 3.35Å; S620-K623 PolarHBondContact O-N 3.19Å; K623-L626 PolarHBondContact O-N 3.4Å
624V54.1Low58.9Low114 Ų114110.2 Ų110.269%0.69164%0.642SS**Hα-helixtrans-68.6-35.4176.7173.30000112.6S620 A621 A622 L626S620-V624 WeakPolarHBondContact O-CG2 3.32Å; S620-V624 PolarHBondContact O-N 2.99Å; S620-V624 VanDerWaalsContact O-N 3.11Å; A621-V624 PolarHBondContact O-N 3.36Å; A622-V624 VanDerWaalsContact C-N 3.27Å; A622-V624 PolarHBondContact O-N 3.2Å; V624-L626 VanDerWaalsContact C-N 3.35Å
625T53.2Low57Low101 Ų101108.9 Ų108.962%0.6265%0.651SS**Hα-helixtrans-73.6-20.9177.553.20000114.6A621 A622 I627A621-T625 WeakPolarHBondContact O-CG2 3.5Å; A621-T625 PolarHBondContact O-N 3.07Å; A621-T625 PolarHBondContact O-OG1 3.24Å; A622-T625 WeakPolarHBondContact CA-OG1 3.43Å; A622-T625 PolarHBondContact O-N 3.26Å; A622-T625 PolarHBondContact O-OG1 2.75Å; T625-I627 PolarHBondContact O-N 3.3Å
626L45.1Very low55Low155 Ų155112 Ų11281%0.81267%0.666SS**THydrogen-bonded Turntrans-72.6-17.5-177.2-157.666.7000113.1A622 K623 V624 R628A622-L626 PolarHBondContact O-N 3.16Å; A622-L626 VanDerWaalsContact O-N 3.08Å; K623-L626 PolarHBondContact O-N 3.4Å; V624-L626 VanDerWaalsContact C-N 3.35Å; L626-R628 VanDerWaalsContact C-N 3.28Å; L626-R628 PolarHBondContact O-N 3.41Å
627I44.9Very low52.9Low153 Ų153112 Ų11279%0.78568%0.676SS**THydrogen-bonded Turntrans-92.534.8178.3-34.7-177.8000111.8T625T625-I627 PolarHBondContact O-N 3.3Å
628R38Very low51.1Low155 Ų155115.2 Ų115.259%0.58569%0.692SS**SBendtrans-138.1109170.1-166.8176.9-171.1123.21.8111.7L626 E632L626-R628 VanDerWaalsContact C-N 3.28Å; L626-R628 PolarHBondContact O-N 3.41Å; R628-E632 PolarHBondContact NE-O 3.36Å; R628-E632 PolarHBondContact NH2-O 3.48Å
629P37.6Very low49.3Very low105 Ų105113.5 Ų113.568%0.68270%0.698SS**  trans-67.6149.5177.427.9-34.4000111.7G631P629-G631 VanDerWaalsContact C-N 3.25Å; P629-G631 PolarHBondContact O-N 2.94Å
630P45.2Very low47.1Very low143 Ų143114.8 Ų114.893%0.92971%0.711SS**THydrogen-bonded Turntrans-7770.1-178.333-36.5000111.9
631G42.1Very low45.2Very low68 Ų68124 Ų12470%0.70174%0.735SS**THydrogen-bonded Turntrans-134.5-34.2177.900000115.1P629P629-G631 VanDerWaalsContact C-N 3.25Å; P629-G631 PolarHBondContact O-N 2.94Å
632E41.6Very low43.5Very low164 Ų164127.4 Ų127.477%0.76676%0.756SS**  trans-128.582.7-173.9-65.9-173.3172.400111.8R628R628-E632 PolarHBondContact NE-O 3.36Å; R628-E632 PolarHBondContact NH2-O 3.48Å
633A42.3Very low42.1Very low85 Ų85128.1 Ų128.170%0.70277%0.768SS**  trans-126.22.5177.800000114.6
634T45.3Very low40.6Very low148 Ų148128.4 Ų128.491%0.90878%0.776SS**SBendtrans-114.543.7-173.5-35.80000112.4
635A44.3Very low39.5Very low89 Ų89127.2 Ų127.274%0.73678%0.778SS**SBendtrans-150.7-28.3-178.800000116.3
636I46Very low38.8Very low151 Ų151128.7 Ų128.777%0.77479%0.79SS**SBendtrans-131.673.1-168.1-44.4179.9000110.9
637A38.7Very low37.9Very low88 Ų88129.8 Ų129.873%0.72779%0.791SS**  trans-14721.7179.200000114.5
638T41.3Very low37.4Very low145 Ų145128.9 Ų128.989%0.8979%0.792SS**SBendtrans-126.926.8-176.447.10000114.5
639A38.9Very low37.2Very low87 Ų87130.2 Ų130.272%0.71981%0.805SS**SBendtrans-161.7135.5159.400000106.8
640S33.8Very low36.9Very low120 Ų120137.3 Ų137.384%0.83982%0.818SS**  cis-146.1141.216.6-60.20000110.6
641R31.8Very low36.1Very low257 Ų257133.7 Ų133.797%0.9781%0.806SS**  trans-151.684.2171.3-153.7177.2-163-126.34.4114.8
642S27.4Very low35.9Very low127 Ų127136.9 Ų136.989%0.88882%0.815SS**  trans-165.9138.7155.2-169.60000108
643G31.4Very low35.5Very low66 Ų66140.7 Ų140.768%0.6882%0.822SS**  cis151.3107.2-2.900000110.7
644I30.6Very low35Very low175 Ų175143.3 Ų143.390%0.89783%0.83SS**  trans-135.8120.6174-57179.8000108.6
645A30.3Very low34.3Very low89 Ų89143.6 Ų143.674%0.73683%0.825SS**  trans-136.7140.3164.700000107.4
646P37.5Very low33.7Very low132 Ų132148.4 Ų148.486%0.85784%0.835SS**  trans-74.5143.5-173.728.9-34000113.2
647E26.2Very low33.1Very low178 Ų178147.8 Ų147.883%0.83284%0.838SS**  trans-69135.3-176.4172.1-177.3177.600114.6
648V35.3Very low32.7Very low135 Ų135155.5 Ų155.582%0.81885%0.849SS**  trans-140.9102.4154.1-176.50000111.1
649Q34.1Very low32.2Very low182 Ų182157.1 Ų157.185%0.8585%0.846SS**  trans46.9157.2147.9-57.7-169.25.400122.8
650R32Very low31.9Very low255 Ų255159.4 Ų159.496%0.96285%0.851SS**  trans-97.2146.9-171.4-70.5176.7167.2126.6-6113.8
651G27.4Very low31.9Very low66 Ų66160.6 Ų160.668%0.6885%0.846SS**  trans-125.7157.1153.700000111.1
652P38.4Very low31.7Very low135 Ų135156.2 Ų156.288%0.87784%0.837SS**  trans-79.5153.6-168.831.2-35.6000114.7
653R32.5Very low31.9Very low245 Ų245161.4 Ų161.493%0.92584%0.837SS**  trans-86.9148.6174.7-71.8177.7167.9176-5.3112.2
654T32.7Very low31.8Very low140 Ų140163.6 Ų163.686%0.85984%0.837SS**  trans-114.9152.8156.749.70000110.4
655N29.3Very low31.7Very low153 Ų153166.1 Ų166.182%0.81884%0.837SS**  trans-83.1140.4-173.6-65.7-67.5000112.5
656M32.9Very low32Very low191 Ų191170.8 Ų170.894%0.94184%0.84SS**  trans-148.9149.8138.7-80.7-51.1155.500110
657T32.1Very low31.9Very low137 Ų137170.7 Ų170.784%0.8484%0.84SS**  trans-112.9140.1-174.836.80000112.6
658R29.9Very low32.1Very low250 Ų250165.9 Ų165.994%0.94384%0.838SS**  trans-145.4159.5154.6-119.4177.3-168.4-89.1-2.7111.5
659Q32.8Very low31.9Very low179 Ų179166.8 Ų166.884%0.83684%0.844SS**  trans-98.4148.9-151.8-61178.4-0.400113.7
660V32Very low31.8Very low135 Ų135161.7 Ų161.782%0.81884%0.841SS**  trans-85.1130.8166.9177.30000108.9
661I33.2Very low31.7Very low145 Ų145157.9 Ų157.974%0.74483%0.833SS**  trans-116.7110.4160.9-64.5-178.7000108.1
662Q28.3Very low31.7Very low165 Ų165162.8 Ų162.877%0.77184%0.839SS**  trans-82.8133.9172.1-175.4179.812.800109
663R30.9Very low31.4Very low237 Ų237164.1 Ų164.189%0.89484%0.837SS**  trans-118.5144.3158.2-78.1-162.7177.4-159.11.5109.9
664V29.1Very low31.2Very low111 Ų111156.4 Ų156.467%0.67383%0.826SS**  trans-95.7140.1-167.4174.80000110.2
665Y29.5Very low31.2Very low228 Ų228155.9 Ų155.989%0.89483%0.825SS**  trans-132.9142.8146-123-95.6000109.2
666K35.9Very low31.2Very low187 Ų187155.1 Ų155.181%0.81383%0.826SS**  trans-84.9146.2177.1-74.5-176175.8-178.90110.1
667P36.3Very low31Very low130 Ų130151.8 Ų151.884%0.84482%0.821SS**  trans-72.4144.1170.831.5-34.3000111.1
668G29.8Very low31.3Very low77 Ų77150.8 Ų150.879%0.79482%0.817SS**  trans-115.1137.5166.700000109.9
669T30.7Very low31.4Very low155 Ų155143.8 Ų143.895%0.95181%0.813SS**  trans-93.9136.2-172.1-47.20000111.9
670G31.8Very low31.2Very low75 Ų75139.3 Ų139.377%0.77381%0.814SS**  trans-178.7133.6169.400000110.9
671Q30.9Very low31.2Very low174 Ų174136.3 Ų136.381%0.81381%0.811SS**  trans-146.9137.9-173-162.2-170.7-26.500110.6
672E27.7Very low31.2Very low170 Ų170137.3 Ų137.379%0.79482%0.817SS**  trans65.1162.6179.3-46.1-146.3146.100113.8
673I32Very low31.5Very low162 Ų162134.3 Ų134.383%0.83181%0.806SS**  cis-13315621.9-64.3166.6000111.1
674A27.7Very low32Very low84 Ų84131.4 Ų131.469%0.69480%0.8SS**  trans-81.3156.9-175.600000115.3
675P31.6Very low32.7Very low129 Ų129137.3 Ų137.384%0.83881%0.81SS**  trans-98114.4160.434.2-26.6000111.6
676T30.8Very low33Very low137 Ų137134.2 Ų134.284%0.8481%0.808SS**  trans-88.2138.9162.946.20000110
677S28Very low32.9Very low121 Ų121135 Ų13585%0.84681%0.812SS**  trans-116.3112.9176.6-170.30000110.5
678P38.5Very low32.7Very low116 Ų116139.4 Ų139.475%0.75381%0.812SS**  trans-83.2158.3168.234.5-33.1000111
679A32.1Very low32.9Very low103 Ų103143.5 Ų143.585%0.85182%0.815SS**  trans-84.4144.3-178.200000113.5
680G28.7Very low33Very low84 Ų84140.5 Ų140.587%0.86681%0.805SS**  trans80.1105.813900000119.5
681G32.2Very low32.8Very low73 Ų73141.4 Ų141.475%0.75381%0.806SS**  121.5140.2129.900000119.1
682L33.3Very low32.9Very low165 Ų165141.8 Ų141.886%0.86481%0.81SS**  trans79.7145.7154.1-58.2178.2000121.4
683D34.9Very low32.9Very low102 Ų102137 Ų13755%0.54581%0.807SS.*  trans6797.1152.6-63.8-38.2000124.6
684K41.6Very low32.8Very low176 Ų176132.8 Ų132.877%0.76580%0.802SS**  46.7103.6112.3-59.7172.4-164.4122.30118.3
685R42.5Very low33Very low235 Ų235138.7 Ų138.789%0.88781%0.813SS**  trans25.8102.3141.3-54.6-175-162.6177.55.5117.9
686L35.6Very low33.8Very low163 Ų163137.7 Ų137.785%0.85381%0.806SS**  trans-138.592.1142.7-81.1-176.5000110.7R688L686-R688 VanDerWaalsContact C-N 3.34Å; L686-R688 PolarHBondContact O-N 3.27Å; L686-R688 VanDerWaalsContact O-N 3.07Å
687F34.1Very low33.9Very low204 Ų204139.4 Ų139.490%0.89581%0.81SS**  trans-73.890.3161-76.9-78.7000108.7L689F687-L689 PolarHBondContact O-N 3.4Å; F687-L689 VanDerWaalsContact O-N 3.14Å
688R33Very low34Very low222 Ų222136.7 Ų136.784%0.83880%0.802SS**  trans-78.693.3168.6-175.4173-70.2-161.4-0.7109.1L686 A690L686-R688 VanDerWaalsContact C-N 3.34Å; L686-R688 PolarHBondContact O-N 3.27Å; L686-R688 VanDerWaalsContact O-N 3.07Å; R688-A690 PolarHBondContact O-N 3.45Å
689L33.1Very low33.6Very low164 Ų164139.3 Ų139.386%0.85981%0.809SS**  trans-61.2105.5163-71.6169.8000108.6F687 A691F687-L689 PolarHBondContact O-N 3.4Å; F687-L689 VanDerWaalsContact O-N 3.14Å; L689-A691 PolarHBondContact O-N 3.23Å; L689-A691 VanDerWaalsContact O-N 3.15Å
690A33.3Very low33.6Very low91 Ų91142.4 Ų142.475%0.75281%0.811SS**  trans-79.988.3170.700000108.8R688 M692R688-A690 PolarHBondContact O-N 3.45Å; A690-M692 PolarHBondContact O-N 3.46Å
691A27.1Very low33.5Very low95 Ų95144.1 Ų144.179%0.78581%0.809SS**  trans-71.7112.6177.700000110.9L689 G693L689-A691 PolarHBondContact O-N 3.23Å; L689-A691 VanDerWaalsContact O-N 3.15Å; A691-G693 PolarHBondContact O-N 3.35Å
692M33.8Very low33.2Very low181 Ų181144.3 Ų144.389%0.89280%0.803SS**  trans-92.785163.3-70.6-59.8-63.100109.4A690A690-M692 PolarHBondContact O-N 3.46Å
693G28.1Very low32.9Very low71 Ų71142 Ų14273%0.73280%0.796SS**  trans-72.4144.615600000109.3A691A691-G693 PolarHBondContact O-N 3.35Å
694G28.9Very low32.6Very low72 Ų72144.4 Ų144.474%0.74280%0.804SS**  cis120.2145.7300000111.9
695K32.9Very low32Very low209 Ų209142 Ų14291%0.90980%0.796SS**  trans-166.6157.8156.3-109.2162.4-175.4-176.80110.4
696P46.6Very low31.5Very low108 Ų108138.1 Ų138.170%0.70179%0.791SS**  trans-112.9170.3-154.741.7-35000114.6
697N32.9Very low31.2Very low172 Ų172134.8 Ų134.892%0.9277%0.774SS**  trans-142.3150.4134.2-87-42.2000106.4
698G31.3Very low31Very low65 Ų65134.6 Ų134.667%0.6777%0.767SS**  trans-152.3-177.2-175.900000113
699N29.6Very low30.9Very low170 Ų170132.7 Ų132.791%0.90977%0.765SS**  trans-162.6171.7144.8-98.6-26000110.6
700L31.2Very low30.8Very low169 Ų169131.3 Ų131.389%0.88576%0.758SS**  trans-107.1153.1-156-59.5161.3000113.2
701S27.6Very low30.6Very low120 Ų120131 Ų13184%0.83975%0.751SS**  -161.6146.6126.4-161.20000112
702A26.3Very low30.9Very low76 Ų76132.8 Ų132.863%0.62875%0.752SS**  trans-96.1-168.9156.800000108.2
703T27.6Very low30.6Very low117 Ų117131.2 Ų131.272%0.71875%0.747SS**  cis-160.3159.817.2-22.80000110.4
704Q27.6Very low30.6Very low153 Ų153132 Ų13272%0.71574%0.741SS**  trans29.9128148-92.1175.8-83.400123.8
705E29Very low30.7Very low124 Ų124134.5 Ų134.558%0.57974%0.737SS**  76126.1116.4-166.8166.7-16900122.6L707E705-L707 HydrophobicContact CG-CD1 4.01Å
706I32.1Very low30.7Very low155 Ų155133.4 Ų133.480%0.79574%0.735SS**  trans-165.1112.1141.4-98.1149.9000105.6
707L29.3Very low29.7Very low93 Ų93133.6 Ų133.649%0.48774%0.739SS.*  51.8110.496-77.499.9000114E705E705-L707 HydrophobicContact CG-CD1 4.01Å
708R29.4Very low29.7Very low200 Ų200131.3 Ų131.376%0.75573%0.731SS**  84.6143.468.8-83.9-172.3-106.9153.1-2.4112.5
709K31.9Very low29.6Very low181 Ų181133.9 Ų133.979%0.78773%0.734SS**  trans74.8142.7177.7-59.3-53.9-150.9143.70113.9
710D31Very low29.5Very low136 Ų136134.8 Ų134.873%0.72773%0.729SS**  cis-141.7-173.93.3-88.4-48.6000109.2
711S28.8Very low29.4Very low85 Ų85132.9 Ų132.959%0.59473%0.725SS**  cis165.3129.6-41.4-1750000107.6
712V32.4Very low29.3Very low132 Ų132131.3 Ų131.380%0.872%0.718SS**  trans55.6155.6-177.2-92.80000115.7
713D27.6Very low29.4Very low148 Ų148133.8 Ų133.879%0.79172%0.721SS**  cis-140.7-177.624.1-141.5-30.2000114.4
714S28.9Very low29.7Very low87 Ų87136.2 Ų136.261%0.60872%0.724SS**  trans-133.6165.7-166.5-171.60000114.9
715N31.5Very low29.8Very low124 Ų124133.2 Ų133.266%0.66373%0.726SS**  trans108.4154.2147.8-51.6-50.1000120.5
716H32.3Very low30.5Very low186 Ų186132.4 Ų132.486%0.86173%0.731SS**  trans80.6116.2161.6-62.6-62.3000121.3
717S26.3Very low30.4Very low112 Ų112131.7 Ų131.778%0.78373%0.734SS**  trans-90.5-172.8161.9-178.10000110.3
718V31.8Very low30.4Very low124 Ų124130.8 Ų130.875%0.75275%0.747SS**  trans96.688.4164.1-167.90000117.8
719V29.6Very low30.3Very low120 Ų120126.9 Ų126.973%0.72775%0.75SS**  45106.7122.2-1780000119.6
720K28.2Very low31.1Very low188 Ų188123 Ų12382%0.81774%0.744SS**  -179.2134.2109.5-113.9142.2-176.6178.60116.1
721V27.5Very low31.4Very low130 Ų130126.2 Ų126.279%0.78875%0.751SS**  trans38.4119.1132.6-178.60000121
722A26.9Very low31.6Very low86 Ų86125.5 Ų125.571%0.71176%0.757SS**  trans62.4146.9151.500000118
723N28.8Very low31.6Very low129 Ų129124 Ų12469%0.6976%0.759SS**  cis-161.4163.334.7-135.9-11.9000113
724H32Very low31.7Very low168 Ų168121.6 Ų121.678%0.77876%0.759SS**  trans45.4134161-63.4-64.3000123.1
725A30.5Very low31.8Very low90 Ų90124.1 Ų124.174%0.74477%0.771SS**  trans-75.1-177158.400000110.4
726P43.5Very low31.7Very low106 Ų106125 Ų12569%0.68878%0.781SS**  cis-151.6-168.940.743.4-20.7000117.5
727T30.3Very low31.6Very low140 Ų140120.9 Ų120.986%0.85978%0.779SS**  trans67.9139.8162.757.90000118.8
728G30.1Very low31.7Very low74 Ų74119.8 Ų119.876%0.76378%0.777SS**  cis-172.7155.4-4.800000115.8
729S27.5Very low31.7Very low118 Ų118122.2 Ų122.283%0.82578%0.783SS**  trans-65.3165.7158.8-147.30000109.4
730P48.2Very low31.7Very low101 Ų101127.9 Ų127.966%0.65679%0.792SS**  cis-153.8-167.931.940.2-15.6000118.9
731K36.1Very low32.4Very low202 Ų202124 Ų12488%0.87879%0.786SS**  trans94.1139.4166.9-56168.9-177.81750115.8
732G34.5Very low32.5Very low70 Ų70126.3 Ų126.372%0.72279%0.788SS**  cis158.8148.2-10.100000114.4
733A32.8Very low32.6Very low102 Ų102125.8 Ų125.884%0.84379%0.791SS**  trans62.4131.6-177.700000115.5
734A28.8Very low32.7Very low96 Ų96124.7 Ų124.779%0.79379%0.793SS**  cis86.8106.921.400000116.5
735V30.5Very low32.8Very low141 Ų141124.4 Ų124.486%0.85580%0.797SS**  trans-144141.3149.8175.80000107.9
736V30.6Very low32.9Very low142 Ų142128.7 Ų128.786%0.86181%0.805SS**  trans-115.2135.7170.8172.30000108.9
737A28.9Very low32.5Very low100 Ų100130 Ų13083%0.82681%0.806SS**  trans-148.6129165.500000110.6
738A29.5Very low32.8Very low89 Ų89128.1 Ų128.174%0.73680%0.799SS**  trans-120151.2169.400000109
739I31.4Very low32.8Very low174 Ų174133.1 Ų133.189%0.89280%0.8SS**  trans-166152.4159.9-102.9145.8000110.2
740R29.5Very low33.1Very low239 Ų239136.9 Ų136.990%0.90280%0.802SS**  trans-141.5128.6178.9162.9-169.7-127-155.32.5109.6
741P42.3Very low32.2Very low106 Ų106135.2 Ų135.269%0.68880%0.803SS**  trans-144.2134.4134.126.4-5.9000113.1
742Q30.7Very low31.8Very low180 Ų180135.6 Ų135.684%0.84181%0.808SS**  82.1110.987.6-68.9-78.224.300117.5
743G29.1Very low31.7Very low74 Ų74135.1 Ų135.176%0.76380%0.803SS**  trans63.6-176.615000000120.3
744S29.5Very low31.6Very low106 Ų106138.9 Ų138.974%0.74181%0.809SS**  cis-171.2143.7-41.1-160.10000111.4
745L34.2Very low31.8Very low163 Ų163137.6 Ų137.685%0.85381%0.805SS**  trans47.1120.9158.3-67166.6000122
746I33.9Very low32.5Very low179 Ų179136.1 Ų136.192%0.91880%0.799SS**  trans-143.9158.9138.7-44.6177.3000108.8
747N33.2Very low32.5Very low134 Ų134135.3 Ų135.372%0.71779%0.794SS**  trans-134.1148.3-174.8-176.323.7000112.8
748S36.8Very low32.5Very low101 Ų101136.7 Ų136.771%0.70679%0.792SS**  trans24.6139.1158.9-59.20000122.4
749F30.2Very low32.5Very low178 Ų178136.5 Ų136.578%0.78179%0.791SS**  trans-145.7147.9165.3-117.9-85.5000113.8
750F33.9Very low32.5Very low197 Ų197138.7 Ų138.786%0.86479%0.794SS**  trans70.4149173.1-60.4-67.8000120.1
751G29.4Very low32.3Very low67 Ų67131.1 Ų131.169%0.69179%0.791SS**  trans171.4-172-178.900000112.7
752Q29.2Very low31.7Very low210 Ų210131 Ų13198%0.98180%0.798SS**  trans66.8148.4-176.1-58.4-172.4-2200115.9
753G31.3Very low31.6Very low60 Ų60126.8 Ų126.862%0.61980%0.795SS**  cis163.1158-9.600000112.6
754N30.1Very low32Very low181 Ų181129 Ų12997%0.96880%0.798SS**  trans170.5153.5149-89-27.8000112.4
755G32.7Very low32.1Very low69 Ų69133.5 Ų133.571%0.71181%0.807SS**  trans-114.2-149.4174.800000112.1
756P45.8Very low31.8Very low110 Ų110132.5 Ų132.571%0.71480%0.803SS**  cis-142.5178.412.743.1-24.7000117.2
757T31.4Very low31.6Very low124 Ų124131 Ų13176%0.76180%0.795SS**  trans61.8151.115648.10000119.2
758T28.6Very low31.4Very low129 Ų129136 Ų13679%0.79180%0.804SS**  cis-161.3161.3-1.3150000108.8
759A29Very low31Very low86 Ų86135.4 Ų135.471%0.71181%0.805SS**  cis-178.5138.6-3300000108.9
760K31Very low31.1Very low219 Ų219135.2 Ų135.295%0.95281%0.809SS**  trans-160.8126.9156.5-118.5179.2-175.9-179.80111.9
761G26.8Very low31.1Very low81 Ų81130.5 Ų130.584%0.83580%0.801SS**  trans8250.4151.200000119.4
762A28.4Very low31.3Very low102 Ų102138.2 Ų138.284%0.84381%0.809SS**  trans-87165.8146.700000108.7
763A29Very low31.8Very low93 Ų93139.8 Ų139.877%0.76981%0.806SS**  cis-148.1-1785.400000110.9
764S38.7Very low31.8Very low119 Ų119147.7 Ų147.783%0.83282%0.818SS**  trans-67139.9164.154.20000111.9
765E30.2Very low31.9Very low201 Ų201143.9 Ų143.994%0.93981%0.806SS**  trans-114.6161167.5-149.8170-132.800111.2
766N29.1Very low31.8Very low142 Ų142146.6 Ų146.676%0.75981%0.809SS**  trans-134.7150.9-155-149.7-10.5000112.1
767I27.9Very low31Very low148 Ų148147.4 Ų147.476%0.75982%0.815SS**  trans61.6110.7164.8-50.5161.6000117.6
768R30.8Very low30.9Very low239 Ų239145 Ų14590%0.90282%0.815SS**  -151.4130.5126.6-176.3157.4-81.1-121.30.1111.8
769A28.4Very low30.9Very low88 Ų88144.9 Ų144.973%0.72782%0.819SS**  trans-102.1136178.100000112.3
770M32Very low30.8Very low174 Ų174146.1 Ų146.186%0.85782%0.823SS**  trans-161.4150.4162.6-78.1-55.1-119.700107.3
771S32.4Very low30.7Very low99 Ų99142.8 Ų142.869%0.69282%0.816SS**  cis-154.8159.8-22.9-171.10000109.6
772R35Very low31.5Very low229 Ų229144.1 Ų144.186%0.86481%0.81SS**  trans-42139.2-176.2-53.6165.1180-143.3-2.3115.8
773R40.2Very low32Very low243 Ų243145.7 Ų145.792%0.91781%0.811SS**  -170.1154.8107.5-99.9163.5-166.1-97.42.5112.4
774Y31.4Very low32Very low225 Ų225148.3 Ų148.388%0.88281%0.812SS**  trans-111.1158.3178.5-84.1-93000111
775S30.9Very low31.6Very low101 Ų101147.1 Ų147.171%0.70681%0.81SS**  trans78.7119.6143.4-69.50000122.5
776V31.4Very low31.6Very low127 Ų127146 Ų14677%0.7781%0.805SS**  86.7129.2120.9172.80000120.2
777C28.9Very low31.5Very low126 Ų126147 Ų14785%0.85181%0.81SS**  trans49118.6158.1-69.70000122
778G28Very low31.6Very low73 Ų73143.8 Ų143.875%0.75381%0.805SS**  98122.9110.100000119.7
779S28.9Very low31.6Very low127 Ų127137.5 Ų137.589%0.88880%0.798SS**  trans54106.4148.5173.70000120.1
780S26.6Very low31.8Very low113 Ų113142.6 Ų142.679%0.7981%0.807SS**  trans-160.1159.7131.768.10000113.4
781N28.9Very low31.7Very low149 Ų149138.2 Ų138.280%0.79781%0.806SS**  trans-78.7-154.1164.1-64-27.2000110.2
782P45.3Very low31.5Very low108 Ų108136.7 Ų136.770%0.70180%0.796SS**  -109.4176.8-96.337.2-22.3000112.5N784P782-N784 PolarHBondContact O-N 3.14Å
783P38.4Very low31.5Very low135 Ų135129.7 Ų129.788%0.87779%0.787SS**  trans-63131.816827.1-35.1000111.2
784N28.8Very low31.1Very low148 Ų148122.1 Ų122.179%0.79176%0.764SS**  trans-113.4132.4176.7-176.516.7000109.7P782P782-N784 PolarHBondContact O-N 3.14Å
785A30.6Very low31.1Very low94 Ų94115 Ų11578%0.77776%0.759SS**  trans-128.3132.1170.300000108.5
786Q29.8Very low31.2Very low179 Ų179115.4 Ų115.484%0.83676%0.762SS**  trans-80.7128.1-168-60166.5-83.800111.9
787N28.1Very low31.2Very low163 Ų163115 Ų11587%0.87276%0.76SS**  -167.7159.2125-112-35.5000115.2
788A29.7Very low31.4Very low80 Ų80115.7 Ų115.766%0.66175%0.754SS**  trans46.797.8153.400000121
789S30.3Very low31.5Very low107 Ų107118.9 Ų118.975%0.74875%0.754SS**  78.3144.8120.877.80000123.2
790Q31.8Very low31.5Very low195 Ų195118.5 Ų118.591%0.91175%0.751SS**  trans56.5120.4155.1-65.4-179.61500122.1
791G30.1Very low31.9Very low82 Ų82121.4 Ų121.485%0.84576%0.758SS**  trans124135.513100000119.5
792S29.1Very low32.1Very low67 Ų67119.1 Ų119.147%0.46976%0.759SS.*  trans71.8-165.8163.5-65.40000115.7Q391 R392Q391-S792 PolarHBondContact OE1-OG 3.03Å; R392-S792 PolarHBondContact NH2-O 3.49Å; R392-S792 PolarHBondContact NH2-OG 3.32Å
793A34.2Very low31.5Very low82 Ų82119 Ų11968%0.67876%0.761SS**  cis-150.5162.5-11.200000110.2Q391Q391-A793 PolarHBondContact NE2-O 2.88Å
794N32.1Very low31.7Very low83 Ų83117.9 Ų117.944%0.44476%0.763SS.*  trans-151.9154.6168.3-80.543.2000106.8Q391 R392Q391-N794 PolarHBondContact NE2-OD1 3.22Å; R392-N794 PolarHBondContact N-ND2 3.32Å
795G30.4Very low32.2Very low75 Ų75118.5 Ų118.577%0.77376%0.763SS**  trans140.9125.614300000114.8
796S33.2Very low32.7Very low110 Ų110122.1 Ų122.177%0.76976%0.764SS**  trans-116.6132160.3170.90000107.3
797T31.8Very low33Very low119 Ų119117.9 Ų117.973%0.7376%0.76SS**  178.6139.7127.230.10000113.4
798I33.9Very low33.5Very low140 Ų140115.1 Ų115.172%0.71875%0.753SS**  trans70.8130.1138.4-65166.5000120.8
799N29.3Very low33.8Very low141 Ų141118 Ų11875%0.75476%0.755SS**  trans28.9132.6154.9-57.9-6.6000121.9
800S29.3Very low34.4Very low119 Ų119121.5 Ų121.583%0.83276%0.764SS**  172.4157.6107.3-76.20000113
801N34.6Very low34.8Very low174 Ų174120.8 Ų120.893%0.9376%0.758SS**  trans-60.5142.1-176.6-58.7-50.7000114.3
802A33.3Very low35.1Very low100 Ų100127.1 Ų127.183%0.82676%0.756SS**  trans-146.6129.6162.600000113
803S33.3Very low35.4Very low106 Ų106134.3 Ų134.374%0.74177%0.773SS**  trans4.7126.4164.6-1670000120.8M805S803-M805 PolarHBondContact O-N 3.4Å; S803-M805 PolarHBondContact OG-N 3.45Å
804A41.4Very low35.2Very low111 Ų111138.9 Ų138.992%0.91779%0.786SS**SBendtrans-87.457.616500000112.8
805M40Very low35.5Very low162 Ų162142.4 Ų142.480%0.79880%0.803SS**  trans-152.825.4175.8-133.4-177.7-14900119.2S803S803-M805 PolarHBondContact O-N 3.4Å; S803-M805 PolarHBondContact OG-N 3.45Å
806E40.4Very low35.6Very low169 Ų169143.6 Ų143.679%0.7981%0.805SS**SBendtrans-136.944.6-177.3-146.9164-128.400116.8
807A37.7Very low35.7Very low91 Ų91143.5 Ų143.575%0.75281%0.811SS**SBendtrans-128.9-4.9169.500000114.7M809A807-M809 PolarHBondContact O-N 3.25Å
808S37.9Very low35.7Very low105 Ų105141 Ų14173%0.73481%0.809SS**THydrogen-bonded Turntrans-70.1-7.6177.7490000114.2
809M36.5Very low35.8Very low141 Ų141143.7 Ų143.770%0.69582%0.818SS**THydrogen-bonded Turntrans-96.8-10-173.2-64.2-149.5-70.300115.7A807 K811A807-M809 PolarHBondContact O-N 3.25Å; M809-K811 PolarHBondContact O-N 3.2Å
810L42.6Very low36Very low180 Ų180140.4 Ų140.494%0.94282%0.817SS**THydrogen-bonded Turntrans-73.523.9-179.7-130.883.2000114.7
811K38.9Very low36Very low180 Ų180142.6 Ų142.678%0.78382%0.816SS**THydrogen-bonded Turntrans-131.439.6179.8-149.7170.8-172.9174.40113.5M809M809-K811 PolarHBondContact O-N 3.2Å
812R38Very low36.1Very low214 Ų214140.1 Ų140.181%0.80881%0.807SS**SBendtrans-168.9124.6147.7-108.5154.5-70.4-168.86.4114.4
813R34.7Very low36.8Very low218 Ų218140.7 Ų140.782%0.82380%0.803SS**  trans72.399.3151.8-61175.1177.3168.4-2.6120
814L30.3Very low37.6Very low179 Ų179140.3 Ų140.394%0.93780%0.798SS**  -100.2124121.7-78.7168000107.7
815I37.2Very low37.2Very low157 Ų157141 Ų14181%0.80579%0.791SS**  trans-152.6115.5164.8-55.9-177.6000109.9
816A32.5Very low36.8Very low100 Ų100142.3 Ų142.383%0.82679%0.794SS**  trans-178.2148.4156.400000107.8
817A35.4Very low36.3Very low108 Ų108145.4 Ų145.489%0.89380%0.799SS**  cis-147163.9-1.900000110.7
818G33.2Very low36.7Very low66 Ų66145.7 Ų145.768%0.6879%0.793SS**  trans160.381.417100000115.7
819H35.7Very low36.4Very low197 Ų197151.5 Ų151.591%0.91280%0.799SS**  trans25.1115.6158.3-52.989.3000118.8
820G32.3Very low36Very low71 Ų71154.2 Ų154.273%0.73280%0.803SS**  cis-158.1-140.43.100000110
821M30.1Very low35.4Very low166 Ų166150.9 Ų150.982%0.81880%0.795SS**  cis-145.5174.5-2.1-90.8-54.8-66.400110.2
822V35.9Very low35Very low121 Ų121146.6 Ų146.673%0.73379%0.793SS**  trans-162.6172.9-163.2-112.80000110.9
823P48.3Very low34.6Very low113 Ų113143.6 Ų143.673%0.73480%0.798SS**  cis-131.2-138.1-11.140.2-18.7000109.6
824P50Low34.5Very low98 Ų98136.9 Ų136.964%0.63680%0.797SS**  cis-132.5152.3-24.835.9-18000116.9
825T33.4Very low34.6Very low126 Ų126132.9 Ų132.977%0.77379%0.789SS**  trans48.3144.4138.668.70000121
826Q31.7Very low34.4Very low188 Ų188130.4 Ų130.488%0.87979%0.786SS**  -154.4162.963.7-78.1-175.94.500116.3
827R30.4Very low34.4Very low234 Ų234134.5 Ų134.588%0.88379%0.788SS**  trans-110.6-177.1167.7-121.9-172.9171.6-171.6-2.1106.5
828P44.8Very low34.3Very low98 Ų98137 Ų13764%0.63678%0.784SS**  cis-129.9-170.8-29.634.8-16.3000111.1
829R33.1Very low34.2Very low227 Ų227139.7 Ų139.786%0.85779%0.787SS**  171.6-177.9119.8-92.1-169.7-176.8-151.31.7113.6
830Y28.4Very low34Very low197 Ų197137.5 Ų137.577%0.77379%0.788SS**  trans-89.8162.6-156.2-61.8-98.4000116
831S29.1Very low33.9Very low111 Ų111138.6 Ų138.678%0.77679%0.79SS**  trans66.1144.1132.264.20000123.1
832A30.2Very low33.8Very low89 Ų89135.8 Ų135.874%0.73679%0.786SS**  trans84.2140.4143.400000119.9
833V30.4Very low33.7Very low151 Ų151138.5 Ų138.592%0.91579%0.791SS**  trans35.6118.6141.4-176.30000118.3
834G31.8Very low32.9Very low78 Ų78136.6 Ų136.680%0.80479%0.791SS**  trans-177.5129.3161.500000111.2
835A33.3Very low32.1Very low94 Ų94137.2 Ų137.278%0.77780%0.798SS**  trans-108.1167.1172.800000110.7
836S32.3Very low32.2Very low106 Ų106135.6 Ų135.674%0.74179%0.792SS**  trans81.7139.9159.8-53.90000119
837Q33.5Very low32.7Very low185 Ų185133.7 Ų133.786%0.86479%0.787SS**  trans67.5151.8165.2-63.9-173.27500118.5
838M31.7Very low33.2Very low162 Ų162129.6 Ų129.680%0.79878%0.782SS**  cis-170.2-169.6-39.4-139.8-172.717200107.4
839T32.1Very low32.9Very low121 Ų121130.8 Ų130.874%0.74279%0.787SS**  trans59102.3164.157.60000118.4A841T839-A841 PolarHBondContact O-N 2.81Å
840T30.7Very low33.3Very low152 Ų152130.9 Ų130.993%0.93379%0.788SS**  trans-75.194.3153.5450000110.1S842T840-S842 PolarHBondContact O-N 3.42Å
841A31.4Very low33.8Very low94 Ų94130.4 Ų130.478%0.77779%0.79SS**  trans-85.6104.3-178.900000113.2T839T839-A841 PolarHBondContact O-N 2.81Å
842S27.8Very low34.2Very low106 Ų106128.9 Ų128.974%0.74178%0.779SS**  trans1.9143.6146.5-105.20000122T840T840-S842 PolarHBondContact O-N 3.42Å
843Q34.3Very low34.4Very low179 Ų179131.7 Ų131.784%0.83679%0.786SS**  trans90.2132.1135-71.9-77.5-19.800121.9
844G30.7Very low34.5Very low72 Ų72127.4 Ų127.474%0.74277%0.773SS**  trans165.3109.5164.800000111
845S32.9Very low34.4Very low111 Ų111129.7 Ų129.778%0.77678%0.775SS**  cis-159.8150.2-1.951.10000113.6
846S36.1Very low34.5Very low92 Ų92131.5 Ų131.564%0.64378%0.776SS**  trans53.7119.9146.8179.80000121.6
847L41.3Very low35.3Very low149 Ų149132.2 Ų132.278%0.7878%0.778SS**  -167.9114.1104.3-93.5170.8000111.5
848L42.5Very low35.4Very low148 Ų148127 Ų12778%0.77577%0.766SS**  39.3132.8124.4-60.2-174.3000120.1
849V36.9Very low35.6Very low123 Ų123129.9 Ų129.975%0.74577%0.77SS**  cis-149.8149.113.8-177.10000114
850R42.3Very low35.7Very low229 Ų229132.2 Ų132.286%0.86477%0.773SS**  trans-23.8166.1157.3-62.8165.7-178.1-176.8-1.9118.9
851K39.1Very low35.8Very low187 Ų187133.4 Ų133.481%0.81377%0.765SS**  cis-166.6-167.717-122.6175.468.8-178.70106.3
852S37.9Very low35.8Very low79 Ų79135.8 Ų135.855%0.55276%0.76SS**  cis166.1158.1-37.262.10000107.2
853V33.1Very low36Very low147 Ų147138.1 Ų138.189%0.89176%0.762SS**  cis-153-16316.7-131.30000107.4
854G32.8Very low35.7Very low61 Ų61134.7 Ų134.763%0.62976%0.758SS**  cis161.51790.800000113
855C28.9Very low36.9Very low126 Ų126136.1 Ų136.185%0.85176%0.755SS**  trans67136.8-179.2-73.40000118.1
856V36.2Very low36.9Very low132 Ų132138.4 Ų138.480%0.876%0.758SS**  cis92.6135.827.2171.70000112.3
857P48.4Very low36.7Very low121 Ų121138 Ų13879%0.78677%0.769SS**  cis-133.6-17524.834.2-11.6000118.9
858A36.9Very low36.1Very low75 Ų75134.8 Ų134.862%0.6277%0.771SS**  trans-92.5177169.700000112.3
859Y35.8Very low35.5Very low224 Ų224132 Ų13288%0.87877%0.769SS**  -174.4166.864.5-89.8-86000112.3
860Q32.8Very low35.4Very low170 Ų170131.5 Ų131.579%0.79477%0.772SS**  139.5106.2123.6-173.4170.586.400117.5
861K34.7Very low34.9Very low176 Ų176127.9 Ų127.977%0.76577%0.769SS**  trans57.8167.9144.7-69.9-173.4172.8-167.50120.6
862Q29.6Very low34.6Very low144 Ų144125.7 Ų125.767%0.67377%0.765SS**  cis-178.2167.1-31.7-169.6-177.1-18.900107.6
863I33.5Very low34.4Very low155 Ų155128.8 Ų128.880%0.79577%0.771SS**  trans82.6147.8162.4-48.1178.6000118.5
864S28.3Very low34.5Very low107 Ų107130.4 Ų130.475%0.74877%0.766SS**  trans-163.6179.1166-142.30000107.6
865P54.3Low34.6Very low103 Ų103132.8 Ų132.867%0.66977%0.768SS**  cis-136.4-139.8-1.939.6-16.5000112.5
866N33.2Very low35.1Very low158 Ų158132.5 Ų132.585%0.84577%0.765SS**  trans90.5143.3157.8-75.4-5000123
867G31.4Very low34.8Very low85 Ų85133.1 Ų133.188%0.87676%0.759SS**  trans87.4144.3158.300000116
868G29.9Very low33.9Very low80 Ų80134.5 Ų134.583%0.82576%0.758SS**  cis169.6167.4-3.200000109
869A30.5Very low33.7Very low89 Ų89135 Ų13574%0.73676%0.763SS**  cis-167.2171-1.400000111.3
870S32.8Very low33.7Very low114 Ų114129.8 Ų129.880%0.79776%0.759SS**  trans68.1154.1155.870.60000120.5
871L33.3Very low33.7Very low153 Ų153127.9 Ų127.980%0.80176%0.759SS**  cis-167.6-178.2-35.7-154.497.2000109.2
872L32.6Very low33.5Very low141 Ų141128.6 Ų128.674%0.73877%0.765SS**  trans82.5136.7173.4-51168.7000115
873Q33.3Very low33.4Very low143 Ų143125.2 Ų125.267%0.66877%0.768SS**  cis-153.6154-4.5-134.7-175.843.100113.4
874K34.4Very low33.2Very low182 Ų182123.6 Ų123.679%0.79177%0.77SS**  trans65115160.2-71.2172.1179.8170.50120.6
875T35.7Very low33.4Very low110 Ų110121.6 Ų121.668%0.67576%0.761SS**  trans-90.8-180150.157.50000109.4
876P39.3Very low32.3Very low121 Ų121126.3 Ų126.379%0.78677%0.771SS**  -106.7156.45337.9-36.3000113.6
877Q30.3Very low32.2Very low145 Ų145124.1 Ų124.168%0.67876%0.759SS**  cis84.6122.331.8-81.6-165.4-14.900117.1
878I30.1Very low32.1Very low150 Ų150127.4 Ų127.477%0.76976%0.757SS**  trans69.9137.2144.5-62.2166.3000116.4
879A30.9Very low32.1Very low86 Ų86132.3 Ų132.371%0.71176%0.756SS**  cis-163.9-179.6-20.800000109.4
880S36.5Very low32.2Very low113 Ų113132.2 Ų132.279%0.7976%0.755SS**  trans-61.5141.8171.953.70000114.4
881V32.6Very low32.2Very low131 Ų131135.5 Ų135.579%0.79476%0.758SS**  trans-162.5117.4140.3131.10000111.9
882Q30.4Very low32.3Very low191 Ų191133.3 Ų133.389%0.89375%0.752SS**  31.1125129.5-154.7171.3-900121.2
883G29.1Very low32Very low72 Ų72136.1 Ų136.174%0.74276%0.759SS**  trans130.9124.1169.300000111.3
884S29.4Very low32.2Very low121 Ų121134.7 Ų134.785%0.84676%0.762SS**  cis83.4100.627.2-165.20000115.9
885A31.4Very low31.9Very low66 Ų66130.7 Ų130.755%0.54576%0.763SS.*  trans61.7108.4155.600000120
886F31.5Very low31.7Very low201 Ų201129.4 Ų129.488%0.88276%0.763SS**  -127.7134.6104.7-82-95.6000106.5
887N30.2Very low31.2Very low113 Ų113130.3 Ų130.360%0.60477%0.767SS**  cis77.28847.2-72.5-26000114.3
888D30.6Very low31.2Very low153 Ų153127.6 Ų127.682%0.81877%0.769SS**  -129.8121.9115.3-89.2-44.6000106.5
889F30.3Very low31Very low184 Ų184125.7 Ų125.781%0.80777%0.769SS**  54.6115.185.6-85.6-94.6000113.9
890A31.7Very low31.2Very low87 Ų87127.2 Ų127.272%0.71977%0.77SS**  cis-158.8157.1-900000112.3
891Q31.7Very low30.9Very low182 Ų182129.4 Ų129.485%0.8577%0.772SS**  trans-82.5162.8152-73-1647.200108.6
892P37.2Very low30.7Very low107 Ų107126.6 Ų126.670%0.69577%0.77SS**  cis-156.9179.935.244.5-22.9000120.4
893K26.2Very low30.6Very low200 Ų200126.5 Ų126.587%0.8777%0.77SS**  trans73.8162.5143.3-91.7-173.3172.7-177.90121
894P37.4Very low30.9Very low114 Ų114132.2 Ų132.274%0.7478%0.777SS**  trans-118.7-177.3-166.744.9-35.2000115.6
895A28.6Very low30.9Very low97 Ų97131.1 Ų131.180%0.80277%0.77SS**  trans105.2157.6147.600000119.2
896A29.4Very low30.8Very low83 Ų83133.7 Ų133.769%0.68678%0.784SS**  trans84.898.1169.300000120.1
897T29Very low31Very low140 Ų140130 Ų13086%0.85978%0.779SS**  trans66.2142.2132.254.40000121.4
898A30.5Very low31.3Very low89 Ų89131.4 Ų131.474%0.73679%0.793SS**  cis-167.7169-10.400000112.3
899S27.3Very low31.3Very low110 Ų110130.3 Ų130.377%0.76980%0.797SS**  trans77.3108.6158.3-154.90000119.1
900V33.8Very low31.6Very low118 Ų118125.8 Ų125.872%0.71579%0.793SS**  173.1129.7104.7159.10000108.7
901N31.7Very low31.5Very low158 Ų158129.3 Ų129.385%0.84580%0.799SS**  trans20.2129.3162.3-46.9-12.2000120.1
902G28Very low31.6Very low73 Ų73128.9 Ų128.975%0.75380%0.795SS**  cis163.9130-4.800000112.2
903E28.7Very low31.6Very low189 Ų189134.8 Ų134.888%0.88380%0.803SS**  trans45.5106.6168-58.2-177.1150.900118.1
904E33.3Very low31.7Very low191 Ų191130.5 Ų130.589%0.89380%0.799SS**  72.1141.964.3-64.4-162.8175.700114.7
905S31Very low31.6Very low99 Ų99132.3 Ų132.369%0.69280%0.801SS**  cis-151.2158.730.857.70000115.6
906S28.8Very low31.6Very low120 Ų120134.2 Ų134.284%0.83980%0.802SS**  trans-158.4105.2160.5-80.80000109.5
907P35.2Very low32.1Very low122 Ų122136.5 Ų136.579%0.79281%0.808SS**  trans-102.8121.5-173.534.8-29.7000113.5
908T36.7Very low32.2Very low144 Ų144133.9 Ų133.988%0.88380%0.8SS**  trans-133.3104.8167.454.20000111.7
909S31.4Very low32.1Very low129 Ų129136.2 Ų136.290%0.90280%0.8SS**  trans-156.4146.2157.961.60000110.8
910A35.6Very low32.1Very low89 Ų89135.9 Ų135.974%0.73679%0.794SS**  trans-103.8166.9-179.900000111.4
911L30Very low31.9Very low162 Ų162139 Ų13985%0.84880%0.798SS**  trans165.2125.4134.4-92.1161.1000112.6
912K34.6Very low32Very low172 Ų172137.2 Ų137.275%0.74879%0.792SS**  174.3107.1121.4-94.3158.4-174.91720113.1
913R36.5Very low32.1Very low231 Ų231137.8 Ų137.887%0.87279%0.785SS**  trans60.2144.8134.5-53169.8-160.7-154.30.8117.9
914S28Very low32.2Very low111 Ų111137.1 Ų137.178%0.77678%0.78SS**  cis-144.3151.515.9-161.30000113.2
915L34.6Very low31.8Very low152 Ų152135.6 Ų135.680%0.79677%0.772SS**  trans-79.2153.6155.4-73.7160.5000110
916V29.2Very low31.7Very low136 Ų136137.9 Ų137.982%0.82478%0.777SS**  trans-143.7131.8140.3179.60000107.5
917V39.7Very low31.7Very low132 Ų132138.3 Ų138.380%0.877%0.769SS**  trans-128114.1169.8174.90000108.9
918A32.3Very low31.4Very low85 Ų85138.8 Ų138.870%0.70276%0.764SS**  trans-154.9119.1160.300000106.8
919N26.8Very low31.1Very low137 Ų137138.8 Ų138.873%0.73375%0.754SS**  cis72.7111.844-167.914.2000113.1
920T28.9Very low31Very low103 Ų103140.1 Ų140.163%0.63275%0.746SS**  178.6128.2115.4370000113.9
921K28.7Very low30.7Very low185 Ų185140.9 Ų140.980%0.80475%0.753SS**  trans65150.9141.5-57.9168-176.2178.30117.3
922T34.8Very low30.5Very low119 Ų119138.1 Ų138.173%0.7375%0.747SS**  cis-130.5149.29.452.70000109.1
923S28.6Very low30.4Very low86 Ų86138.1 Ų138.160%0.60175%0.749SS**  cis64.1140.643.880.60000113.8
924F30.5Very low30.1Very low175 Ų175132.4 Ų132.477%0.76874%0.74SS**  cis-152.1177.29.4-116.3-60.4000109.7
925Q26Very low30.5Very low158 Ų158132.6 Ų132.674%0.73874%0.737SS**  trans32.9117.7152-69.4152.2-54.100118.7
926D28.6Very low30.2Very low147 Ų147132.7 Ų132.779%0.78673%0.733SS**  -139.3152.964-86.2-30.3000112
927L29.1Very low30.4Very low130 Ų130135.9 Ų135.968%0.68173%0.73SS**  cis79.4101.235.2-166.384.3000114.5
928L28.5Very low30.1Very low131 Ų131136 Ų13669%0.68673%0.726SS**  trans62.7166.7162.3-82.940.7000114.7
929Q31.2Very low29.9Very low145 Ų145141 Ų14168%0.67873%0.732SS**  cis-136.8164.810-161.577.558.500110.7
930Q29.6Very low30.5Very low157 Ų157140 Ų14073%0.73473%0.725SS**  trans-62.5155.7178.5-48.8118.3-64.300114.1
931A27.8Very low30.8Very low105 Ų105143.2 Ų143.287%0.86873%0.733SS**  trans-149.5114.9136.500000110.9
932S27.2Very low31.1Very low104 Ų104139.1 Ų139.173%0.72773%0.728SS**  trans-95.7-173163.953.60000110.1
933Q31.8Very low30.9Very low172 Ų172138.7 Ų138.780%0.80473%0.73SS**  trans92.8145.7169.6-61.7-168.72200118.7
934T31.2Very low31.2Very low111 Ų111143.2 Ų143.268%0.68174%0.742SS**  cis-172.4148.3-41.223.60000111.9
935V34.7Very low31.3Very low115 Ų115141.4 Ų141.470%0.69775%0.745SS**  trans30.5128.7134.8-1780000121
936Q29.7Very low31.7Very low154 Ų154138.3 Ų138.372%0.7275%0.747SS**  trans-157.5148.2133.1-70.8-15437.200109.9
937R32.2Very low31.8Very low203 Ų203136.2 Ų136.277%0.76675%0.75SS**  cis-159.4-178.5-12.9-116-176.8-178.7135.3-6.1111.3
938N33.2Very low32.1Very low134 Ų134136.4 Ų136.472%0.71776%0.757SS**  trans-112163.2-153.4-40.8-10.4000116.8
939K29.2Very low32.2Very low190 Ų190138.4 Ų138.483%0.82677%0.766SS**  trans-160.6153.1141.9-102.2-154163-159.60109.8
940I38.6Very low32.2Very low115 Ų115136 Ų13659%0.5977%0.771SS**  cis82.4115.312.8-57.4167.2000113.5
941E35Very low32.3Very low171 Ų171132.4 Ų132.480%0.79977%0.768SS**  cis-164.3178.74.5-123.3161-125.200108.2
942S35.8Very low32.6Very low99 Ų99134.4 Ų134.469%0.69276%0.764SS**  cis-139.7-135.83.844.90000109.7
943S30.5Very low32.8Very low111 Ų111135.8 Ų135.878%0.77676%0.763SS**  cis-159.9-155.44.6-10.20000112.1
944E35.9Very low33Very low180 Ų180136.8 Ų136.884%0.84177%0.765SS**  trans-82.1176.3-175.1-65.3166.6104.500116
945T32.3Very low33.2Very low137 Ų137135.9 Ų135.984%0.8476%0.764SS**  cis-146.5170.114.6-33.80000111.6
946A34.1Very low33.5Very low94 Ų94138.9 Ų138.978%0.77778%0.775SS**  trans-113.9166.5-175.900000115.2
947A31.3Very low33.9Very low103 Ų103137.3 Ų137.385%0.85177%0.772SS**  trans-154.8137.9157.900000112.1
948T35.3Very low34.1Very low134 Ų134134.1 Ų134.182%0.82277%0.77SS**  trans-136.5144.3176.7-50.20000108.2
949I29.2Very low34.6Very low173 Ų173135.9 Ų135.989%0.88778%0.778SS**  trans161.9151.8166.8-94.3150.9000107.3
950A30.6Very low35.3Very low94 Ų94134.6 Ų134.678%0.77777%0.772SS**  cis-161.3-170.4-32.300000106.8
951A32.4Very low35.5Very low81 Ų81140.4 Ų140.467%0.66979%0.787SS**  trans-104.6174.4-165.700000116.4
952D34.8Very low35.6Very low148 Ų148141 Ų14179%0.79179%0.79SS**  trans88.7158148.5-58.4-37000122.9
953D31.8Very low36Very low132 Ų132142.6 Ų142.671%0.70680%0.798SS**  trans68.9109.7170.1-57.9-28.9000121.6
954F35.6Very low36.4Very low193 Ų193143.8 Ų143.885%0.84680%0.8SS**  169.7135.895-90.6-64.2000116
955S34.4Very low36.2Very low93 Ų93142.7 Ų142.765%0.6580%0.8SS**  trans28.4140.5155.3-93.90000125.2D957S955-D957 WeakPolarHBondContact CB-OD2 3.43Å; S955-D957 PolarHBondContact OG-OD2 3.44Å
956L42.2Very low36.5Very low177 Ų177141.7 Ų141.793%0.92780%0.796SS**  trans-110.334.5178.5-71171.5000114.1
957D37.8Very low36.8Very low122 Ų122141.5 Ų141.565%0.65279%0.794SS**  trans-96.19.8-156.5-70.7-70.9000118.3S955S955-D957 WeakPolarHBondContact CB-OD2 3.43Å; S955-D957 PolarHBondContact OG-OD2 3.44Å
958N35.9Very low37.2Very low136 Ų136146 Ų14673%0.72780%0.798SS**  trans-135.552.4-179.3-87.6-74.5000115.7K960N958-K960 PolarHBondContact O-N 2.88Å; N958-K960 VanDerWaalsContact O-N 3.14Å
959L43.8Very low37.4Very low170 Ų170147 Ų14789%0.8980%0.798SS**  trans-68.4101167.9-174.575.4000111.6
960K43Very low37.9Very low163 Ų163146.9 Ų146.971%0.70979%0.793SS**  trans-137.5106.1169.8-70.7-179.9-177.6162.90110.1N958N958-K960 PolarHBondContact O-N 2.88Å; N958-K960 VanDerWaalsContact O-N 3.14Å
961R42.8Very low38.4Very low238 Ų238149.5 Ų149.590%0.89879%0.794SS**  74.1110.7102.7-73.2-176.6-178.1-167-1.7113.6
962E39Very low39.2Very low184 Ų184154.1 Ų154.186%0.8681%0.807SS**PPolyproline II helixtrans-64.6153.7166.1-64.5178.312600111.4
963P42.9Very low39.5Very low132 Ų132153.7 Ų153.786%0.85780%0.804SS**PPolyproline II helixtrans-76.7129.7173.831.2-33000111.4
964V38.8Very low39.9Very low135 Ų135155.7 Ų155.782%0.81881%0.813SS**PPolyproline II helixtrans-81.7135.4166.2176.30000108.6
965D32.8Very low40.1Very low157 Ų157150.2 Ų150.284%0.8481%0.811SS**PPolyproline II helixtrans-90.4124173.9-150.23.4000109.4A967D965-A967 PolarHBondContact O-N 3.45Å
966P38Very low40.4Very low117 Ų117156.2 Ų156.276%0.7684%0.844SS**  trans-97.197.3-162.635.3-34000114.2
967A41.5Very low40.3Very low89 Ų89155.2 Ų155.274%0.73684%0.84SS**  trans-145.7155.7160.600000110.8D965 D969D965-A967 PolarHBondContact O-N 3.45Å; A967-D969 PolarHBondContact O-N 2.65Å
968E39.7Very low40.4Very low199 Ų199156.9 Ų156.993%0.9385%0.849SS**  trans67.825.3173.8-56.3-170.6170.600117.7H970E968-H970 PolarHBondContact O-N 3.33Å
969D37.8Very low40.7Very low153 Ų153158.1 Ų158.182%0.81886%0.856SS**  trans-84.688154.6-150.90.3000108.6A967A967-D969 PolarHBondContact O-N 2.65Å
970H39.3Very low40.5Very low171 Ų171157.4 Ų157.479%0.79285%0.854SS**  trans178.793.7158-87.1-17.3000113E968E968-H970 PolarHBondContact O-N 3.33Å
971N43.1Very low40.3Very low149 Ų149157 Ų15780%0.79786%0.863SS**  155.775125.4-77-35.2000112.9I973N971-I973 PolarHBondContact O-N 2.72Å
972D48.6Very low40.2Very low178 Ų178151.6 Ų151.695%0.95286%0.861SS**  trans-63.7113.5153.6-97.6-30.7000109
973I40.2Very low40.3Very low140 Ų140149.3 Ų149.372%0.71886%0.861SS**  trans-147.4107167.8-143.7167.1000112.6N971N971-I973 PolarHBondContact O-N 2.72Å
974L40.6Very low40.1Very low173 Ų173150.6 Ų150.691%0.90686%0.861SS**  trans66112.2172.3-40.5-179000115.6
975G39.3Very low40.2Very low78 Ų78151.9 Ų151.980%0.80487%0.865SS**  cis116.564.12.800000113.5
976V41Very low40.8Very low219 Ų219151.5 Ų151.5100%1.32787%0.867SS**  trans-141.60166.6-177.40000108.8

Retrieved 976 of 976 residues in 315 ms (Link to these results)