A0A087Y637_POEFO Loading...

Regulator of G protein signaling 6

AlphaFold DB , UniProt , Accession A0A087Y637, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 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
1M31.1Very low29.7Very low243 Ų243144.3 Ų144.3100%1.19787%0.868SS**  0134.90-76.7-170.8-13800107.6
2A31.6Very low29.7Very low87 Ų87138.4 Ų138.472%0.71986%0.859SS**  trans63.5101.3171.100000116.2
3E30.7Very low29.9Very low197 Ų197135.2 Ų135.292%0.92186%0.855SS**  82.1118.591.3-78.9175.5176.200110.5
4G30.8Very low30Very low81 Ų81129.5 Ų129.584%0.83583%0.826SS**  cis103.869.336.600000109
5S28.1Very low30.5Very low125 Ų125131.3 Ų131.387%0.87482%0.82SS**  trans-108113.9171.6-164.40000109.6
6K31.3Very low31.3Very low194 Ų194130.3 Ų130.384%0.84382%0.816SS**PPolyproline II helixtrans-71123.7175.2-77.1172.9172.6175.30109.1Q8K6-Q8 PolarHBondContact O-N 3.37Å
7D27.9Very low32.2Very low165 Ų165132.9 Ų132.988%0.88282%0.816SS**PPolyproline II helixtrans-61.2121.8166.2-135.6-7.6000108.6
8Q31Very low33.3Very low184 Ų184130.3 Ų130.386%0.8679%0.793SS**PPolyproline II helixtrans-74130.5178.1-72.3-179.411.700108.6K6 A10K6-Q8 PolarHBondContact O-N 3.37Å; Q8-A10 PolarHBondContact O-N 2.96Å
9G26.4Very low34.6Very low71 Ų71126.7 Ų126.773%0.73277%0.769SS**PPolyproline II helixtrans-57.2129.3-171.300000112.8T11G9-T11 PolarHBondContact O-N 3.46Å
10A27.5Very low36.2Very low100 Ų100120.8 Ų120.883%0.82673%0.733SS**PPolyproline II helixtrans-54.1119.6158.300000108.2Q8 G12Q8-A10 PolarHBondContact O-N 2.96Å; A10-G12 PolarHBondContact O-N 3.45Å
11T30.9Very low37.8Very low140 Ų140117.3 Ų117.386%0.85971%0.713SS**  trans-59.1102.3167.435.40000107.8G9 A13G9-T11 PolarHBondContact O-N 3.46Å; T11-A13 PolarHBondContact O-N 3.25Å; T11-A13 VanDerWaalsContact O-N 3.1Å
12G29.2Very low40.2Very low74 Ų74106.9 Ų106.976%0.76366%0.662SS**  trans-57.6115.917600000109.4A10 A14A10-G12 PolarHBondContact O-N 3.45Å; G12-A14 PolarHBondContact O-N 3.15Å
13A32.4Very low42.8Very low97 Ų97103.4 Ų103.480%0.80263%0.631SS**PPolyproline II helixtrans-60.2119.8164.400000107.2T11 E15T11-A13 PolarHBondContact O-N 3.25Å; T11-A13 VanDerWaalsContact O-N 3.1Å; A13-E15 PolarHBondContact O-N 3.37Å
14A31.9Very low45.5Very low55 Ų5599 Ų9946%0.45561%0.612SS.*PPolyproline II helixtrans-58.9135.8174.300000110.2G12 H248G12-A14 PolarHBondContact O-N 3.15Å; A14-H248 VanDerWaalsContact CB-CE1 3.43Å; A14-H248 WeakPolarHBondContact CB-CE1 3.43Å; A14-H248 WeakPolarHBondContact CB-NE2 3.42Å
15E37.4Very low48.5Very low156 Ų15698.2 Ų98.273%0.72959%0.592SS**PPolyproline II helixtrans-63.7137.7175.3-75.2-167160.500111A13 E17A13-E15 PolarHBondContact O-N 3.37Å; E15-E17 VanDerWaalsContact C-N 3.25Å; E15-E17 PolarHBondContact O-N 3.02Å
16P42.8Very low51.6Low116 Ų11693.4 Ų93.475%0.75355%0.554SS**THydrogen-bonded Turntrans-77.66.2-172.630-34.9000115.4
17E46.3Very low54.6Low175 Ų17589.8 Ų89.882%0.81854%0.535SS*.THydrogen-bonded Turntrans-83.1-15-171.3-70.7-162.9157.400115.3E15E15-E17 VanDerWaalsContact C-N 3.25Å; E15-E17 PolarHBondContact O-N 3.02Å
18E51.4Low57.9Low85 Ų8588.3 Ų88.340%0.39752%0.521SS..SBendtrans-100.5-11.2-175.8-66.5-164.816100115.2S250E18-S250 PolarHBondContact OE2-OG 3.02Å
19D58.9Low61.1Low63 Ų6380.4 Ų80.434%0.33748%0.484SS..SBendtrans-85.7147.3-176.6-85.7-31.8000112.5M23 R27D19-M23 HydrophobicContact CB-CB 4.07Å; D19-M23 HydrophobicContact CB-CG 3.88Å; D19-R27 IonicContact OD1-NH2 3.62Å; D19-R27 IonicContact OD2-CZ 3.95Å; D19-R27 VanDerWaalsContact OD2-CZ 3.22Å; D19-R27 IonicContact OD2-NH1 3.79Å; D19-R27 PolarHBondContact OD2-NH1 3.32Å; D19-R27 IonicContact OD2-NH2 3.63Å; D19-R27 PolarHBondContact OD2-NH2 3.25Å
20S66.5Low64.4Low8 Ų878.3 Ų78.36%0.05646%0.455CS..  trans-49.7135.1165.9169.80000108.9N22 M23 E223S20-N22 PolarHBondContact O-N 3.22Å; S20-N22 PolarHBondContact OG-N 2.96Å; S20-M23 WeakPolarHBondContact O-CB 3.47Å; S20-M23 WeakPolarHBondContact O-CG 3.46Å; S20-M23 PolarHBondContact O-N 2.88Å; S20-E223 WeakPolarHBondContact CA-OE1 3.22Å; S20-E223 WeakPolarHBondContact CB-OE1 3.46Å; S20-E223 PolarHBondContact OG-OE1 2.84Å
21P70.1Confident67.8Low47 Ų4778.2 Ų78.231%0.30544%0.441SS..THydrogen-bonded Turntrans-60-11.2177.923.2-33.3000113.2M215 K219P21-M215 HydrophobicContact CG-CE 4.29Å; P21-K219 HydrophobicContact CB-CD 4.07Å; P21-K219 HydrophobicContact CB-CG 4.17Å; P21-K219 HydrophobicContact CG-CB 3.61Å; P21-K219 HydrophobicContact CG-CD 3.69Å; P21-K219 HydrophobicContact CG-CG 3.6Å
22N80.7Confident71Confident24 Ų2472.5 Ų72.513%0.12841%0.405CS..THydrogen-bonded Turntrans-90.7-14.6174.8-63.3-13.2000113.2S20 I24 V25 Y26 M215 K219S20-N22 PolarHBondContact O-N 3.22Å; S20-N22 PolarHBondContact OG-N 2.96Å; N22-I24 VanDerWaalsContact C-N 3.29Å; N22-I24 PolarHBondContact O-N 3.44Å; N22-V25 WeakPolarHBondContact O-CB 3.19Å; N22-V25 PolarHBondContact O-N 2.96Å; N22-Y26 HydrophobicContact CB-CD2 4.45Å; N22-Y26 HydrophobicContact CB-CE2 3.78Å; N22-Y26 PolarHBondContact O-N 2.88Å; N22-Y26 VanDerWaalsContact O-N 3.12Å; N22-M215 WeakPolarHBondContact ND2-CE 3.45Å; N22-K219 PolarHBondContact OD1-NZ 3.08Å
23M85.9Confident74.2Confident15 Ų1569 Ų697%0.07437%0.369CS..Hα-helixtrans-58.2-39.2-177.3-70.4-50.9-66.400113D19 S20 V25 Y26 R27D19-M23 HydrophobicContact CB-CB 4.07Å; D19-M23 HydrophobicContact CB-CG 3.88Å; S20-M23 WeakPolarHBondContact O-CB 3.47Å; S20-M23 WeakPolarHBondContact O-CG 3.46Å; S20-M23 PolarHBondContact O-N 2.88Å; M23-V25 PolarHBondContact O-N 3.33Å; M23-Y26 PolarHBondContact O-N 3.41Å; M23-Y26 HydrophobicContact SD-CD2 4.05Å; M23-R27 WeakPolarHBondContact O-CG 3.11Å; M23-R27 PolarHBondContact O-N 3.41Å
24I88.9Confident77.3Confident103 Ų10368 Ų6853%0.52835%0.353SS..Hα-helixtrans-61.8-33.3178.7-169.2170000111.8N22 K28N22-I24 VanDerWaalsContact C-N 3.29Å; N22-I24 PolarHBondContact O-N 3.44Å; I24-K28 VanDerWaalsContact O-CG 3.32Å; I24-K28 WeakPolarHBondContact O-CG 3.29Å; I24-K28 PolarHBondContact O-N 2.95Å
25V93.2Very high80.4Confident66 Ų6671 Ų7140%0.435%0.352SS..Hα-helixtrans-73.2-45.2177.4-177.60000109.9N22 M23 R27 K28 M29N22-V25 WeakPolarHBondContact O-CB 3.19Å; N22-V25 PolarHBondContact O-N 2.96Å; M23-V25 PolarHBondContact O-N 3.33Å; V25-R27 PolarHBondContact O-N 3.09Å; V25-K28 PolarHBondContact O-N 3.47Å; V25-M29 HydrophobicContact CG1-CE 3.96Å; V25-M29 HydrophobicContact CG1-SD 4.43Å; V25-M29 PolarHBondContact O-N 3.36Å
26Y93.5Very high83.3Confident24 Ų2463.6 Ų63.69%0.09432%0.318CS..Hα-helixtrans-58-48.2176.2-61.1-33.1000112N22 M23 K28 M29 E30 H91 Y93 P120N22-Y26 HydrophobicContact CB-CD2 4.45Å; N22-Y26 HydrophobicContact CB-CE2 3.78Å; N22-Y26 PolarHBondContact O-N 2.88Å; N22-Y26 VanDerWaalsContact O-N 3.12Å; M23-Y26 PolarHBondContact O-N 3.41Å; M23-Y26 HydrophobicContact SD-CD2 4.05Å; Y26-K28 VanDerWaalsContact C-N 3.31Å; Y26-K28 PolarHBondContact O-N 2.9Å; Y26-M29 PolarHBondContact O-N 3.49Å; Y26-M29 VanDerWaalsContact O-N 3.11Å; Y26-E30 WeakPolarHBondContact O-CB 3.36Å; Y26-E30 VanDerWaalsContact O-CG 3.24Å; Y26-E30 WeakPolarHBondContact O-CG 3.42Å; Y26-E30 PolarHBondContact O-N 3.22Å; Y26-H91 AromaticContact CE1-CD2 3.89Å; Y26-Y93 WeakPolarHBondContact CA-OH 3.47Å; Y26-Y93 WeakPolarHBondContact CB-OH 3.48Å; Y26-Y93 PolarHBondContact O-OH 3.18Å; Y26-P120 HydrophobicContact CD1-CB 4.33Å; Y26-P120 HydrophobicContact CD1-CG 3.91Å; Y26-P120 HydrophobicContact CE1-CB 4.05Å; Y26-P120 HydrophobicContact CE1-CG 4.03Å; Y26-P120 HydrophobicContact CE2-CB 4.48Å; Y26-P120 HydrophobicContact CG-CG 4.39Å
27R93.8Very high85.7Confident117 Ų11761.2 Ų61.244%0.44230%0.297SS..Hα-helixtrans-56.4-44.3176.5-71.8177.1-176.7143.97.5112.1D19 M23 V25 M29 E30 D31D19-R27 IonicContact OD1-NH2 3.62Å; D19-R27 IonicContact OD2-CZ 3.95Å; D19-R27 VanDerWaalsContact OD2-CZ 3.22Å; D19-R27 IonicContact OD2-NH1 3.79Å; D19-R27 PolarHBondContact OD2-NH1 3.32Å; D19-R27 IonicContact OD2-NH2 3.63Å; D19-R27 PolarHBondContact OD2-NH2 3.25Å; M23-R27 WeakPolarHBondContact O-CG 3.11Å; M23-R27 PolarHBondContact O-N 3.41Å; V25-R27 PolarHBondContact O-N 3.09Å; R27-M29 PolarHBondContact O-N 3.15Å; R27-E30 PolarHBondContact O-N 3.12Å; R27-D31 VanDerWaalsContact O-CG 3.24Å; R27-D31 PolarHBondContact O-N 3.27Å
28K96.5Very high88Confident134 Ų13456.3 Ų56.358%0.58328%0.276SS*.Hα-helixtrans-64.4-39177.3-73.1179.6178.9-167.80112.9I24 V25 Y26 I32I24-K28 VanDerWaalsContact O-CG 3.32Å; I24-K28 WeakPolarHBondContact O-CG 3.29Å; I24-K28 PolarHBondContact O-N 2.95Å; V25-K28 PolarHBondContact O-N 3.47Å; Y26-K28 VanDerWaalsContact C-N 3.31Å; Y26-K28 PolarHBondContact O-N 2.9Å; K28-I32 WeakPolarHBondContact O-CG1 3.28Å; K28-I32 PolarHBondContact O-N 3.1Å
29M97.8Very high89.6Confident18 Ų1857.6 Ų57.69%0.08928%0.282CS..Hα-helixtrans-66.3-41.1174.6-72.2179.717500111.4V25 Y26 R27 I32 V33 L87 I88 H91 Y93V25-M29 HydrophobicContact CG1-CE 3.96Å; V25-M29 HydrophobicContact CG1-SD 4.43Å; V25-M29 PolarHBondContact O-N 3.36Å; Y26-M29 PolarHBondContact O-N 3.49Å; Y26-M29 VanDerWaalsContact O-N 3.11Å; R27-M29 PolarHBondContact O-N 3.15Å; M29-I32 WeakPolarHBondContact O-CB 3.28Å; M29-I32 PolarHBondContact O-N 3.47Å; M29-V33 WeakPolarHBondContact O-CG2 3.43Å; M29-V33 PolarHBondContact O-N 3.41Å; M29-L87 HydrophobicContact CE-CB 4.46Å; M29-I88 HydrophobicContact CG-CG1 4.31Å; M29-H91 HydrophobicContact SD-CB 4.12Å; M29-Y93 HydrophobicContact CB-CD2 4.03Å; M29-Y93 HydrophobicContact CB-CE2 3.65Å; M29-Y93 HydrophobicContact CG-CE2 4.39Å; M29-Y93 HydrophobicContact SD-CD2 4.24Å; M29-Y93 HydrophobicContact SD-CE2 3.87Å
30E97.3Very high91.1Very high27 Ų2764.4 Ų64.413%0.12631%0.309CS..Hα-helixtrans-63.6-40.7177.5-71.6168.5-163.700112.3Y26 R27 I32 V33 T34 Y93 W119 S121Y26-E30 WeakPolarHBondContact O-CB 3.36Å; Y26-E30 VanDerWaalsContact O-CG 3.24Å; Y26-E30 WeakPolarHBondContact O-CG 3.42Å; Y26-E30 PolarHBondContact O-N 3.22Å; R27-E30 PolarHBondContact O-N 3.12Å; E30-I32 VanDerWaalsContact C-N 3.28Å; E30-I32 PolarHBondContact O-N 3.16Å; E30-V33 PolarHBondContact O-N 2.66Å; E30-T34 VanDerWaalsContact O-CB 3.31Å; E30-T34 WeakPolarHBondContact O-CB 3.41Å; E30-T34 PolarHBondContact O-N 3.03Å; E30-T34 PolarHBondContact O-OG1 3.03Å; E30-Y93 HydrophobicContact CG-CD1 4.18Å; E30-Y93 HydrophobicContact CG-CE1 3.26Å; E30-Y93 WeakPolarHBondContact CG-OH 3.49Å; E30-Y93 PolarHBondContact OE1-OH 3.5Å; E30-W119 HydrophobicContact CB-CE3 4.28Å; E30-W119 HydrophobicContact CB-CH2 4.23Å; E30-W119 HydrophobicContact CB-CZ3 3.77Å; E30-W119 HydrophobicContact CG-CD2 4.09Å; E30-W119 HydrophobicContact CG-CE3 3.42Å; E30-W119 VanDerWaalsContact CG-CE3 3.42Å; E30-W119 HydrophobicContact CG-CH2 4.12Å; E30-W119 HydrophobicContact CG-CZ3 3.44Å; E30-W119 VanDerWaalsContact CG-CZ3 3.44Å; E30-S121 WeakPolarHBondContact OE1-CB 3.36Å; E30-S121 PolarHBondContact OE1-OG 3.32Å
31D97.5Very high92.1Very high98 Ų9867.5 Ų67.552%0.52434%0.335SS..Hα-helixtrans-62.3-36.4173.9-70.9-18.3000111.8R27 R35R27-D31 VanDerWaalsContact O-CG 3.24Å; R27-D31 PolarHBondContact O-N 3.27Å; D31-R35 VanDerWaalsContact O-CG 3.3Å; D31-R35 WeakPolarHBondContact O-CG 3.34Å; D31-R35 PolarHBondContact O-N 3.29Å; D31-R35 PolarHBondContact O-NE 2.87Å; D31-R35 VanDerWaalsContact O-NE 3.13Å
32I98.1Very high93.1Very high21 Ų2167.6 Ų67.611%0.10834%0.344CS..Hα-helixtrans-67.6-50.6173.4-67.7165.9000109.8K28 M29 E30 T34 R35 I36 W68 L69 L73 I88K28-I32 WeakPolarHBondContact O-CG1 3.28Å; K28-I32 PolarHBondContact O-N 3.1Å; M29-I32 WeakPolarHBondContact O-CB 3.28Å; M29-I32 PolarHBondContact O-N 3.47Å; E30-I32 VanDerWaalsContact C-N 3.28Å; E30-I32 PolarHBondContact O-N 3.16Å; I32-T34 VanDerWaalsContact C-N 3.31Å; I32-T34 PolarHBondContact O-N 2.81Å; I32-R35 PolarHBondContact O-N 3.42Å; I32-R35 VanDerWaalsContact O-N 3.16Å; I32-I36 HydrophobicContact CG2-CD1 3.66Å; I32-I36 HydrophobicContact CG2-CG1 4.24Å; I32-I36 WeakPolarHBondContact O-CG1 3.49Å; I32-I36 PolarHBondContact O-N 3.07Å; I32-W68 HydrophobicContact CG2-CZ3 4.27Å; I32-L69 HydrophobicContact CG2-CD2 3.93Å; I32-L73 HydrophobicContact CD1-CD1 4.25Å; I32-I88 HydrophobicContact CG2-CD1 3.88Å
33V97.9Very high93.7Very high0 Ų067.3 Ų67.30%035%0.347CS..Hα-helixtrans-60.1-42.3-177.5171.60000111.4M29 E30 R35 I36 Q37 I88 Y93 F113 W119M29-V33 WeakPolarHBondContact O-CG2 3.43Å; M29-V33 PolarHBondContact O-N 3.41Å; E30-V33 PolarHBondContact O-N 2.66Å; V33-R35 VanDerWaalsContact C-N 3.34Å; V33-R35 PolarHBondContact O-N 3.04Å; V33-I36 PolarHBondContact O-N 3.28Å; V33-Q37 WeakPolarHBondContact O-CG 3.37Å; V33-Q37 PolarHBondContact O-N 3.32Å; V33-I88 HydrophobicContact CG2-CG2 3.76Å; V33-Y93 HydrophobicContact CG2-CD1 4.33Å; V33-Y93 HydrophobicContact CG2-CG 4.04Å; V33-F113 HydrophobicContact CG1-CD1 4.02Å; V33-W119 HydrophobicContact CG1-CZ2 4.24Å
34T96.6Very high94.2Very high75 Ų7567 Ų6746%0.4635%0.345SS..Hα-helixtrans-61.8-42.9177.7-57.40000111.1E30 I32 Q37 D38E30-T34 VanDerWaalsContact O-CB 3.31Å; E30-T34 WeakPolarHBondContact O-CB 3.41Å; E30-T34 PolarHBondContact O-N 3.03Å; E30-T34 PolarHBondContact O-OG1 3.03Å; I32-T34 VanDerWaalsContact C-N 3.31Å; I32-T34 PolarHBondContact O-N 2.81Å; T34-Q37 PolarHBondContact O-N 2.94Å; T34-D38 PolarHBondContact O-N 2.94Å
35R97.4Very high94.4Very high118 Ų11863.8 Ų63.845%0.44533%0.334SS..Hα-helixtrans-68.8-37.2176.4-72.5-176.6-66.6161.5-1.4112.8D31 I32 V33 Q37 D38 W68D31-R35 VanDerWaalsContact O-CG 3.3Å; D31-R35 WeakPolarHBondContact O-CG 3.34Å; D31-R35 PolarHBondContact O-N 3.29Å; D31-R35 PolarHBondContact O-NE 2.87Å; D31-R35 VanDerWaalsContact O-NE 3.13Å; I32-R35 PolarHBondContact O-N 3.42Å; I32-R35 VanDerWaalsContact O-N 3.16Å; V33-R35 VanDerWaalsContact C-N 3.34Å; V33-R35 PolarHBondContact O-N 3.04Å; R35-Q37 PolarHBondContact O-N 2.77Å; R35-D38 PolarHBondContact O-N 3.19Å; R35-W68 VanDerWaalsContact C-CZ2 3.49Å; R35-W68 HydrophobicContact CB-CH2 3.66Å; R35-W68 HydrophobicContact CB-CZ2 3.77Å; R35-W68 WeakPolarHBondContact O-CZ2 3.48Å
36I97.1Very high94.4Very high2 Ų263.6 Ų63.61%0.0133%0.331CS..Hα-helixtrans-60.2-39.5174.4-69.8169.8000110.1I32 V33 G43 V44 W68 L69 F113I32-I36 HydrophobicContact CG2-CD1 3.66Å; I32-I36 HydrophobicContact CG2-CG1 4.24Å; I32-I36 WeakPolarHBondContact O-CG1 3.49Å; I32-I36 PolarHBondContact O-N 3.07Å; V33-I36 PolarHBondContact O-N 3.28Å; I36-G43 CarbonylContact O-C 3.59Å; I36-G43 WeakPolarHBondContact O-CA 3.25Å; I36-V44 HydrophobicContact CG2-CB 4.34Å; I36-V44 HydrophobicContact CG2-CG1 4.05Å; I36-V44 HydrophobicContact CG2-CG2 3.43Å; I36-V44 VanDerWaalsContact CG2-CG2 3.43Å; I36-V44 PolarHBondContact O-N 3.31Å; I36-W68 HydrophobicContact CB-CD2 4.45Å; I36-W68 HydrophobicContact CB-CE3 4.44Å; I36-W68 HydrophobicContact CB-CZ3 4.49Å; I36-W68 HydrophobicContact CD1-CE3 3.98Å; I36-W68 HydrophobicContact CD1-CZ3 3.99Å; I36-W68 HydrophobicContact CG1-CD2 3.68Å; I36-W68 HydrophobicContact CG1-CE3 3.25Å; I36-W68 HydrophobicContact CG1-CH2 3.66Å; I36-W68 HydrophobicContact CG1-CZ2 4.04Å; I36-W68 HydrophobicContact CG1-CZ3 3.25Å; I36-L69 HydrophobicContact CD1-CD2 4.07Å; I36-F113 HydrophobicContact CB-CE1 4.3Å; I36-F113 HydrophobicContact CB-CZ 4.46Å; I36-F113 HydrophobicContact CG2-CE1 3.64Å; I36-F113 HydrophobicContact CG2-CZ 3.45Å; I36-F113 VanDerWaalsContact CG2-CZ 3.45Å
37Q94.8Very high94.3Very high66 Ų6669.9 Ų69.931%0.30835%0.354SS..Hα-helixtrans-76.9-17.6-178-71.7177.3-17.500114.6V33 T34 R35 E39 F113V33-Q37 WeakPolarHBondContact O-CG 3.37Å; V33-Q37 PolarHBondContact O-N 3.32Å; T34-Q37 PolarHBondContact O-N 2.94Å; R35-Q37 PolarHBondContact O-N 2.77Å; Q37-E39 PolarHBondContact O-N 3.3Å; Q37-F113 HydrophobicContact CG-CD1 3.77Å; Q37-F113 HydrophobicContact CG-CD2 3.85Å; Q37-F113 HydrophobicContact CG-CE1 3.91Å; Q37-F113 HydrophobicContact CG-CE2 3.97Å; Q37-F113 HydrophobicContact CG-CG 3.79Å; Q37-F113 HydrophobicContact CG-CZ 4.03Å
38D93.1Very high94.3Very high72 Ų7267.6 Ų67.639%0.38535%0.353SS..  trans-80.285.1-175.2-171.8-8.7000111.6T34 R35 K40 A41 G42 G43T34-D38 PolarHBondContact O-N 2.94Å; R35-D38 PolarHBondContact O-N 3.19Å; D38-K40 PolarHBondContact O-N 3.15Å; D38-K40 VanDerWaalsContact O-N 3.1Å; D38-K40 WeakPolarHBondContact OD1-CB 3.21Å; D38-K40 PolarHBondContact OD1-N 3.28Å; D38-A41 HydrophobicContact CB-CB 3.99Å; D38-A41 VanDerWaalsContact CG-CB 3.45Å; D38-A41 CarbonylContact O-C 3.44Å; D38-A41 PolarHBondContact O-N 2.84Å; D38-A41 PolarHBondContact OD1-N 2.87Å; D38-A41 VanDerWaalsContact OD1-N 3.16Å; D38-A41 VanDerWaalsContact OD2-CB 3.3Å; D38-A41 WeakPolarHBondContact OD2-CB 3.36Å; D38-G42 PolarHBondContact O-N 3.03Å; D38-G43 VanDerWaalsContact O-CA 3.29Å; D38-G43 WeakPolarHBondContact O-CA 3.47Å; D38-G43 PolarHBondContact O-N 3.38Å
39E86.3Confident94Very high111 Ų11163.7 Ų63.752%0.51934%0.341SS..G310 helixtrans-54.9-28.9178.1-66.3-172172.600113.1Q37 G42 I46Q37-E39 PolarHBondContact O-N 3.3Å; E39-G42 PolarHBondContact O-N 3.11Å; E39-I46 PolarHBondContact OE1-N 3.37Å
40K89.1Confident93.6Very high207 Ų20770.3 Ų70.390%0.937%0.369SS*.G310 helixtrans-75.1-31179.2-64.1-178.8-179.4176.90111.9D38 G42D38-K40 PolarHBondContact O-N 3.15Å; D38-K40 VanDerWaalsContact O-N 3.1Å; D38-K40 WeakPolarHBondContact OD1-CB 3.21Å; D38-K40 PolarHBondContact OD1-N 3.28Å; K40-G42 VanDerWaalsContact C-N 3.3Å
41A88.4Confident93.1Very high73 Ų7372.3 Ų72.360%0.60339%0.386SS*.G310 helixtrans-90.914.5176.600000113.3D38D38-A41 HydrophobicContact CB-CB 3.99Å; D38-A41 VanDerWaalsContact CG-CB 3.45Å; D38-A41 CarbonylContact O-C 3.44Å; D38-A41 PolarHBondContact O-N 2.84Å; D38-A41 PolarHBondContact OD1-N 2.87Å; D38-A41 VanDerWaalsContact OD1-N 3.16Å; D38-A41 VanDerWaalsContact OD2-CB 3.3Å; D38-A41 WeakPolarHBondContact OD2-CB 3.36Å
42G90.9Very high92.4Very high49 Ų4977.4 Ų77.451%0.50540%0.403SS..THydrogen-bonded Turntrans84.224.2-179.400000114.2D38 E39 K40 W68D38-G42 PolarHBondContact O-N 3.03Å; E39-G42 PolarHBondContact O-N 3.11Å; K40-G42 VanDerWaalsContact C-N 3.3Å; G42-W68 VanDerWaalsContact O-CD1 3.29Å; G42-W68 PolarHBondContact O-NE1 3.01Å
43G93.9Very high91.5Very high17 Ų1783.8 Ų83.818%0.17544%0.437CS..PPolyproline II helixtrans-58.6173.8166.500000113.8I36 D38I36-G43 CarbonylContact O-C 3.59Å; I36-G43 WeakPolarHBondContact O-CA 3.25Å; D38-G43 VanDerWaalsContact O-CA 3.29Å; D38-G43 WeakPolarHBondContact O-CA 3.47Å; D38-G43 PolarHBondContact O-N 3.38Å
44V95.8Very high90.7Very high8 Ų886.1 Ų86.15%0.04845%0.454CS..PPolyproline II helixtrans-75.6139.7176.5-61.20000110.8I36 I46 V60 D64 W68 F113I36-V44 HydrophobicContact CG2-CB 4.34Å; I36-V44 HydrophobicContact CG2-CG1 4.05Å; I36-V44 HydrophobicContact CG2-CG2 3.43Å; I36-V44 VanDerWaalsContact CG2-CG2 3.43Å; I36-V44 PolarHBondContact O-N 3.31Å; V44-I46 PolarHBondContact O-N 3.02Å; V44-V60 HydrophobicContact CB-CG2 3.78Å; V44-V60 HydrophobicContact CG1-CG2 4.48Å; V44-V60 HydrophobicContact CG2-CB 4.29Å; V44-V60 HydrophobicContact CG2-CG2 3.58Å; V44-D64 HydrophobicContact CG1-CB 4.36Å; V44-D64 WeakPolarHBondContact CG1-O 3.41Å; V44-W68 HydrophobicContact CG1-CB 3.54Å; V44-W68 HydrophobicContact CG1-CG 3.8Å; V44-F113 HydrophobicContact CG2-CE2 4.19Å; V44-F113 HydrophobicContact CG2-CZ 3.8Å
45A92.9Very high90.3Very high36 Ų3688.8 Ų88.830%0.29846%0.459SS..PPolyproline II helixtrans-72.4120-178.800000111.3R47A45-R47 HydrophobicContact CB-CG 4.34Å
46I94Very high89.9Confident63 Ų6385.3 Ų85.332%0.32345%0.449SS..  trans-87.7115.5177.2-61.2173.7000108.7E39 V44 F113E39-I46 PolarHBondContact OE1-N 3.37Å; V44-I46 PolarHBondContact O-N 3.02Å; I46-F113 HydrophobicContact CD1-CD2 3.99Å; I46-F113 HydrophobicContact CD1-CE2 3.92Å; I46-F113 HydrophobicContact CG1-CD2 4.48Å; I46-F113 HydrophobicContact CG1-CE2 4.04Å
47R91.8Very high89.6Confident156 Ų15686.2 Ų86.259%0.58945%0.454SS*.EExtended strand (participates in β ladder)trans-118.5158.1-169.6-62-179.1-174.5172.94.4113A45 S58 V59A45-R47 HydrophobicContact CB-CG 4.34Å; R47-S58 PolarHBondContact O-N 3.41Å; R47-S58 VanDerWaalsContact O-N 3.16Å; R47-V59 PolarHBondContact N-O 3.34Å; R47-V59 WeakPolarHBondContact O-CG2 3.5Å; R47-V59 PolarHBondContact O-N 3.4Å
48T92.7Very high89.5Confident69 Ų6985.8 Ų85.842%0.42346%0.459SS..EExtended strand (participates in β ladder)trans-98.8113.4164.2-650000109K55 I56 P57T48-K55 HydrophobicContact CG2-CD 4.29Å; T48-K55 HydrophobicContact CG2-CG 3.72Å; T48-I56 CarbonylContact C-O 3.28Å; T48-I56 WeakPolarHBondContact CA-O 3.39Å; T48-P57 HydrophobicContact CG2-CB 4.44Å
49V90.4Very high89.6Confident52 Ų5282.5 Ų82.532%0.31544%0.441SS..EExtended strand (participates in β ladder)trans-89.9128.1179.3-179.40000109.4I56 V59V49-I56 PolarHBondContact N-O 2.88Å; V49-I56 PolarHBondContact O-N 3.27Å; V49-V59 HydrophobicContact CB-CG2 4.34Å; V49-V59 HydrophobicContact CG2-CG2 3.71Å
50K89.7Confident90.1Very high157 Ų15777.4 Ų77.468%0.68342%0.418SS*.EExtended strand (participates in β ladder)trans-113.1129.3178.3-68.8178-176.7174.30109.3K55K50-K55 HydrophobicContact CG-CD 4.43Å; K50-K55 HydrophobicContact CG-CG 4.03Å
51S86.1Confident90.5Very high68 Ų6868.6 Ų68.648%0.47638%0.382SS..  trans-122.2174.1167.875.80000109.4L53 S54S51-L53 PolarHBondContact O-N 3.28Å; S51-L53 PolarHBondContact OG-N 3.16Å; S51-S54 PolarHBondContact N-O 3.17Å; S51-S54 PolarHBondContact OG-N 3.2Å; S51-S54 PolarHBondContact OG-O 3.25Å; S51-S54 PolarHBondContact OG-OG 2.89Å
52F83.3Confident91Very high205 Ų20565.1 Ų65.190%0.89935%0.354SS*.SBendtrans-57.5-34.4176.6-177.5-107.1000112.9
53L78.9Confident91.3Very high155 Ų15563.9 Ų63.981%0.81234%0.339SS*.SBendtrans-104.3-15.8-175-64.7174.8000114S51S51-L53 PolarHBondContact O-N 3.28Å; S51-L53 PolarHBondContact OG-N 3.16Å
54S82Confident91.5Very high50 Ų5065.8 Ų65.835%0.3535%0.345SS..  trans-148.9144.4-17170.90000113.7S51S51-S54 PolarHBondContact N-O 3.17Å; S51-S54 PolarHBondContact OG-N 3.2Å; S51-S54 PolarHBondContact OG-O 3.25Å; S51-S54 PolarHBondContact OG-OG 2.89Å
55K87.9Confident91.6Very high130 Ų13065.4 Ų65.457%0.56534%0.343SS*.EExtended strand (participates in β ladder)trans-116.8115.2165.8-179.7178.1178.5-170.20107.6T48 K50T48-K55 HydrophobicContact CG2-CD 4.29Å; T48-K55 HydrophobicContact CG2-CG 3.72Å; K50-K55 HydrophobicContact CG-CD 4.43Å; K50-K55 HydrophobicContact CG-CG 4.03Å
56I88.4Confident91.9Very high46 Ų4663.8 Ų63.824%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-112101.9-176.3-53.6178.6000107.7T48 V49 V59 I97T48-I56 CarbonylContact C-O 3.28Å; T48-I56 WeakPolarHBondContact CA-O 3.39Å; V49-I56 PolarHBondContact N-O 2.88Å; V49-I56 PolarHBondContact O-N 3.27Å; I56-V59 HydrophobicContact CG2-CG1 3.62Å; I56-V59 HydrophobicContact CG2-CG2 4.38Å; I56-I97 HydrophobicContact CD1-CD1 4.02Å; I56-I97 HydrophobicContact CG2-CD1 3.73Å
57P91.9Very high92.1Very high20 Ų2066.8 Ų66.813%0.1334%0.341CS..EExtended strand (participates in β ladder)trans-75.6160.7-179.532-35.6000111.8T48 V59 R112 I191T48-P57 HydrophobicContact CG2-CB 4.44Å; P57-V59 PolarHBondContact O-N 3.17Å; P57-R112 PolarHBondContact O-NH1 2.93Å; P57-R112 PolarHBondContact O-NH2 3.41Å; P57-I191 HydrophobicContact CG-CD1 4.08Å; P57-I191 HydrophobicContact CG-CG1 4.35Å
58S92.2Very high92.4Very high58 Ų5860.1 Ų60.141%0.40632%0.316SS..EExtended strand (participates in β ladder)trans49.957.9166.4-45.40000115.5R47 R112R47-S58 PolarHBondContact O-N 3.41Å; R47-S58 VanDerWaalsContact O-N 3.16Å; S58-R112 PolarHBondContact O-NH1 3.47Å
59V95.4Very high92.7Very high2 Ų256.9 Ų56.91%0.01230%0.296CS..EExtended strand (participates in β ladder)trans-126.2156.4177.1-68.70000111.6R47 V49 I56 P57 I97 H110 Y111 R112R47-V59 PolarHBondContact N-O 3.34Å; R47-V59 WeakPolarHBondContact O-CG2 3.5Å; R47-V59 PolarHBondContact O-N 3.4Å; V49-V59 HydrophobicContact CB-CG2 4.34Å; V49-V59 HydrophobicContact CG2-CG2 3.71Å; I56-V59 HydrophobicContact CG2-CG1 3.62Å; I56-V59 HydrophobicContact CG2-CG2 4.38Å; P57-V59 PolarHBondContact O-N 3.17Å; V59-I97 HydrophobicContact CG1-CD1 4.2Å; V59-I97 HydrophobicContact CG1-CG2 4.07Å; V59-H110 HydrophobicContact CB-CB 4.17Å; V59-H110 HydrophobicContact CG1-CB 4.29Å; V59-Y111 VanDerWaalsContact CA-O 3.29Å; V59-Y111 WeakPolarHBondContact CA-O 3.27Å; V59-R112 HydrophobicContact CG1-CG 4.13Å
60V97Very high93.1Very high4 Ų456.7 Ų56.72%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-127.6149.5172.7580000108.8V44 D64 I65 H110 Y111 F113V44-V60 HydrophobicContact CB-CG2 3.78Å; V44-V60 HydrophobicContact CG1-CG2 4.48Å; V44-V60 HydrophobicContact CG2-CB 4.29Å; V44-V60 HydrophobicContact CG2-CG2 3.58Å; V60-D64 HydrophobicContact CG2-CB 3.95Å; V60-I65 HydrophobicContact CG1-CD1 3.64Å; V60-I65 HydrophobicContact CG1-CG1 4.01Å; V60-I65 HydrophobicContact CG2-CD1 4.43Å; V60-I65 HydrophobicContact CG2-CG1 3.96Å; V60-H110 WeakPolarHBondContact O-CA 3.21Å; V60-Y111 PolarHBondContact N-O 3.02Å; V60-Y111 PolarHBondContact O-N 3.44Å; V60-F113 HydrophobicContact CG1-CE2 3.96Å; V60-F113 HydrophobicContact CG1-CZ 4.14Å
61S97.4Very high93.5Very high23 Ų2357.3 Ų57.316%0.16130%0.295CS..EExtended strand (participates in β ladder)trans-79.7152.2175.278.10000111.6A63 D64 I65 T109S61-A63 VanDerWaalsContact C-N 3.32Å; S61-D64 PolarHBondContact O-N 3.17Å; S61-D64 WeakPolarHBondContact OG-CB 3.47Å; S61-D64 PolarHBondContact OG-N 3.07Å; S61-D64 VanDerWaalsContact OG-N 3.14Å; S61-D64 PolarHBondContact OG-OD2 3.43Å; S61-I65 PolarHBondContact O-N 2.96Å; S61-T109 CarbonylContact C-O 3.54Å; S61-T109 WeakPolarHBondContact CA-O 3.3Å
62G98.1Very high94Very high0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-60.8-43.2175.900000112.2D64 I65 V66 K105 D107 T109G62-D64 VanDerWaalsContact C-N 3.33Å; G62-D64 PolarHBondContact O-N 3.09Å; G62-I65 PolarHBondContact O-N 2.85Å; G62-I65 VanDerWaalsContact O-N 3.12Å; G62-V66 WeakPolarHBondContact O-CG2 3.38Å; G62-V66 PolarHBondContact O-N 3.43Å; G62-K105 CarbonylContact C-O 3.4Å; G62-K105 VanDerWaalsContact CA-O 3.26Å; G62-K105 WeakPolarHBondContact CA-O 3.43Å; G62-D107 PolarHBondContact N-O 2.78Å; G62-T109 PolarHBondContact N-O 3.3Å
63A98.2Very high94.7Very high23 Ų2349.7 Ų49.719%0.1926%0.259CS..Hα-helixtrans-57.3-41.6175.500000113.1S61 I65 V66 Q67 D106 D107S61-A63 VanDerWaalsContact C-N 3.32Å; A63-I65 VanDerWaalsContact C-N 3.33Å; A63-I65 PolarHBondContact O-N 2.85Å; A63-V66 PolarHBondContact O-N 3.21Å; A63-Q67 WeakPolarHBondContact O-CB 3.37Å; A63-Q67 VanDerWaalsContact O-CG 3.29Å; A63-Q67 WeakPolarHBondContact O-CG 3.35Å; A63-Q67 PolarHBondContact O-N 3.23Å; A63-D106 WeakPolarHBondContact CA-OD1 3.37Å; A63-D107 PolarHBondContact N-O 2.99Å
64D98.1Very high95.6Very high56 Ų5647.4 Ų47.430%0.29926%0.255SS..Hα-helixtrans-63.4-39.1177-66-42.8000111.7V44 V60 S61 G62 W68V44-D64 HydrophobicContact CG1-CB 4.36Å; V44-D64 WeakPolarHBondContact CG1-O 3.41Å; V60-D64 HydrophobicContact CG2-CB 3.95Å; S61-D64 PolarHBondContact O-N 3.17Å; S61-D64 WeakPolarHBondContact OG-CB 3.47Å; S61-D64 PolarHBondContact OG-N 3.07Å; S61-D64 VanDerWaalsContact OG-N 3.14Å; S61-D64 PolarHBondContact OG-OD2 3.43Å; G62-D64 VanDerWaalsContact C-N 3.33Å; G62-D64 PolarHBondContact O-N 3.09Å; D64-W68 VanDerWaalsContact O-CB 3.29Å; D64-W68 WeakPolarHBondContact O-CB 3.37Å; D64-W68 PolarHBondContact O-N 3.07Å
65I98.4Very high96.4Very high1 Ų145.8 Ų45.81%0.00524%0.243CC..Hα-helixtrans-65.9-46.9176.8-64.2163.1000110.3V60 S61 G62 A63 W68 L69 I94 L104 Y111V60-I65 HydrophobicContact CG1-CD1 3.64Å; V60-I65 HydrophobicContact CG1-CG1 4.01Å; V60-I65 HydrophobicContact CG2-CD1 4.43Å; V60-I65 HydrophobicContact CG2-CG1 3.96Å; S61-I65 PolarHBondContact O-N 2.96Å; G62-I65 PolarHBondContact O-N 2.85Å; G62-I65 VanDerWaalsContact O-N 3.12Å; A63-I65 VanDerWaalsContact C-N 3.33Å; A63-I65 PolarHBondContact O-N 2.85Å; I65-W68 PolarHBondContact O-N 2.72Å; I65-L69 HydrophobicContact CG2-CD1 4.04Å; I65-L69 HydrophobicContact CG2-CG 4.4Å; I65-L69 WeakPolarHBondContact O-CG 3.41Å; I65-L69 PolarHBondContact O-N 3.22Å; I65-I94 HydrophobicContact CD1-CD1 4.25Å; I65-I94 HydrophobicContact CG2-CD1 4.43Å; I65-L104 HydrophobicContact CB-CD1 4.3Å; I65-L104 HydrophobicContact CB-CD2 4.41Å; I65-L104 HydrophobicContact CD1-CD1 4.11Å; I65-L104 HydrophobicContact CG2-CD1 4.36Å; I65-L104 HydrophobicContact CG2-CD2 3.85Å; I65-Y111 HydrophobicContact CD1-CD2 4.24Å; I65-Y111 HydrophobicContact CD1-CG 4.12Å
66V98.6Very high96.8Very high1 Ų148.4 Ų48.41%0.00626%0.257CS..Hα-helixtrans-60.8-48.9179.7174.30000110.6G62 A63 W68 L69 M70 A81 I82 L104 D106G62-V66 WeakPolarHBondContact O-CG2 3.38Å; G62-V66 PolarHBondContact O-N 3.43Å; A63-V66 PolarHBondContact O-N 3.21Å; V66-W68 VanDerWaalsContact C-N 3.29Å; V66-W68 PolarHBondContact O-N 3.05Å; V66-L69 PolarHBondContact O-N 3.39Å; V66-L69 VanDerWaalsContact O-N 3.16Å; V66-M70 HydrophobicContact CG1-SD 4.28Å; V66-M70 WeakPolarHBondContact O-CG 3.22Å; V66-M70 PolarHBondContact O-N 3.34Å; V66-A81 HydrophobicContact CG1-CB 4.26Å; V66-I82 HydrophobicContact CG1-CG1 4.04Å; V66-I82 HydrophobicContact CG2-CG1 3.88Å; V66-L104 HydrophobicContact CG2-CD2 3.64Å; V66-L104 HydrophobicContact CG2-CG 4.08Å; V66-D106 HydrophobicContact CG1-CB 4.5Å; V66-D106 HydrophobicContact CG2-CB 4.07Å
67Q98.3Very high97.3Very high126 Ų12650.4 Ų50.459%0.58927%0.268SS*.Hα-helixtrans-60.3-39.3177.1-73.1-178.5-8.700112.3A63 K71A63-Q67 WeakPolarHBondContact O-CB 3.37Å; A63-Q67 VanDerWaalsContact O-CG 3.29Å; A63-Q67 WeakPolarHBondContact O-CG 3.35Å; A63-Q67 PolarHBondContact O-N 3.23Å; Q67-K71 WeakPolarHBondContact O-CB 3.49Å; Q67-K71 PolarHBondContact O-N 3.44Å; Q67-K71 VanDerWaalsContact O-N 3.07Å
68W98.4Very high97.5Very high16 Ų1652.2 Ų52.26%0.06128%0.28CS..Hα-helixtrans-63.7-44.9175.5-171.999.5000111.6I32 R35 I36 G42 V44 D64 I65 V66 K71 N72I32-W68 HydrophobicContact CG2-CZ3 4.27Å; R35-W68 VanDerWaalsContact C-CZ2 3.49Å; R35-W68 HydrophobicContact CB-CH2 3.66Å; R35-W68 HydrophobicContact CB-CZ2 3.77Å; R35-W68 WeakPolarHBondContact O-CZ2 3.48Å; I36-W68 HydrophobicContact CB-CD2 4.45Å; I36-W68 HydrophobicContact CB-CE3 4.44Å; I36-W68 HydrophobicContact CB-CZ3 4.49Å; I36-W68 HydrophobicContact CD1-CE3 3.98Å; I36-W68 HydrophobicContact CD1-CZ3 3.99Å; I36-W68 HydrophobicContact CG1-CD2 3.68Å; I36-W68 HydrophobicContact CG1-CE3 3.25Å; I36-W68 HydrophobicContact CG1-CH2 3.66Å; I36-W68 HydrophobicContact CG1-CZ2 4.04Å; I36-W68 HydrophobicContact CG1-CZ3 3.25Å; G42-W68 VanDerWaalsContact O-CD1 3.29Å; G42-W68 PolarHBondContact O-NE1 3.01Å; V44-W68 HydrophobicContact CG1-CB 3.54Å; V44-W68 HydrophobicContact CG1-CG 3.8Å; D64-W68 VanDerWaalsContact O-CB 3.29Å; D64-W68 WeakPolarHBondContact O-CB 3.37Å; D64-W68 PolarHBondContact O-N 3.07Å; I65-W68 PolarHBondContact O-N 2.72Å; V66-W68 VanDerWaalsContact C-N 3.29Å; V66-W68 PolarHBondContact O-N 3.05Å; W68-K71 PolarHBondContact O-N 3Å; W68-N72 VanDerWaalsContact CD1-ND2 3.31Å; W68-N72 HydrophobicContact CD2-CB 4.09Å; W68-N72 VanDerWaalsContact CD2-ND2 3.34Å; W68-N72 VanDerWaalsContact CE2-ND2 3.26Å; W68-N72 HydrophobicContact CE3-CB 4.06Å; W68-N72 HydrophobicContact CH2-CB 3.86Å; W68-N72 HydrophobicContact CZ2-CB 3.86Å; W68-N72 HydrophobicContact CZ3-CB 3.94Å; W68-N72 PolarHBondContact NE1-ND2 3.33Å; W68-N72 VanDerWaalsContact NE1-ND2 3.2Å; W68-N72 WeakPolarHBondContact O-CB 3.38Å; W68-N72 PolarHBondContact O-N 3.32Å; W68-N72 PolarHBondContact O-ND2 3.32Å
69L98.6Very high97.8Very high1 Ų152.2 Ų52.21%0.00528%0.283CS..Hα-helixtrans-61.2-48.8178.7-72.3170.2000111I32 I36 I65 V66 K71 L73 A81 L84 L104I32-L69 HydrophobicContact CG2-CD2 3.93Å; I36-L69 HydrophobicContact CD1-CD2 4.07Å; I65-L69 HydrophobicContact CG2-CD1 4.04Å; I65-L69 HydrophobicContact CG2-CG 4.4Å; I65-L69 WeakPolarHBondContact O-CG 3.41Å; I65-L69 PolarHBondContact O-N 3.22Å; V66-L69 PolarHBondContact O-N 3.39Å; V66-L69 VanDerWaalsContact O-N 3.16Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.34Å; L69-L73 HydrophobicContact CD2-CD1 3.7Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 PolarHBondContact O-N 2.92Å; L69-A81 HydrophobicContact CB-CB 4.25Å; L69-L84 HydrophobicContact CD2-CD2 4.46Å; L69-L104 HydrophobicContact CD1-CD2 4.39Å
70M98.4Very high98Very high49 Ų4957.6 Ų57.624%0.24131%0.309CS..Hα-helixtrans-55.3-49.6177.2-69.8-177.175.700112V66 S74 I75 P78 A81V66-M70 HydrophobicContact CG1-SD 4.28Å; V66-M70 WeakPolarHBondContact O-CG 3.22Å; V66-M70 PolarHBondContact O-N 3.34Å; M70-S74 WeakPolarHBondContact O-CA 3.44Å; M70-S74 PolarHBondContact O-N 2.89Å; M70-S74 VanDerWaalsContact O-N 3.15Å; M70-I75 PolarHBondContact O-N 3.45Å; M70-P78 HydrophobicContact CE-CB 4.3Å; M70-P78 HydrophobicContact CE-CG 3.72Å; M70-P78 HydrophobicContact SD-CB 4.1Å; M70-P78 HydrophobicContact SD-CG 4.1Å; M70-A81 HydrophobicContact CG-CB 3.52Å
71K97.8Very high98.1Very high169 Ų16957.4 Ų57.474%0.73531%0.307SS*.Hα-helixtrans-68.7-47-177.2-178.4-178.7174.7-174.80113.1Q67 W68 L69Q67-K71 WeakPolarHBondContact O-CB 3.49Å; Q67-K71 PolarHBondContact O-N 3.44Å; Q67-K71 VanDerWaalsContact O-N 3.07Å; W68-K71 PolarHBondContact O-N 3Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.34Å
72N97.5Very high98.1Very high63 Ų6358.6 Ų58.634%0.33731%0.311SS..Hα-helixtrans-90.1-16.4-168.5-67.8-84.8000113.6W68W68-N72 VanDerWaalsContact CD1-ND2 3.31Å; W68-N72 HydrophobicContact CD2-CB 4.09Å; W68-N72 VanDerWaalsContact CD2-ND2 3.34Å; W68-N72 VanDerWaalsContact CE2-ND2 3.26Å; W68-N72 HydrophobicContact CE3-CB 4.06Å; W68-N72 HydrophobicContact CH2-CB 3.86Å; W68-N72 HydrophobicContact CZ2-CB 3.86Å; W68-N72 HydrophobicContact CZ3-CB 3.94Å; W68-N72 PolarHBondContact NE1-ND2 3.33Å; W68-N72 VanDerWaalsContact NE1-ND2 3.2Å; W68-N72 WeakPolarHBondContact O-CB 3.38Å; W68-N72 PolarHBondContact O-N 3.32Å; W68-N72 PolarHBondContact O-ND2 3.32Å
73L97.4Very high98.1Very high51 Ų5164.3 Ų64.327%0.26734%0.338SS..Hα-helixtrans-108.54.6173.6-53.8-178.8000112.7I32 L69 I75 L84I32-L73 HydrophobicContact CD1-CD1 4.25Å; L69-L73 HydrophobicContact CD2-CD1 3.7Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 PolarHBondContact O-N 2.92Å; L73-I75 VanDerWaalsContact C-N 3.31Å; L73-I75 HydrophobicContact CB-CD1 3.96Å; L73-I75 HydrophobicContact CB-CG1 3.99Å; L73-I75 HydrophobicContact CD1-CD1 4.23Å; L73-I75 PolarHBondContact O-N 3.03Å; L73-L84 HydrophobicContact CD1-CD2 3.56Å
74S97.7Very high98.2Very high106 Ų10665.3 Ų65.374%0.74134%0.34SS*.THydrogen-bonded Turntrans54.743.7-178.6-55.20000113.1M70M70-S74 WeakPolarHBondContact O-CA 3.44Å; M70-S74 PolarHBondContact O-N 2.89Å; M70-S74 VanDerWaalsContact O-N 3.15Å
75I98.3Very high98.2Very high16 Ų1662.7 Ų62.78%0.08233%0.326CS..  trans-89.4119.6177.7-58.8167000108.5M70 L73 D77 E80 A81 L84M70-I75 PolarHBondContact O-N 3.45Å; L73-I75 VanDerWaalsContact C-N 3.31Å; L73-I75 HydrophobicContact CB-CD1 3.96Å; L73-I75 HydrophobicContact CB-CG1 3.99Å; L73-I75 HydrophobicContact CD1-CD1 4.23Å; L73-I75 PolarHBondContact O-N 3.03Å; I75-D77 VanDerWaalsContact CG2-O 3.28Å; I75-D77 WeakPolarHBondContact CG2-O 3.49Å; I75-E80 HydrophobicContact CG2-CB 3.72Å; I75-E80 HydrophobicContact CG2-CG 3.86Å; I75-A81 HydrophobicContact CB-CB 4.46Å; I75-A81 HydrophobicContact CD1-CB 4.19Å; I75-A81 HydrophobicContact CG2-CB 4.08Å; I75-L84 HydrophobicContact CD1-CD2 4.02Å
76E97.5Very high98.2Very high186 Ų18663.7 Ų63.787%0.86933%0.333SS*.  trans-81.2-40-178.1-63.9-174.3174.800112.5P78E76-P78 WeakPolarHBondContact O-CD 3.4Å
77D97.8Very high98.2Very high88 Ų8866.8 Ų66.847%0.47135%0.349SS..  trans-87.6117.4179.8-177.54.1000111.2I75 A79 E80 A81I75-D77 VanDerWaalsContact CG2-O 3.28Å; I75-D77 WeakPolarHBondContact CG2-O 3.49Å; D77-A79 PolarHBondContact O-N 2.93Å; D77-A79 VanDerWaalsContact O-N 3.16Å; D77-A79 WeakPolarHBondContact OD1-CB 3.48Å; D77-A79 PolarHBondContact OD1-N 3.5Å; D77-E80 HydrophobicContact CB-CB 4.31Å; D77-E80 PolarHBondContact O-N 3.47Å; D77-E80 VanDerWaalsContact O-N 3.09Å; D77-A81 PolarHBondContact O-N 2.99Å
78P97.6Very high98.2Very high57 Ų5760.9 Ų60.937%0.3732%0.322SS..Hα-helixtrans-54.2-33174.2-23.331.9000113.5M70 E76 E80 A81 I82M70-P78 HydrophobicContact CE-CB 4.3Å; M70-P78 HydrophobicContact CE-CG 3.72Å; M70-P78 HydrophobicContact SD-CB 4.1Å; M70-P78 HydrophobicContact SD-CG 4.1Å; E76-P78 WeakPolarHBondContact O-CD 3.4Å; P78-E80 VanDerWaalsContact C-N 3.32Å; P78-E80 PolarHBondContact O-N 3.34Å; P78-A81 PolarHBondContact O-N 3.06Å; P78-I82 WeakPolarHBondContact O-CD1 3.46Å; P78-I82 VanDerWaalsContact O-CG1 3.23Å; P78-I82 WeakPolarHBondContact O-CG1 3.33Å; P78-I82 PolarHBondContact O-N 3.27Å
79A98.3Very high98.2Very high59 Ų5960.1 Ų60.149%0.48832%0.319SS..Hα-helixtrans-64.6-36.9179.700000112D77 H83D77-A79 PolarHBondContact O-N 2.93Å; D77-A79 VanDerWaalsContact O-N 3.16Å; D77-A79 WeakPolarHBondContact OD1-CB 3.48Å; D77-A79 PolarHBondContact OD1-N 3.5Å; A79-H83 VanDerWaalsContact O-CB 3.28Å; A79-H83 WeakPolarHBondContact O-CB 3.47Å; A79-H83 PolarHBondContact O-N 3.49Å
80E98.6Very high98.2Very high115 Ų11561.3 Ų61.354%0.53733%0.329SS..Hα-helixtrans-66-42.7174.3-179.9177.5-168.100111.2I75 D77 P78 H83 L84I75-E80 HydrophobicContact CG2-CB 3.72Å; I75-E80 HydrophobicContact CG2-CG 3.86Å; D77-E80 HydrophobicContact CB-CB 4.31Å; D77-E80 PolarHBondContact O-N 3.47Å; D77-E80 VanDerWaalsContact O-N 3.09Å; P78-E80 VanDerWaalsContact C-N 3.32Å; P78-E80 PolarHBondContact O-N 3.34Å; E80-H83 PolarHBondContact O-N 3.1Å; E80-L84 WeakPolarHBondContact O-CB 3.46Å; E80-L84 PolarHBondContact O-N 3.5Å
81A98.5Very high98.2Very high0 Ų060.6 Ų60.60%032%0.324CS..Hα-helixtrans-64.6-42.6177.500000112.1V66 L69 M70 I75 D77 P78 H83 G85V66-A81 HydrophobicContact CG1-CB 4.26Å; L69-A81 HydrophobicContact CB-CB 4.25Å; M70-A81 HydrophobicContact CG-CB 3.52Å; I75-A81 HydrophobicContact CB-CB 4.46Å; I75-A81 HydrophobicContact CD1-CB 4.19Å; I75-A81 HydrophobicContact CG2-CB 4.08Å; D77-A81 PolarHBondContact O-N 2.99Å; P78-A81 PolarHBondContact O-N 3.06Å; A81-H83 VanDerWaalsContact C-N 3.34Å; A81-G85 PolarHBondContact O-N 3.48Å
82I98.6Very high98.2Very high48 Ų4852.7 Ų52.725%0.24629%0.291CS..Hα-helixtrans-63.2-41.6174.5-66.7162.7000110.5V66 P78 S86 D106V66-I82 HydrophobicContact CG1-CG1 4.04Å; V66-I82 HydrophobicContact CG2-CG1 3.88Å; P78-I82 WeakPolarHBondContact O-CD1 3.46Å; P78-I82 VanDerWaalsContact O-CG1 3.23Å; P78-I82 WeakPolarHBondContact O-CG1 3.33Å; P78-I82 PolarHBondContact O-N 3.27Å; I82-S86 VanDerWaalsContact O-CB 3.25Å; I82-S86 WeakPolarHBondContact O-CB 3.47Å; I82-S86 PolarHBondContact O-N 3.32Å; I82-S86 PolarHBondContact O-OG 2.99Å; I82-D106 HydrophobicContact CD1-CB 3.72Å; I82-D106 HydrophobicContact CG1-CB 4.05Å
83H98.7Very high98.2Very high119 Ų11949.7 Ų49.755%0.55128%0.275SS*.Hα-helixtrans-63.2-50.4177.8-176.967.1000111.5A79 E80 A81 G85 S86 L87A79-H83 VanDerWaalsContact O-CB 3.28Å; A79-H83 WeakPolarHBondContact O-CB 3.47Å; A79-H83 PolarHBondContact O-N 3.49Å; E80-H83 PolarHBondContact O-N 3.1Å; A81-H83 VanDerWaalsContact C-N 3.34Å; H83-G85 PolarHBondContact O-N 2.65Å; H83-S86 WeakPolarHBondContact O-CB 3.45Å; H83-S86 PolarHBondContact O-N 3.39Å; H83-L87 WeakPolarHBondContact O-CG 3.31Å; H83-L87 PolarHBondContact O-N 2.82Å
84L98.7Very high98.3Very high45 Ų4547.4 Ų47.424%0.23626%0.263CS..Hα-helixtrans-58.9-47.1176.3176.460.9000111.6L69 L73 I75 E80 S86 L87 I88L69-L84 HydrophobicContact CD2-CD2 4.46Å; L73-L84 HydrophobicContact CD1-CD2 3.56Å; I75-L84 HydrophobicContact CD1-CD2 4.02Å; E80-L84 WeakPolarHBondContact O-CB 3.46Å; E80-L84 PolarHBondContact O-N 3.5Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 3.11Å; L84-L87 WeakPolarHBondContact O-CB 3.44Å; L84-L87 PolarHBondContact O-N 3.17Å; L84-L87 VanDerWaalsContact O-N 3.17Å; L84-I88 HydrophobicContact CD1-CD1 4.43Å; L84-I88 HydrophobicContact CG-CD1 4.24Å; L84-I88 WeakPolarHBondContact O-CG1 3.3Å; L84-I88 PolarHBondContact O-N 3.48Å
85G98.6Very high98.3Very high0 Ų042.3 Ų42.30%023%0.228CC..Hα-helixtrans-63-36.2177.300000112.9A81 H83 I88 A89A81-G85 PolarHBondContact O-N 3.48Å; H83-G85 PolarHBondContact O-N 2.65Å; G85-I88 PolarHBondContact O-N 2.86Å; G85-A89 WeakPolarHBondContact O-CB 3.24Å; G85-A89 PolarHBondContact O-N 3.47Å
86S98.6Very high98.3Very high23 Ų2341.7 Ų41.716%0.16123%0.225CC..Hα-helixtrans-67.1-36.2173.3-64.70000112.2I82 H83 L84 A89 A90 L104I82-S86 VanDerWaalsContact O-CB 3.25Å; I82-S86 WeakPolarHBondContact O-CB 3.47Å; I82-S86 PolarHBondContact O-N 3.32Å; I82-S86 PolarHBondContact O-OG 2.99Å; H83-S86 WeakPolarHBondContact O-CB 3.45Å; H83-S86 PolarHBondContact O-N 3.39Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 3.11Å; S86-A89 WeakPolarHBondContact O-CB 3.49Å; S86-A89 PolarHBondContact O-N 2.89Å; S86-A90 WeakPolarHBondContact O-CB 3.26Å; S86-A90 PolarHBondContact O-N 2.89Å; S86-L104 PolarHBondContact OG-N 3.32Å; S86-L104 PolarHBondContact OG-O 3.11Å
87L98.6Very high98.2Very high66 Ų6634.7 Ų34.735%0.34619%0.193SC..Hα-helixtrans-65.5-42.5172.2-70.9173.9000111.5M29 H83 L84 A89 A90 H91M29-L87 HydrophobicContact CE-CB 4.46Å; H83-L87 WeakPolarHBondContact O-CG 3.31Å; H83-L87 PolarHBondContact O-N 2.82Å; L84-L87 WeakPolarHBondContact O-CB 3.44Å; L84-L87 PolarHBondContact O-N 3.17Å; L84-L87 VanDerWaalsContact O-N 3.17Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 3.28Å; L87-A90 PolarHBondContact O-N 3.15Å; L87-H91 PolarHBondContact O-N 3.44Å; L87-H91 VanDerWaalsContact O-N 3.09Å; L87-H91 PolarHBondContact O-ND1 2.87Å
88I98.6Very high97.9Very high2 Ų235.4 Ų35.41%0.0121%0.205CC..Hα-helixtrans-60.4-39.7174.3-66.3169000110.4M29 I32 V33 L84 G85 G92 Y93 I94M29-I88 HydrophobicContact CG-CG1 4.31Å; I32-I88 HydrophobicContact CG2-CD1 3.88Å; V33-I88 HydrophobicContact CG2-CG2 3.76Å; L84-I88 HydrophobicContact CD1-CD1 4.43Å; L84-I88 HydrophobicContact CG-CD1 4.24Å; L84-I88 WeakPolarHBondContact O-CG1 3.3Å; L84-I88 PolarHBondContact O-N 3.48Å; G85-I88 PolarHBondContact O-N 2.86Å; I88-G92 PolarHBondContact O-N 3.49Å; I88-Y93 HydrophobicContact CG2-CD2 4.4Å; I88-Y93 HydrophobicContact CG2-CG 4.45Å; I88-Y93 PolarHBondContact O-N 2.86Å; I88-I94 HydrophobicContact CG2-CD1 4.35Å; I88-I94 HydrophobicContact CG2-CG1 4.18Å
89A98.6Very high97.7Very high0 Ų035.2 Ų35.20%020%0.201CC..Hα-helixtrans-65.3-47.8175.200000112.5G85 S86 L87 H91 G92 I94G85-A89 WeakPolarHBondContact O-CB 3.24Å; G85-A89 PolarHBondContact O-N 3.47Å; S86-A89 WeakPolarHBondContact O-CB 3.49Å; S86-A89 PolarHBondContact O-N 2.89Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 3.28Å; A89-H91 PolarHBondContact O-N 3.21Å; A89-G92 WeakPolarHBondContact O-CA 3.32Å; A89-G92 PolarHBondContact O-N 3.31Å; A89-I94 VanDerWaalsContact CA-O 3.24Å; A89-I94 WeakPolarHBondContact CA-O 3.36Å; A89-I94 HydrophobicContact CB-CD1 4.22Å; A89-I94 HydrophobicContact CB-CG1 3.67Å
90A98.3Very high97.6Very high26 Ų2634.3 Ų34.322%0.21519%0.186CC..Hα-helixtrans-63.8-23.1-179.400000113.6S86 L87 G92 L102 T212S86-A90 WeakPolarHBondContact O-CB 3.26Å; S86-A90 PolarHBondContact O-N 2.89Å; L87-A90 PolarHBondContact O-N 3.15Å; A90-G92 VanDerWaalsContact C-N 3.31Å; A90-L102 PolarHBondContact N-O 3.41Å; A90-T212 HydrophobicContact CB-CG2 3.87Å; A90-T212 WeakPolarHBondContact O-CG2 3.44Å; A90-T212 PolarHBondContact O-OG1 3.27Å
91H97.8Very high97.6Very high33 Ų3331 Ų3115%0.15317%0.173CC..THydrogen-bonded Turntrans-87.91.3171.2-69.984.1000113.3Y26 M29 L87 A89 Y93 P120Y26-H91 AromaticContact CE1-CD2 3.89Å; M29-H91 HydrophobicContact SD-CB 4.12Å; L87-H91 PolarHBondContact O-N 3.44Å; L87-H91 VanDerWaalsContact O-N 3.09Å; L87-H91 PolarHBondContact O-ND1 2.87Å; A89-H91 PolarHBondContact O-N 3.21Å; H91-Y93 HydrophobicContact CB-CD2 3.96Å; H91-Y93 HydrophobicContact CB-CE2 3.98Å; H91-P120 WeakPolarHBondContact O-CG 3.45Å
92G97.8Very high97.6Very high3 Ų331.6 Ų31.63%0.03118%0.177CC..THydrogen-bonded Turntrans85.213.4171.100000115.5I88 A89 A90 Q114 V202I88-G92 PolarHBondContact O-N 3.49Å; A89-G92 WeakPolarHBondContact O-CA 3.32Å; A89-G92 PolarHBondContact O-N 3.31Å; A90-G92 VanDerWaalsContact C-N 3.31Å; G92-Q114 WeakPolarHBondContact O-CB 3.41Å; G92-Q114 WeakPolarHBondContact O-CG 3.5Å; G92-V202 VanDerWaalsContact CA-CG2 3.45Å
93Y98.6Very high97.6Very high0 Ų031.8 Ų31.80%018%0.18CC..SBendtrans-79.5-31.3178.1-68.8-73.9000113Y26 M29 E30 V33 I88 H91 Q114 W119 P120Y26-Y93 WeakPolarHBondContact CA-OH 3.47Å; Y26-Y93 WeakPolarHBondContact CB-OH 3.48Å; Y26-Y93 PolarHBondContact O-OH 3.18Å; M29-Y93 HydrophobicContact CB-CD2 4.03Å; M29-Y93 HydrophobicContact CB-CE2 3.65Å; M29-Y93 HydrophobicContact CG-CE2 4.39Å; M29-Y93 HydrophobicContact SD-CD2 4.24Å; M29-Y93 HydrophobicContact SD-CE2 3.87Å; E30-Y93 HydrophobicContact CG-CD1 4.18Å; E30-Y93 HydrophobicContact CG-CE1 3.26Å; E30-Y93 WeakPolarHBondContact CG-OH 3.49Å; E30-Y93 PolarHBondContact OE1-OH 3.5Å; V33-Y93 HydrophobicContact CG2-CD1 4.33Å; V33-Y93 HydrophobicContact CG2-CG 4.04Å; I88-Y93 HydrophobicContact CG2-CD2 4.4Å; I88-Y93 HydrophobicContact CG2-CG 4.45Å; I88-Y93 PolarHBondContact O-N 2.86Å; H91-Y93 HydrophobicContact CB-CD2 3.96Å; H91-Y93 HydrophobicContact CB-CE2 3.98Å; Y93-Q114 WeakPolarHBondContact O-CB 3.4Å; Y93-Q114 PolarHBondContact O-N 3.37Å; Y93-W119 AromaticContact CD1-CD1 3.7Å; Y93-W119 AromaticContact CD1-CD2 3.92Å; Y93-W119 HydrophobicContact CD1-CD2 3.92Å; Y93-W119 AromaticContact CD1-CE2 3.83Å; Y93-W119 AromaticContact CD1-CG 3.83Å; Y93-W119 HydrophobicContact CD1-CG 3.83Å; Y93-W119 AromaticContact CD1-NE1 3.72Å; Y93-W119 HydrophobicContact CE1-CB 3.9Å; Y93-W119 AromaticContact CE1-CD1 3.9Å; Y93-W119 AromaticContact CE1-CD2 3.65Å; Y93-W119 HydrophobicContact CE1-CD2 3.65Å; Y93-W119 HydrophobicContact CE1-CE3 4.15Å; Y93-W119 AromaticContact CE1-CG 3.55Å; Y93-W119 HydrophobicContact CE1-CG 3.55Å; Y93-P120 HydrophobicContact CE1-CG 4.33Å; Y93-P120 HydrophobicContact CE2-CG 3.78Å; Y93-P120 WeakPolarHBondContact OH-CG 3.18Å
94I98.2Very high97.5Very high3 Ų326.4 Ų26.42%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-131.3151.1171.364.3178.1000108.8I65 I88 A89 L104 R112 F113I65-I94 HydrophobicContact CD1-CD1 4.25Å; I65-I94 HydrophobicContact CG2-CD1 4.43Å; I88-I94 HydrophobicContact CG2-CD1 4.35Å; I88-I94 HydrophobicContact CG2-CG1 4.18Å; A89-I94 VanDerWaalsContact CA-O 3.24Å; A89-I94 WeakPolarHBondContact CA-O 3.36Å; A89-I94 HydrophobicContact CB-CD1 4.22Å; A89-I94 HydrophobicContact CB-CG1 3.67Å; I94-L104 HydrophobicContact CD1-CD1 4.48Å; I94-R112 CarbonylContact C-O 3.56Å; I94-R112 VanDerWaalsContact CA-O 3.26Å; I94-R112 WeakPolarHBondContact CA-O 3Å; I94-F113 HydrophobicContact CG2-CD1 3.48Å; I94-F113 VanDerWaalsContact CG2-CD1 3.48Å; I94-F113 HydrophobicContact CG2-CE1 3.65Å; I94-F113 HydrophobicContact CG2-CG 4.43Å
95F98.6Very high97.5Very high0 Ų028.3 Ų28.30%016%0.162CC..EExtended strand (participates in β ladder)trans-149.6142.7-179.757.8-89.5000112.3L102 Y111 R112 Q114 S194 Q195 A198F95-L102 HydrophobicContact CB-CD2 3.71Å; F95-Y111 CarbonylContact O-C 3.29Å; F95-Y111 VanDerWaalsContact O-CA 3.29Å; F95-Y111 WeakPolarHBondContact O-CA 3.43Å; F95-R112 HydrophobicContact CD1-CB 4.47Å; F95-R112 HydrophobicContact CD2-CB 4.32Å; F95-R112 HydrophobicContact CE1-CB 3.91Å; F95-R112 HydrophobicContact CE2-CB 3.75Å; F95-R112 HydrophobicContact CE2-CG 4.35Å; F95-R112 HydrophobicContact CZ-CB 3.52Å; F95-R112 HydrophobicContact CZ-CG 4.37Å; F95-R112 PolarHBondContact N-O 3Å; F95-R112 PolarHBondContact O-N 3.26Å; F95-Q114 HydrophobicContact CD1-CB 4.29Å; F95-Q114 HydrophobicContact CE1-CB 4.17Å; F95-S194 WeakPolarHBondContact CE2-O 3.3Å; F95-Q195 HydrophobicContact CE1-CG 4.19Å; F95-Q195 HydrophobicContact CZ-CB 4.45Å; F95-Q195 HydrophobicContact CZ-CG 3.85Å; F95-A198 HydrophobicContact CB-CB 3.64Å; F95-A198 HydrophobicContact CD1-CB 3.38Å; F95-A198 HydrophobicContact CD2-CB 3.59Å; F95-A198 HydrophobicContact CE1-CB 3.82Å; F95-A198 HydrophobicContact CE2-CB 4Å; F95-A198 HydrophobicContact CG-CB 3.25Å; F95-A198 HydrophobicContact CZ-CB 4.1Å
96P97.9Very high97.5Very high3 Ų332.1 Ų32.12%0.01918%0.182CC..EExtended strand (participates in β ladder)trans-68138.6173.527.7-32000109.9S98 D99 V101 T109 Y111 R197P96-S98 VanDerWaalsContact C-N 3.29Å; P96-S98 PolarHBondContact O-N 3.34Å; P96-D99 HydrophobicContact CB-CB 4.2Å; P96-D99 HydrophobicContact CG-CB 3.97Å; P96-V101 WeakPolarHBondContact CG-O 3.17Å; P96-T109 HydrophobicContact CB-CG2 4.36Å; P96-Y111 HydrophobicContact CB-CD1 4.12Å; P96-Y111 HydrophobicContact CB-CE1 3.74Å; P96-Y111 HydrophobicContact CG-CE1 4.21Å; P96-R197 PolarHBondContact O-NH2 3.38Å
97I94.8Very high97.4Very high39 Ų3934.2 Ų34.220%0.219%0.192CC..SBendtrans-75.1-20.8-175.564.4175.9000113.6I56 V59 H110 R112 R197I56-I97 HydrophobicContact CD1-CD1 4.02Å; I56-I97 HydrophobicContact CG2-CD1 3.73Å; V59-I97 HydrophobicContact CG1-CD1 4.2Å; V59-I97 HydrophobicContact CG1-CG2 4.07Å; I97-H110 HydrophobicContact CD1-CB 3.53Å; I97-H110 HydrophobicContact CG1-CB 3.91Å; I97-H110 WeakPolarHBondContact CG1-O 3.2Å; I97-H110 PolarHBondContact N-O 3.02Å; I97-R112 HydrophobicContact CG2-CB 4.42Å; I97-R112 HydrophobicContact CG2-CG 3.59Å; I97-R197 PolarHBondContact O-NH2 3.44Å
98S91.3Very high97.3Very high103 Ų10333.8 Ų33.872%0.7220%0.203SC*.SBendtrans-116.73.5-168.654.80000114.2P96P96-S98 VanDerWaalsContact C-N 3.29Å; P96-S98 PolarHBondContact O-N 3.34Å
99D94.6Very high97.2Very high53 Ų5335 Ų3528%0.28321%0.211SC..  trans-137.8146.9-175.4-158.3-23.1000109.6P96 V101 K105 R197P96-D99 HydrophobicContact CB-CB 4.2Å; P96-D99 HydrophobicContact CG-CB 3.97Å; D99-V101 PolarHBondContact OD1-N 3.03Å; D99-K105 IonicContact OD2-NZ 2.97Å; D99-R197 PolarHBondContact O-NH1 2.8Å
100H96.8Very high97.2Very high40 Ų4037.7 Ų37.719%0.18522%0.223CC..SBendtrans-86.2-18.9173.3-78.5-86.8000112L102 Y151 E152 D201 V206H100-L102 PolarHBondContact O-N 3.49Å; H100-Y151 PolarHBondContact ND1-OH 3.35Å; H100-E152 IonicContact CE1-OE1 3.61Å; H100-E152 IonicContact CE1-OE2 2.65Å; H100-E152 IonicContact NE2-OE2 2.68Å; H100-D201 IonicContact CE1-OD1 3.46Å; H100-D201 IonicContact CG-OD1 3.66Å; H100-D201 IonicContact ND1-OD1 3.56Å; H100-D201 PolarHBondContact ND1-OD1 3.4Å; H100-D201 IonicContact ND1-OD2 2.64Å; H100-V206 HydrophobicContact CB-CG2 3.56Å
101V97.8Very high97.2Very high44 Ų4436.5 Ų36.527%0.26721%0.213SC..SBendtrans-80.1115.8176.6-179.10000109.8P96 D99 T103 V206P96-V101 WeakPolarHBondContact CG-O 3.17Å; D99-V101 PolarHBondContact OD1-N 3.03Å; V101-T103 HydrophobicContact CG1-CG2 3.85Å; V101-T103 PolarHBondContact O-N 3.08Å; V101-V206 HydrophobicContact CG2-CB 4.47Å; V101-V206 HydrophobicContact CG2-CG2 4.23Å
102L98.2Very high97.2Very high14 Ų1435.7 Ų35.77%0.07321%0.208CC..  trans-82.277.9-176.3-61.2-177.8000112A90 F95 H100 D201 V202A90-L102 PolarHBondContact N-O 3.41Å; F95-L102 HydrophobicContact CB-CD2 3.71Å; H100-L102 PolarHBondContact O-N 3.49Å; L102-D201 HydrophobicContact CD1-CB 3.87Å; L102-D201 HydrophobicContact CD2-CB 4.04Å; L102-D201 HydrophobicContact CG-CB 3.9Å; L102-V202 HydrophobicContact CD1-CB 4.44Å; L102-V202 HydrophobicContact CD1-CG2 3.46Å; L102-V202 VanDerWaalsContact CD1-CG2 3.46Å
103T98Very high97.2Very high51 Ų5136.5 Ų36.531%0.31321%0.211SC..  trans-133151.5177.654.70000111.1V101 Y111V101-T103 HydrophobicContact CG1-CG2 3.85Å; V101-T103 PolarHBondContact O-N 3.08Å; T103-Y111 VanDerWaalsContact O-CE1 3.3Å; T103-Y111 WeakPolarHBondContact O-CE1 3.34Å; T103-Y111 PolarHBondContact O-OH 2.72Å; T103-Y111 VanDerWaalsContact O-OH 3.11Å
104L98.4Very high97.2Very high7 Ų736.7 Ų36.74%0.03721%0.212CC..  trans-91.7137.3173.3-176.363.8000110.3I65 V66 L69 S86 I94 Y111I65-L104 HydrophobicContact CB-CD1 4.3Å; I65-L104 HydrophobicContact CB-CD2 4.41Å; I65-L104 HydrophobicContact CD1-CD1 4.11Å; I65-L104 HydrophobicContact CG2-CD1 4.36Å; I65-L104 HydrophobicContact CG2-CD2 3.85Å; V66-L104 HydrophobicContact CG2-CD2 3.64Å; V66-L104 HydrophobicContact CG2-CG 4.08Å; L69-L104 HydrophobicContact CD1-CD2 4.39Å; S86-L104 PolarHBondContact OG-N 3.32Å; S86-L104 PolarHBondContact OG-O 3.11Å; I94-L104 HydrophobicContact CD1-CD1 4.48Å; L104-Y111 HydrophobicContact CD1-CD1 4.37Å; L104-Y111 HydrophobicContact CD1-CD2 4.15Å; L104-Y111 HydrophobicContact CD1-CE1 4.03Å; L104-Y111 HydrophobicContact CD1-CE2 3.79Å; L104-Y111 HydrophobicContact CD1-CG 4.46Å
105K98.1Very high97.1Very high84 Ų8438.2 Ų38.237%0.36522%0.223SC..  trans-119.5134.2176.1-60.9179.5-174.91720108.7G62 D99 D107 Y111G62-K105 CarbonylContact C-O 3.4Å; G62-K105 VanDerWaalsContact CA-O 3.26Å; G62-K105 WeakPolarHBondContact CA-O 3.43Å; D99-K105 IonicContact OD2-NZ 2.97Å; K105-D107 PolarHBondContact O-N 2.74Å; K105-Y111 PolarHBondContact N-OH 3.02Å
106D97.7Very high96.9Very high80 Ų8041.9 Ų41.943%0.42825%0.247SC..SBendtrans-81.865.9176.3-172.624.4000110.8A63 V66 I82A63-D106 WeakPolarHBondContact CA-OD1 3.37Å; V66-D106 HydrophobicContact CG1-CB 4.5Å; V66-D106 HydrophobicContact CG2-CB 4.07Å; I82-D106 HydrophobicContact CD1-CB 3.72Å; I82-D106 HydrophobicContact CG1-CB 4.05Å
107D97.1Very high96.7Very high68 Ų6847.3 Ų47.336%0.36427%0.268SS..SBendtrans-153.4-168.9-178.165.716.6000111.4G62 A63 K105 T109G62-D107 PolarHBondContact N-O 2.78Å; A63-D107 PolarHBondContact N-O 2.99Å; K105-D107 PolarHBondContact O-N 2.74Å; D107-T109 PolarHBondContact O-N 3.08Å; D107-T109 WeakPolarHBondContact OD1-CA 3.18Å; D107-T109 WeakPolarHBondContact OD1-CB 3.26Å; D107-T109 PolarHBondContact OD1-N 3.4Å; D107-T109 PolarHBondContact OD1-OG1 2.83Å; D107-T109 PolarHBondContact OD2-OG1 3.44Å
108G96.1Very high96.7Very high56 Ų5646.8 Ų46.858%0.57726%0.264SS*.SBendtrans-749.2176.600000115.3H110G108-H110 PolarHBondContact O-CE1 3.37Å; G108-H110 PolarHBondContact O-ND1 2.75Å
109T97.3Very high96.9Very high29 Ų2943.1 Ų43.118%0.17824%0.235CC..  trans-60.2137.4175.2-62.10000109.6S61 G62 P96 D107 Y111S61-T109 CarbonylContact C-O 3.54Å; S61-T109 WeakPolarHBondContact CA-O 3.3Å; G62-T109 PolarHBondContact N-O 3.3Å; P96-T109 HydrophobicContact CB-CG2 4.36Å; D107-T109 PolarHBondContact O-N 3.08Å; D107-T109 WeakPolarHBondContact OD1-CA 3.18Å; D107-T109 WeakPolarHBondContact OD1-CB 3.26Å; D107-T109 PolarHBondContact OD1-N 3.4Å; D107-T109 PolarHBondContact OD1-OG1 2.83Å; D107-T109 PolarHBondContact OD2-OG1 3.44Å; T109-Y111 HydrophobicContact CG2-CD2 4.48Å; T109-Y111 HydrophobicContact CG2-CE2 3.7Å; T109-Y111 VanDerWaalsContact O-CD2 3.3Å; T109-Y111 WeakPolarHBondContact O-CD2 3.35Å; T109-Y111 WeakPolarHBondContact O-CE2 3.43Å
110H97.6Very high96.7Very high56 Ų5641.4 Ų41.426%0.25923%0.226SC..EExtended strand (participates in β ladder)trans-94.9130.6-175.2-64.990.4000111.5V59 V60 I97 G108V59-H110 HydrophobicContact CB-CB 4.17Å; V59-H110 HydrophobicContact CG1-CB 4.29Å; V60-H110 WeakPolarHBondContact O-CA 3.21Å; I97-H110 HydrophobicContact CD1-CB 3.53Å; I97-H110 HydrophobicContact CG1-CB 3.91Å; I97-H110 WeakPolarHBondContact CG1-O 3.2Å; I97-H110 PolarHBondContact N-O 3.02Å; G108-H110 PolarHBondContact O-CE1 3.37Å; G108-H110 PolarHBondContact O-ND1 2.75Å
111Y98.3Very high96.4Very high0 Ų040.5 Ų40.50%022%0.224CC..EExtended strand (participates in β ladder)trans-115.8159178.3-64.2-96.1000111.2V59 V60 I65 F95 P96 T103 L104 K105 T109V59-Y111 VanDerWaalsContact CA-O 3.29Å; V59-Y111 WeakPolarHBondContact CA-O 3.27Å; V60-Y111 PolarHBondContact N-O 3.02Å; V60-Y111 PolarHBondContact O-N 3.44Å; I65-Y111 HydrophobicContact CD1-CD2 4.24Å; I65-Y111 HydrophobicContact CD1-CG 4.12Å; F95-Y111 CarbonylContact O-C 3.29Å; F95-Y111 VanDerWaalsContact O-CA 3.29Å; F95-Y111 WeakPolarHBondContact O-CA 3.43Å; P96-Y111 HydrophobicContact CB-CD1 4.12Å; P96-Y111 HydrophobicContact CB-CE1 3.74Å; P96-Y111 HydrophobicContact CG-CE1 4.21Å; T103-Y111 VanDerWaalsContact O-CE1 3.3Å; T103-Y111 WeakPolarHBondContact O-CE1 3.34Å; T103-Y111 PolarHBondContact O-OH 2.72Å; T103-Y111 VanDerWaalsContact O-OH 3.11Å; L104-Y111 HydrophobicContact CD1-CD1 4.37Å; L104-Y111 HydrophobicContact CD1-CD2 4.15Å; L104-Y111 HydrophobicContact CD1-CE1 4.03Å; L104-Y111 HydrophobicContact CD1-CE2 3.79Å; L104-Y111 HydrophobicContact CD1-CG 4.46Å; K105-Y111 PolarHBondContact N-OH 3.02Å; T109-Y111 HydrophobicContact CG2-CD2 4.48Å; T109-Y111 HydrophobicContact CG2-CE2 3.7Å; T109-Y111 VanDerWaalsContact O-CD2 3.3Å; T109-Y111 WeakPolarHBondContact O-CD2 3.35Å; T109-Y111 WeakPolarHBondContact O-CE2 3.43Å
112R97.9Very high95.8Very high16 Ų1640.7 Ų40.76%0.0622%0.224CC..EExtended strand (participates in β ladder)trans-124.4152.8167.7-74177.7-171.8-70.8-8.4109.7P57 S58 V59 I94 F95 I97P57-R112 PolarHBondContact O-NH1 2.93Å; P57-R112 PolarHBondContact O-NH2 3.41Å; S58-R112 PolarHBondContact O-NH1 3.47Å; V59-R112 HydrophobicContact CG1-CG 4.13Å; I94-R112 CarbonylContact C-O 3.56Å; I94-R112 VanDerWaalsContact CA-O 3.26Å; I94-R112 WeakPolarHBondContact CA-O 3Å; F95-R112 HydrophobicContact CD1-CB 4.47Å; F95-R112 HydrophobicContact CD2-CB 4.32Å; F95-R112 HydrophobicContact CE1-CB 3.91Å; F95-R112 HydrophobicContact CE2-CB 3.75Å; F95-R112 HydrophobicContact CE2-CG 4.35Å; F95-R112 HydrophobicContact CZ-CB 3.52Å; F95-R112 HydrophobicContact CZ-CG 4.37Å; F95-R112 PolarHBondContact N-O 3Å; F95-R112 PolarHBondContact O-N 3.26Å; I97-R112 HydrophobicContact CG2-CB 4.42Å; I97-R112 HydrophobicContact CG2-CG 3.59Å
113F98.1Very high95Very high21 Ų2142.1 Ų42.19%0.09224%0.235CC..EExtended strand (participates in β ladder)trans-82.6141.5165.2-59.9-80.5000111.2V33 I36 Q37 V44 I46 V60 I94V33-F113 HydrophobicContact CG1-CD1 4.02Å; I36-F113 HydrophobicContact CB-CE1 4.3Å; I36-F113 HydrophobicContact CB-CZ 4.46Å; I36-F113 HydrophobicContact CG2-CE1 3.64Å; I36-F113 HydrophobicContact CG2-CZ 3.45Å; I36-F113 VanDerWaalsContact CG2-CZ 3.45Å; Q37-F113 HydrophobicContact CG-CD1 3.77Å; Q37-F113 HydrophobicContact CG-CD2 3.85Å; Q37-F113 HydrophobicContact CG-CE1 3.91Å; Q37-F113 HydrophobicContact CG-CE2 3.97Å; Q37-F113 HydrophobicContact CG-CG 3.79Å; Q37-F113 HydrophobicContact CG-CZ 4.03Å; V44-F113 HydrophobicContact CG2-CE2 4.19Å; V44-F113 HydrophobicContact CG2-CZ 3.8Å; I46-F113 HydrophobicContact CD1-CD2 3.99Å; I46-F113 HydrophobicContact CD1-CE2 3.92Å; I46-F113 HydrophobicContact CG1-CD2 4.48Å; I46-F113 HydrophobicContact CG1-CE2 4.04Å; V60-F113 HydrophobicContact CG1-CE2 3.96Å; V60-F113 HydrophobicContact CG1-CZ 4.14Å; I94-F113 HydrophobicContact CG2-CD1 3.48Å; I94-F113 VanDerWaalsContact CG2-CD1 3.48Å; I94-F113 HydrophobicContact CG2-CE1 3.65Å; I94-F113 HydrophobicContact CG2-CG 4.43Å
114Q98.1Very high94.3Very high4 Ų440.7 Ų40.72%0.01922%0.223CC..PPolyproline II helixtrans-77.5145.5175.9-176.160.8-79.300111.6G92 Y93 F95 F118 W119 Q195G92-Q114 WeakPolarHBondContact O-CB 3.41Å; G92-Q114 WeakPolarHBondContact O-CG 3.5Å; Y93-Q114 WeakPolarHBondContact O-CB 3.4Å; Y93-Q114 PolarHBondContact O-N 3.37Å; F95-Q114 HydrophobicContact CD1-CB 4.29Å; F95-Q114 HydrophobicContact CE1-CB 4.17Å; Q114-F118 HydrophobicContact CG-CB 3.71Å; Q114-W119 PolarHBondContact O-NE1 2.74Å; Q114-Q195 PolarHBondContact NE2-O 2.98Å; Q114-Q195 VanDerWaalsContact OE1-CB 3.29Å
115S96.1Very high93.5Very high35 Ų3546.3 Ų46.325%0.24525%0.249CC..PPolyproline II helixtrans-62.9136.5172.4177.30000110.4Y117 F118 W119S115-Y117 PolarHBondContact O-N 3.5Å; S115-Y117 PolarHBondContact OG-N 2.92Å; S115-F118 PolarHBondContact O-N 3.23Å; S115-W119 VanDerWaalsContact O-CD1 3.31Å
116P95.4Very high93.1Very high77 Ų7742.8 Ų42.850%0.524%0.235SC..G310 helixtrans-53-24.7174.9-28.335.7000114.9F118 W119 N122P116-F118 VanDerWaalsContact C-N 3.29Å; P116-F118 PolarHBondContact O-N 3.13Å; P116-W119 HydrophobicContact CB-CD2 4.05Å; P116-W119 HydrophobicContact CB-CE3 4.18Å; P116-W119 HydrophobicContact CB-CH2 4.49Å; P116-W119 HydrophobicContact CB-CZ2 4.33Å; P116-W119 HydrophobicContact CB-CZ3 4.4Å; P116-W119 HydrophobicContact CG-CH2 4.25Å; P116-W119 HydrophobicContact CG-CZ2 3.93Å; P116-W119 WeakPolarHBondContact O-CB 3.41Å; P116-W119 PolarHBondContact O-N 2.92Å; P116-N122 PolarHBondContact O-ND2 2.88Å
117Y93Very high92.8Very high116 Ų11644 Ų4446%0.45524%0.238SC..G310 helixtrans-58.4-39.9172.5176.9-101.3000112.6S115 N122 W124S115-Y117 PolarHBondContact O-N 3.5Å; S115-Y117 PolarHBondContact OG-N 2.92Å; Y117-N122 PolarHBondContact O-ND2 3.35Å; Y117-W124 HydrophobicContact CD1-CZ2 4.29Å; Y117-W124 HydrophobicContact CD2-CZ2 4.39Å; Y117-W124 HydrophobicContact CE1-CH2 4.06Å; Y117-W124 AromaticContact CE1-CZ2 3.88Å; Y117-W124 HydrophobicContact CE1-CZ2 3.88Å; Y117-W124 HydrophobicContact CE2-CH2 4.05Å; Y117-W124 AromaticContact CE2-CZ2 3.99Å; Y117-W124 HydrophobicContact CE2-CZ2 3.99Å; Y117-W124 AromaticContact CZ-CH2 3.59Å; Y117-W124 AromaticContact CZ-CZ2 3.72Å; Y117-W124 WeakPolarHBondContact O-CZ2 3.21Å; Y117-W124 PolarHBondContact O-NE1 3.4Å; Y117-W124 WeakPolarHBondContact OH-CH2 3.34Å
118F95.8Very high92.7Very high28 Ų2844.6 Ų44.612%0.12324%0.241CC..G310 helixtrans-91.36.6-178.3-68.2-55.9000113.6Q114 S115 P116 Q195 F199Q114-F118 HydrophobicContact CG-CB 3.71Å; S115-F118 PolarHBondContact O-N 3.23Å; P116-F118 VanDerWaalsContact C-N 3.29Å; P116-F118 PolarHBondContact O-N 3.13Å; F118-Q195 HydrophobicContact CD2-CB 4.27Å; F118-Q195 HydrophobicContact CE2-CB 4.2Å; F118-F199 HydrophobicContact CB-CB 4.29Å; F118-F199 HydrophobicContact CB-CD2 4.04Å; F118-F199 HydrophobicContact CD1-CB 3.84Å; F118-F199 HydrophobicContact CD1-CD1 4.48Å; F118-F199 AromaticContact CD1-CD2 3.47Å; F118-F199 HydrophobicContact CD1-CD2 3.47Å; F118-F199 VanDerWaalsContact CD1-CD2 3.47Å; F118-F199 HydrophobicContact CD1-CE2 4.13Å; F118-F199 AromaticContact CD1-CG 3.67Å; F118-F199 HydrophobicContact CD1-CG 3.67Å; F118-F199 HydrophobicContact CE1-CB 4.3Å; F118-F199 HydrophobicContact CE1-CD2 4.29Å; F118-F199 HydrophobicContact CE1-CG 4.13Å; F118-F199 HydrophobicContact CG-CB 4.04Å; F118-F199 HydrophobicContact CG-CD2 4.11Å; F118-F199 HydrophobicContact CG-CG 4.31Å
119W94.8Very high92.7Very high27 Ų2744 Ų4410%0.10223%0.227CC..  trans-66.2143.6178.6-72.10.9000112E30 V33 Y93 Q114 S115 P116 S121 N122E30-W119 HydrophobicContact CB-CE3 4.28Å; E30-W119 HydrophobicContact CB-CH2 4.23Å; E30-W119 HydrophobicContact CB-CZ3 3.77Å; E30-W119 HydrophobicContact CG-CD2 4.09Å; E30-W119 HydrophobicContact CG-CE3 3.42Å; E30-W119 VanDerWaalsContact CG-CE3 3.42Å; E30-W119 HydrophobicContact CG-CH2 4.12Å; E30-W119 HydrophobicContact CG-CZ3 3.44Å; E30-W119 VanDerWaalsContact CG-CZ3 3.44Å; V33-W119 HydrophobicContact CG1-CZ2 4.24Å; Y93-W119 AromaticContact CD1-CD1 3.7Å; Y93-W119 AromaticContact CD1-CD2 3.92Å; Y93-W119 HydrophobicContact CD1-CD2 3.92Å; Y93-W119 AromaticContact CD1-CE2 3.83Å; Y93-W119 AromaticContact CD1-CG 3.83Å; Y93-W119 HydrophobicContact CD1-CG 3.83Å; Y93-W119 AromaticContact CD1-NE1 3.72Å; Y93-W119 HydrophobicContact CE1-CB 3.9Å; Y93-W119 AromaticContact CE1-CD1 3.9Å; Y93-W119 AromaticContact CE1-CD2 3.65Å; Y93-W119 HydrophobicContact CE1-CD2 3.65Å; Y93-W119 HydrophobicContact CE1-CE3 4.15Å; Y93-W119 AromaticContact CE1-CG 3.55Å; Y93-W119 HydrophobicContact CE1-CG 3.55Å; Q114-W119 PolarHBondContact O-NE1 2.74Å; S115-W119 VanDerWaalsContact O-CD1 3.31Å; P116-W119 HydrophobicContact CB-CD2 4.05Å; P116-W119 HydrophobicContact CB-CE3 4.18Å; P116-W119 HydrophobicContact CB-CH2 4.49Å; P116-W119 HydrophobicContact CB-CZ2 4.33Å; P116-W119 HydrophobicContact CB-CZ3 4.4Å; P116-W119 HydrophobicContact CG-CH2 4.25Å; P116-W119 HydrophobicContact CG-CZ2 3.93Å; P116-W119 WeakPolarHBondContact O-CB 3.41Å; P116-W119 PolarHBondContact O-N 2.92Å; W119-S121 PolarHBondContact O-N 3.01Å; W119-N122 WeakPolarHBondContact O-CB 3.41Å; W119-N122 PolarHBondContact O-N 3.23Å; W119-N122 VanDerWaalsContact O-N 3.1Å
120P91.1Very high92.6Very high16 Ų1643 Ų4310%0.10422%0.22CC..G310 helixtrans-65.6-22.2-177.427.3-36.6000113.4Y26 H91 Y93 N122 C123Y26-P120 HydrophobicContact CD1-CB 4.33Å; Y26-P120 HydrophobicContact CD1-CG 3.91Å; Y26-P120 HydrophobicContact CE1-CB 4.05Å; Y26-P120 HydrophobicContact CE1-CG 4.03Å; Y26-P120 HydrophobicContact CE2-CB 4.48Å; Y26-P120 HydrophobicContact CG-CG 4.39Å; H91-P120 WeakPolarHBondContact O-CG 3.45Å; Y93-P120 HydrophobicContact CE1-CG 4.33Å; Y93-P120 HydrophobicContact CE2-CG 3.78Å; Y93-P120 WeakPolarHBondContact OH-CG 3.18Å; P120-N122 PolarHBondContact O-N 2.64Å; P120-N122 VanDerWaalsContact O-N 3.16Å; P120-C123 WeakPolarHBondContact O-CA 3.35Å; P120-C123 PolarHBondContact O-N 2.91Å
121S89.2Confident92.6Very high21 Ų2140.5 Ų40.515%0.14721%0.209CC..G310 helixtrans-60-20.6172.352.60000113.8E30 W119 C123E30-S121 WeakPolarHBondContact OE1-CB 3.36Å; E30-S121 PolarHBondContact OE1-OG 3.32Å; W119-S121 PolarHBondContact O-N 3.01Å; S121-C123 PolarHBondContact O-N 3.43Å; S121-C123 VanDerWaalsContact O-N 3.16Å; S121-C123 PolarHBondContact O-SG 3.5Å; S121-C123 VanDerWaalsContact O-SG 3.33Å
122N86.4Confident92.6Very high49 Ų4940.5 Ų40.526%0.26221%0.209SC..G310 helixtrans-70.8-1.9170.8-70.1-43.9000113.6P116 Y117 W119 P120P116-N122 PolarHBondContact O-ND2 2.88Å; Y117-N122 PolarHBondContact O-ND2 3.35Å; W119-N122 WeakPolarHBondContact O-CB 3.41Å; W119-N122 PolarHBondContact O-N 3.23Å; W119-N122 VanDerWaalsContact O-N 3.1Å; P120-N122 PolarHBondContact O-N 2.64Å; P120-N122 VanDerWaalsContact O-N 3.16Å
123C80.3Confident92.5Very high44 Ų4440 Ų4030%0.29721%0.207SC..  trans56.451.3175.1-58.40000112.2P120 S121 R228P120-C123 WeakPolarHBondContact O-CA 3.35Å; P120-C123 PolarHBondContact O-N 2.91Å; S121-C123 PolarHBondContact O-N 3.43Å; S121-C123 VanDerWaalsContact O-N 3.16Å; S121-C123 PolarHBondContact O-SG 3.5Å; S121-C123 VanDerWaalsContact O-SG 3.33Å; C123-R228 PolarHBondContact SG-NH1 2.98Å
124W82.8Confident92.5Very high21 Ų2139.1 Ų39.18%0.0820%0.203CC..  trans-66.3129.4-180-72.1110.9000112.2Y117 P126 F199 K231 V233Y117-W124 HydrophobicContact CD1-CZ2 4.29Å; Y117-W124 HydrophobicContact CD2-CZ2 4.39Å; Y117-W124 HydrophobicContact CE1-CH2 4.06Å; Y117-W124 AromaticContact CE1-CZ2 3.88Å; Y117-W124 HydrophobicContact CE1-CZ2 3.88Å; Y117-W124 HydrophobicContact CE2-CH2 4.05Å; Y117-W124 AromaticContact CE2-CZ2 3.99Å; Y117-W124 HydrophobicContact CE2-CZ2 3.99Å; Y117-W124 AromaticContact CZ-CH2 3.59Å; Y117-W124 AromaticContact CZ-CZ2 3.72Å; Y117-W124 WeakPolarHBondContact O-CZ2 3.21Å; Y117-W124 PolarHBondContact O-NE1 3.4Å; Y117-W124 WeakPolarHBondContact OH-CH2 3.34Å; W124-P126 VanDerWaalsContact C-CD 3.47Å; W124-F199 HydrophobicContact CB-CE2 4Å; W124-F199 HydrophobicContact CB-CZ 4.28Å; W124-F199 AromaticContact CD1-CE2 3.78Å; W124-F199 AromaticContact CD2-CE2 3.96Å; W124-F199 HydrophobicContact CD2-CE2 3.96Å; W124-F199 HydrophobicContact CD2-CZ 4.28Å; W124-F199 HydrophobicContact CE3-CZ 4.5Å; W124-F199 AromaticContact CG-CE2 3.66Å; W124-F199 HydrophobicContact CG-CE2 3.66Å; W124-F199 HydrophobicContact CG-CZ 4.2Å; W124-K231 HydrophobicContact CE3-CB 4Å; W124-K231 HydrophobicContact CH2-CB 4.41Å; W124-K231 HydrophobicContact CZ3-CB 3.72Å; W124-V233 HydrophobicContact CE3-CG2 4.03Å; W124-V233 HydrophobicContact CZ3-CG2 3.93Å
125E82.9Confident92.5Very high124 Ų12439 Ų3958%0.57920%0.202SC*.  trans-122.768.3169.1-69.2-170.7165.600109.9E127E125-E127 PolarHBondContact O-N 3.41Å
126P89.1Confident92.5Very high11 Ų1137.4 Ų37.47%0.07119%0.192CC..  trans-68.5133.6-17227.9-34000112W124 F199 W200 H203 R204 V233W124-P126 VanDerWaalsContact C-CD 3.47Å; P126-F199 HydrophobicContact CB-CE1 4.16Å; P126-F199 HydrophobicContact CB-CZ 4.02Å; P126-F199 HydrophobicContact CG-CE1 4.22Å; P126-F199 HydrophobicContact CG-CZ 3.92Å; P126-W200 HydrophobicContact CB-CH2 3.63Å; P126-W200 HydrophobicContact CB-CZ3 3.8Å; P126-W200 HydrophobicContact CG-CH2 4.36Å; P126-W200 HydrophobicContact CG-CZ3 4.03Å; P126-H203 HydrophobicContact CG-CB 3.67Å; P126-H203 VanDerWaalsContact CG-CG 3.49Å; P126-R204 PolarHBondContact O-NH2 3.2Å; P126-V233 HydrophobicContact CB-CG2 4.05Å
127E92.1Very high92.5Very high104 Ų10433.9 Ų33.949%0.48617%0.168SC..  trans-80.9163.2-175.8-62.6-168.1169.700112.2E125 T129 D130 Y131E125-E127 PolarHBondContact O-N 3.41Å; E127-T129 PolarHBondContact O-N 3.22Å; E127-D130 PolarHBondContact N-OD2 2.98Å; E127-D130 WeakPolarHBondContact O-CB 3.37Å; E127-D130 PolarHBondContact O-N 3.39Å; E127-Y131 PolarHBondContact O-N 3.24Å
128N95.3Very high92.6Very high81 Ų8129 Ų2943%0.43315%0.149SC..Hα-helixtrans-64.6-25.9174-74.8-19.4000112.7A132 L159 F163 R204N128-A132 WeakPolarHBondContact O-CB 3.5Å; N128-A132 PolarHBondContact O-N 3.09Å; N128-L159 HydrophobicContact CB-CD2 3.8Å; N128-F163 HydrophobicContact CB-CE2 3.91Å; N128-F163 HydrophobicContact CB-CZ 3.79Å; N128-R204 PolarHBondContact OD1-NH2 3.35Å
129T95.3Very high92.5Very high45 Ų4530.6 Ų30.628%0.27616%0.161SC..Hα-helixtrans-65.6-45.1173.3-48.10000110.7E127 Y131 A132 I133 I170E127-T129 PolarHBondContact O-N 3.22Å; T129-Y131 VanDerWaalsContact C-N 3.33Å; T129-Y131 PolarHBondContact O-N 3.39Å; T129-A132 WeakPolarHBondContact O-CB 3.23Å; T129-A132 PolarHBondContact O-N 3.04Å; T129-I133 HydrophobicContact CG2-CD1 4.44Å; T129-I133 WeakPolarHBondContact O-CG1 3.46Å; T129-I133 PolarHBondContact O-N 2.96Å; T129-I170 HydrophobicContact CG2-CD1 4.47Å; T129-I170 HydrophobicContact CG2-CG1 4.25Å
130D95.3Very high92.5Very high7 Ų731.3 Ų31.34%0.03717%0.166CC..Hα-helixtrans-59.6-45.5177-60.4-52.9000110.4E127 A132 I133 Y134 W200 S232 Y234E127-D130 PolarHBondContact N-OD2 2.98Å; E127-D130 WeakPolarHBondContact O-CB 3.37Å; E127-D130 PolarHBondContact O-N 3.39Å; D130-A132 VanDerWaalsContact C-N 3.32Å; D130-A132 PolarHBondContact O-N 3.38Å; D130-I133 WeakPolarHBondContact O-CB 3.41Å; D130-I133 PolarHBondContact O-N 3Å; D130-Y134 PolarHBondContact O-N 3.32Å; D130-W200 HydrophobicContact CB-CH2 3.77Å; D130-W200 HydrophobicContact CB-CZ2 3.9Å; D130-S232 PolarHBondContact OD1-OG 3.43Å; D130-Y234 HydrophobicContact CB-CD2 3.78Å; D130-Y234 HydrophobicContact CB-CE2 3.88Å; D130-Y234 VanDerWaalsContact O-CE2 3.24Å; D130-Y234 WeakPolarHBondContact O-CE2 3.27Å
131Y97.5Very high92.2Very high4 Ų431.7 Ų31.72%0.01617%0.167CC..Hα-helixtrans-64.9-36.1179-169.5-138000112.6E127 T129 Y134 L135 N155 L159 W200 R204E127-Y131 PolarHBondContact O-N 3.24Å; T129-Y131 VanDerWaalsContact C-N 3.33Å; T129-Y131 PolarHBondContact O-N 3.39Å; Y131-Y134 AromaticContact CD2-CD1 3.9Å; Y131-Y134 HydrophobicContact CD2-CD1 3.9Å; Y131-Y134 AromaticContact CE2-CD1 3.84Å; Y131-Y134 HydrophobicContact CE2-CD1 3.84Å; Y131-Y134 HydrophobicContact CE2-CE1 4.26Å; Y131-Y134 WeakPolarHBondContact O-CB 3.27Å; Y131-Y134 PolarHBondContact O-N 2.9Å; Y131-L135 HydrophobicContact CD1-CD1 4.05Å; Y131-L135 HydrophobicContact CD2-CD1 4.41Å; Y131-L135 HydrophobicContact CD2-CG 4.16Å; Y131-L135 HydrophobicContact CE1-CD1 3.67Å; Y131-L135 HydrophobicContact CE1-CG 4.37Å; Y131-L135 HydrophobicContact CE2-CD1 4.07Å; Y131-L135 HydrophobicContact CE2-CD2 3.92Å; Y131-L135 HydrophobicContact CE2-CG 3.86Å; Y131-L135 HydrophobicContact CG-CD1 4.4Å; Y131-L135 WeakPolarHBondContact O-CG 3.43Å; Y131-L135 PolarHBondContact O-N 3.38Å; Y131-N155 HydrophobicContact CE1-CB 3.92Å; Y131-L159 HydrophobicContact CD1-CD1 3.75Å; Y131-L159 HydrophobicContact CE1-CD1 4.38Å; Y131-L159 HydrophobicContact CG-CD1 4.44Å; Y131-W200 VanDerWaalsContact CA-CH2 3.48Å; Y131-W200 AromaticContact CD2-CD2 3.58Å; Y131-W200 HydrophobicContact CD2-CD2 3.58Å; Y131-W200 AromaticContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CE3 3.42Å; Y131-W200 VanDerWaalsContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CG 4.1Å; Y131-W200 HydrophobicContact CD2-CH2 4.24Å; Y131-W200 HydrophobicContact CD2-CZ2 4.39Å; Y131-W200 AromaticContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CE2-CB 4.28Å; Y131-W200 HydrophobicContact CE2-CD2 4.16Å; Y131-W200 HydrophobicContact CE2-CE3 4.09Å; Y131-W200 HydrophobicContact CE2-CG 4.26Å; Y131-W200 HydrophobicContact CG-CE3 4.03Å; Y131-W200 HydrophobicContact CG-CH2 4.34Å; Y131-W200 AromaticContact CG-CZ3 3.94Å; Y131-W200 HydrophobicContact CG-CZ3 3.94Å; Y131-W200 VanDerWaalsContact N-CH2 3.3Å; Y131-R204 HydrophobicContact CD1-CG 3.78Å; Y131-R204 HydrophobicContact CD2-CG 4.02Å; Y131-R204 HydrophobicContact CE1-CB 4.01Å; Y131-R204 HydrophobicContact CE1-CG 3.78Å; Y131-R204 HydrophobicContact CE2-CB 4.04Å; Y131-R204 HydrophobicContact CE2-CG 4.02Å; Y131-R204 HydrophobicContact CG-CG 3.92Å
132A97.6Very high92Very high0 Ų037.9 Ų37.90%020%0.198CC..Hα-helixtrans-64-40.517500000112N128 T129 D130 C136 L159 F163 W167 I170N128-A132 WeakPolarHBondContact O-CB 3.5Å; N128-A132 PolarHBondContact O-N 3.09Å; T129-A132 WeakPolarHBondContact O-CB 3.23Å; T129-A132 PolarHBondContact O-N 3.04Å; D130-A132 VanDerWaalsContact C-N 3.32Å; D130-A132 PolarHBondContact O-N 3.38Å; A132-C136 WeakPolarHBondContact O-CB 3.42Å; A132-C136 PolarHBondContact O-N 2.97Å; A132-L159 HydrophobicContact CB-CB 4.18Å; A132-L159 HydrophobicContact CB-CD1 4.1Å; A132-F163 HydrophobicContact CB-CD2 4.36Å; A132-W167 HydrophobicContact CB-CZ3 4.32Å; A132-I170 HydrophobicContact CB-CD1 4.06Å; A132-I170 HydrophobicContact CB-CG2 4Å
133I97Very high92Very high4 Ų439 Ų392%0.02120%0.201CC..Hα-helixtrans-61.6-47.2174.6-64.3163000109.9T129 D130 C136 K137 I170 Q173 A174 Y234T129-I133 HydrophobicContact CG2-CD1 4.44Å; T129-I133 WeakPolarHBondContact O-CG1 3.46Å; T129-I133 PolarHBondContact O-N 2.96Å; D130-I133 WeakPolarHBondContact O-CB 3.41Å; D130-I133 PolarHBondContact O-N 3Å; I133-C136 PolarHBondContact O-N 2.97Å; I133-K137 WeakPolarHBondContact O-CB 3.41Å; I133-K137 PolarHBondContact O-N 3.05Å; I133-I170 HydrophobicContact CG1-CG2 3.95Å; I133-Q173 HydrophobicContact CD1-CB 4.21Å; I133-Q173 HydrophobicContact CG1-CB 4.33Å; I133-Q173 HydrophobicContact CG2-CB 4.47Å; I133-A174 HydrophobicContact CG2-CB 4.21Å; I133-Y234 HydrophobicContact CB-CD2 4.32Å; I133-Y234 HydrophobicContact CB-CE2 4.33Å; I133-Y234 HydrophobicContact CD1-CD2 4.19Å; I133-Y234 HydrophobicContact CG2-CD2 4.32Å; I133-Y234 HydrophobicContact CG2-CE2 4.39Å; I133-Y234 HydrophobicContact CG2-CG 4.48Å
134Y97.4Very high92.3Very high4 Ų440.4 Ų40.42%0.01622%0.216CC..Hα-helixtrans-56.5-52.7177.7170.7-108.5000112.7D130 Y131 K137 R138 E196 R197 W200 Y234D130-Y134 PolarHBondContact O-N 3.32Å; Y131-Y134 AromaticContact CD2-CD1 3.9Å; Y131-Y134 HydrophobicContact CD2-CD1 3.9Å; Y131-Y134 AromaticContact CE2-CD1 3.84Å; Y131-Y134 HydrophobicContact CE2-CD1 3.84Å; Y131-Y134 HydrophobicContact CE2-CE1 4.26Å; Y131-Y134 WeakPolarHBondContact O-CB 3.27Å; Y131-Y134 PolarHBondContact O-N 2.9Å; Y134-K137 WeakPolarHBondContact O-CB 3.36Å; Y134-K137 PolarHBondContact O-N 3.4Å; Y134-R138 HydrophobicContact CE2-CG 4.29Å; Y134-R138 PolarHBondContact O-N 3.21Å; Y134-R138 VanDerWaalsContact OH-CD 3.26Å; Y134-R138 WeakPolarHBondContact OH-CD 3.18Å; Y134-R138 PolarHBondContact OH-NH1 3.29Å; Y134-E196 HydrophobicContact CD2-CG 3.83Å; Y134-E196 HydrophobicContact CE2-CB 4.48Å; Y134-E196 HydrophobicContact CE2-CG 3.84Å; Y134-R197 VanDerWaalsContact OH-CA 3.25Å; Y134-R197 WeakPolarHBondContact OH-CA 3.41Å; Y134-R197 WeakPolarHBondContact OH-CB 3.42Å; Y134-W200 HydrophobicContact CD1-CB 4.36Å; Y134-W200 AromaticContact CD1-CD1 3.43Å; Y134-W200 VanDerWaalsContact CD1-CD1 3.43Å; Y134-W200 HydrophobicContact CD1-CD2 4.38Å; Y134-W200 AromaticContact CD1-CG 3.81Å; Y134-W200 HydrophobicContact CD1-CG 3.81Å; Y134-W200 AromaticContact CD1-NE1 3.78Å; Y134-W200 AromaticContact CD2-CD1 3.4Å; Y134-W200 HydrophobicContact CD2-CG 4.48Å; Y134-W200 AromaticContact CD2-NE1 3.51Å; Y134-W200 HydrophobicContact CE1-CB 4.05Å; Y134-W200 AromaticContact CE1-CD1 3.64Å; Y134-W200 AromaticContact CE1-CG 3.94Å; Y134-W200 HydrophobicContact CE1-CG 3.94Å; Y134-W200 AromaticContact CE2-CD1 3.6Å; Y134-W200 AromaticContact CG-CD1 3.3Å; Y134-W200 HydrophobicContact CG-CG 4.09Å; Y134-W200 AromaticContact CG-NE1 3.26Å; Y134-W200 VanDerWaalsContact CG-NE1 3.26Å; Y134-W200 AromaticContact CZ-CD1 3.71Å; Y134-Y234 WeakPolarHBondContact CB-OH 3.22Å
135L97.7Very high92.4Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-64.8-43.8-179.3-68179000111.3Y131 K137 R138 T139 L148 E152 N155 L156 L159Y131-L135 HydrophobicContact CD1-CD1 4.05Å; Y131-L135 HydrophobicContact CD2-CD1 4.41Å; Y131-L135 HydrophobicContact CD2-CG 4.16Å; Y131-L135 HydrophobicContact CE1-CD1 3.67Å; Y131-L135 HydrophobicContact CE1-CG 4.37Å; Y131-L135 HydrophobicContact CE2-CD1 4.07Å; Y131-L135 HydrophobicContact CE2-CD2 3.92Å; Y131-L135 HydrophobicContact CE2-CG 3.86Å; Y131-L135 HydrophobicContact CG-CD1 4.4Å; Y131-L135 WeakPolarHBondContact O-CG 3.43Å; Y131-L135 PolarHBondContact O-N 3.38Å; L135-K137 PolarHBondContact O-N 3.26Å; L135-R138 PolarHBondContact O-N 3.47Å; L135-T139 WeakPolarHBondContact O-CG2 3.33Å; L135-T139 PolarHBondContact O-N 3.34Å; L135-T139 VanDerWaalsContact O-N 3.13Å; L135-L148 HydrophobicContact CD2-CD2 3.81Å; L135-E152 HydrophobicContact CD2-CB 3.94Å; L135-E152 HydrophobicContact CD2-CG 4.4Å; L135-N155 HydrophobicContact CD1-CB 4.2Å; L135-L156 HydrophobicContact CB-CB 4.38Å; L135-L156 HydrophobicContact CB-CD1 3.85Å; L135-L156 HydrophobicContact CB-CG 4.49Å; L135-L156 HydrophobicContact CD1-CB 3.98Å; L135-L159 HydrophobicContact CD1-CD1 4.1Å
136C96.7Very high92.7Very high3 Ų339.5 Ų39.52%0.0221%0.208CC..Hα-helixtrans-58.1-48.8174.9-171.90000110.7A132 I133 R138 T139 M140 W167 A174A132-C136 WeakPolarHBondContact O-CB 3.42Å; A132-C136 PolarHBondContact O-N 2.97Å; I133-C136 PolarHBondContact O-N 2.97Å; C136-R138 VanDerWaalsContact C-N 3.28Å; C136-R138 PolarHBondContact O-N 3.46Å; C136-T139 PolarHBondContact O-N 2.82Å; C136-T139 VanDerWaalsContact O-N 3.15Å; C136-T139 PolarHBondContact O-OG1 2.79Å; C136-M140 VanDerWaalsContact O-CG 3.31Å; C136-M140 WeakPolarHBondContact O-CG 3.31Å; C136-M140 PolarHBondContact O-N 3.28Å; C136-W167 HydrophobicContact CB-CH2 4.34Å; C136-W167 HydrophobicContact CB-CZ2 4.42Å; C136-A174 HydrophobicContact CB-CB 3.93Å
137K95.5Very high92.9Very high3 Ų345.6 Ų45.61%0.01324%0.236CC..Hα-helixtrans-54.4-43.2177-173.4-179.875.41660111.9I133 Y134 L135 M140 A174 Q177 V178 D181 E196I133-K137 WeakPolarHBondContact O-CB 3.41Å; I133-K137 PolarHBondContact O-N 3.05Å; Y134-K137 WeakPolarHBondContact O-CB 3.36Å; Y134-K137 PolarHBondContact O-N 3.4Å; L135-K137 PolarHBondContact O-N 3.26Å; K137-M140 PolarHBondContact O-N 3.2Å; K137-A174 HydrophobicContact CB-CB 4.15Å; K137-Q177 HydrophobicContact CD-CB 3.8Å; K137-Q177 HydrophobicContact CD-CG 3.52Å; K137-V178 HydrophobicContact CG-CG2 3.58Å; K137-D181 IonicContact NZ-OD2 3.48Å; K137-D181 PolarHBondContact NZ-OD2 3.43Å; K137-E196 WeakPolarHBondContact CE-OE2 3.36Å; K137-E196 IonicContact NZ-OE1 2.68Å; K137-E196 PolarHBondContact NZ-OE1 3.48Å; K137-E196 IonicContact NZ-OE2 3.25Å; K137-E196 PolarHBondContact NZ-OE2 3.45Å
138R95.3Very high93.1Very high12 Ų1242.3 Ų42.35%0.04522%0.221CC..Hα-helixtrans-63-45177.8-83.1-176.259.8-169-8.2112.9Y134 L135 C136 M140 Q141 L146 E147 L148 E152Y134-R138 HydrophobicContact CE2-CG 4.29Å; Y134-R138 PolarHBondContact O-N 3.21Å; Y134-R138 VanDerWaalsContact OH-CD 3.26Å; Y134-R138 WeakPolarHBondContact OH-CD 3.18Å; Y134-R138 PolarHBondContact OH-NH1 3.29Å; L135-R138 PolarHBondContact O-N 3.47Å; C136-R138 VanDerWaalsContact C-N 3.28Å; C136-R138 PolarHBondContact O-N 3.46Å; R138-M140 PolarHBondContact O-N 2.85Å; R138-Q141 PolarHBondContact O-N 3.41Å; R138-L146 PolarHBondContact NE-O 3.46Å; R138-L146 PolarHBondContact NH2-O 2.9Å; R138-E147 PolarHBondContact NH2-O 3.28Å; R138-L148 HydrophobicContact CB-CD2 3.91Å; R138-E152 IonicContact CZ-OE1 2.72Å; R138-E152 IonicContact CZ-OE2 3.71Å; R138-E152 VanDerWaalsContact CZ-OE2 3.26Å; R138-E152 IonicContact NH1-OE1 3.34Å; R138-E152 PolarHBondContact NH1-OE1 3.28Å; R138-E152 IonicContact NH1-OE2 3.72Å; R138-E152 PolarHBondContact NH1-OE2 3Å; R138-E152 IonicContact NH2-OE1 2.74Å; R138-E152 IonicContact NH2-OE2 2.79Å; R138-E152 PolarHBondContact NH2-OE2 3Å
139T94.4Very high93.1Very high62 Ų6240 Ų4038%0.3821%0.213SC..Hα-helixtrans-61.5-30.5178.263.80000112.8L135 C136 Q141 N142 L148 L156L135-T139 WeakPolarHBondContact O-CG2 3.33Å; L135-T139 PolarHBondContact O-N 3.34Å; L135-T139 VanDerWaalsContact O-N 3.13Å; C136-T139 PolarHBondContact O-N 2.82Å; C136-T139 VanDerWaalsContact O-N 3.15Å; C136-T139 PolarHBondContact O-OG1 2.79Å; T139-Q141 VanDerWaalsContact C-N 3.3Å; T139-Q141 PolarHBondContact O-N 3.35Å; T139-N142 PolarHBondContact O-OD1 3.35Å; T139-L148 HydrophobicContact CG2-CD1 3.55Å; T139-L148 HydrophobicContact CG2-CG 3.94Å; T139-L156 HydrophobicContact CG2-CD2 3.78Å
140M93.1Very high93.2Very high43 Ų4344.9 Ų44.921%0.21224%0.238CC..THydrogen-bonded Turntrans-76.2-13.4-178.7-63.6172.88000114.2C136 K137 R138 F171 A174 E175 V178C136-M140 VanDerWaalsContact O-CG 3.31Å; C136-M140 WeakPolarHBondContact O-CG 3.31Å; C136-M140 PolarHBondContact O-N 3.28Å; K137-M140 PolarHBondContact O-N 3.2Å; R138-M140 PolarHBondContact O-N 2.85Å; M140-F171 HydrophobicContact CE-CE1 4.16Å; M140-F171 HydrophobicContact CE-CE2 3.83Å; M140-F171 HydrophobicContact CE-CZ 3.6Å; M140-F171 HydrophobicContact CG-CE2 4.43Å; M140-F171 HydrophobicContact SD-CD2 4.4Å; M140-F171 HydrophobicContact SD-CE2 4.03Å; M140-F171 HydrophobicContact SD-CZ 4.41Å; M140-A174 HydrophobicContact SD-CB 4.03Å; M140-E175 HydrophobicContact CE-CB 3.74Å; M140-E175 HydrophobicContact CE-CG 3.74Å; M140-V178 HydrophobicContact CB-CG2 4.23Å
141Q86.4Confident93.3Very high24 Ų2445.9 Ų45.911%0.11224%0.241CC..THydrogen-bonded Turntrans-84.4-14.7-174.3-69-160.544.800114.1R138 T139 K143 L146R138-Q141 PolarHBondContact O-N 3.41Å; T139-Q141 VanDerWaalsContact C-N 3.3Å; T139-Q141 PolarHBondContact O-N 3.35Å; Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 WeakPolarHBondContact O-CG 3.3Å; Q141-K143 PolarHBondContact O-N 2.79Å; Q141-L146 HydrophobicContact CB-CD1 3.65Å; Q141-L146 HydrophobicContact CG-CD1 3.96Å
142N84.1Confident93.3Very high151 Ų15145.7 Ų45.781%0.80724%0.24SC*.  trans46.450.9178.8-64.9-15.5000113.5T139T139-N142 PolarHBondContact O-OD1 3.35Å
143K86.9Confident93.3Very high71 Ų7148 Ų4831%0.30926%0.259SS..  trans-129.1129.2177.4-71171.8-172.5163.80109.3Q141 R145 L146 E147Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 WeakPolarHBondContact O-CG 3.3Å; Q141-K143 PolarHBondContact O-N 2.79Å; K143-R145 VanDerWaalsContact C-N 3.27Å; K143-R145 HydrophobicContact CB-CG 4.4Å; K143-R145 PolarHBondContact O-N 3.44Å; K143-R145 VanDerWaalsContact O-N 3.14Å; K143-L146 HydrophobicContact CB-CB 4.44Å; K143-L146 HydrophobicContact CB-CD1 4.41Å; K143-L146 HydrophobicContact CB-CG 4.43Å; K143-L146 HydrophobicContact CD-CD1 4.17Å; K143-L146 WeakPolarHBondContact O-CA 3.32Å; K143-L146 PolarHBondContact O-N 2.72Å; K143-E147 PolarHBondContact O-N 3.28Å
144A86.4Confident93.3Very high75 Ų7554.6 Ų54.662%0.6229%0.29SS*.G310 helixtrans-48.9-44.417900000113.7L146 E147A144-L146 PolarHBondContact O-N 3.06Å; A144-E147 WeakPolarHBondContact CA-OE1 3.48Å; A144-E147 WeakPolarHBondContact O-CB 3.3Å; A144-E147 PolarHBondContact O-N 3.49Å; A144-E147 VanDerWaalsContact O-N 3.13Å
145R85.1Confident93.3Very high111 Ų11155.7 Ų55.742%0.41930%0.296SS..G310 helixtrans-62.8-12.4177.778179.9176.28810.1115.5K143 D193K143-R145 VanDerWaalsContact C-N 3.27Å; K143-R145 HydrophobicContact CB-CG 4.4Å; K143-R145 PolarHBondContact O-N 3.44Å; K143-R145 VanDerWaalsContact O-N 3.14Å; R145-D193 IonicContact CZ-OD2 3.44Å; R145-D193 VanDerWaalsContact CZ-OD2 3.25Å; R145-D193 IonicContact NH1-OD2 3.52Å; R145-D193 PolarHBondContact NH1-OD2 2.71Å; R145-D193 IonicContact NH2-OD2 2.72Å; R145-D193 PolarHBondContact NH2-OD2 3.34Å
146L89.1Confident93.3Very high15 Ų1556.4 Ų56.48%0.07930%0.3CS..G310 helixtrans-115.81.1-178.3-66.2-178.9000111.9R138 Q141 K143 A144 D193R138-L146 PolarHBondContact NE-O 3.46Å; R138-L146 PolarHBondContact NH2-O 2.9Å; Q141-L146 HydrophobicContact CB-CD1 3.65Å; Q141-L146 HydrophobicContact CG-CD1 3.96Å; K143-L146 HydrophobicContact CB-CB 4.44Å; K143-L146 HydrophobicContact CB-CD1 4.41Å; K143-L146 HydrophobicContact CB-CG 4.43Å; K143-L146 HydrophobicContact CD-CD1 4.17Å; K143-L146 WeakPolarHBondContact O-CA 3.32Å; K143-L146 PolarHBondContact O-N 2.72Å; A144-L146 PolarHBondContact O-N 3.06Å; L146-D193 HydrophobicContact CD2-CB 4.26Å
147E92.9Very high93.4Very high138 Ų13858.1 Ų58.165%0.64531%0.314SS*.PPolyproline II helixtrans-54.3141.8173.3-75.6171.8-174.500109.6R138 K143 A144R138-E147 PolarHBondContact NH2-O 3.28Å; K143-E147 PolarHBondContact O-N 3.28Å; A144-E147 WeakPolarHBondContact CA-OE1 3.48Å; A144-E147 WeakPolarHBondContact O-CB 3.3Å; A144-E147 PolarHBondContact O-N 3.49Å; A144-E147 VanDerWaalsContact O-N 3.13Å
148L95.9Very high93.5Very high36 Ų3664.5 Ų64.519%0.18834%0.338CS..PPolyproline II helixtrans-71.6136.2179.4-62.4-171.2000109.1L135 R138 T139 E152 A153 L156L135-L148 HydrophobicContact CD2-CD2 3.81Å; R138-L148 HydrophobicContact CB-CD2 3.91Å; T139-L148 HydrophobicContact CG2-CD1 3.55Å; T139-L148 HydrophobicContact CG2-CG 3.94Å; L148-E152 HydrophobicContact CB-CB 4.01Å; L148-E152 HydrophobicContact CD2-CB 4.27Å; L148-A153 HydrophobicContact CB-CB 4.32Å; L148-L156 HydrophobicContact CD1-CB 4.28Å; L148-L156 HydrophobicContact CD1-CD2 3.62Å
149A95.9Very high93.6Very high31 Ų3164.2 Ų64.226%0.25634%0.338SS..PPolyproline II helixtrans-66.3161.5163.900000110.2Y151 E152 A153A149-Y151 VanDerWaalsContact C-N 3.3Å; A149-Y151 HydrophobicContact CB-CD1 3.68Å; A149-Y151 HydrophobicContact CB-CE1 3.55Å; A149-Y151 PolarHBondContact O-N 2.89Å; A149-E152 HydrophobicContact CB-CG 4.22Å; A149-E152 PolarHBondContact N-OE2 3.16Å; A149-E152 WeakPolarHBondContact O-CA 3.42Å; A149-E152 WeakPolarHBondContact O-CB 3.22Å; A149-E152 PolarHBondContact O-N 2.86Å; A149-A153 PolarHBondContact O-N 3.03Å
150D96.9Very high93.8Very high149 Ų14965.2 Ų65.280%0.79734%0.338SS*.Hα-helixtrans-55.2-44.1-176.2-65.3-28.8000112.7E152 A153 E154D150-E152 VanDerWaalsContact C-N 3.31Å; D150-E152 PolarHBondContact O-N 2.66Å; D150-A153 PolarHBondContact O-N 3.34Å; D150-E154 PolarHBondContact O-N 3.4Å
151Y96.9Very high94Very high27 Ų2771.6 Ų71.611%0.10636%0.36CS..Hα-helixtrans-65.7-32.8177.580.6-85000112.7H100 A149 N155 V206 P207H100-Y151 PolarHBondContact ND1-OH 3.35Å; A149-Y151 VanDerWaalsContact C-N 3.3Å; A149-Y151 HydrophobicContact CB-CD1 3.68Å; A149-Y151 HydrophobicContact CB-CE1 3.55Å; A149-Y151 PolarHBondContact O-N 2.89Å; Y151-N155 WeakPolarHBondContact O-CB 3.42Å; Y151-N155 VanDerWaalsContact O-CG 3.28Å; Y151-N155 PolarHBondContact O-N 3.21Å; Y151-N155 PolarHBondContact O-ND2 3.4Å; Y151-N155 VanDerWaalsContact O-ND2 3.13Å; Y151-V206 HydrophobicContact CE1-CG1 4.49Å; Y151-V206 HydrophobicContact CE1-CG2 4Å; Y151-P207 HydrophobicContact CD2-CG 4.45Å; Y151-P207 HydrophobicContact CG-CG 4.3Å
152E97.8Very high94.5Very high1 Ų174 Ų741%0.00538%0.383CS..Hα-helixtrans-71.9-39.3176-61.8-173.6116.400111.1H100 L135 R138 L148 A149 D150 N155 L156H100-E152 IonicContact CE1-OE1 3.61Å; H100-E152 IonicContact CE1-OE2 2.65Å; H100-E152 IonicContact NE2-OE2 2.68Å; L135-E152 HydrophobicContact CD2-CB 3.94Å; L135-E152 HydrophobicContact CD2-CG 4.4Å; R138-E152 IonicContact CZ-OE1 2.72Å; R138-E152 IonicContact CZ-OE2 3.71Å; R138-E152 VanDerWaalsContact CZ-OE2 3.26Å; R138-E152 IonicContact NH1-OE1 3.34Å; R138-E152 PolarHBondContact NH1-OE1 3.28Å; R138-E152 IonicContact NH1-OE2 3.72Å; R138-E152 PolarHBondContact NH1-OE2 3Å; R138-E152 IonicContact NH2-OE1 2.74Å; R138-E152 IonicContact NH2-OE2 2.79Å; R138-E152 PolarHBondContact NH2-OE2 3Å; L148-E152 HydrophobicContact CB-CB 4.01Å; L148-E152 HydrophobicContact CD2-CB 4.27Å; A149-E152 HydrophobicContact CB-CG 4.22Å; A149-E152 PolarHBondContact N-OE2 3.16Å; A149-E152 WeakPolarHBondContact O-CA 3.42Å; A149-E152 WeakPolarHBondContact O-CB 3.22Å; A149-E152 PolarHBondContact O-N 2.86Å; D150-E152 VanDerWaalsContact C-N 3.31Å; D150-E152 PolarHBondContact O-N 2.66Å; E152-N155 WeakPolarHBondContact O-CB 3.21Å; E152-N155 PolarHBondContact O-N 3.19Å; E152-L156 WeakPolarHBondContact O-CB 3.29Å; E152-L156 PolarHBondContact O-N 3.22Å
153A97.5Very high95.1Very high47 Ų4769 Ų6939%0.38835%0.354SS..Hα-helixtrans-64.8-41.9174.800000111.5L148 A149 D150 L156 A157L148-A153 HydrophobicContact CB-CB 4.32Å; A149-A153 PolarHBondContact O-N 3.03Å; D150-A153 PolarHBondContact O-N 3.34Å; A153-L156 PolarHBondContact O-N 3.39Å; A153-A157 PolarHBondContact O-N 3.11Å
154E97.6Very high95.6Very high143 Ų14368.9 Ų68.967%0.66837%0.367SS*.Hα-helixtrans-61.8-45.1172.9-172.2-176.6170.300111.5D150 L156 A157 R158D150-E154 PolarHBondContact O-N 3.4Å; E154-L156 PolarHBondContact O-N 3.03Å; E154-A157 PolarHBondContact O-N 3.42Å; E154-R158 PolarHBondContact O-N 2.82Å
155N97.6Very high96Very high27 Ų2777.1 Ų77.114%0.14438%0.382CS..Hα-helixtrans-58.8-45.7174.6-83.8-37.4000111.9Y131 L135 Y151 E152 A157 R158 L159Y131-N155 HydrophobicContact CE1-CB 3.92Å; L135-N155 HydrophobicContact CD1-CB 4.2Å; Y151-N155 WeakPolarHBondContact O-CB 3.42Å; Y151-N155 VanDerWaalsContact O-CG 3.28Å; Y151-N155 PolarHBondContact O-N 3.21Å; Y151-N155 PolarHBondContact O-ND2 3.4Å; Y151-N155 VanDerWaalsContact O-ND2 3.13Å; E152-N155 WeakPolarHBondContact O-CB 3.21Å; E152-N155 PolarHBondContact O-N 3.19Å; N155-A157 PolarHBondContact O-N 3.28Å; N155-R158 WeakPolarHBondContact O-CB 3.13Å; N155-R158 PolarHBondContact O-N 3.36Å; N155-R158 PolarHBondContact OD1-NH2 3.03Å; N155-L159 VanDerWaalsContact O-CG 3.22Å; N155-L159 WeakPolarHBondContact O-CG 3.32Å; N155-L159 PolarHBondContact O-N 2.97Å
156L98Very high96.5Very high15 Ų1578.5 Ų78.58%0.07939%0.391CS..Hα-helixtrans-58.8-47.5176.2-178.458.3000111.2L135 T139 L148 E152 A153 E154 R158 L159 Q160 W167L135-L156 HydrophobicContact CB-CB 4.38Å; L135-L156 HydrophobicContact CB-CD1 3.85Å; L135-L156 HydrophobicContact CB-CG 4.49Å; L135-L156 HydrophobicContact CD1-CB 3.98Å; T139-L156 HydrophobicContact CG2-CD2 3.78Å; L148-L156 HydrophobicContact CD1-CB 4.28Å; L148-L156 HydrophobicContact CD1-CD2 3.62Å; E152-L156 WeakPolarHBondContact O-CB 3.29Å; E152-L156 PolarHBondContact O-N 3.22Å; A153-L156 PolarHBondContact O-N 3.39Å; E154-L156 PolarHBondContact O-N 3.03Å; L156-R158 VanDerWaalsContact C-N 3.29Å; L156-R158 PolarHBondContact O-N 2.83Å; L156-L159 PolarHBondContact O-N 3.1Å; L156-L159 VanDerWaalsContact O-N 3.16Å; L156-Q160 HydrophobicContact CD1-CG 4.36Å; L156-Q160 WeakPolarHBondContact O-CB 3.22Å; L156-Q160 WeakPolarHBondContact O-CG 3.47Å; L156-Q160 PolarHBondContact O-N 2.77Å; L156-W167 HydrophobicContact CD1-CH2 3.58Å; L156-W167 HydrophobicContact CD1-CZ2 4.38Å; L156-W167 HydrophobicContact CD1-CZ3 4.41Å
157A98.1Very high96.8Very high39 Ų3980.3 Ų80.332%0.32240%0.397SS..Hα-helixtrans-61.5-36.9178.300000112.3A153 E154 N155 R161A153-A157 PolarHBondContact O-N 3.11Å; E154-A157 PolarHBondContact O-N 3.42Å; N155-A157 PolarHBondContact O-N 3.28Å; A157-R161 WeakPolarHBondContact O-CG 3.38Å; A157-R161 PolarHBondContact O-N 3.22Å; A157-R161 PolarHBondContact O-NE 2.64Å
158R98Very high97Very high137 Ų13780.9 Ų80.952%0.51740%0.399SS..Hα-helixtrans-66.5-43.7173.7-177.217762.8172.9-1.8111.9E154 N155 L156 R161 A162E154-R158 PolarHBondContact O-N 2.82Å; N155-R158 WeakPolarHBondContact O-CB 3.13Å; N155-R158 PolarHBondContact O-N 3.36Å; N155-R158 PolarHBondContact OD1-NH2 3.03Å; L156-R158 VanDerWaalsContact C-N 3.29Å; L156-R158 PolarHBondContact O-N 2.83Å; R158-R161 PolarHBondContact O-N 3.25Å; R158-A162 WeakPolarHBondContact O-CB 3.39Å; R158-A162 PolarHBondContact O-N 3.16Å
159L98Very high96.9Very high7 Ų785.4 Ų85.44%0.03742%0.418CS..Hα-helixtrans-68.3-38.6179.5-67165.4000112N128 Y131 A132 L135 N155 L156 R161 A162 F163N128-L159 HydrophobicContact CB-CD2 3.8Å; Y131-L159 HydrophobicContact CD1-CD1 3.75Å; Y131-L159 HydrophobicContact CE1-CD1 4.38Å; Y131-L159 HydrophobicContact CG-CD1 4.44Å; A132-L159 HydrophobicContact CB-CB 4.18Å; A132-L159 HydrophobicContact CB-CD1 4.1Å; L135-L159 HydrophobicContact CD1-CD1 4.1Å; N155-L159 VanDerWaalsContact O-CG 3.22Å; N155-L159 WeakPolarHBondContact O-CG 3.32Å; N155-L159 PolarHBondContact O-N 2.97Å; L156-L159 PolarHBondContact O-N 3.1Å; L156-L159 VanDerWaalsContact O-N 3.16Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 2.99Å; L159-A162 PolarHBondContact O-N 3.36Å; L159-F163 HydrophobicContact CB-CD2 4.3Å; L159-F163 HydrophobicContact CD2-CD2 4.28Å; L159-F163 HydrophobicContact CD2-CE2 3.74Å; L159-F163 WeakPolarHBondContact O-CB 3.36Å; L159-F163 WeakPolarHBondContact O-CD2 3.25Å; L159-F163 PolarHBondContact O-N 3.42Å
160Q97.7Very high96.9Very high82 Ų8284 Ų8438%0.38341%0.406SS..Hα-helixtrans-58-43.6172.8-79176.7-2000111.8L156 A164 W167L156-Q160 HydrophobicContact CD1-CG 4.36Å; L156-Q160 WeakPolarHBondContact O-CB 3.22Å; L156-Q160 WeakPolarHBondContact O-CG 3.47Å; L156-Q160 PolarHBondContact O-N 2.77Å; Q160-A164 VanDerWaalsContact O-CA 3.29Å; Q160-A164 WeakPolarHBondContact O-CA 3.29Å; Q160-A164 PolarHBondContact O-N 2.94Å; Q160-W167 HydrophobicContact CB-CE3 4.33Å; Q160-W167 HydrophobicContact CB-CZ3 4.28Å; Q160-W167 HydrophobicContact CG-CD2 3.96Å; Q160-W167 HydrophobicContact CG-CE3 3.74Å; Q160-W167 HydrophobicContact CG-CH2 3.34Å; Q160-W167 HydrophobicContact CG-CZ2 3.54Å; Q160-W167 HydrophobicContact CG-CZ3 3.42Å; Q160-W167 VanDerWaalsContact CG-CZ3 3.42Å; Q160-W167 VanDerWaalsContact NE2-CZ2 3.3Å
161R97.6Very high96.9Very high178 Ų17881.3 Ų81.367%0.67239%0.388SS*.Hα-helixtrans-64.3-45.8173.8-75-179.1-78.8124.3-10.7111.8A157 R158 L159 F163A157-R161 WeakPolarHBondContact O-CG 3.38Å; A157-R161 PolarHBondContact O-N 3.22Å; A157-R161 PolarHBondContact O-NE 2.64Å; R158-R161 PolarHBondContact O-N 3.25Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 2.99Å; R161-F163 PolarHBondContact O-N 3.41Å
162A97.1Very high96.8Very high73 Ų7384.6 Ų84.660%0.60341%0.405SS*.Hα-helixtrans-66.3-35.3-178.700000113.2R158 L159R158-A162 WeakPolarHBondContact O-CB 3.39Å; R158-A162 PolarHBondContact O-N 3.16Å; L159-A162 PolarHBondContact O-N 3.36Å
163F97.1Very high96.7Very high46 Ų4689.1 Ų89.120%0.20243%0.426CS..THydrogen-bonded Turntrans-110.923.5-175.5-59.1-52.5000113.7N128 A132 L159 R161 R165 K166 W167 I170N128-F163 HydrophobicContact CB-CE2 3.91Å; N128-F163 HydrophobicContact CB-CZ 3.79Å; A132-F163 HydrophobicContact CB-CD2 4.36Å; L159-F163 HydrophobicContact CB-CD2 4.3Å; L159-F163 HydrophobicContact CD2-CD2 4.28Å; L159-F163 HydrophobicContact CD2-CE2 3.74Å; L159-F163 WeakPolarHBondContact O-CB 3.36Å; L159-F163 WeakPolarHBondContact O-CD2 3.25Å; L159-F163 PolarHBondContact O-N 3.42Å; R161-F163 PolarHBondContact O-N 3.41Å; F163-R165 PolarHBondContact O-N 3.38Å; F163-K166 CarbonylContact O-C 3.57Å; F163-K166 WeakPolarHBondContact O-CA 3.48Å; F163-K166 PolarHBondContact O-N 3.48Å; F163-W167 PolarHBondContact O-N 2.98Å; F163-I170 HydrophobicContact CB-CD1 3.71Å; F163-I170 HydrophobicContact CD2-CD1 3.95Å; F163-I170 HydrophobicContact CG-CD1 4.02Å
164A96.6Very high96.6Very high70 Ų7086.9 Ų86.958%0.57941%0.408SS*.G310 helixtrans-49.4-40.4-17400000113.8Q160 K166Q160-A164 VanDerWaalsContact O-CA 3.29Å; Q160-A164 WeakPolarHBondContact O-CA 3.29Å; Q160-A164 PolarHBondContact O-N 2.94Å; A164-K166 PolarHBondContact O-N 2.59Å
165R95.3Very high96.5Very high247 Ų24783.6 Ų83.693%0.93239%0.392SS*.G310 helixtrans-74.7-20.4179-65.2-177177.7174.5-0.7114.7F163F163-R165 PolarHBondContact O-N 3.38Å
166K94.4Very high96.4Very high141 Ų14184.5 Ų84.561%0.61340%0.404SS*.G310 helixtrans-108.53.9179.8-65.4-175.5178.1-177.20112.3F163 A164 E168 F169 I170F163-K166 CarbonylContact O-C 3.57Å; F163-K166 WeakPolarHBondContact O-CA 3.48Å; F163-K166 PolarHBondContact O-N 3.48Å; A164-K166 PolarHBondContact O-N 2.59Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 2.94Å; K166-F169 WeakPolarHBondContact O-CB 3.43Å; K166-F169 PolarHBondContact O-N 3.3Å; K166-F169 VanDerWaalsContact O-N 3.07Å; K166-I170 PolarHBondContact O-N 3.43Å
167W96.6Very high96.1Very high53 Ų5386.1 Ų86.120%0.20141%0.411CS..Hα-helixtrans-62-37.7-170.9-171.8-103.4000112.7A132 C136 L156 Q160 F163 F169 I170 F171A132-W167 HydrophobicContact CB-CZ3 4.32Å; C136-W167 HydrophobicContact CB-CH2 4.34Å; C136-W167 HydrophobicContact CB-CZ2 4.42Å; L156-W167 HydrophobicContact CD1-CH2 3.58Å; L156-W167 HydrophobicContact CD1-CZ2 4.38Å; L156-W167 HydrophobicContact CD1-CZ3 4.41Å; Q160-W167 HydrophobicContact CB-CE3 4.33Å; Q160-W167 HydrophobicContact CB-CZ3 4.28Å; Q160-W167 HydrophobicContact CG-CD2 3.96Å; Q160-W167 HydrophobicContact CG-CE3 3.74Å; Q160-W167 HydrophobicContact CG-CH2 3.34Å; Q160-W167 HydrophobicContact CG-CZ2 3.54Å; Q160-W167 HydrophobicContact CG-CZ3 3.42Å; Q160-W167 VanDerWaalsContact CG-CZ3 3.42Å; Q160-W167 VanDerWaalsContact NE2-CZ2 3.3Å; F163-W167 PolarHBondContact O-N 2.98Å; W167-F169 VanDerWaalsContact C-N 3.29Å; W167-F169 PolarHBondContact O-N 3.1Å; W167-I170 HydrophobicContact CE3-CB 4.48Å; W167-I170 HydrophobicContact CE3-CD1 4.11Å; W167-I170 HydrophobicContact CE3-CG2 4.39Å; W167-I170 HydrophobicContact CH2-CG2 4.34Å; W167-I170 HydrophobicContact CZ3-CD1 4.33Å; W167-I170 HydrophobicContact CZ3-CG2 4.09Å; W167-I170 PolarHBondContact O-N 2.96Å; W167-F171 WeakPolarHBondContact O-CB 3.32Å; W167-F171 PolarHBondContact O-N 3.43Å
168E95.9Very high95.9Very high149 Ų14984.6 Ų84.670%0.69640%0.398SS*.Hα-helixtrans-58.8-39.8175.4-66.8-173.9164.600112.1K166 F171 M172K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 2.94Å; E168-F171 PolarHBondContact O-N 2.99Å; E168-M172 WeakPolarHBondContact O-CB 3.28Å; E168-M172 VanDerWaalsContact O-CG 3.32Å; E168-M172 WeakPolarHBondContact O-CG 3.25Å; E168-M172 PolarHBondContact O-N 2.91Å
169F95.2Very high95.7Very high131 Ų13183.4 Ų83.458%0.57540%0.396SS*.Hα-helixtrans-66.9-42.5176.3-63.6-74.7000112.2K166 W167 F171 M172 Q173K166-F169 WeakPolarHBondContact O-CB 3.43Å; K166-F169 PolarHBondContact O-N 3.3Å; K166-F169 VanDerWaalsContact O-N 3.07Å; W167-F169 VanDerWaalsContact C-N 3.29Å; W167-F169 PolarHBondContact O-N 3.1Å; F169-F171 VanDerWaalsContact C-N 3.31Å; F169-F171 PolarHBondContact O-N 3.13Å; F169-M172 HydrophobicContact CD1-CE 3.57Å; F169-M172 HydrophobicContact CE1-CE 4.02Å; F169-M172 HydrophobicContact CG-CE 4.2Å; F169-M172 PolarHBondContact O-N 2.96Å; F169-Q173 WeakPolarHBondContact O-CG 3.4Å; F169-Q173 PolarHBondContact O-N 3.4Å
170I95.6Very high95.4Very high3 Ų387 Ų872%0.01541%0.414CS..Hα-helixtrans-60-45.1175.3-67.5170.5000110.1T129 A132 I133 F163 K166 W167 Q173 A174T129-I170 HydrophobicContact CG2-CD1 4.47Å; T129-I170 HydrophobicContact CG2-CG1 4.25Å; A132-I170 HydrophobicContact CB-CD1 4.06Å; A132-I170 HydrophobicContact CB-CG2 4Å; I133-I170 HydrophobicContact CG1-CG2 3.95Å; F163-I170 HydrophobicContact CB-CD1 3.71Å; F163-I170 HydrophobicContact CD2-CD1 3.95Å; F163-I170 HydrophobicContact CG-CD1 4.02Å; K166-I170 PolarHBondContact O-N 3.43Å; W167-I170 HydrophobicContact CE3-CB 4.48Å; W167-I170 HydrophobicContact CE3-CD1 4.11Å; W167-I170 HydrophobicContact CE3-CG2 4.39Å; W167-I170 HydrophobicContact CH2-CG2 4.34Å; W167-I170 HydrophobicContact CZ3-CD1 4.33Å; W167-I170 HydrophobicContact CZ3-CG2 4.09Å; W167-I170 PolarHBondContact O-N 2.96Å; I170-Q173 PolarHBondContact O-N 2.93Å; I170-A174 WeakPolarHBondContact O-CB 3.46Å; I170-A174 PolarHBondContact O-N 2.88Å
171F96.8Very high95Very high92 Ų9283.5 Ų83.540%0.40440%0.399SS..Hα-helixtrans-63.3-45.4178-175-90.3000112M140 W167 E168 F169 Q173 A174 E175M140-F171 HydrophobicContact CE-CE1 4.16Å; M140-F171 HydrophobicContact CE-CE2 3.83Å; M140-F171 HydrophobicContact CE-CZ 3.6Å; M140-F171 HydrophobicContact CG-CE2 4.43Å; M140-F171 HydrophobicContact SD-CD2 4.4Å; M140-F171 HydrophobicContact SD-CE2 4.03Å; M140-F171 HydrophobicContact SD-CZ 4.41Å; W167-F171 WeakPolarHBondContact O-CB 3.32Å; W167-F171 PolarHBondContact O-N 3.43Å; E168-F171 PolarHBondContact O-N 2.99Å; F169-F171 VanDerWaalsContact C-N 3.31Å; F169-F171 PolarHBondContact O-N 3.13Å; F171-Q173 PolarHBondContact O-N 3.38Å; F171-A174 PolarHBondContact O-N 3.11Å; F171-E175 WeakPolarHBondContact O-CB 3.49Å; F171-E175 PolarHBondContact O-N 2.89Å
172M95.2Very high94.6Very high96 Ų9682.9 Ų82.947%0.47340%0.396SS..Hα-helixtrans-60.5-42.6176.5-75.9-172.9-7100112.2E168 F169 E175 A176E168-M172 WeakPolarHBondContact O-CB 3.28Å; E168-M172 VanDerWaalsContact O-CG 3.32Å; E168-M172 WeakPolarHBondContact O-CG 3.25Å; E168-M172 PolarHBondContact O-N 2.91Å; F169-M172 HydrophobicContact CD1-CE 3.57Å; F169-M172 HydrophobicContact CE1-CE 4.02Å; F169-M172 HydrophobicContact CG-CE 4.2Å; F169-M172 PolarHBondContact O-N 2.96Å; M172-E175 PolarHBondContact O-N 3.41Å; M172-A176 WeakPolarHBondContact O-CB 3.46Å; M172-A176 PolarHBondContact O-N 3.28Å
173Q95.7Very high94.4Very high96 Ų9688.1 Ų88.145%0.44941%0.405SS..Hα-helixtrans-65.2-44.4176-76-175.1-37.900112I133 F169 I170 F171 E175 A176 Q177I133-Q173 HydrophobicContact CD1-CB 4.21Å; I133-Q173 HydrophobicContact CG1-CB 4.33Å; I133-Q173 HydrophobicContact CG2-CB 4.47Å; F169-Q173 WeakPolarHBondContact O-CG 3.4Å; F169-Q173 PolarHBondContact O-N 3.4Å; I170-Q173 PolarHBondContact O-N 2.93Å; F171-Q173 PolarHBondContact O-N 3.38Å; Q173-E175 VanDerWaalsContact C-N 3.33Å; Q173-E175 PolarHBondContact O-N 2.99Å; Q173-A176 PolarHBondContact O-N 2.8Å; Q173-Q177 PolarHBondContact O-N 2.96Å
174A95.3Very high94.2Very high0 Ų088.9 Ų88.90%041%0.408CS..Hα-helixtrans-59.7-44.2175.100000111.5I133 C136 K137 M140 I170 F171 Q177 V178I133-A174 HydrophobicContact CG2-CB 4.21Å; C136-A174 HydrophobicContact CB-CB 3.93Å; K137-A174 HydrophobicContact CB-CB 4.15Å; M140-A174 HydrophobicContact SD-CB 4.03Å; I170-A174 WeakPolarHBondContact O-CB 3.46Å; I170-A174 PolarHBondContact O-N 2.88Å; F171-A174 PolarHBondContact O-N 3.11Å; A174-Q177 PolarHBondContact O-N 3.3Å; A174-V178 WeakPolarHBondContact O-CG2 3.34Å; A174-V178 PolarHBondContact O-N 3.14Å
175E95.6Very high94Very high73 Ų7390 Ų9034%0.34141%0.405SS..Hα-helixtrans-62.1-44.3177.6-161.7-161.9-160.200112.2M140 F171 M172 Q173 Q177 V178 K179M140-E175 HydrophobicContact CE-CB 3.74Å; M140-E175 HydrophobicContact CE-CG 3.74Å; F171-E175 WeakPolarHBondContact O-CB 3.49Å; F171-E175 PolarHBondContact O-N 2.89Å; M172-E175 PolarHBondContact O-N 3.41Å; Q173-E175 VanDerWaalsContact C-N 3.33Å; Q173-E175 PolarHBondContact O-N 2.99Å; E175-Q177 VanDerWaalsContact C-N 3.29Å; E175-Q177 PolarHBondContact O-N 3.46Å; E175-V178 PolarHBondContact O-N 2.78Å; E175-K179 WeakPolarHBondContact O-CG 3.39Å; E175-K179 PolarHBondContact O-N 3.32Å; E175-K179 IonicContact OE1-NZ 2.88Å; E175-K179 PolarHBondContact OE1-NZ 2.8Å; E175-K179 IonicContact OE2-NZ 3.56Å; E175-K179 PolarHBondContact OE2-NZ 2.99Å
176A95.1Very high93.8Very high47 Ų4785.6 Ų85.639%0.38839%0.393SS..Hα-helixtrans-58.6-43175.900000111.1M172 Q173 K179 I180M172-A176 WeakPolarHBondContact O-CB 3.46Å; M172-A176 PolarHBondContact O-N 3.28Å; Q173-A176 PolarHBondContact O-N 2.8Å; A176-K179 WeakPolarHBondContact O-CB 3.19Å; A176-K179 PolarHBondContact O-N 3.03Å; A176-I180 WeakPolarHBondContact O-CG1 3.33Å; A176-I180 PolarHBondContact O-N 3.5Å; A176-I180 VanDerWaalsContact O-N 3.08Å
177Q92.5Very high93.5Very high49 Ų4981 Ų8123%0.22938%0.381CS..Hα-helixtrans-65.9-41.4176.5-165.160.145.300112.2K137 Q173 A174 E175 K179 I180 D181K137-Q177 HydrophobicContact CD-CB 3.8Å; K137-Q177 HydrophobicContact CD-CG 3.52Å; Q173-Q177 PolarHBondContact O-N 2.96Å; A174-Q177 PolarHBondContact O-N 3.3Å; E175-Q177 VanDerWaalsContact C-N 3.29Å; E175-Q177 PolarHBondContact O-N 3.46Å; Q177-K179 VanDerWaalsContact C-N 3.29Å; Q177-K179 PolarHBondContact O-N 3.44Å; Q177-I180 PolarHBondContact O-N 3.23Å; Q177-D181 PolarHBondContact NE2-OD1 3.39Å; Q177-D181 WeakPolarHBondContact O-CB 3.41Å; Q177-D181 VanDerWaalsContact O-CG 3.26Å; Q177-D181 PolarHBondContact O-N 3.14Å
178V92.9Very high93.2Very high7 Ų782.6 Ų82.64%0.04239%0.391CS..Hα-helixtrans-58.4-41.5173174.50000111.1K137 M140 A174 E175 I180 D181 R182K137-V178 HydrophobicContact CG-CG2 3.58Å; M140-V178 HydrophobicContact CB-CG2 4.23Å; A174-V178 WeakPolarHBondContact O-CG2 3.34Å; A174-V178 PolarHBondContact O-N 3.14Å; E175-V178 PolarHBondContact O-N 2.78Å; V178-I180 VanDerWaalsContact C-N 3.32Å; V178-I180 PolarHBondContact O-N 3.38Å; V178-D181 PolarHBondContact O-N 2.67Å; V178-R182 HydrophobicContact CG1-CG 4.29Å; V178-R182 WeakPolarHBondContact O-CB 3.47Å; V178-R182 VanDerWaalsContact O-CG 3.28Å; V178-R182 WeakPolarHBondContact O-CG 3.36Å; V178-R182 PolarHBondContact O-N 3.29Å
179K93.6Very high93Very high111 Ų11177.8 Ų77.848%0.48337%0.366SS..Hα-helixtrans-62.5-39.9178.1-72.8168.1-177.4161.70111.4E175 A176 Q177E175-K179 WeakPolarHBondContact O-CG 3.39Å; E175-K179 PolarHBondContact O-N 3.32Å; E175-K179 IonicContact OE1-NZ 2.88Å; E175-K179 PolarHBondContact OE1-NZ 2.8Å; E175-K179 IonicContact OE2-NZ 3.56Å; E175-K179 PolarHBondContact OE2-NZ 2.99Å; A176-K179 WeakPolarHBondContact O-CB 3.19Å; A176-K179 PolarHBondContact O-N 3.03Å; Q177-K179 VanDerWaalsContact C-N 3.29Å; Q177-K179 PolarHBondContact O-N 3.44Å
180I91.1Very high92.8Very high82 Ų8275.2 Ų75.242%0.42136%0.355SS..Hα-helixtrans-65.7-49.5174.4-65.5166.6000110.4A176 Q177 V178 R182 K183A176-I180 WeakPolarHBondContact O-CG1 3.33Å; A176-I180 PolarHBondContact O-N 3.5Å; A176-I180 VanDerWaalsContact O-N 3.08Å; Q177-I180 PolarHBondContact O-N 3.23Å; V178-I180 VanDerWaalsContact C-N 3.32Å; V178-I180 PolarHBondContact O-N 3.38Å; I180-R182 PolarHBondContact O-N 2.71Å; I180-K183 WeakPolarHBondContact O-CB 3.49Å; I180-K183 PolarHBondContact O-N 3.25Å
181D89.4Confident92.6Very high10 Ų1076.9 Ų76.95%0.05336%0.363CS..Hα-helixtrans-64.5-28.1-176.9-66.9-18.5000112.3K137 Q177 V178 K183 K184 R189K137-D181 IonicContact NZ-OD2 3.48Å; K137-D181 PolarHBondContact NZ-OD2 3.43Å; Q177-D181 PolarHBondContact NE2-OD1 3.39Å; Q177-D181 WeakPolarHBondContact O-CB 3.41Å; Q177-D181 VanDerWaalsContact O-CG 3.26Å; Q177-D181 PolarHBondContact O-N 3.14Å; V178-D181 PolarHBondContact O-N 2.67Å; D181-K183 VanDerWaalsContact C-N 3.29Å; D181-K183 PolarHBondContact O-N 3.3Å; D181-K184 PolarHBondContact O-N 3.23Å; D181-R189 WeakPolarHBondContact O-CD 3.31Å; D181-R189 PolarHBondContact O-NE 3.22Å; D181-R189 VanDerWaalsContact O-NE 3.11Å
182R90.3Very high92.5Very high164 Ų16475 Ų7562%0.61936%0.357SS*.Hα-helixtrans-67.5-24.6174.5-79177.4-178.4-170.83.1113.9V178 I180 K184V178-R182 HydrophobicContact CG1-CG 4.29Å; V178-R182 WeakPolarHBondContact O-CB 3.47Å; V178-R182 VanDerWaalsContact O-CG 3.28Å; V178-R182 WeakPolarHBondContact O-CG 3.36Å; V178-R182 PolarHBondContact O-N 3.29Å; I180-R182 PolarHBondContact O-N 2.71Å; R182-K184 VanDerWaalsContact C-N 3.31Å
183K92.8Very high92.4Very high184 Ų18470.9 Ų70.980%0.834%0.337SS*.Hα-helixtrans-74.4-22.4177.5-63.8178.2-179.4-1800112.7I180 D181I180-K183 WeakPolarHBondContact O-CB 3.49Å; I180-K183 PolarHBondContact O-N 3.25Å; D181-K183 VanDerWaalsContact C-N 3.29Å; D181-K183 PolarHBondContact O-N 3.3Å
184K92.1Very high92.4Very high61 Ų6167 Ų6727%0.26532%0.32SS..SBendtrans-76151.6178.4-60.2-176.8-179.6169.70111.4D181 R182 R189 L192D181-K184 PolarHBondContact O-N 3.23Å; R182-K184 VanDerWaalsContact C-N 3.31Å; K184-R189 HydrophobicContact CB-CB 4.4Å; K184-R189 PolarHBondContact O-NH2 3.43Å; K184-L192 HydrophobicContact CD-CD1 3.4Å
185D93.5Very high92.5Very high94 Ų9468.3 Ų68.350%0.50333%0.327SS..  trans-64.9162.4176.983.374.8000111.5A187 E188 R189D185-A187 VanDerWaalsContact C-N 3.33Å; D185-A187 PolarHBondContact O-N 3.11Å; D185-A187 WeakPolarHBondContact OD1-CA 3.49Å; D185-A187 WeakPolarHBondContact OD1-CB 3.31Å; D185-A187 PolarHBondContact OD1-N 3.17Å; D185-E188 PolarHBondContact OD1-N 2.8Å; D185-E188 WeakPolarHBondContact OD2-CB 3.46Å; D185-R189 WeakPolarHBondContact O-CB 3.34Å; D185-R189 PolarHBondContact O-N 3.02Å
186K89.6Confident92.6Very high155 Ų15565.7 Ų65.767%0.67431%0.314SS*.Hα-helixtrans-65.5-34.1-172.4-176.5176.9178.3178.40112.9K190K186-K190 WeakPolarHBondContact O-CG 3.34Å; K186-K190 PolarHBondContact O-N 3.35Å
187A88Confident92.7Very high45 Ų4564.7 Ų64.737%0.37230%0.301SS..Hα-helixtrans-77.4-48.4-178.400000110.5D185 R189 K190 I191D185-A187 VanDerWaalsContact C-N 3.33Å; D185-A187 PolarHBondContact O-N 3.11Å; D185-A187 WeakPolarHBondContact OD1-CA 3.49Å; D185-A187 WeakPolarHBondContact OD1-CB 3.31Å; D185-A187 PolarHBondContact OD1-N 3.17Å; A187-R189 PolarHBondContact O-N 3.26Å; A187-K190 WeakPolarHBondContact O-CB 3.47Å; A187-K190 PolarHBondContact O-N 3.27Å; A187-I191 WeakPolarHBondContact O-CG1 3.29Å; A187-I191 PolarHBondContact O-N 3.45Å
188E90.6Very high92.9Very high86 Ų8662.4 Ų62.440%0.40229%0.29SS..Hα-helixtrans-57.6-47.6176.3-175.7-170.2-169.600111.4D185 K190 I191 L192D185-E188 PolarHBondContact OD1-N 2.8Å; D185-E188 WeakPolarHBondContact OD2-CB 3.46Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.09Å; E188-I191 PolarHBondContact O-N 3.49Å; E188-L192 HydrophobicContact CG-CD1 3.99Å; E188-L192 HydrophobicContact CG-CG 4.5Å; E188-L192 WeakPolarHBondContact O-CG 3.39Å; E188-L192 PolarHBondContact O-N 3.13Å
189R92.2Very high93.2Very high47 Ų4762.1 Ų62.118%0.17729%0.288CS..Hα-helixtrans-58.3-39.2177.6-166.5-170.3-30.8177.55.1112.9D181 K184 D185 A187 I191 L192 D193D181-R189 WeakPolarHBondContact O-CD 3.31Å; D181-R189 PolarHBondContact O-NE 3.22Å; D181-R189 VanDerWaalsContact O-NE 3.11Å; K184-R189 HydrophobicContact CB-CB 4.4Å; K184-R189 PolarHBondContact O-NH2 3.43Å; D185-R189 WeakPolarHBondContact O-CB 3.34Å; D185-R189 PolarHBondContact O-N 3.02Å; A187-R189 PolarHBondContact O-N 3.26Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.47Å; R189-L192 PolarHBondContact O-N 2.86Å; R189-D193 WeakPolarHBondContact O-CB 3.36Å; R189-D193 PolarHBondContact O-N 3.16Å
190K90.8Very high93.4Very high77 Ų7756.9 Ų56.934%0.33527%0.265SS..Hα-helixtrans-64.5-38176.8-81.7-178.5174.4-1660112.2K186 A187 E188 S194K186-K190 WeakPolarHBondContact O-CG 3.34Å; K186-K190 PolarHBondContact O-N 3.35Å; A187-K190 WeakPolarHBondContact O-CB 3.47Å; A187-K190 PolarHBondContact O-N 3.27Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.09Å; K190-S194 WeakPolarHBondContact O-CB 3.33Å; K190-S194 PolarHBondContact O-N 2.88Å; K190-S194 PolarHBondContact O-OG 3.23Å
191I92.2Very high93.7Very high38 Ų3853.2 Ų53.220%0.19525%0.247CC..Hα-helixtrans-67.6-50.1178-63.6171.9000109.3P57 A187 E188 R189 D193 S194 Q195P57-I191 HydrophobicContact CG-CD1 4.08Å; P57-I191 HydrophobicContact CG-CG1 4.35Å; A187-I191 WeakPolarHBondContact O-CG1 3.29Å; A187-I191 PolarHBondContact O-N 3.45Å; E188-I191 PolarHBondContact O-N 3.49Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.47Å; I191-D193 PolarHBondContact O-N 2.63Å; I191-S194 PolarHBondContact O-N 3.14Å; I191-S194 VanDerWaalsContact O-N 3.07Å; I191-S194 PolarHBondContact O-OG 3.4Å; I191-Q195 HydrophobicContact CG2-CG 4.4Å; I191-Q195 WeakPolarHBondContact O-CG 3.3Å; I191-Q195 PolarHBondContact O-N 3.1Å
192L93.6Very high94.1Very high52 Ų5253.2 Ų53.227%0.27225%0.247SC..Hα-helixtrans-60.4-45.3179.4-70.4170.5000112.6K184 E188 R189 S194 Q195 E196K184-L192 HydrophobicContact CD-CD1 3.4Å; E188-L192 HydrophobicContact CG-CD1 3.99Å; E188-L192 HydrophobicContact CG-CG 4.5Å; E188-L192 WeakPolarHBondContact O-CG 3.39Å; E188-L192 PolarHBondContact O-N 3.13Å; R189-L192 PolarHBondContact O-N 2.86Å; L192-S194 PolarHBondContact O-N 2.93Å; L192-Q195 PolarHBondContact O-N 3.28Å; L192-E196 WeakPolarHBondContact O-CB 3.32Å; L192-E196 PolarHBondContact O-N 3.32Å
193D93.8Very high94.4Very high10 Ų1046 Ų465%0.05322%0.22CC..Hα-helixtrans-56.5-39.8174.8-68.8-25.2000111R145 L146 R189 I191 R197R145-D193 IonicContact CZ-OD2 3.44Å; R145-D193 VanDerWaalsContact CZ-OD2 3.25Å; R145-D193 IonicContact NH1-OD2 3.52Å; R145-D193 PolarHBondContact NH1-OD2 2.71Å; R145-D193 IonicContact NH2-OD2 2.72Å; R145-D193 PolarHBondContact NH2-OD2 3.34Å; L146-D193 HydrophobicContact CD2-CB 4.26Å; R189-D193 WeakPolarHBondContact O-CB 3.36Å; R189-D193 PolarHBondContact O-N 3.16Å; I191-D193 PolarHBondContact O-N 2.63Å; D193-R197 WeakPolarHBondContact O-CB 3.41Å; D193-R197 PolarHBondContact O-N 3.04Å
194S95.6Very high94.6Very high15 Ų1539.9 Ų39.911%0.10519%0.192CC..Hα-helixtrans-74.5-33.8-179.671.50000113.3F95 K190 I191 L192 A198F95-S194 WeakPolarHBondContact CE2-O 3.3Å; K190-S194 WeakPolarHBondContact O-CB 3.33Å; K190-S194 PolarHBondContact O-N 2.88Å; K190-S194 PolarHBondContact O-OG 3.23Å; I191-S194 PolarHBondContact O-N 3.14Å; I191-S194 VanDerWaalsContact O-N 3.07Å; I191-S194 PolarHBondContact O-OG 3.4Å; L192-S194 PolarHBondContact O-N 2.93Å; S194-A198 WeakPolarHBondContact O-CB 3.48Å; S194-A198 PolarHBondContact O-N 3.33Å
195Q97.1Very high94.9Very high28 Ų2838.5 Ų38.513%0.13119%0.189CC..Hα-helixtrans-68.3-44175.1-77.5-178.8-26.800111.5F95 Q114 F118 I191 L192 A198 F199F95-Q195 HydrophobicContact CE1-CG 4.19Å; F95-Q195 HydrophobicContact CZ-CB 4.45Å; F95-Q195 HydrophobicContact CZ-CG 3.85Å; Q114-Q195 PolarHBondContact NE2-O 2.98Å; Q114-Q195 VanDerWaalsContact OE1-CB 3.29Å; F118-Q195 HydrophobicContact CD2-CB 4.27Å; F118-Q195 HydrophobicContact CE2-CB 4.2Å; I191-Q195 HydrophobicContact CG2-CG 4.4Å; I191-Q195 WeakPolarHBondContact O-CG 3.3Å; I191-Q195 PolarHBondContact O-N 3.1Å; L192-Q195 PolarHBondContact O-N 3.28Å; Q195-A198 PolarHBondContact O-N 3.23Å; Q195-F199 PolarHBondContact O-N 3.45Å
196E96.9Very high95Very high18 Ų1835.4 Ų35.48%0.08417%0.174CC..Hα-helixtrans-65.9-38.7175.2-171.6-175.5-151.600111.4Y134 K137 L192 F199 W200 Y234Y134-E196 HydrophobicContact CD2-CG 3.83Å; Y134-E196 HydrophobicContact CE2-CB 4.48Å; Y134-E196 HydrophobicContact CE2-CG 3.84Å; K137-E196 WeakPolarHBondContact CE-OE2 3.36Å; K137-E196 IonicContact NZ-OE1 2.68Å; K137-E196 PolarHBondContact NZ-OE1 3.48Å; K137-E196 IonicContact NZ-OE2 3.25Å; K137-E196 PolarHBondContact NZ-OE2 3.45Å; L192-E196 WeakPolarHBondContact O-CB 3.32Å; L192-E196 PolarHBondContact O-N 3.32Å; E196-F199 WeakPolarHBondContact O-CB 3.48Å; E196-F199 PolarHBondContact O-N 3.29Å; E196-W200 PolarHBondContact O-N 3.36Å; E196-W200 VanDerWaalsContact O-N 3.15Å; E196-Y234 WeakPolarHBondContact OE1-CE1 3.28Å; E196-Y234 PolarHBondContact OE1-OH 2.86Å
197R97.6Very high95.4Very high26 Ų2632.6 Ų32.610%0.09817%0.171CC..Hα-helixtrans-57.5-51.1170.4-178.7-172.961.585.1-13.7111.5P96 I97 D99 Y134 D193 F199 W200 D201P96-R197 PolarHBondContact O-NH2 3.38Å; I97-R197 PolarHBondContact O-NH2 3.44Å; D99-R197 PolarHBondContact O-NH1 2.8Å; Y134-R197 VanDerWaalsContact OH-CA 3.25Å; Y134-R197 WeakPolarHBondContact OH-CA 3.41Å; Y134-R197 WeakPolarHBondContact OH-CB 3.42Å; D193-R197 WeakPolarHBondContact O-CB 3.41Å; D193-R197 PolarHBondContact O-N 3.04Å; R197-F199 VanDerWaalsContact C-N 3.27Å; R197-F199 PolarHBondContact O-N 3.01Å; R197-W200 CarbonylContact O-C 3.35Å; R197-W200 WeakPolarHBondContact O-CA 3.48Å; R197-W200 PolarHBondContact O-N 2.92Å; R197-D201 IonicContact CZ-OD2 3.17Å; R197-D201 IonicContact NH1-OD2 2.87Å; R197-D201 PolarHBondContact NH1-OD2 3.13Å; R197-D201 VanDerWaalsContact O-CG 3.3Å; R197-D201 PolarHBondContact O-N 3.12Å
198A98.2Very high95.7Very high0 Ų034.6 Ų34.60%020%0.196CC..Hα-helixtrans-62.1-33.4-179.400000113.2F95 S194 Q195 D201 V202F95-A198 HydrophobicContact CB-CB 3.64Å; F95-A198 HydrophobicContact CD1-CB 3.38Å; F95-A198 HydrophobicContact CD2-CB 3.59Å; F95-A198 HydrophobicContact CE1-CB 3.82Å; F95-A198 HydrophobicContact CE2-CB 4Å; F95-A198 HydrophobicContact CG-CB 3.25Å; F95-A198 HydrophobicContact CZ-CB 4.1Å; S194-A198 WeakPolarHBondContact O-CB 3.48Å; S194-A198 PolarHBondContact O-N 3.33Å; Q195-A198 PolarHBondContact O-N 3.23Å; A198-D201 PolarHBondContact O-N 3.4Å; A198-V202 PolarHBondContact O-N 3.37Å
199F98.3Very high96Very high2 Ų232.9 Ų32.91%0.00919%0.193CC..Hα-helixtrans-59.7-48.2170.4169.6-93.7000111.1F118 W124 P126 Q195 E196 R197 D201 V202 H203 V233F118-F199 HydrophobicContact CB-CB 4.29Å; F118-F199 HydrophobicContact CB-CD2 4.04Å; F118-F199 HydrophobicContact CD1-CB 3.84Å; F118-F199 HydrophobicContact CD1-CD1 4.48Å; F118-F199 AromaticContact CD1-CD2 3.47Å; F118-F199 HydrophobicContact CD1-CD2 3.47Å; F118-F199 VanDerWaalsContact CD1-CD2 3.47Å; F118-F199 HydrophobicContact CD1-CE2 4.13Å; F118-F199 AromaticContact CD1-CG 3.67Å; F118-F199 HydrophobicContact CD1-CG 3.67Å; F118-F199 HydrophobicContact CE1-CB 4.3Å; F118-F199 HydrophobicContact CE1-CD2 4.29Å; F118-F199 HydrophobicContact CE1-CG 4.13Å; F118-F199 HydrophobicContact CG-CB 4.04Å; F118-F199 HydrophobicContact CG-CD2 4.11Å; F118-F199 HydrophobicContact CG-CG 4.31Å; W124-F199 HydrophobicContact CB-CE2 4Å; W124-F199 HydrophobicContact CB-CZ 4.28Å; W124-F199 AromaticContact CD1-CE2 3.78Å; W124-F199 AromaticContact CD2-CE2 3.96Å; W124-F199 HydrophobicContact CD2-CE2 3.96Å; W124-F199 HydrophobicContact CD2-CZ 4.28Å; W124-F199 HydrophobicContact CE3-CZ 4.5Å; W124-F199 AromaticContact CG-CE2 3.66Å; W124-F199 HydrophobicContact CG-CE2 3.66Å; W124-F199 HydrophobicContact CG-CZ 4.2Å; P126-F199 HydrophobicContact CB-CE1 4.16Å; P126-F199 HydrophobicContact CB-CZ 4.02Å; P126-F199 HydrophobicContact CG-CE1 4.22Å; P126-F199 HydrophobicContact CG-CZ 3.92Å; Q195-F199 PolarHBondContact O-N 3.45Å; E196-F199 WeakPolarHBondContact O-CB 3.48Å; E196-F199 PolarHBondContact O-N 3.29Å; R197-F199 VanDerWaalsContact C-N 3.27Å; R197-F199 PolarHBondContact O-N 3.01Å; F199-D201 VanDerWaalsContact C-N 3.34Å; F199-D201 PolarHBondContact O-N 3.17Å; F199-V202 WeakPolarHBondContact O-CB 3.49Å; F199-V202 PolarHBondContact O-N 3.23Å; F199-H203 AromaticContact CD2-CD2 3.61Å; F199-H203 AromaticContact CD2-NE2 3.78Å; F199-H203 AromaticContact CE1-CD2 3.86Å; F199-H203 AromaticContact CE2-CD2 3.27Å; F199-H203 WeakPolarHBondContact CE2-CD2 3.35Å; F199-H203 AromaticContact CE2-NE2 3.21Å; F199-H203 WeakPolarHBondContact CE2-NE2 3.41Å; F199-H203 AromaticContact CZ-CD2 3.41Å; F199-H203 VanDerWaalsContact CZ-CD2 3.41Å; F199-H203 WeakPolarHBondContact CZ-CD2 3.31Å; F199-H203 AromaticContact CZ-NE2 3.66Å; F199-H203 PolarHBondContact O-CD2 3.18Å; F199-H203 VanDerWaalsContact O-CD2 3.24Å; F199-H203 PolarHBondContact O-N 2.96Å; F199-V233 HydrophobicContact CE1-CG2 3.7Å; F199-V233 HydrophobicContact CZ-CG2 3.61Å
200W98Very high96.2Very high1 Ų136.7 Ų36.70%0.00422%0.221CC..Hα-helixtrans-69.3-29.8177.8-72.8114000113.5P126 D130 Y131 Y134 E196 R197 V202 H203 R204 Y234P126-W200 HydrophobicContact CB-CH2 3.63Å; P126-W200 HydrophobicContact CB-CZ3 3.8Å; P126-W200 HydrophobicContact CG-CH2 4.36Å; P126-W200 HydrophobicContact CG-CZ3 4.03Å; D130-W200 HydrophobicContact CB-CH2 3.77Å; D130-W200 HydrophobicContact CB-CZ2 3.9Å; Y131-W200 VanDerWaalsContact CA-CH2 3.48Å; Y131-W200 AromaticContact CD2-CD2 3.58Å; Y131-W200 HydrophobicContact CD2-CD2 3.58Å; Y131-W200 AromaticContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CE3 3.42Å; Y131-W200 VanDerWaalsContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CG 4.1Å; Y131-W200 HydrophobicContact CD2-CH2 4.24Å; Y131-W200 HydrophobicContact CD2-CZ2 4.39Å; Y131-W200 AromaticContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CE2-CB 4.28Å; Y131-W200 HydrophobicContact CE2-CD2 4.16Å; Y131-W200 HydrophobicContact CE2-CE3 4.09Å; Y131-W200 HydrophobicContact CE2-CG 4.26Å; Y131-W200 HydrophobicContact CG-CE3 4.03Å; Y131-W200 HydrophobicContact CG-CH2 4.34Å; Y131-W200 AromaticContact CG-CZ3 3.94Å; Y131-W200 HydrophobicContact CG-CZ3 3.94Å; Y131-W200 VanDerWaalsContact N-CH2 3.3Å; Y134-W200 HydrophobicContact CD1-CB 4.36Å; Y134-W200 AromaticContact CD1-CD1 3.43Å; Y134-W200 VanDerWaalsContact CD1-CD1 3.43Å; Y134-W200 HydrophobicContact CD1-CD2 4.38Å; Y134-W200 AromaticContact CD1-CG 3.81Å; Y134-W200 HydrophobicContact CD1-CG 3.81Å; Y134-W200 AromaticContact CD1-NE1 3.78Å; Y134-W200 AromaticContact CD2-CD1 3.4Å; Y134-W200 HydrophobicContact CD2-CG 4.48Å; Y134-W200 AromaticContact CD2-NE1 3.51Å; Y134-W200 HydrophobicContact CE1-CB 4.05Å; Y134-W200 AromaticContact CE1-CD1 3.64Å; Y134-W200 AromaticContact CE1-CG 3.94Å; Y134-W200 HydrophobicContact CE1-CG 3.94Å; Y134-W200 AromaticContact CE2-CD1 3.6Å; Y134-W200 AromaticContact CG-CD1 3.3Å; Y134-W200 HydrophobicContact CG-CG 4.09Å; Y134-W200 AromaticContact CG-NE1 3.26Å; Y134-W200 VanDerWaalsContact CG-NE1 3.26Å; Y134-W200 AromaticContact CZ-CD1 3.71Å; E196-W200 PolarHBondContact O-N 3.36Å; E196-W200 VanDerWaalsContact O-N 3.15Å; R197-W200 CarbonylContact O-C 3.35Å; R197-W200 WeakPolarHBondContact O-CA 3.48Å; R197-W200 PolarHBondContact O-N 2.92Å; W200-V202 PolarHBondContact O-N 3.05Å; W200-H203 HydrophobicContact CE3-CB 4.3Å; W200-H203 PolarHBondContact O-N 2.73Å; W200-R204 HydrophobicContact CE3-CB 4.5Å; W200-R204 HydrophobicContact CE3-CG 3.8Å; W200-R204 HydrophobicContact CZ3-CG 4.07Å; W200-R204 CarbonylContact O-C 3.56Å; W200-R204 WeakPolarHBondContact O-CA 3.47Å; W200-R204 WeakPolarHBondContact O-CB 3.45Å; W200-R204 PolarHBondContact O-N 3.06Å; W200-Y234 HydrophobicContact CZ2-CE2 4.21Å; W200-Y234 PolarHBondContact NE1-OH 3.06Å
201D98.3Very high96.4Very high5 Ų535 Ų353%0.02722%0.216CC..Hα-helixtrans-64.5-25173.7-65.7-27.1000112.2H100 L102 R197 A198 F199 P205H100-D201 IonicContact CE1-OD1 3.46Å; H100-D201 IonicContact CG-OD1 3.66Å; H100-D201 IonicContact ND1-OD1 3.56Å; H100-D201 PolarHBondContact ND1-OD1 3.4Å; H100-D201 IonicContact ND1-OD2 2.64Å; L102-D201 HydrophobicContact CD1-CB 3.87Å; L102-D201 HydrophobicContact CD2-CB 4.04Å; L102-D201 HydrophobicContact CG-CB 3.9Å; R197-D201 IonicContact CZ-OD2 3.17Å; R197-D201 IonicContact NH1-OD2 2.87Å; R197-D201 PolarHBondContact NH1-OD2 3.13Å; R197-D201 VanDerWaalsContact O-CG 3.3Å; R197-D201 PolarHBondContact O-N 3.12Å; A198-D201 PolarHBondContact O-N 3.4Å; F199-D201 VanDerWaalsContact C-N 3.34Å; F199-D201 PolarHBondContact O-N 3.17Å; D201-P205 VanDerWaalsContact O-CA 3.26Å; D201-P205 WeakPolarHBondContact O-CA 3.44Å; D201-P205 WeakPolarHBondContact O-CB 3.3Å
202V97.7Very high96.5Very high9 Ų934.4 Ų34.46%0.05521%0.214CC..Hα-helixtrans-77.3-51169.8175.40000111.2G92 L102 A198 F199 W200 T213G92-V202 VanDerWaalsContact CA-CG2 3.45Å; L102-V202 HydrophobicContact CD1-CB 4.44Å; L102-V202 HydrophobicContact CD1-CG2 3.46Å; L102-V202 VanDerWaalsContact CD1-CG2 3.46Å; A198-V202 PolarHBondContact O-N 3.37Å; F199-V202 WeakPolarHBondContact O-CB 3.49Å; F199-V202 PolarHBondContact O-N 3.23Å; W200-V202 PolarHBondContact O-N 3.05Å; V202-T213 HydrophobicContact CG1-CG2 3.82Å
203H96.4Very high96.4Very high14 Ų1434.6 Ų34.67%0.06522%0.217CC..Hα-helixtrans-84.4-17.3-169.6-71.8-76.6000114.5P126 F199 W200P126-H203 HydrophobicContact CG-CB 3.67Å; P126-H203 VanDerWaalsContact CG-CG 3.49Å; F199-H203 AromaticContact CD2-CD2 3.61Å; F199-H203 AromaticContact CD2-NE2 3.78Å; F199-H203 AromaticContact CE1-CD2 3.86Å; F199-H203 AromaticContact CE2-CD2 3.27Å; F199-H203 WeakPolarHBondContact CE2-CD2 3.35Å; F199-H203 AromaticContact CE2-NE2 3.21Å; F199-H203 WeakPolarHBondContact CE2-NE2 3.41Å; F199-H203 AromaticContact CZ-CD2 3.41Å; F199-H203 VanDerWaalsContact CZ-CD2 3.41Å; F199-H203 WeakPolarHBondContact CZ-CD2 3.31Å; F199-H203 AromaticContact CZ-NE2 3.66Å; F199-H203 PolarHBondContact O-CD2 3.18Å; F199-H203 VanDerWaalsContact O-CD2 3.24Å; F199-H203 PolarHBondContact O-N 2.96Å; W200-H203 HydrophobicContact CE3-CB 4.3Å; W200-H203 PolarHBondContact O-N 2.73Å
204R97Very high96.2Very high55 Ų5541 Ų4121%0.20825%0.247CC..SBendtrans-140.564.8177.8-63.2-64.3-176.6-75.4-3.5108.1P126 N128 Y131 W200P126-R204 PolarHBondContact O-NH2 3.2Å; N128-R204 PolarHBondContact OD1-NH2 3.35Å; Y131-R204 HydrophobicContact CD1-CG 3.78Å; Y131-R204 HydrophobicContact CD2-CG 4.02Å; Y131-R204 HydrophobicContact CE1-CB 4.01Å; Y131-R204 HydrophobicContact CE1-CG 3.78Å; Y131-R204 HydrophobicContact CE2-CB 4.04Å; Y131-R204 HydrophobicContact CE2-CG 4.02Å; Y131-R204 HydrophobicContact CG-CG 3.92Å; W200-R204 HydrophobicContact CE3-CB 4.5Å; W200-R204 HydrophobicContact CE3-CG 3.8Å; W200-R204 HydrophobicContact CZ3-CG 4.07Å; W200-R204 CarbonylContact O-C 3.56Å; W200-R204 WeakPolarHBondContact O-CA 3.47Å; W200-R204 WeakPolarHBondContact O-CB 3.45Å; W200-R204 PolarHBondContact O-N 3.06Å
205P97Very high95.6Very high31 Ų3142.9 Ų42.920%0.20126%0.255CS..PPolyproline II helixtrans-64.5158.2-170.128.3-36.1000112.4D201 C209 N211D201-P205 VanDerWaalsContact O-CA 3.26Å; D201-P205 WeakPolarHBondContact O-CA 3.44Å; D201-P205 WeakPolarHBondContact O-CB 3.3Å; P205-C209 HydrophobicContact CB-CB 4.18Å; P205-N211 HydrophobicContact CG-CB 4.15Å
206V97.1Very high95.1Very high30 Ų3044.7 Ų44.718%0.18227%0.266CS..PPolyproline II helixtrans-54.3135.7172.1-177.30000109.3H100 V101 Y151 G208 C209H100-V206 HydrophobicContact CB-CG2 3.56Å; V101-V206 HydrophobicContact CG2-CB 4.47Å; V101-V206 HydrophobicContact CG2-CG2 4.23Å; Y151-V206 HydrophobicContact CE1-CG1 4.49Å; Y151-V206 HydrophobicContact CE1-CG2 4Å; V206-G208 PolarHBondContact O-N 3.03Å; V206-C209 VanDerWaalsContact O-CB 3.29Å; V206-C209 WeakPolarHBondContact O-CB 3.45Å; V206-C209 PolarHBondContact O-N 3.48Å
207P97Very high94.5Very high96 Ų9649.3 Ų49.362%0.62329%0.29SS*.THydrogen-bonded Turntrans-52.5130.6177.2-2835.2000112.4Y151Y151-P207 HydrophobicContact CD2-CG 4.45Å; Y151-P207 HydrophobicContact CG-CG 4.3Å
208G95.3Very high93.8Very high87 Ų8756.4 Ų56.490%0.89732%0.316SS*.THydrogen-bonded Turntrans93.9-15-175.500000114.5V206V206-G208 PolarHBondContact O-N 3.03Å
209C96.4Very high92.9Very high49 Ų4960 Ų6033%0.33133%0.332SS..SBendtrans-78.5149.3169.2-65.40000111.5P205 V206 N211P205-C209 HydrophobicContact CB-CB 4.18Å; V206-C209 VanDerWaalsContact O-CB 3.29Å; V206-C209 WeakPolarHBondContact O-CB 3.45Å; V206-C209 PolarHBondContact O-N 3.48Å; C209-N211 PolarHBondContact O-N 2.81Å
210V96Very high91.7Very high127 Ų12762 Ų6277%0.7735%0.346SS*.  trans-67.1130.9173.7178.10000109.6T212V210-T212 PolarHBondContact O-N 3.12Å
211N95.5Very high90.2Very high41 Ų4171 Ų7122%0.21938%0.38CS..  trans-82.4100.4172.6-175.6-1.1000110.2P205 C209 T213 E214P205-N211 HydrophobicContact CG-CB 4.15Å; C209-N211 PolarHBondContact O-N 2.81Å; N211-T213 PolarHBondContact O-N 3.36Å; N211-T213 PolarHBondContact OD1-N 2.82Å; N211-T213 VanDerWaalsContact OD1-N 3.16Å; N211-T213 PolarHBondContact OD1-OG1 3.42Å; N211-E214 HydrophobicContact CB-CG 3.95Å; N211-E214 WeakPolarHBondContact CB-OE1 3.24Å; N211-E214 PolarHBondContact ND2-OE1 3.25Å; N211-E214 PolarHBondContact O-N 2.74Å
212T94.9Very high88.6Confident27 Ų2780.8 Ų80.817%0.16642%0.416CS..THydrogen-bonded Turntrans-70.1-9.2-177.355.30000113.7A90 V210A90-T212 HydrophobicContact CB-CG2 3.87Å; A90-T212 WeakPolarHBondContact O-CG2 3.44Å; A90-T212 PolarHBondContact O-OG1 3.27Å; V210-T212 PolarHBondContact O-N 3.12Å
213T90.9Very high86.8Confident55 Ų5583.2 Ų83.234%0.33743%0.427SS..THydrogen-bonded Turntrans-87.8-6.4175.581.10000112.9V202 N211V202-T213 HydrophobicContact CG1-CG2 3.82Å; N211-T213 PolarHBondContact O-N 3.36Å; N211-T213 PolarHBondContact OD1-N 2.82Å; N211-T213 VanDerWaalsContact OD1-N 3.16Å; N211-T213 PolarHBondContact OD1-OG1 3.42Å
214E89.7Confident84.8Confident144 Ų14491 Ų9167%0.67346%0.461SS*.  trans-72.6134.3176.3-73177.3-165.800111.1N211N211-E214 HydrophobicContact CB-CG 3.95Å; N211-E214 WeakPolarHBondContact CB-OE1 3.24Å; N211-E214 PolarHBondContact ND2-OE1 3.25Å; N211-E214 PolarHBondContact O-N 2.74Å
215M83.4Confident82.6Confident56 Ų5691.9 Ų91.928%0.27647%0.47SS..  trans-117.8143.2-177.3-68-168.659.300111.3P21 N22 I217 K219 C220 E223P21-M215 HydrophobicContact CG-CE 4.29Å; N22-M215 WeakPolarHBondContact ND2-CE 3.45Å; M215-I217 PolarHBondContact O-N 3.18Å; M215-K219 HydrophobicContact CE-CB 4.08Å; M215-C220 VanDerWaalsContact CB-SG 3.5Å; M215-E223 VanDerWaalsContact CE-CD 3.44Å; M215-E223 WeakPolarHBondContact CE-OE1 3.37Å; M215-E223 VanDerWaalsContact CE-OE2 3.3Å; M215-E223 WeakPolarHBondContact CE-OE2 3.46Å
216D85.9Confident80.2Confident66 Ų6696 Ų9635%0.35350%0.496SS..  trans-58.3130.3172.7-175.5-51.4000109.7R218 K219 C220D216-R218 PolarHBondContact O-N 2.89Å; D216-R218 WeakPolarHBondContact OD1-CB 3.47Å; D216-R218 WeakPolarHBondContact OD1-CG 3.37Å; D216-R218 PolarHBondContact OD1-N 2.67Å; D216-R218 IonicContact OD1-NE 3.76Å; D216-R218 PolarHBondContact OD1-NE 3.26Å; D216-R218 VanDerWaalsContact OD1-NE 3.11Å; D216-R218 IonicContact OD2-CZ 2.66Å; D216-R218 IonicContact OD2-NE 2.99Å; D216-R218 PolarHBondContact OD2-NE 3.19Å; D216-R218 IonicContact OD2-NH2 3.78Å; D216-R218 PolarHBondContact OD2-NH2 3.47Å; D216-K219 HydrophobicContact CB-CD 4.33Å; D216-K219 HydrophobicContact CB-CG 4.34Å; D216-K219 WeakPolarHBondContact O-CA 3.29Å; D216-K219 VanDerWaalsContact O-CB 3.31Å; D216-K219 WeakPolarHBondContact O-CB 3.47Å; D216-K219 PolarHBondContact O-N 3.32Å; D216-C220 PolarHBondContact O-N 2.99Å; D216-C220 VanDerWaalsContact O-N 3.12Å
217I84.2Confident77.8Confident115 Ų115102 Ų10259%0.5952%0.522SS*.Hα-helixtrans-54-29.5-178.2-171.558.2000113.4M215 K219 R221M215-I217 PolarHBondContact O-N 3.18Å; I217-K219 VanDerWaalsContact C-N 3.34Å; I217-R221 WeakPolarHBondContact O-CG 3.45Å; I217-R221 PolarHBondContact O-N 2.98Å
218R82.1Confident75.8Confident175 Ų175103.4 Ų103.466%0.6652%0.515SS*.Hα-helixtrans-68.9-33.9176.3-61.5175-72.9-175.6-2.8111.6D216D216-R218 PolarHBondContact O-N 2.89Å; D216-R218 WeakPolarHBondContact OD1-CB 3.47Å; D216-R218 WeakPolarHBondContact OD1-CG 3.37Å; D216-R218 PolarHBondContact OD1-N 2.67Å; D216-R218 IonicContact OD1-NE 3.76Å; D216-R218 PolarHBondContact OD1-NE 3.26Å; D216-R218 VanDerWaalsContact OD1-NE 3.11Å; D216-R218 IonicContact OD2-CZ 2.66Å; D216-R218 IonicContact OD2-NE 2.99Å; D216-R218 PolarHBondContact OD2-NE 3.19Å; D216-R218 IonicContact OD2-NH2 3.78Å; D216-R218 PolarHBondContact OD2-NH2 3.47Å
219K79.2Confident73.7Confident75 Ų75105.4 Ų105.433%0.32651%0.509SS..Hα-helixtrans-73.4-45.4175.1-72-179.9165.6-169.90110.8P21 N22 M215 D216 I217 R221 R222 E223P21-K219 HydrophobicContact CB-CD 4.07Å; P21-K219 HydrophobicContact CB-CG 4.17Å; P21-K219 HydrophobicContact CG-CB 3.61Å; P21-K219 HydrophobicContact CG-CD 3.69Å; P21-K219 HydrophobicContact CG-CG 3.6Å; N22-K219 PolarHBondContact OD1-NZ 3.08Å; M215-K219 HydrophobicContact CE-CB 4.08Å; D216-K219 HydrophobicContact CB-CD 4.33Å; D216-K219 HydrophobicContact CB-CG 4.34Å; D216-K219 WeakPolarHBondContact O-CA 3.29Å; D216-K219 VanDerWaalsContact O-CB 3.31Å; D216-K219 WeakPolarHBondContact O-CB 3.47Å; D216-K219 PolarHBondContact O-N 3.32Å; I217-K219 VanDerWaalsContact C-N 3.34Å; K219-R221 PolarHBondContact O-N 3.28Å; K219-R222 WeakPolarHBondContact O-CB 3.49Å; K219-R222 PolarHBondContact O-N 3.36Å; K219-E223 PolarHBondContact O-N 3.49Å
220C73.1Confident71.8Confident45 Ų45109.7 Ų109.730%0.30452%0.522SS..Hα-helixtrans-58.6-32.6178.2-58.10000113.4M215 D216 R222 E223M215-C220 VanDerWaalsContact CB-SG 3.5Å; D216-C220 PolarHBondContact O-N 2.99Å; D216-C220 VanDerWaalsContact O-N 3.12Å; C220-R222 VanDerWaalsContact C-N 3.3Å; C220-R222 PolarHBondContact O-N 3.34Å; C220-E223 PolarHBondContact O-N 3.44Å
221R66.3Low70Confident188 Ų188108.7 Ų108.771%0.70951%0.508SS*.Hα-helixtrans-67.4-30176.4-75.8-176.7-178.2-1372.5113.3I217 K219I217-R221 WeakPolarHBondContact O-CG 3.45Å; I217-R221 PolarHBondContact O-N 2.98Å; K219-R221 PolarHBondContact O-N 3.28Å
222R65.3Low68.4Low212 Ų212109.5 Ų109.580%0.852%0.516SS*.Hα-helixtrans-78.5-29.9177.7-62.1180-171.7-172.2-0111.7K219 C220 K224K219-R222 WeakPolarHBondContact O-CB 3.49Å; K219-R222 PolarHBondContact O-N 3.36Å; C220-R222 VanDerWaalsContact C-N 3.3Å; C220-R222 PolarHBondContact O-N 3.34Å; R222-K224 PolarHBondContact O-N 2.93Å
223E61Low66.9Low60 Ų60108.9 Ų108.928%0.2851%0.513SS..THydrogen-bonded Turntrans-762.7179.2-71.8-175146.900115.2S20 M215 K219 C220 N225S20-E223 WeakPolarHBondContact CA-OE1 3.22Å; S20-E223 WeakPolarHBondContact CB-OE1 3.46Å; S20-E223 PolarHBondContact OG-OE1 2.84Å; M215-E223 VanDerWaalsContact CE-CD 3.44Å; M215-E223 WeakPolarHBondContact CE-OE1 3.37Å; M215-E223 VanDerWaalsContact CE-OE2 3.3Å; M215-E223 WeakPolarHBondContact CE-OE2 3.46Å; K219-E223 PolarHBondContact O-N 3.49Å; C220-E223 PolarHBondContact O-N 3.44Å; E223-N225 PolarHBondContact O-N 2.93Å
224K52.6Low65.7Low176 Ų176108.1 Ų108.177%0.76550%0.504SS*.  trans-69.968178.8-75.3-170.9174.9-173.40111.7R222R222-K224 PolarHBondContact O-N 2.93Å
225N52.5Low64.1Low75 Ų75103.5 Ų103.540%0.40150%0.495SS..  trans-105.2102.7162.4-146.9-11.5000106.7E223 H227E223-N225 PolarHBondContact O-N 2.93Å; N225-H227 PolarHBondContact O-N 3.33Å
226P46.3Very low62Low117 Ų117107.3 Ų107.376%0.7652%0.521SS*.THydrogen-bonded Turntrans-66.65.5-169.925.7-33.9000115.3
227H46.2Very low59.9Low156 Ų156109 Ų10972%0.72254%0.535SS*.THydrogen-bonded Turntrans-100.9-2.6-174.8-63.8-64.6000114.9N225 V229N225-H227 PolarHBondContact O-N 3.33Å; H227-V229 PolarHBondContact O-N 2.92Å
228R55.4Low57.4Low126 Ų126109.3 Ų109.348%0.47554%0.538SS..  trans-71.9100.2170.7-84.7-176.3168.1-158.3-7.9109.4C123 K230C123-R228 PolarHBondContact SG-NH1 2.98Å; R228-K230 PolarHBondContact O-N 3.09Å
229V49.9Very low55.2Low128 Ų128109 Ų10978%0.77655%0.55SS*.  trans-58.1123.7174.3179.10000109H227 K231H227-V229 PolarHBondContact O-N 2.92Å; V229-K231 PolarHBondContact O-N 2.93Å
230K56.9Low53.2Low140 Ų140108.5 Ų108.561%0.60957%0.566SS**  trans-61.9118.3173.6-64.9-178.5175-174.90109.2R228R228-K230 PolarHBondContact O-N 3.09Å
231K59.6Low51.4Low106 Ų106113.6 Ų113.646%0.46159%0.585SS.*  trans-85.7115.4176.8-66.7-178.4-178.4172.40109.5W124 V229W124-K231 HydrophobicContact CE3-CB 4Å; W124-K231 HydrophobicContact CH2-CB 4.41Å; W124-K231 HydrophobicContact CZ3-CB 3.72Å; V229-K231 PolarHBondContact O-N 2.93Å
232S61Low49.7Very low57 Ų57110 Ų11040%0.39959%0.588SS.*  trans-79.3143168.11690000110.1D130 Y234 G235D130-S232 PolarHBondContact OD1-OG 3.43Å; S232-Y234 PolarHBondContact OG-N 2.89Å; S232-G235 PolarHBondContact OG-N 3.13Å
233V63.4Low48.4Very low15 Ų15108.4 Ų108.49%0.09159%0.59CS.*SBendtrans-72.6-29.6179.4-179.10000111.8W124 P126 F199W124-V233 HydrophobicContact CE3-CG2 4.03Å; W124-V233 HydrophobicContact CZ3-CG2 3.93Å; P126-V233 HydrophobicContact CB-CG2 4.05Å; F199-V233 HydrophobicContact CE1-CG2 3.7Å; F199-V233 HydrophobicContact CZ-CG2 3.61Å
234Y66.5Low47Very low39 Ų39110.5 Ų110.515%0.15361%0.609CS.*SBendtrans-118.516-175.5-55.1-70.9000113.8D130 I133 Y134 E196 W200 S232D130-Y234 HydrophobicContact CB-CD2 3.78Å; D130-Y234 HydrophobicContact CB-CE2 3.88Å; D130-Y234 VanDerWaalsContact O-CE2 3.24Å; D130-Y234 WeakPolarHBondContact O-CE2 3.27Å; I133-Y234 HydrophobicContact CB-CD2 4.32Å; I133-Y234 HydrophobicContact CB-CE2 4.33Å; I133-Y234 HydrophobicContact CD1-CD2 4.19Å; I133-Y234 HydrophobicContact CG2-CD2 4.32Å; I133-Y234 HydrophobicContact CG2-CE2 4.39Å; I133-Y234 HydrophobicContact CG2-CG 4.48Å; Y134-Y234 WeakPolarHBondContact CB-OH 3.22Å; E196-Y234 WeakPolarHBondContact OE1-CE1 3.28Å; E196-Y234 PolarHBondContact OE1-OH 2.86Å; W200-Y234 HydrophobicContact CZ2-CE2 4.21Å; W200-Y234 PolarHBondContact NE1-OH 3.06Å; S232-Y234 PolarHBondContact OG-N 2.89Å
235G54.9Low46Very low47 Ų47106 Ų10649%0.48560%0.6SS.*PPolyproline II helixtrans-60.1140.3175.500000111.9S232S232-G235 PolarHBondContact OG-N 3.13Å
236V40.6Very low45.3Very low135 Ų135108.8 Ų108.882%0.81862%0.622SS**PPolyproline II helixtrans-65.1131.6171.1-173.60000107.7D238V236-D238 PolarHBondContact O-N 3.29Å
237P40Very low44.7Very low101 Ų101109.7 Ų109.766%0.65662%0.619SS**PPolyproline II helixtrans-60.1123.1171.7-14.227.1000108.1D239P237-D239 PolarHBondContact O-N 3.12Å; P237-D239 VanDerWaalsContact O-N 3.09Å
238D33.5Very low44.9Very low123 Ų123109 Ų10966%0.65862%0.616SS**  trans-70.4104.1167.2-170.221.4000107.1V236 G240 Q241V236-D238 PolarHBondContact O-N 3.29Å; D238-G240 PolarHBondContact O-N 3.18Å; D238-Q241 PolarHBondContact O-N 3.38Å
239D35.1Very low44.1Very low168 Ų168110.7 Ų110.790%0.89863%0.633SS**THydrogen-bonded Turntrans-63.78.5-178.6-93.1-22000113.5P237P237-D239 PolarHBondContact O-N 3.12Å; P237-D239 VanDerWaalsContact O-N 3.09Å
240G37.5Very low43.4Very low64 Ų64107.9 Ų107.966%0.6662%0.619SS**THydrogen-bonded Turntrans-94-9.5174.500000115.9D238D238-G240 PolarHBondContact O-N 3.18Å
241Q34.7Very low42.6Very low153 Ų153106 Ų10672%0.71562%0.623SS**SBendtrans-113.498.6178.6-73.6-1771.600110.7D238 Q243D238-Q241 PolarHBondContact O-N 3.38Å; Q241-Q243 PolarHBondContact O-N 2.89Å
242S31Very low41.9Very low111 Ų111107.4 Ų107.478%0.77663%0.632SS**  trans-44.6111.6158.145.80000109P244S242-P244 WeakPolarHBondContact O-CD 3.48Å; S242-P244 VanDerWaalsContact O-N 3.11Å
243Q38.6Very low41.2Very low179 Ų179110.3 Ų110.384%0.83665%0.649SS**  trans-42.1111.9174.9-72.7-81.9-27.400110.7Q241Q241-Q243 PolarHBondContact O-N 2.89Å
244P31.3Very low40.8Very low104 Ų104114.6 Ų114.668%0.67568%0.68SS**  trans-83.9121.3152.211.68.4000106.2S242S242-P244 WeakPolarHBondContact O-CD 3.48Å; S242-P244 VanDerWaalsContact O-N 3.11Å
245S31.4Very low40.9Very low82 Ų82122.3 Ų122.357%0.57371%0.709SS**  trans-40.2145.4152.9-56.50000109I247S245-I247 PolarHBondContact O-N 2.76Å
246P36.6Very low42.2Very low134 Ų134128.9 Ų128.987%0.8772%0.724SS**SBendtrans-73.962.9178.332.4-34.2000109.9
247I34.8Very low44.1Very low135 Ų135127 Ų12769%0.69272%0.715SS**  trans-9792.3162.7-58.2169.5000104.4S245 I249S245-I247 PolarHBondContact O-N 2.76Å; I247-I249 PolarHBondContact O-N 3.25Å
248H49.7Very low46.6Very low141 Ų141124.2 Ų124.265%0.65370%0.695SS**  trans43.379.7140.3-121.4-62000116.8A14A14-H248 VanDerWaalsContact CB-CE1 3.43Å; A14-H248 WeakPolarHBondContact CB-CE1 3.43Å; A14-H248 WeakPolarHBondContact CB-NE2 3.42Å
249I38.3Very low49.4Very low162 Ų162127.3 Ų127.383%0.83170%0.703SS**  trans-138.973.8156.3-45.9175.9000109.5I247I247-I249 PolarHBondContact O-N 3.25Å
250S36.4Very low52.3Low69 Ų69125.9 Ų125.948%0.48369%0.691SS.*  trans-13285.8147.2177.90000105.3E18E18-S250 PolarHBondContact OE2-OG 3.02Å
251S39.8Very low54.9Low101 Ų101125.9 Ų125.971%0.70668%0.676SS**  trans-96.792.1161.946.10000106
252Q45.5Very low57.7Low136 Ų136121.6 Ų121.664%0.63666%0.66SS**  trans-54.9130.2152.4-72.9-150.81.400106.5S254Q252-S254 PolarHBondContact O-N 2.8Å
253P45.6Very low60.8Low117 Ų117121.4 Ų121.476%0.7665%0.647SS**  trans-60.1117.4177.422.7-29.6000106.9R255P253-R255 PolarHBondContact O-N 3.48Å
254S54Low63.5Low106 Ų106119.4 Ų119.474%0.74164%0.635SS**  trans-46.6114.6170.349.10000107Q252 K256Q252-S254 PolarHBondContact O-N 2.8Å; S254-K256 PolarHBondContact O-N 2.95Å
255R70.6Confident66.6Low201 Ų201119.9 Ų119.976%0.75863%0.629SS**PPolyproline II helixtrans-58.1117.5-178.8177.6179.8167.8171.1-4.5105.7P253P253-R255 PolarHBondContact O-N 3.48Å
256K80.9Confident69.6Low184 Ų184119.5 Ų119.580%0.862%0.619SS**PPolyproline II helixtrans-54.8127.2177.1-70.3-175.1178.2-1790107.7S254 T258S254-K256 PolarHBondContact O-N 2.95Å; K256-T258 PolarHBondContact O-N 3.28Å
257P81.6Confident72.5Confident97 Ų97116.4 Ų116.463%0.6360%0.598SS**PPolyproline II helixtrans-57.3133.8-176.622.3-32.3000109.1D261 V262P257-D261 HydrophobicContact CB-CB 4.43Å; P257-V262 HydrophobicContact CB-CG2 4.37Å
258T91.8Very high75.5Confident41 Ų41115.7 Ų115.725%0.25259%0.59SS.*PPolyproline II helixtrans-76.8163.4176.669.40000109.9K256 E260 D261 V262K256-T258 PolarHBondContact O-N 3.28Å; T258-E260 PolarHBondContact O-N 3.47Å; T258-D261 WeakPolarHBondContact CB-OD2 3.33Å; T258-D261 PolarHBondContact N-OD2 3.3Å; T258-D261 PolarHBondContact O-N 2.91Å; T258-D261 VanDerWaalsContact O-N 3.1Å; T258-D261 PolarHBondContact OG1-N 3.41Å; T258-D261 PolarHBondContact OG1-OD2 2.97Å; T258-V262 PolarHBondContact O-N 3.03Å; T258-V262 VanDerWaalsContact O-N 3.14Å
259K93.1Very high77.7Confident188 Ų188113 Ų11382%0.81758%0.58SS**Hα-helixtrans-55.3-35.7172.9-176.7-177.7175.9-175.10112.1Q263K259-Q263 WeakPolarHBondContact O-CB 3.46Å; K259-Q263 PolarHBondContact O-N 3.43Å
260E94.3Very high80.5Confident139 Ų139109.2 Ų109.265%0.6556%0.562SS**Hα-helixtrans-67.9-38.2177.9-68.4172.4-167.300112.2T258 Q263 K264T258-E260 PolarHBondContact O-N 3.47Å; E260-Q263 PolarHBondContact O-N 2.95Å; E260-K264 WeakPolarHBondContact O-CG 3.47Å; E260-K264 PolarHBondContact O-N 3.44Å
261D92.9Very high83.4Confident64 Ų64110.4 Ų110.434%0.34256%0.562SS.*Hα-helixtrans-64.2-46.2177.2-57.9-42.2000110.5P257 T258 Q263 K264 E265P257-D261 HydrophobicContact CB-CB 4.43Å; T258-D261 WeakPolarHBondContact CB-OD2 3.33Å; T258-D261 PolarHBondContact N-OD2 3.3Å; T258-D261 PolarHBondContact O-N 2.91Å; T258-D261 VanDerWaalsContact O-N 3.1Å; T258-D261 PolarHBondContact OG1-N 3.41Å; T258-D261 PolarHBondContact OG1-OD2 2.97Å; D261-Q263 VanDerWaalsContact C-N 3.31Å; D261-Q263 PolarHBondContact O-N 3.2Å; D261-K264 PolarHBondContact O-N 3.16Å; D261-E265 PolarHBondContact O-N 3.39Å
262V94.1Very high86.1Confident63 Ų63108.8 Ų108.838%0.38254%0.543SS..Hα-helixtrans-61.2-40.7175.7178.20000111P257 T258 K264 E265 I266P257-V262 HydrophobicContact CB-CG2 4.37Å; T258-V262 PolarHBondContact O-N 3.03Å; T258-V262 VanDerWaalsContact O-N 3.14Å; V262-K264 PolarHBondContact O-N 2.91Å; V262-E265 PolarHBondContact O-N 3.24Å; V262-I266 HydrophobicContact CG1-CD1 4Å; V262-I266 HydrophobicContact CG1-CG1 4.48Å; V262-I266 VanDerWaalsContact O-CG1 3.31Å; V262-I266 WeakPolarHBondContact O-CG1 3.33Å; V262-I266 PolarHBondContact O-N 3.25Å
263Q96Very high88.4Confident106 Ų106108.9 Ų108.950%0.49555%0.547SS..Hα-helixtrans-64.6-40.7178.3-173.258.865.700112.2K259 E260 D261 I266 T267K259-Q263 WeakPolarHBondContact O-CB 3.46Å; K259-Q263 PolarHBondContact O-N 3.43Å; E260-Q263 PolarHBondContact O-N 2.95Å; D261-Q263 VanDerWaalsContact C-N 3.31Å; D261-Q263 PolarHBondContact O-N 3.2Å; Q263-I266 PolarHBondContact O-N 2.84Å; Q263-T267 PolarHBondContact O-N 3.16Å; Q263-T267 PolarHBondContact O-OG1 3.19Å
264K95.3Very high90.8Very high137 Ų137109.3 Ų109.360%0.59654%0.543SS*.Hα-helixtrans-64.4-40.9174.6-73.2172.4-175.6167.90111.6E260 D261 V262 T267 F268E260-K264 WeakPolarHBondContact O-CG 3.47Å; E260-K264 PolarHBondContact O-N 3.44Å; D261-K264 PolarHBondContact O-N 3.16Å; V262-K264 PolarHBondContact O-N 2.91Å; K264-T267 PolarHBondContact O-N 3.36Å; K264-F268 WeakPolarHBondContact O-CB 3.3Å; K264-F268 PolarHBondContact O-N 2.76Å
265E94.8Very high92.8Very high114 Ų114111.7 Ų111.753%0.53354%0.536SS..Hα-helixtrans-62.1-45.5176.4-173.2176.7-169.500111.4D261 V262 T267 F268 L269D261-E265 PolarHBondContact O-N 3.39Å; V262-E265 PolarHBondContact O-N 3.24Å; E265-T267 PolarHBondContact O-N 2.74Å; E265-F268 WeakPolarHBondContact O-CB 3.18Å; E265-F268 PolarHBondContact O-N 3.1Å; E265-L269 HydrophobicContact CG-CD1 4.05Å; E265-L269 HydrophobicContact CG-CG 4.41Å; E265-L269 WeakPolarHBondContact O-CB 3.46Å; E265-L269 VanDerWaalsContact O-CG 3.3Å; E265-L269 WeakPolarHBondContact O-CG 3.36Å; E265-L269 PolarHBondContact O-N 3.24Å
266I96.5Very high93.9Very high74 Ų74111.4 Ų111.438%0.37954%0.542SS..Hα-helixtrans-58.3-48.3174.8-69.2166.1000110.8V262 Q263 F268 L269 N270V262-I266 HydrophobicContact CG1-CD1 4Å; V262-I266 HydrophobicContact CG1-CG1 4.48Å; V262-I266 VanDerWaalsContact O-CG1 3.31Å; V262-I266 WeakPolarHBondContact O-CG1 3.33Å; V262-I266 PolarHBondContact O-N 3.25Å; Q263-I266 PolarHBondContact O-N 2.84Å; I266-F268 VanDerWaalsContact C-N 3.32Å; I266-F268 PolarHBondContact O-N 2.95Å; I266-L269 PolarHBondContact O-N 3.35Å; I266-N270 WeakPolarHBondContact O-CB 2.9Å; I266-N270 VanDerWaalsContact O-CG 3.3Å; I266-N270 PolarHBondContact O-N 3.5Å; I266-N270 PolarHBondContact O-ND2 3.03Å
267T97.1Very high94.6Very high69 Ų69108.2 Ų108.242%0.42354%0.542SS..Hα-helixtrans-59.8-43.9177.6-63.20000111.4Q263 K264 E265 N270 I271Q263-T267 PolarHBondContact O-N 3.16Å; Q263-T267 PolarHBondContact O-OG1 3.19Å; K264-T267 PolarHBondContact O-N 3.36Å; E265-T267 PolarHBondContact O-N 2.74Å; T267-N270 PolarHBondContact O-N 3.18Å; T267-I271 HydrophobicContact CG2-CD1 4.1Å; T267-I271 VanDerWaalsContact O-CG1 3.31Å; T267-I271 WeakPolarHBondContact O-CG1 3.43Å; T267-I271 PolarHBondContact O-N 2.95Å; T267-I271 VanDerWaalsContact O-N 3.09Å
268F96.2Very high95.2Very high120 Ų120110 Ų11053%0.52654%0.544SS..Hα-helixtrans-61.4-46.9177.1171.2-99.1000112.1K264 E265 I266 I271 Q272K264-F268 WeakPolarHBondContact O-CB 3.3Å; K264-F268 PolarHBondContact O-N 2.76Å; E265-F268 WeakPolarHBondContact O-CB 3.18Å; E265-F268 PolarHBondContact O-N 3.1Å; I266-F268 VanDerWaalsContact C-N 3.32Å; I266-F268 PolarHBondContact O-N 2.95Å; F268-I271 WeakPolarHBondContact O-CB 3.37Å; F268-I271 PolarHBondContact O-N 3.01Å; F268-Q272 HydrophobicContact CD1-CG 4.36Å; F268-Q272 HydrophobicContact CE1-CG 3.88Å; F268-Q272 HydrophobicContact CE2-CG 4.22Å; F268-Q272 HydrophobicContact CZ-CG 3.8Å; F268-Q272 WeakPolarHBondContact O-CG 3.46Å; F268-Q272 PolarHBondContact O-N 2.96Å
269L97.1Very high95.5Very high84 Ų84115.8 Ų115.844%0.4457%0.565SS.*Hα-helixtrans-64.9-41.2179.9-71173.2000111.9E265 I266 I271 Q272 L273E265-L269 HydrophobicContact CG-CD1 4.05Å; E265-L269 HydrophobicContact CG-CG 4.41Å; E265-L269 WeakPolarHBondContact O-CB 3.46Å; E265-L269 VanDerWaalsContact O-CG 3.3Å; E265-L269 WeakPolarHBondContact O-CG 3.36Å; E265-L269 PolarHBondContact O-N 3.24Å; I266-L269 PolarHBondContact O-N 3.35Å; L269-I271 VanDerWaalsContact C-N 3.32Å; L269-I271 PolarHBondContact O-N 3.48Å; L269-Q272 PolarHBondContact O-N 3.21Å; L269-Q272 VanDerWaalsContact O-N 3.08Å; L269-L273 WeakPolarHBondContact O-CG 3.31Å; L269-L273 PolarHBondContact O-N 3.03Å
270N97.3Very high95.7Very high84 Ų84112.7 Ų112.745%0.44956%0.562SS.*Hα-helixtrans-59-45.2174.1-73.6-22.2000111.1I266 T267 Q272 L273 D274I266-N270 WeakPolarHBondContact O-CB 2.9Å; I266-N270 VanDerWaalsContact O-CG 3.3Å; I266-N270 PolarHBondContact O-N 3.5Å; I266-N270 PolarHBondContact O-ND2 3.03Å; T267-N270 PolarHBondContact O-N 3.18Å; N270-Q272 VanDerWaalsContact C-N 3.28Å; N270-Q272 PolarHBondContact O-N 3.07Å; N270-L273 PolarHBondContact O-N 2.93Å; N270-L273 VanDerWaalsContact O-N 3.16Å; N270-D274 PolarHBondContact O-N 2.83Å; N270-D274 VanDerWaalsContact O-N 3.13Å
271I96.2Very high95.9Very high94 Ų94109.2 Ų109.248%0.48255%0.553SS.*Hα-helixtrans-59.9-38.9174.5-67.9165.4000111.2T267 F268 L269 D274 R275T267-I271 HydrophobicContact CG2-CD1 4.1Å; T267-I271 VanDerWaalsContact O-CG1 3.31Å; T267-I271 WeakPolarHBondContact O-CG1 3.43Å; T267-I271 PolarHBondContact O-N 2.95Å; T267-I271 VanDerWaalsContact O-N 3.09Å; F268-I271 WeakPolarHBondContact O-CB 3.37Å; F268-I271 PolarHBondContact O-N 3.01Å; L269-I271 VanDerWaalsContact C-N 3.32Å; L269-I271 PolarHBondContact O-N 3.48Å; I271-D274 PolarHBondContact O-N 3.18Å; I271-R275 WeakPolarHBondContact O-CG 3.48Å
272Q96.3Very high96.2Very high66 Ų66112.1 Ų112.131%0.30856%0.563SS.*Hα-helixtrans-67.8-36.3177.1-64.6-45.3-60.200112.8F268 L269 N270 D274 R275F268-Q272 HydrophobicContact CD1-CG 4.36Å; F268-Q272 HydrophobicContact CE1-CG 3.88Å; F268-Q272 HydrophobicContact CE2-CG 4.22Å; F268-Q272 HydrophobicContact CZ-CG 3.8Å; F268-Q272 WeakPolarHBondContact O-CG 3.46Å; F268-Q272 PolarHBondContact O-N 2.96Å; L269-Q272 PolarHBondContact O-N 3.21Å; L269-Q272 VanDerWaalsContact O-N 3.08Å; N270-Q272 VanDerWaalsContact C-N 3.28Å; N270-Q272 PolarHBondContact O-N 3.07Å; Q272-D274 VanDerWaalsContact C-N 3.31Å; Q272-D274 PolarHBondContact O-N 3.32Å; Q272-R275 WeakPolarHBondContact O-CB 3.34Å; Q272-R275 PolarHBondContact O-N 3.3Å; Q272-R275 VanDerWaalsContact OE1-CD 3.23Å
273L95.4Very high96.4Very high138 Ų138112 Ų11272%0.72356%0.562SS**Hα-helixtrans-66.2-33.6177.4-71.8172.5000112.3L269 N270 R275L269-L273 WeakPolarHBondContact O-CG 3.31Å; L269-L273 PolarHBondContact O-N 3.03Å; N270-L273 PolarHBondContact O-N 2.93Å; N270-L273 VanDerWaalsContact O-N 3.16Å; L273-R275 PolarHBondContact O-N 2.9Å
274D96.1Very high96.5Very high126 Ų126108.9 Ų108.967%0.67456%0.555SS**THydrogen-bonded Turntrans-73.3-13.7178.3-68.2-23.2000113N270 I271 Q272 H276N270-D274 PolarHBondContact O-N 2.83Å; N270-D274 VanDerWaalsContact O-N 3.13Å; I271-D274 PolarHBondContact O-N 3.18Å; Q272-D274 VanDerWaalsContact C-N 3.31Å; Q272-D274 PolarHBondContact O-N 3.32Å; D274-H276 PolarHBondContact O-N 3.32Å
275R94.8Very high96.6Very high156 Ų156106.4 Ų106.459%0.58955%0.548SS*.SBendtrans-70.7122.5179.4-64.4177.278.4-1773.2110.6I271 Q272 L273 C277I271-R275 WeakPolarHBondContact O-CG 3.48Å; Q272-R275 WeakPolarHBondContact O-CB 3.34Å; Q272-R275 PolarHBondContact O-N 3.3Å; Q272-R275 VanDerWaalsContact OE1-CD 3.23Å; L273-R275 PolarHBondContact O-N 2.9Å; R275-C277 PolarHBondContact O-N 3.1Å
276H94.7Very high96.8Very high195 Ų195104.5 Ų104.590%0.90355%0.547SS*.  trans-69.6113.6172.9-64.6-18.7000111D274D274-H276 PolarHBondContact O-N 3.32Å
277C94.4Very high96.9Very high118 Ų118106.2 Ų106.280%0.79756%0.556SS**PPolyproline II helixtrans-98.7144.7177.9-68.70000111.2R275R275-C277 PolarHBondContact O-N 3.1Å
278M95.3Very high96.9Very high134 Ų134108.1 Ų108.166%0.6656%0.562SS**PPolyproline II helixtrans-96.3151172.2-66.3179.168.300110.5K282 V283M278-K282 HydrophobicContact CE-CB 4.27Å; M278-V283 HydrophobicContact CB-CG2 3.78Å
279K98Very high97Very high162 Ų162106.5 Ų106.570%0.70456%0.562SS**PPolyproline II helixtrans-62.1138.4172.1-66-173.7178.2-177.40109.8S281 K282 V283K279-S281 PolarHBondContact O-N 2.52Å; K279-K282 HydrophobicContact CB-CG 4.45Å; K279-K282 WeakPolarHBondContact O-CB 3.29Å; K279-K282 PolarHBondContact O-N 3.3Å; K279-V283 PolarHBondContact O-N 3.28Å; K279-V283 VanDerWaalsContact O-N 3.08Å
280V97.9Very high97Very high123 Ų123108.4 Ų108.475%0.74556%0.564SS**Hα-helixtrans-54.5-38.5179.6176.20000112.1K282 V283 A284V280-K282 VanDerWaalsContact C-N 3.34Å; V280-K282 PolarHBondContact O-N 3.31Å; V280-V283 PolarHBondContact O-N 3.2Å; V280-A284 WeakPolarHBondContact O-CB 3.48Å; V280-A284 PolarHBondContact O-N 2.95Å
281S97.9Very high97.1Very high67 Ų67108.8 Ų108.847%0.46957%0.57SS.*Hα-helixtrans-59.1-43175.452.70000112.7K279 A284 D285K279-S281 PolarHBondContact O-N 2.52Å; S281-A284 PolarHBondContact O-N 2.93Å; S281-D285 WeakPolarHBondContact O-CB 3.49Å; S281-D285 PolarHBondContact O-N 3.4Å
282K98.3Very high97.1Very high125 Ų125110.1 Ų110.154%0.54357%0.574SS.*Hα-helixtrans-68.3-35.4176.9-67.7-57.4-173.7-172.60112.9M278 K279 V280 S286M278-K282 HydrophobicContact CE-CB 4.27Å; K279-K282 HydrophobicContact CB-CG 4.45Å; K279-K282 WeakPolarHBondContact O-CB 3.29Å; K279-K282 PolarHBondContact O-N 3.3Å; V280-K282 VanDerWaalsContact C-N 3.34Å; V280-K282 PolarHBondContact O-N 3.31Å; K282-S286 VanDerWaalsContact O-CB 3.31Å; K282-S286 WeakPolarHBondContact O-CB 3.26Å; K282-S286 PolarHBondContact O-N 3.02Å; K282-S286 VanDerWaalsContact O-N 3.1Å
283V98.3Very high97.1Very high59 Ų59110.6 Ų110.636%0.35858%0.576SS.*Hα-helixtrans-65.7-47.8174177.80000110.2M278 K279 V280 S286 L287M278-V283 HydrophobicContact CB-CG2 3.78Å; K279-V283 PolarHBondContact O-N 3.28Å; K279-V283 VanDerWaalsContact O-N 3.08Å; V280-V283 PolarHBondContact O-N 3.2Å; V283-S286 PolarHBondContact O-N 2.98Å; V283-L287 HydrophobicContact CG1-CD1 3.91Å; V283-L287 HydrophobicContact CG1-CG 4.38Å; V283-L287 WeakPolarHBondContact O-CG 3.34Å; V283-L287 PolarHBondContact O-N 3.33Å
284A98.4Very high97.2Very high42 Ų42105.9 Ų105.935%0.34755%0.55SS..Hα-helixtrans-60.4-50.8178.700000111.7V280 S281 S286 L287 M288V280-A284 WeakPolarHBondContact O-CB 3.48Å; V280-A284 PolarHBondContact O-N 2.95Å; S281-A284 PolarHBondContact O-N 2.93Å; A284-S286 VanDerWaalsContact C-N 3.29Å; A284-S286 PolarHBondContact O-N 3.27Å; A284-L287 PolarHBondContact O-N 3.36Å; A284-M288 WeakPolarHBondContact O-CB 3.41Å; A284-M288 WeakPolarHBondContact O-CG 3.41Å; A284-M288 PolarHBondContact O-N 2.9Å
285D98.3Very high97.2Very high84 Ų84104.5 Ų104.545%0.44954%0.541SS..Hα-helixtrans-53.9-47.4176.5-67.6-15.7000110.7S281 L287 M288 T289S281-D285 WeakPolarHBondContact O-CB 3.49Å; S281-D285 PolarHBondContact O-N 3.4Å; D285-L287 PolarHBondContact O-N 2.98Å; D285-M288 PolarHBondContact O-N 2.84Å; D285-T289 WeakPolarHBondContact O-CB 3.38Å; D285-T289 PolarHBondContact O-N 2.95Å; D285-T289 PolarHBondContact O-OG1 3.24Å; D285-T289 VanDerWaalsContact O-OG1 3.08Å
286S97.8Very high97.2Very high75 Ų75101.2 Ų101.252%0.52453%0.532SS..Hα-helixtrans-63.8-41.6-179.8-173.40000113K282 V283 A284 Y290K282-S286 VanDerWaalsContact O-CB 3.31Å; K282-S286 WeakPolarHBondContact O-CB 3.26Å; K282-S286 PolarHBondContact O-N 3.02Å; K282-S286 VanDerWaalsContact O-N 3.1Å; V283-S286 PolarHBondContact O-N 2.98Å; A284-S286 VanDerWaalsContact C-N 3.29Å; A284-S286 PolarHBondContact O-N 3.27Å; S286-Y290 WeakPolarHBondContact O-CB 3.16Å; S286-Y290 PolarHBondContact O-N 3.13Å
287L98.4Very high97.2Very high109 Ų10993.6 Ų93.657%0.57150%0.495SS*.Hα-helixtrans-69.3-39.6179.3-70.9174.1000111.5V283 A284 D285 T291V283-L287 HydrophobicContact CG1-CD1 3.91Å; V283-L287 HydrophobicContact CG1-CG 4.38Å; V283-L287 WeakPolarHBondContact O-CG 3.34Å; V283-L287 PolarHBondContact O-N 3.33Å; A284-L287 PolarHBondContact O-N 3.36Å; D285-L287 PolarHBondContact O-N 2.98Å; L287-T291 WeakPolarHBondContact O-CB 3.48Å; L287-T291 PolarHBondContact O-N 3.3Å; L287-T291 PolarHBondContact O-OG1 3.3Å
288M98.2Very high97.3Very high109 Ų10991 Ų9154%0.53747%0.474SS..Hα-helixtrans-63.9-51.4176.1-71.4178.964.800110.9A284 D285 Y290 T291 E292A284-M288 WeakPolarHBondContact O-CB 3.41Å; A284-M288 WeakPolarHBondContact O-CG 3.41Å; A284-M288 PolarHBondContact O-N 2.9Å; D285-M288 PolarHBondContact O-N 2.84Å; M288-Y290 VanDerWaalsContact C-N 3.31Å; M288-Y290 PolarHBondContact O-N 2.98Å; M288-T291 PolarHBondContact O-N 3.49Å; M288-T291 VanDerWaalsContact O-N 3.1Å; M288-E292 WeakPolarHBondContact O-CG 3.34Å; M288-E292 PolarHBondContact O-N 2.85Å
289T98.1Very high97.3Very high86 Ų8687.6 Ų87.653%0.52846%0.461SS..Hα-helixtrans-59.7-41.3178.2-610000112.1D285 Q293D285-T289 WeakPolarHBondContact O-CB 3.38Å; D285-T289 PolarHBondContact O-N 2.95Å; D285-T289 PolarHBondContact O-OG1 3.24Å; D285-T289 VanDerWaalsContact O-OG1 3.08Å; T289-Q293 VanDerWaalsContact O-CB 3.28Å; T289-Q293 WeakPolarHBondContact O-CB 3.45Å; T289-Q293 PolarHBondContact O-N 3.2Å
290Y97.8Very high97.2Very high124 Ų12489.2 Ų89.249%0.48647%0.469SS..Hα-helixtrans-61.4-46.4174.5-178.1-87.2000111.1S286 M288 Q293 F294S286-Y290 WeakPolarHBondContact O-CB 3.16Å; S286-Y290 PolarHBondContact O-N 3.13Å; M288-Y290 VanDerWaalsContact C-N 3.31Å; M288-Y290 PolarHBondContact O-N 2.98Å; Y290-Q293 PolarHBondContact O-N 3.06Å; Y290-F294 HydrophobicContact CD1-CD2 4.24Å; Y290-F294 HydrophobicContact CD2-CD2 4.12Å; Y290-F294 AromaticContact CD2-CE2 3.88Å; Y290-F294 HydrophobicContact CD2-CE2 3.88Å; Y290-F294 AromaticContact CE1-CD2 3.94Å; Y290-F294 HydrophobicContact CE1-CD2 3.94Å; Y290-F294 HydrophobicContact CE1-CE2 4.26Å; Y290-F294 HydrophobicContact CE1-CG 4.5Å; Y290-F294 AromaticContact CE2-CD2 3.84Å; Y290-F294 HydrophobicContact CE2-CD2 3.84Å; Y290-F294 AromaticContact CE2-CE2 3.37Å; Y290-F294 HydrophobicContact CE2-CE2 3.37Å; Y290-F294 HydrophobicContact CE2-CZ 4.13Å; Y290-F294 HydrophobicContact CG-CD2 4.32Å; Y290-F294 AromaticContact CZ-CD2 3.73Å; Y290-F294 AromaticContact CZ-CE2 3.58Å; Y290-F294 WeakPolarHBondContact O-CD2 3.5Å; Y290-F294 PolarHBondContact O-N 3.38Å; Y290-F294 VanDerWaalsContact O-N 3.16Å
291T98Very high97.2Very high93 Ų9387.9 Ų87.957%0.57146%0.461SS*.Hα-helixtrans-62.3-46.7179.6-55.40000111.4L287 M288 Q293 F294 M295L287-T291 WeakPolarHBondContact O-CB 3.48Å; L287-T291 PolarHBondContact O-N 3.3Å; L287-T291 PolarHBondContact O-OG1 3.3Å; M288-T291 PolarHBondContact O-N 3.49Å; M288-T291 VanDerWaalsContact O-N 3.1Å; T291-Q293 VanDerWaalsContact C-N 3.31Å; T291-Q293 PolarHBondContact O-N 2.92Å; T291-F294 PolarHBondContact O-N 3.21Å; T291-M295 WeakPolarHBondContact O-CB 3.47Å; T291-M295 PolarHBondContact O-N 3.34Å
292E96.9Very high96.9Very high121 Ų12186.3 Ų86.357%0.56545%0.45SS*.Hα-helixtrans-59.6-41176.8-72.4171.4-179.600112M288 F294 M295M288-E292 WeakPolarHBondContact O-CG 3.34Å; M288-E292 PolarHBondContact O-N 2.85Å; E292-F294 VanDerWaalsContact C-N 3.3Å; E292-F294 PolarHBondContact O-N 2.98Å; E292-M295 PolarHBondContact O-N 3.44Å
293Q96.9Very high96.6Very high77 Ų7784 Ų8436%0.3646%0.462SS..Hα-helixtrans-62.9-35.9178.3-180174.652.800112.6T289 Y290 T291 F336T289-Q293 VanDerWaalsContact O-CB 3.28Å; T289-Q293 WeakPolarHBondContact O-CB 3.45Å; T289-Q293 PolarHBondContact O-N 3.2Å; Y290-Q293 PolarHBondContact O-N 3.06Å; T291-Q293 VanDerWaalsContact C-N 3.31Å; T291-Q293 PolarHBondContact O-N 2.92Å; Q293-F336 HydrophobicContact CG-CD1 4.01Å; Q293-F336 HydrophobicContact CG-CD2 3.72Å; Q293-F336 HydrophobicContact CG-CE1 3.89Å; Q293-F336 HydrophobicContact CG-CE2 3.58Å; Q293-F336 HydrophobicContact CG-CG 3.92Å; Q293-F336 HydrophobicContact CG-CZ 3.65Å; Q293-F336 VanDerWaalsContact NE2-CD1 3.29Å; Q293-F336 WeakPolarHBondContact O-CE2 3.21Å
294F96.9Very high96.2Very high38 Ų3882.5 Ų82.517%0.16745%0.453CS..Hα-helixtrans-96.2-7.3-178.3-77.3-91.9000114.4Y290 T291 E292 E296 Y297 D298 F336 E340Y290-F294 HydrophobicContact CD1-CD2 4.24Å; Y290-F294 HydrophobicContact CD2-CD2 4.12Å; Y290-F294 AromaticContact CD2-CE2 3.88Å; Y290-F294 HydrophobicContact CD2-CE2 3.88Å; Y290-F294 AromaticContact CE1-CD2 3.94Å; Y290-F294 HydrophobicContact CE1-CD2 3.94Å; Y290-F294 HydrophobicContact CE1-CE2 4.26Å; Y290-F294 HydrophobicContact CE1-CG 4.5Å; Y290-F294 AromaticContact CE2-CD2 3.84Å; Y290-F294 HydrophobicContact CE2-CD2 3.84Å; Y290-F294 AromaticContact CE2-CE2 3.37Å; Y290-F294 HydrophobicContact CE2-CE2 3.37Å; Y290-F294 HydrophobicContact CE2-CZ 4.13Å; Y290-F294 HydrophobicContact CG-CD2 4.32Å; Y290-F294 AromaticContact CZ-CD2 3.73Å; Y290-F294 AromaticContact CZ-CE2 3.58Å; Y290-F294 WeakPolarHBondContact O-CD2 3.5Å; Y290-F294 PolarHBondContact O-N 3.38Å; Y290-F294 VanDerWaalsContact O-N 3.16Å; T291-F294 PolarHBondContact O-N 3.21Å; E292-F294 VanDerWaalsContact C-N 3.3Å; E292-F294 PolarHBondContact O-N 2.98Å; F294-E296 VanDerWaalsContact C-N 3.3Å; F294-E296 PolarHBondContact O-N 3.19Å; F294-Y297 WeakPolarHBondContact O-CA 3.47Å; F294-Y297 WeakPolarHBondContact O-CB 3.32Å; F294-Y297 PolarHBondContact O-N 2.93Å; F294-D298 PolarHBondContact O-N 2.95Å; F294-F336 HydrophobicContact CD1-CD2 4.48Å; F294-F336 HydrophobicContact CD1-CE2 4.49Å; F294-F336 HydrophobicContact CD2-CD2 4.47Å; F294-F336 AromaticContact CE1-CD2 3.94Å; F294-F336 HydrophobicContact CE1-CD2 3.94Å; F294-F336 HydrophobicContact CE1-CE2 4.36Å; F294-F336 AromaticContact CE2-CD2 3.92Å; F294-F336 HydrophobicContact CE2-CD2 3.92Å; F294-F336 HydrophobicContact CZ-CB 4.48Å; F294-F336 AromaticContact CZ-CD2 3.64Å; F294-F336 HydrophobicContact CZ-CD2 3.64Å; F294-F336 HydrophobicContact CZ-CE2 4.4Å; F294-E340 HydrophobicContact CE1-CG 4.44Å; F294-E340 HydrophobicContact CZ-CG 4Å
295M96.4Very high95.8Very high97 Ų9785.6 Ų85.648%0.47846%0.46SS..G310 helixtrans-56.7-37.9-176.4-175.7175.760.200113.9T291 E292 Y297 D298 V301 S302T291-M295 WeakPolarHBondContact O-CB 3.47Å; T291-M295 PolarHBondContact O-N 3.34Å; E292-M295 PolarHBondContact O-N 3.44Å; M295-Y297 PolarHBondContact O-N 3.16Å; M295-D298 PolarHBondContact O-N 3.42Å; M295-V301 HydrophobicContact CG-CG1 3.85Å; M295-V301 HydrophobicContact SD-CG1 4.34Å; M295-S302 PolarHBondContact O-OG 3.18Å
296E94.3Very high95.5Very high87 Ų8785.2 Ų85.241%0.40746%0.462SS..G310 helixtrans-62.7-19.8176.1-163.4-173.1167.300112.4F294 S302 Q329 K332F294-E296 VanDerWaalsContact C-N 3.3Å; F294-E296 PolarHBondContact O-N 3.19Å; E296-S302 WeakPolarHBondContact CA-OG 3.47Å; E296-Q329 PolarHBondContact OE1-NE2 2.71Å; E296-K332 IonicContact OE2-NZ 3.74Å; E296-K332 PolarHBondContact OE2-NZ 2.89Å
297Y94.8Very high95.4Very high35 Ų3583.1 Ų83.114%0.13745%0.448CS..G310 helixtrans-107.22.4-176.5-52.4-81.5000113.7F294 M295 P299 Q329 K332 K333 F336F294-Y297 WeakPolarHBondContact O-CA 3.47Å; F294-Y297 WeakPolarHBondContact O-CB 3.32Å; F294-Y297 PolarHBondContact O-N 2.93Å; M295-Y297 PolarHBondContact O-N 3.16Å; Y297-P299 WeakPolarHBondContact O-CD 3.36Å; Y297-Q329 HydrophobicContact CE1-CB 4Å; Y297-Q329 WeakPolarHBondContact CE1-O 3.21Å; Y297-Q329 PolarHBondContact OH-O 3.41Å; Y297-K332 WeakPolarHBondContact OH-CD 3.43Å; Y297-K332 WeakPolarHBondContact OH-CG 3.46Å; Y297-K333 HydrophobicContact CD1-CD 4.05Å; Y297-K333 HydrophobicContact CD1-CG 3.98Å; Y297-K333 HydrophobicContact CD2-CG 4.38Å; Y297-K333 HydrophobicContact CE1-CD 4.05Å; Y297-K333 HydrophobicContact CE1-CG 3.51Å; Y297-K333 HydrophobicContact CE2-CG 4.04Å; Y297-K333 HydrophobicContact CG-CD 4.37Å; Y297-K333 HydrophobicContact CG-CG 4.32Å; Y297-F336 HydrophobicContact CD2-CE2 4.16Å; Y297-F336 AromaticContact CE2-CE2 3.42Å; Y297-F336 HydrophobicContact CE2-CE2 3.42Å; Y297-F336 VanDerWaalsContact CE2-CE2 3.42Å; Y297-F336 AromaticContact CE2-CZ 3.56Å; Y297-F336 HydrophobicContact CE2-CZ 3.56Å
298D96.7Very high95.3Very high65 Ų6579.5 Ų79.535%0.34843%0.429SS..  trans-85.8112.5174.3-170.1-30.9000109.7F294 M295 F300 V301 S302F294-D298 PolarHBondContact O-N 2.95Å; M295-D298 PolarHBondContact O-N 3.42Å; D298-F300 PolarHBondContact O-N 3.32Å; D298-F300 VanDerWaalsContact O-N 3.13Å; D298-F300 WeakPolarHBondContact OD1-CB 3.24Å; D298-F300 WeakPolarHBondContact OD1-CD2 3.48Å; D298-F300 PolarHBondContact OD1-N 3.47Å; D298-V301 HydrophobicContact CB-CB 4.3Å; D298-V301 HydrophobicContact CB-CG2 4.29Å; D298-V301 PolarHBondContact O-N 2.92Å; D298-V301 VanDerWaalsContact O-N 3.12Å; D298-S302 PolarHBondContact O-N 3.08Å
299P95.3Very high95.2Very high61 Ų6174.7 Ų74.740%0.39641%0.406SS..THydrogen-bonded Turntrans-64.5-14.4-179.1-23.236.6000115.1Y297 V304Y297-P299 WeakPolarHBondContact O-CD 3.36Å; P299-V304 HydrophobicContact CB-CG2 3.69Å; P299-V304 HydrophobicContact CG-CG2 4.17Å
300F96.6Very high95.2Very high197 Ų19780.2 Ų80.286%0.86442%0.417SS*.THydrogen-bonded Turntrans-85.6-23.8176.6-65.4-73.1000112.7D298D298-F300 PolarHBondContact O-N 3.32Å; D298-F300 VanDerWaalsContact O-N 3.13Å; D298-F300 WeakPolarHBondContact OD1-CB 3.24Å; D298-F300 WeakPolarHBondContact OD1-CD2 3.48Å; D298-F300 PolarHBondContact OD1-N 3.47Å
301V95.9Very high95.1Very high94 Ų9481 Ų8157%0.5743%0.428SS*.THydrogen-bonded Turntrans-106.4-43-176.4-176.80000111.1M295 D298M295-V301 HydrophobicContact CG-CG1 3.85Å; M295-V301 HydrophobicContact SD-CG1 4.34Å; D298-V301 HydrophobicContact CB-CB 4.3Å; D298-V301 HydrophobicContact CB-CG2 4.29Å; D298-V301 PolarHBondContact O-N 2.92Å; D298-V301 VanDerWaalsContact O-N 3.12Å
302S93.4Very high95Very high34 Ų3479 Ų7924%0.23842%0.418CS..SBendtrans-109.3146.6-176.2-63.40000111.3M295 E296 D298M295-S302 PolarHBondContact O-OG 3.18Å; E296-S302 WeakPolarHBondContact CA-OG 3.47Å; D298-S302 PolarHBondContact O-N 3.08Å
303G90.5Very high95Very high78 Ų7880.5 Ų80.580%0.80443%0.43SS*.PPolyproline II helixtrans-64.7136.7174.100000111.5
304V91.6Very high95Very high27 Ų2779.7 Ų79.716%0.16443%0.428CS..PPolyproline II helixtrans-94.2131.6176.5-179.50000109.6P299 P306 S307 F317P299-V304 HydrophobicContact CB-CG2 3.69Å; P299-V304 HydrophobicContact CG-CG2 4.17Å; V304-P306 CarbonylContact O-C 3.43Å; V304-P306 VanDerWaalsContact O-C 3.28Å; V304-S307 VanDerWaalsContact O-CA 3.24Å; V304-S307 WeakPolarHBondContact O-CA 3.43Å; V304-S307 PolarHBondContact O-N 2.86Å; V304-F317 HydrophobicContact CG1-CB 4.31Å; V304-F317 HydrophobicContact CG1-CD1 3.77Å; V304-F317 HydrophobicContact CG1-CD2 3.28Å; V304-F317 HydrophobicContact CG1-CE1 3.82Å; V304-F317 HydrophobicContact CG1-CE2 3.34Å; V304-F317 HydrophobicContact CG1-CG 3.49Å; V304-F317 VanDerWaalsContact CG1-CG 3.49Å; V304-F317 HydrophobicContact CG1-CZ 3.61Å
305E89.1Confident95Very high107 Ų10779.9 Ų79.950%0.544%0.437SS..SBendtrans-93.5131.7172.1-68.6-171.6174.100110.6F317 R455E305-F317 VanDerWaalsContact O-CD2 3.3Å; E305-F317 WeakPolarHBondContact O-CD2 3.48Å; E305-R455 IonicContact OE2-NH2 3.69Å; E305-R455 PolarHBondContact OE2-NH2 3.4Å; E305-R455 VanDerWaalsContact OE2-NH2 3.13Å
306P91.7Very high95Very high75 Ų7578 Ų7849%0.48743%0.431SS..SBendcis-77.6-30.90.230.4-35000113.7V304 T316V304-P306 CarbonylContact O-C 3.43Å; V304-P306 VanDerWaalsContact O-C 3.28Å; P306-T316 HydrophobicContact CG-CG2 3.98Å
307S95.1Very high95Very high32 Ų3275.8 Ų75.822%0.22442%0.42CS..  trans-162.2164.3175.461.90000110.7V304 P309 S312V304-S307 VanDerWaalsContact O-CA 3.24Å; V304-S307 WeakPolarHBondContact O-CA 3.43Å; V304-S307 PolarHBondContact O-N 2.86Å; S307-P309 WeakPolarHBondContact O-CD 3.42Å; S307-S312 VanDerWaalsContact OG-CB 3.3Å; S307-S312 WeakPolarHBondContact OG-CB 3.4Å; S307-S312 PolarHBondContact OG-OG 3.2Å
308N96.1Very high95.1Very high32 Ų3279.8 Ų79.817%0.17144%0.435CS..  trans-76.6116.4172.3-175.7-26000109.6W310 I311 S312N308-W310 PolarHBondContact O-N 3.35Å; N308-W310 VanDerWaalsContact OD1-CD1 3.29Å; N308-W310 PolarHBondContact OD1-N 3.35Å; N308-W310 VanDerWaalsContact OD1-N 3.12Å; N308-I311 HydrophobicContact CB-CB 4.49Å; N308-I311 HydrophobicContact CB-CD1 4.1Å; N308-I311 HydrophobicContact CB-CG1 4.25Å; N308-I311 PolarHBondContact O-N 2.9Å; N308-S312 PolarHBondContact O-N 3.2Å; N308-S312 VanDerWaalsContact O-N 3.09Å; N308-S312 PolarHBondContact O-OG 3Å; N308-S312 VanDerWaalsContact O-OG 3.06Å
309P97.3Very high95Very high9 Ų982.2 Ų82.26%0.05845%0.448CS..Hα-helixtrans-57.3-27.6-175.1-28.237.2000114.6S307 I311 D313 D314 F317 W318S307-P309 WeakPolarHBondContact O-CD 3.42Å; P309-I311 VanDerWaalsContact C-N 3.25Å; P309-I311 PolarHBondContact O-N 2.97Å; P309-D313 WeakPolarHBondContact O-CA 3.48Å; P309-D313 PolarHBondContact O-N 3.45Å; P309-D314 WeakPolarHBondContact CA-O 3.38Å; P309-D314 VanDerWaalsContact CB-O 3.29Å; P309-D314 WeakPolarHBondContact CB-O 3.34Å; P309-D314 WeakPolarHBondContact CG-O 3.49Å; P309-F317 HydrophobicContact CG-CB 3.93Å; P309-F317 HydrophobicContact CG-CD1 4.2Å; P309-W318 HydrophobicContact CB-CD2 4.13Å; P309-W318 HydrophobicContact CB-CE3 4.35Å; P309-W318 HydrophobicContact CB-CH2 3.98Å; P309-W318 HydrophobicContact CB-CZ2 3.73Å; P309-W318 HydrophobicContact CB-CZ3 4.28Å; P309-W318 HydrophobicContact CG-CD2 4Å; P309-W318 HydrophobicContact CG-CG 4.21Å; P309-W318 HydrophobicContact CG-CZ2 4.17Å
310W96.8Very high94.9Very high201 Ų20183.4 Ų83.476%0.76145%0.449SS*.Hα-helixtrans-73.4-15.4178.4-59108.9000114N308 W318N308-W310 PolarHBondContact O-N 3.35Å; N308-W310 VanDerWaalsContact OD1-CD1 3.29Å; N308-W310 PolarHBondContact OD1-N 3.35Å; N308-W310 VanDerWaalsContact OD1-N 3.12Å; W310-W318 HydrophobicContact CD2-CZ2 4.33Å; W310-W318 AromaticContact CE2-CZ2 3.7Å; W310-W318 HydrophobicContact CH2-CH2 4.24Å; W310-W318 HydrophobicContact CH2-CZ2 4.43Å; W310-W318 HydrophobicContact CZ2-CH2 4.03Å; W310-W318 AromaticContact CZ2-CZ2 3.77Å; W310-W318 HydrophobicContact CZ2-CZ2 3.77Å; W310-W318 AromaticContact NE1-CZ2 3.83Å
311I96.8Very high94.7Very high142 Ų14276.8 Ų76.873%0.72842%0.421SS*.Hα-helixtrans-107-37.6-178.7-57.5177.8000110.4N308 P309N308-I311 HydrophobicContact CB-CB 4.49Å; N308-I311 HydrophobicContact CB-CD1 4.1Å; N308-I311 HydrophobicContact CB-CG1 4.25Å; N308-I311 PolarHBondContact O-N 2.9Å; P309-I311 VanDerWaalsContact C-N 3.25Å; P309-I311 PolarHBondContact O-N 2.97Å
312S96.8Very high94.6Very high51 Ų5176.2 Ų76.236%0.35743%0.426SS..Hα-helixtrans-97.1-11.3-174.858.10000114.5S307 N308 D314S307-S312 VanDerWaalsContact OG-CB 3.3Å; S307-S312 WeakPolarHBondContact OG-CB 3.4Å; S307-S312 PolarHBondContact OG-OG 3.2Å; N308-S312 PolarHBondContact O-N 3.2Å; N308-S312 VanDerWaalsContact O-N 3.09Å; N308-S312 PolarHBondContact O-OG 3Å; N308-S312 VanDerWaalsContact O-OG 3.06Å; S312-D314 PolarHBondContact O-N 3.12Å; S312-D314 PolarHBondContact OG-N 2.99Å
313D96.6Very high94.5Very high152 Ų15276.7 Ų76.781%0.81343%0.429SS*.  trans54.823.5-168.2-62.7-35.7000113.5P309P309-D313 WeakPolarHBondContact O-CA 3.48Å; P309-D313 PolarHBondContact O-N 3.45Å
314D96.6Very high94.4Very high60 Ų6083.8 Ų83.832%0.32143%0.432SS..  trans-107.2111.5176.6177.911.5000110.9P309 S312 T316P309-D314 WeakPolarHBondContact CA-O 3.38Å; P309-D314 VanDerWaalsContact CB-O 3.29Å; P309-D314 WeakPolarHBondContact CB-O 3.34Å; P309-D314 WeakPolarHBondContact CG-O 3.49Å; S312-D314 PolarHBondContact O-N 3.12Å; S312-D314 PolarHBondContact OG-N 2.99Å; D314-T316 PolarHBondContact O-N 3.25Å; D314-T316 WeakPolarHBondContact OD1-CB 3.46Å; D314-T316 PolarHBondContact OD1-N 2.91Å; D314-T316 PolarHBondContact OD1-OG1 3.39Å; D314-T316 PolarHBondContact OD2-OG1 2.83Å
315A97.3Very high94.3Very high42 Ų4289 Ų8935%0.34746%0.459SS..THydrogen-bonded Turntrans-77.2-1.1-178.900000114.4F317 W318 D319A315-F317 PolarHBondContact O-N 3.21Å; A315-F317 VanDerWaalsContact O-N 3.1Å; A315-W318 HydrophobicContact CB-CE3 4.02Å; A315-W318 WeakPolarHBondContact O-CB 3.38Å; A315-W318 PolarHBondContact O-N 3.01Å; A315-D319 PolarHBondContact O-N 3.16Å
316T96.3Very high94.4Very high57 Ų5785.1 Ų85.135%0.3544%0.443SS..Hα-helixtrans-52.3-38.3-175.8-61.90000113P306 D314 W318 D319 M320P306-T316 HydrophobicContact CG-CG2 3.98Å; D314-T316 PolarHBondContact O-N 3.25Å; D314-T316 WeakPolarHBondContact OD1-CB 3.46Å; D314-T316 PolarHBondContact OD1-N 2.91Å; D314-T316 PolarHBondContact OD1-OG1 3.39Å; D314-T316 PolarHBondContact OD2-OG1 2.83Å; T316-W318 PolarHBondContact O-N 3.32Å; T316-D319 PolarHBondContact O-N 3.33Å; T316-M320 HydrophobicContact CG2-CG 4.35Å; T316-M320 HydrophobicContact CG2-SD 4.05Å; T316-M320 VanDerWaalsContact O-CG 3.29Å; T316-M320 WeakPolarHBondContact O-CG 3.37Å; T316-M320 PolarHBondContact O-N 2.9Å
317F94.6Very high94.4Very high41 Ų4183 Ų8318%0.1843%0.43CS..Hα-helixtrans-59.9-42.7176.5173.6-110.9000112.7V304 E305 P309 A315 M320 E321V304-F317 HydrophobicContact CG1-CB 4.31Å; V304-F317 HydrophobicContact CG1-CD1 3.77Å; V304-F317 HydrophobicContact CG1-CD2 3.28Å; V304-F317 HydrophobicContact CG1-CE1 3.82Å; V304-F317 HydrophobicContact CG1-CE2 3.34Å; V304-F317 HydrophobicContact CG1-CG 3.49Å; V304-F317 VanDerWaalsContact CG1-CG 3.49Å; V304-F317 HydrophobicContact CG1-CZ 3.61Å; E305-F317 VanDerWaalsContact O-CD2 3.3Å; E305-F317 WeakPolarHBondContact O-CD2 3.48Å; P309-F317 HydrophobicContact CG-CB 3.93Å; P309-F317 HydrophobicContact CG-CD1 4.2Å; A315-F317 PolarHBondContact O-N 3.21Å; A315-F317 VanDerWaalsContact O-N 3.1Å; F317-M320 PolarHBondContact O-N 3.41Å; F317-E321 HydrophobicContact CD2-CG 4.26Å; F317-E321 HydrophobicContact CE1-CG 4.09Å; F317-E321 HydrophobicContact CE2-CG 3.69Å; F317-E321 HydrophobicContact CZ-CG 3.6Å; F317-E321 PolarHBondContact O-N 3.08Å
318W95.9Very high94.3Very high118 Ų11885.2 Ų85.245%0.44744%0.437SS..Hα-helixtrans-66.8-39.9178.2-65.8-26.6000111.9P309 W310 A315 T316 M320 E321 A322P309-W318 HydrophobicContact CB-CD2 4.13Å; P309-W318 HydrophobicContact CB-CE3 4.35Å; P309-W318 HydrophobicContact CB-CH2 3.98Å; P309-W318 HydrophobicContact CB-CZ2 3.73Å; P309-W318 HydrophobicContact CB-CZ3 4.28Å; P309-W318 HydrophobicContact CG-CD2 4Å; P309-W318 HydrophobicContact CG-CG 4.21Å; P309-W318 HydrophobicContact CG-CZ2 4.17Å; W310-W318 HydrophobicContact CD2-CZ2 4.33Å; W310-W318 AromaticContact CE2-CZ2 3.7Å; W310-W318 HydrophobicContact CH2-CH2 4.24Å; W310-W318 HydrophobicContact CH2-CZ2 4.43Å; W310-W318 HydrophobicContact CZ2-CH2 4.03Å; W310-W318 AromaticContact CZ2-CZ2 3.77Å; W310-W318 HydrophobicContact CZ2-CZ2 3.77Å; W310-W318 AromaticContact NE1-CZ2 3.83Å; A315-W318 HydrophobicContact CB-CE3 4.02Å; A315-W318 WeakPolarHBondContact O-CB 3.38Å; A315-W318 PolarHBondContact O-N 3.01Å; T316-W318 PolarHBondContact O-N 3.32Å; W318-M320 VanDerWaalsContact C-N 3.3Å; W318-M320 PolarHBondContact O-N 2.94Å; W318-E321 PolarHBondContact O-N 3.35Å; W318-A322 WeakPolarHBondContact O-CB 3.33Å; W318-A322 PolarHBondContact O-N 2.89Å
319D95.2Very high94.1Very high116 Ų11686.7 Ų86.762%0.6244%0.443SS*.Hα-helixtrans-62.6-40175.8-68.6-27.1000111.2A315 T316 A322 S323A315-D319 PolarHBondContact O-N 3.16Å; T316-D319 PolarHBondContact O-N 3.33Å; D319-A322 PolarHBondContact O-N 3.15Å; D319-S323 PolarHBondContact O-N 2.85Å
320M92.3Very high93.9Very high86 Ų8687.3 Ų87.342%0.42444%0.444SS..Hα-helixtrans-64.5-43.9174.5-71.417764.900112.3T316 F317 W318 A322 S323T316-M320 HydrophobicContact CG2-CG 4.35Å; T316-M320 HydrophobicContact CG2-SD 4.05Å; T316-M320 VanDerWaalsContact O-CG 3.29Å; T316-M320 WeakPolarHBondContact O-CG 3.37Å; T316-M320 PolarHBondContact O-N 2.9Å; F317-M320 PolarHBondContact O-N 3.41Å; W318-M320 VanDerWaalsContact C-N 3.3Å; W318-M320 PolarHBondContact O-N 2.94Å; M320-A322 VanDerWaalsContact C-N 3.32Å; M320-A322 PolarHBondContact O-N 3.18Å; M320-S323 WeakPolarHBondContact O-CB 3.48Å; M320-S323 PolarHBondContact O-N 3.24Å
321E92.5Very high93.9Very high58 Ų5877.8 Ų77.827%0.27141%0.408SS..Hα-helixtrans-68.8-29177.3-74-66.1108.800112.6F317 W318 R330F317-E321 HydrophobicContact CD2-CG 4.26Å; F317-E321 HydrophobicContact CE1-CG 4.09Å; F317-E321 HydrophobicContact CE2-CG 3.69Å; F317-E321 HydrophobicContact CZ-CG 3.6Å; F317-E321 PolarHBondContact O-N 3.08Å; W318-E321 PolarHBondContact O-N 3.35Å; E321-R330 PolarHBondContact O-NH1 2.68Å
322A93.6Very high93.9Very high83 Ų8375 Ų7569%0.68639%0.391SS*.Hα-helixtrans-80.7-15.1174.900000113.7W318 D319 M320W318-A322 WeakPolarHBondContact O-CB 3.33Å; W318-A322 PolarHBondContact O-N 2.89Å; D319-A322 PolarHBondContact O-N 3.15Å; M320-A322 VanDerWaalsContact C-N 3.32Å; M320-A322 PolarHBondContact O-N 3.18Å
323S91.9Very high93.8Very high43 Ų4374.9 Ų74.930%0.30138%0.384SS..  trans-57.1149.8-178.3-175.80000112.7D319 M320 D325 R330D319-S323 PolarHBondContact O-N 2.85Å; M320-S323 WeakPolarHBondContact O-CB 3.48Å; M320-S323 PolarHBondContact O-N 3.24Å; S323-D325 VanDerWaalsContact C-N 3.27Å; S323-D325 PolarHBondContact OG-N 2.88Å; S323-D325 VanDerWaalsContact OG-N 3.08Å; S323-D325 PolarHBondContact OG-O 3.49Å; S323-R330 PolarHBondContact O-NH1 2.85Å
324R88.1Confident93.9Very high227 Ų22767.8 Ų67.886%0.85735%0.345SS*.SBendtrans-76.3-18169.3-68.7-169.5177.2-154.7-1.1112.8P326R324-P326 WeakPolarHBondContact O-CD 3.46Å
325D89.8Confident93.9Very high136 Ų13666.1 Ų66.173%0.72734%0.342SS*.SBendtrans-97.895.5175.3-63.8-40.4000108.3S323S323-D325 VanDerWaalsContact C-N 3.27Å; S323-D325 PolarHBondContact OG-N 2.88Å; S323-D325 VanDerWaalsContact OG-N 3.08Å; S323-D325 PolarHBondContact OG-O 3.49Å
326P92.1Very high93.9Very high26 Ų2666.4 Ų66.417%0.16934%0.336CS..  trans-71.2142.4-171.231.4-37.9000111.1R324 R330 V331 W334 A346R324-P326 WeakPolarHBondContact O-CD 3.46Å; P326-R330 HydrophobicContact CB-CB 4.31Å; P326-R330 HydrophobicContact CB-CG 4.16Å; P326-V331 HydrophobicContact CB-CG2 3.87Å; P326-V331 HydrophobicContact CG-CG2 3.63Å; P326-W334 HydrophobicContact CB-CH2 4.16Å; P326-W334 HydrophobicContact CB-CZ2 3.9Å; P326-W334 HydrophobicContact CG-CH2 3.64Å; P326-W334 HydrophobicContact CG-CZ2 3.92Å; P326-A346 HydrophobicContact CG-CB 4.39Å
327S91.9Very high93.9Very high31 Ų3165 Ų6522%0.21733%0.329CS..  trans-64.4158.9171.773.90000111.3Q329 R330 V331S327-Q329 PolarHBondContact O-N 3.04Å; S327-R330 PolarHBondContact O-N 3.13Å; S327-R330 VanDerWaalsContact O-N 3.11Å; S327-R330 WeakPolarHBondContact OG-CB 3.43Å; S327-R330 PolarHBondContact OG-N 3.22Å; S327-R330 VanDerWaalsContact OG-N 3.13Å; S327-V331 WeakPolarHBondContact O-CG2 3.44Å; S327-V331 PolarHBondContact O-N 2.81Å
328Q92.1Very high94.1Very high78 Ų7863.1 Ų63.136%0.36432%0.32SS..Hα-helixtrans-57.2-39.4175.9-174.6-177.335.700112.1V331 K332 L452Q328-V331 PolarHBondContact O-N 2.97Å; Q328-K332 WeakPolarHBondContact O-CB 3.31Å; Q328-K332 PolarHBondContact O-N 3.26Å; Q328-L452 HydrophobicContact CG-CD1 4.36Å; Q328-L452 WeakPolarHBondContact CG-O 3.3Å; Q328-L452 PolarHBondContact NE2-O 2.86Å
329Q91.5Very high94.2Very high64 Ų6460.4 Ų60.430%0.29931%0.313SS..Hα-helixtrans-64-43.1176.8-81.1-176.5-21.500111.4E296 Y297 S327 K332 K333E296-Q329 PolarHBondContact OE1-NE2 2.71Å; Y297-Q329 HydrophobicContact CE1-CB 4Å; Y297-Q329 WeakPolarHBondContact CE1-O 3.21Å; Y297-Q329 PolarHBondContact OH-O 3.41Å; S327-Q329 PolarHBondContact O-N 3.04Å; Q329-K332 PolarHBondContact O-N 3.31Å; Q329-K333 PolarHBondContact O-N 3.3Å
330R94.1Very high94.3Very high22 Ų2256.4 Ų56.48%0.08329%0.29CS..Hα-helixtrans-62.8-43.2175.4-175.9170.6168.4-155.6-3.6112E321 S323 P326 S327 K332 K333 W334 D344E321-R330 PolarHBondContact O-NH1 2.68Å; S323-R330 PolarHBondContact O-NH1 2.85Å; P326-R330 HydrophobicContact CB-CB 4.31Å; P326-R330 HydrophobicContact CB-CG 4.16Å; S327-R330 PolarHBondContact O-N 3.13Å; S327-R330 VanDerWaalsContact O-N 3.11Å; S327-R330 WeakPolarHBondContact OG-CB 3.43Å; S327-R330 PolarHBondContact OG-N 3.22Å; S327-R330 VanDerWaalsContact OG-N 3.13Å; R330-K332 PolarHBondContact O-N 3.46Å; R330-K333 WeakPolarHBondContact O-CB 3.46Å; R330-K333 PolarHBondContact O-N 2.66Å; R330-W334 PolarHBondContact O-NE1 3.09Å; R330-D344 WeakPolarHBondContact CG-OD2 3.37Å; R330-D344 IonicContact CZ-OD1 3.89Å; R330-D344 IonicContact CZ-OD2 2.78Å; R330-D344 IonicContact NE-OD1 3.9Å; R330-D344 IonicContact NE-OD2 3.26Å; R330-D344 PolarHBondContact NE-OD2 3.32Å; R330-D344 IonicContact NH2-OD1 2.97Å; R330-D344 PolarHBondContact NH2-OD1 3.02Å; R330-D344 IonicContact NH2-OD2 2.81Å; R330-D344 PolarHBondContact NH2-OD2 3.45Å
331V96.4Very high94.5Very high1 Ų152.3 Ų52.31%0.00627%0.27CS..Hα-helixtrans-62.9-41.4174.6176.80000111.7P326 S327 Q328 K333 W334 Y448 L451 L452P326-V331 HydrophobicContact CB-CG2 3.87Å; P326-V331 HydrophobicContact CG-CG2 3.63Å; S327-V331 WeakPolarHBondContact O-CG2 3.44Å; S327-V331 PolarHBondContact O-N 2.81Å; Q328-V331 PolarHBondContact O-N 2.97Å; V331-K333 VanDerWaalsContact C-N 3.26Å; V331-K333 PolarHBondContact O-N 3.41Å; V331-W334 HydrophobicContact CB-CE3 4.3Å; V331-W334 HydrophobicContact CB-CZ3 4.43Å; V331-W334 HydrophobicContact CG1-CE3 3.92Å; V331-W334 HydrophobicContact CG1-CZ3 4.15Å; V331-W334 HydrophobicContact CG2-CE3 4.31Å; V331-W334 HydrophobicContact CG2-CH2 4.01Å; V331-W334 HydrophobicContact CG2-CZ2 4.32Å; V331-W334 HydrophobicContact CG2-CZ3 3.97Å; V331-W334 VanDerWaalsContact O-CB 3.28Å; V331-W334 WeakPolarHBondContact O-CB 3.49Å; V331-W334 PolarHBondContact O-N 3.4Å; V331-Y448 HydrophobicContact CG1-CD2 4.16Å; V331-Y448 HydrophobicContact CG1-CE2 3.71Å; V331-Y448 PolarHBondContact O-OH 3.47Å; V331-L451 HydrophobicContact CG1-CB 4.05Å; V331-L451 HydrophobicContact CG2-CB 4.33Å; V331-L452 HydrophobicContact CG1-CB 4.38Å; V331-L452 HydrophobicContact CG1-CD1 4.3Å
332K95.7Very high94.8Very high84 Ų8450 Ų5037%0.36526%0.259SS..Hα-helixtrans-59-35.6178.2-176.7-176.7170.9-165.10112E296 Y297 Q328 Q329 R330 W334 G335 L452E296-K332 IonicContact OE2-NZ 3.74Å; E296-K332 PolarHBondContact OE2-NZ 2.89Å; Y297-K332 WeakPolarHBondContact OH-CD 3.43Å; Y297-K332 WeakPolarHBondContact OH-CG 3.46Å; Q328-K332 WeakPolarHBondContact O-CB 3.31Å; Q328-K332 PolarHBondContact O-N 3.26Å; Q329-K332 PolarHBondContact O-N 3.31Å; R330-K332 PolarHBondContact O-N 3.46Å; K332-W334 VanDerWaalsContact C-N 3.27Å; K332-W334 PolarHBondContact O-N 2.73Å; K332-G335 PolarHBondContact O-N 3.27Å; K332-G335 VanDerWaalsContact O-N 3.14Å; K332-L452 HydrophobicContact CB-CD1 4.06Å
333K96.4Very high94.9Very high48 Ų4852.5 Ų52.521%0.20926%0.255CS..Hα-helixtrans-60-36.1174.4-67.4-179-177.61750112.5Y297 Q329 R330 V331 G335 F336 E340Y297-K333 HydrophobicContact CD1-CD 4.05Å; Y297-K333 HydrophobicContact CD1-CG 3.98Å; Y297-K333 HydrophobicContact CD2-CG 4.38Å; Y297-K333 HydrophobicContact CE1-CD 4.05Å; Y297-K333 HydrophobicContact CE1-CG 3.51Å; Y297-K333 HydrophobicContact CE2-CG 4.04Å; Y297-K333 HydrophobicContact CG-CD 4.37Å; Y297-K333 HydrophobicContact CG-CG 4.32Å; Q329-K333 PolarHBondContact O-N 3.3Å; R330-K333 WeakPolarHBondContact O-CB 3.46Å; R330-K333 PolarHBondContact O-N 2.66Å; V331-K333 VanDerWaalsContact C-N 3.26Å; V331-K333 PolarHBondContact O-N 3.41Å; K333-G335 PolarHBondContact O-N 2.82Å; K333-G335 VanDerWaalsContact O-N 3.14Å; K333-F336 HydrophobicContact CG-CE2 4.48Å; K333-F336 VanDerWaalsContact O-CB 3.32Å; K333-F336 WeakPolarHBondContact O-CB 3.41Å; K333-F336 WeakPolarHBondContact O-CG 3.33Å; K333-F336 PolarHBondContact O-N 3.27Å; K333-E340 WeakPolarHBondContact O-CB 3.35Å
334W97.4Very high95.1Very high2 Ų251.4 Ų51.41%0.00825%0.246CC..Hα-helixtrans-62-23.4179.1-52.5-17.7000112.4P326 R330 V331 K332 F336 A341 D344 A346 Q350 Y439 Y448 L451P326-W334 HydrophobicContact CB-CH2 4.16Å; P326-W334 HydrophobicContact CB-CZ2 3.9Å; P326-W334 HydrophobicContact CG-CH2 3.64Å; P326-W334 HydrophobicContact CG-CZ2 3.92Å; R330-W334 PolarHBondContact O-NE1 3.09Å; V331-W334 HydrophobicContact CB-CE3 4.3Å; V331-W334 HydrophobicContact CB-CZ3 4.43Å; V331-W334 HydrophobicContact CG1-CE3 3.92Å; V331-W334 HydrophobicContact CG1-CZ3 4.15Å; V331-W334 HydrophobicContact CG2-CE3 4.31Å; V331-W334 HydrophobicContact CG2-CH2 4.01Å; V331-W334 HydrophobicContact CG2-CZ2 4.32Å; V331-W334 HydrophobicContact CG2-CZ3 3.97Å; V331-W334 VanDerWaalsContact O-CB 3.28Å; V331-W334 WeakPolarHBondContact O-CB 3.49Å; V331-W334 PolarHBondContact O-N 3.4Å; K332-W334 VanDerWaalsContact C-N 3.27Å; K332-W334 PolarHBondContact O-N 2.73Å; W334-F336 VanDerWaalsContact C-N 3.29Å; W334-A341 HydrophobicContact CB-CB 3.96Å; W334-A341 HydrophobicContact CG-CB 4.45Å; W334-D344 PolarHBondContact NE1-OD2 2.56Å; W334-A346 HydrophobicContact CH2-CB 4.06Å; W334-A346 HydrophobicContact CZ2-CB 3.85Å; W334-Q350 HydrophobicContact CH2-CG 4.31Å; W334-Q350 HydrophobicContact CZ3-CB 4.37Å; W334-Q350 HydrophobicContact CZ3-CG 4.25Å; W334-Y439 PolarHBondContact O-OH 2.75Å; W334-Y448 HydrophobicContact CB-CE2 4.29Å; W334-Y448 HydrophobicContact CE3-CD2 4.4Å; W334-Y448 HydrophobicContact CE3-CE2 4.35Å; W334-L451 HydrophobicContact CZ3-CD1 4.08Å
335G96.9Very high95.5Very high25 Ų2543.9 Ų43.926%0.25823%0.226SC..THydrogen-bonded Turntrans-75.2-12.8175.400000114.5K332 K333 Y439K332-G335 PolarHBondContact O-N 3.27Å; K332-G335 VanDerWaalsContact O-N 3.14Å; K333-G335 PolarHBondContact O-N 2.82Å; K333-G335 VanDerWaalsContact O-N 3.14Å; G335-Y439 PolarHBondContact O-OH 3.32Å
336F97Very high95.8Very high49 Ų4937.9 Ų37.922%0.21520%0.195CC..THydrogen-bonded Turntrans-74.7-39.5-176.9-63.3-12.5000112.1Q293 F294 Y297 K333 W334 E340Q293-F336 HydrophobicContact CG-CD1 4.01Å; Q293-F336 HydrophobicContact CG-CD2 3.72Å; Q293-F336 HydrophobicContact CG-CE1 3.89Å; Q293-F336 HydrophobicContact CG-CE2 3.58Å; Q293-F336 HydrophobicContact CG-CG 3.92Å; Q293-F336 HydrophobicContact CG-CZ 3.65Å; Q293-F336 VanDerWaalsContact NE2-CD1 3.29Å; Q293-F336 WeakPolarHBondContact O-CE2 3.21Å; F294-F336 HydrophobicContact CD1-CD2 4.48Å; F294-F336 HydrophobicContact CD1-CE2 4.49Å; F294-F336 HydrophobicContact CD2-CD2 4.47Å; F294-F336 AromaticContact CE1-CD2 3.94Å; F294-F336 HydrophobicContact CE1-CD2 3.94Å; F294-F336 HydrophobicContact CE1-CE2 4.36Å; F294-F336 AromaticContact CE2-CD2 3.92Å; F294-F336 HydrophobicContact CE2-CD2 3.92Å; F294-F336 HydrophobicContact CZ-CB 4.48Å; F294-F336 AromaticContact CZ-CD2 3.64Å; F294-F336 HydrophobicContact CZ-CD2 3.64Å; F294-F336 HydrophobicContact CZ-CE2 4.4Å; Y297-F336 HydrophobicContact CD2-CE2 4.16Å; Y297-F336 AromaticContact CE2-CE2 3.42Å; Y297-F336 HydrophobicContact CE2-CE2 3.42Å; Y297-F336 VanDerWaalsContact CE2-CE2 3.42Å; Y297-F336 AromaticContact CE2-CZ 3.56Å; Y297-F336 HydrophobicContact CE2-CZ 3.56Å; K333-F336 HydrophobicContact CG-CE2 4.48Å; K333-F336 VanDerWaalsContact O-CB 3.32Å; K333-F336 WeakPolarHBondContact O-CB 3.41Å; K333-F336 WeakPolarHBondContact O-CG 3.33Å; K333-F336 PolarHBondContact O-N 3.27Å; W334-F336 VanDerWaalsContact C-N 3.29Å; F336-E340 HydrophobicContact CB-CG 4.44Å
337S97.4Very high96Very high28 Ų2836.6 Ų36.620%0.19619%0.187CC..  trans-163.8158176.568.70000111.4E339 E340 A341 Y439S337-E339 WeakPolarHBondContact CB-OE2 3.41Å; S337-E339 PolarHBondContact O-N 3.43Å; S337-E340 PolarHBondContact O-N 3.01Å; S337-E340 VanDerWaalsContact O-N 3.11Å; S337-E340 WeakPolarHBondContact OG-CG 3.49Å; S337-E340 PolarHBondContact OG-N 3.47Å; S337-A341 PolarHBondContact O-N 3.31Å; S337-Y439 VanDerWaalsContact C-CZ 3.4Å; S337-Y439 WeakPolarHBondContact CA-OH 3.33Å; S337-Y439 PolarHBondContact N-OH 3.2Å; S337-Y439 PolarHBondContact O-OH 3.07Å
338L98Very high96.2Very high0 Ų038.8 Ų38.80%019%0.191CC..Hα-helixtrans-58.3-36.2173.4176.358.8000110.5E340 A341 L342 F351 F431 M434 K435 Y439L338-E340 VanDerWaalsContact C-N 3.34Å; L338-E340 PolarHBondContact O-N 3.22Å; L338-A341 PolarHBondContact O-N 3.15Å; L338-L342 HydrophobicContact CD1-CD1 3.93Å; L338-L342 HydrophobicContact CD1-CD2 4.17Å; L338-L342 HydrophobicContact CD1-CG 3.74Å; L338-L342 HydrophobicContact CD2-CD1 4.33Å; L338-L342 HydrophobicContact CG-CD1 3.83Å; L338-L342 HydrophobicContact CG-CG 4.05Å; L338-L342 WeakPolarHBondContact O-CB 3.32Å; L338-L342 VanDerWaalsContact O-CG 3.27Å; L338-L342 WeakPolarHBondContact O-CG 3.45Å; L338-L342 PolarHBondContact O-N 3.24Å; L338-F351 HydrophobicContact CD1-CD1 4.12Å; L338-F351 HydrophobicContact CD1-CE1 3.69Å; L338-F351 HydrophobicContact CD1-CZ 4.2Å; L338-F431 HydrophobicContact CB-CZ 4.26Å; L338-F431 HydrophobicContact CD2-CD2 4.05Å; L338-F431 HydrophobicContact CD2-CE2 3.62Å; L338-F431 HydrophobicContact CD2-CZ 3.93Å; L338-F431 HydrophobicContact CG-CE2 3.88Å; L338-F431 HydrophobicContact CG-CZ 4.13Å; L338-M434 HydrophobicContact CD2-CB 3.98Å; L338-K435 HydrophobicContact CB-CG 4.36Å; L338-K435 HydrophobicContact CD2-CB 3.87Å; L338-Y439 HydrophobicContact CB-CD1 3.97Å; L338-Y439 HydrophobicContact CB-CD2 4.02Å; L338-Y439 HydrophobicContact CB-CE1 4.22Å; L338-Y439 HydrophobicContact CB-CE2 4.27Å; L338-Y439 HydrophobicContact CB-CG 3.87Å; L338-Y439 HydrophobicContact CD1-CD2 3.62Å; L338-Y439 HydrophobicContact CD1-CE2 4.33Å; L338-Y439 HydrophobicContact CD1-CG 3.93Å; L338-Y439 HydrophobicContact CG-CD2 4.4Å; L338-Y439 HydrophobicContact CG-CG 4.37Å; L338-Y439 VanDerWaalsContact N-CZ 3.33Å
339E97.4Very high96.4Very high62 Ų6239.2 Ų39.229%0.2920%0.195SC..Hα-helixtrans-57.6-43.5176.1-64.484.4164.900112.1S337 L342 K343 F431 K435S337-E339 WeakPolarHBondContact CB-OE2 3.41Å; S337-E339 PolarHBondContact O-N 3.43Å; E339-L342 PolarHBondContact O-N 3.45Å; E339-K343 WeakPolarHBondContact O-CB 3.37Å; E339-K343 WeakPolarHBondContact O-CG 3.03Å; E339-K343 PolarHBondContact O-N 2.97Å; E339-F431 HydrophobicContact CG-CE1 4.49Å; E339-F431 HydrophobicContact CG-CE2 4.47Å; E339-F431 HydrophobicContact CG-CZ 3.71Å; E339-F431 VanDerWaalsContact OE1-CE1 3.32Å; E339-F431 WeakPolarHBondContact OE1-CE1 3.27Å; E339-F431 VanDerWaalsContact OE1-CZ 3.29Å; E339-F431 WeakPolarHBondContact OE1-CZ 3.4Å; E339-K435 IonicContact OE1-NZ 3.7Å; E339-K435 PolarHBondContact OE1-NZ 3.04Å; E339-K435 IonicContact OE2-NZ 3.01Å; E339-K435 PolarHBondContact OE2-NZ 3.11Å
340E97.8Very high96.7Very high31 Ų3138.1 Ų38.115%0.14519%0.19CC..Hα-helixtrans-66.4-43.4177-69.7-51.2115.400111.9F294 K333 F336 S337 L338 L342 K343 D344F294-E340 HydrophobicContact CE1-CG 4.44Å; F294-E340 HydrophobicContact CZ-CG 4Å; K333-E340 WeakPolarHBondContact O-CB 3.35Å; F336-E340 HydrophobicContact CB-CG 4.44Å; S337-E340 PolarHBondContact O-N 3.01Å; S337-E340 VanDerWaalsContact O-N 3.11Å; S337-E340 WeakPolarHBondContact OG-CG 3.49Å; S337-E340 PolarHBondContact OG-N 3.47Å; L338-E340 VanDerWaalsContact C-N 3.34Å; L338-E340 PolarHBondContact O-N 3.22Å; E340-L342 VanDerWaalsContact C-N 3.29Å; E340-L342 PolarHBondContact O-N 3.4Å; E340-K343 PolarHBondContact O-N 3.42Å; E340-K343 IonicContact OE1-NZ 3.91Å; E340-K343 PolarHBondContact OE1-NZ 2.86Å; E340-D344 PolarHBondContact O-N 3.31Å
341A97.6Very high96.9Very high0 Ų037.1 Ų37.10%019%0.186CC..Hα-helixtrans-61.1-38.4174.700000112.1W334 S337 L338 G347 R348 Y439W334-A341 HydrophobicContact CB-CB 3.96Å; W334-A341 HydrophobicContact CG-CB 4.45Å; S337-A341 PolarHBondContact O-N 3.31Å; L338-A341 PolarHBondContact O-N 3.15Å; A341-G347 CarbonylContact O-C 3.58Å; A341-G347 VanDerWaalsContact O-C 3.29Å; A341-G347 WeakPolarHBondContact O-CA 3.14Å; A341-R348 PolarHBondContact O-N 3.1Å; A341-R348 VanDerWaalsContact O-N 3.13Å; A341-Y439 HydrophobicContact CB-CE2 4.09Å
342L97.5Very high96.9Very high9 Ų938.9 Ų38.95%0.04720%0.195CC..Hα-helixtrans-80.6-24.6-179.4-66.8-175.4000114.2L338 E339 E340 D344 R348 F351 L364 W367 F431L338-L342 HydrophobicContact CD1-CD1 3.93Å; L338-L342 HydrophobicContact CD1-CD2 4.17Å; L338-L342 HydrophobicContact CD1-CG 3.74Å; L338-L342 HydrophobicContact CD2-CD1 4.33Å; L338-L342 HydrophobicContact CG-CD1 3.83Å; L338-L342 HydrophobicContact CG-CG 4.05Å; L338-L342 WeakPolarHBondContact O-CB 3.32Å; L338-L342 VanDerWaalsContact O-CG 3.27Å; L338-L342 WeakPolarHBondContact O-CG 3.45Å; L338-L342 PolarHBondContact O-N 3.24Å; E339-L342 PolarHBondContact O-N 3.45Å; E340-L342 VanDerWaalsContact C-N 3.29Å; E340-L342 PolarHBondContact O-N 3.4Å; L342-D344 VanDerWaalsContact C-N 3.32Å; L342-R348 HydrophobicContact CB-CG 4.36Å; L342-R348 HydrophobicContact CD2-CG 3.97Å; L342-R348 WeakPolarHBondContact O-CD 3.39Å; L342-R348 WeakPolarHBondContact O-CG 3.43Å; L342-R348 PolarHBondContact O-NE 2.56Å; L342-F351 HydrophobicContact CD2-CD1 4Å; L342-L364 HydrophobicContact CD2-CD1 3.56Å; L342-W367 HydrophobicContact CB-CH2 4.23Å; L342-W367 HydrophobicContact CB-CZ3 4.27Å; L342-W367 HydrophobicContact CD1-CD2 4.29Å; L342-W367 HydrophobicContact CD1-CE3 4.01Å; L342-W367 HydrophobicContact CD1-CH2 3.76Å; L342-W367 HydrophobicContact CD1-CZ2 4.06Å; L342-W367 HydrophobicContact CD1-CZ3 3.73Å; L342-W367 HydrophobicContact CG-CZ3 4.47Å; L342-F431 HydrophobicContact CD1-CD2 4.33Å; L342-F431 HydrophobicContact CD1-CE2 3.89Å
343K96.1Very high96.9Very high137 Ų13740.1 Ų40.160%0.59620%0.201SC*.Hα-helixtrans-67.7-36.9172.1-77.3168.5-169.5171.60111E339 E340E339-K343 WeakPolarHBondContact O-CB 3.37Å; E339-K343 WeakPolarHBondContact O-CG 3.03Å; E339-K343 PolarHBondContact O-N 2.97Å; E340-K343 PolarHBondContact O-N 3.42Å; E340-K343 IonicContact OE1-NZ 3.91Å; E340-K343 PolarHBondContact OE1-NZ 2.86Å
344D96.6Very high97Very high20 Ų2038.2 Ų38.211%0.10719%0.193CC..SBendtrans-77.8124.8-179.8-166.5-39.1000111.6R330 W334 E340 L342 A346 G347 R348R330-D344 WeakPolarHBondContact CG-OD2 3.37Å; R330-D344 IonicContact CZ-OD1 3.89Å; R330-D344 IonicContact CZ-OD2 2.78Å; R330-D344 IonicContact NE-OD1 3.9Å; R330-D344 IonicContact NE-OD2 3.26Å; R330-D344 PolarHBondContact NE-OD2 3.32Å; R330-D344 IonicContact NH2-OD1 2.97Å; R330-D344 PolarHBondContact NH2-OD1 3.02Å; R330-D344 IonicContact NH2-OD2 2.81Å; R330-D344 PolarHBondContact NH2-OD2 3.45Å; W334-D344 PolarHBondContact NE1-OD2 2.56Å; E340-D344 PolarHBondContact O-N 3.31Å; L342-D344 VanDerWaalsContact C-N 3.32Å; D344-A346 PolarHBondContact O-N 3.23Å; D344-A346 PolarHBondContact OD1-N 3.47Å; D344-G347 PolarHBondContact O-N 3.3Å; D344-G347 PolarHBondContact OD1-N 2.98Å; D344-R348 WeakPolarHBondContact O-CG 3.39Å; D344-R348 PolarHBondContact O-N 2.93Å
345P95.8Very high97Very high68 Ų6838.1 Ų38.144%0.44219%0.192SC..Hα-helixtrans-55.5-44.4172.7-22.532.2000114R348 D349P345-R348 PolarHBondContact O-N 3.25Å; P345-D349 VanDerWaalsContact O-CG 3.29Å; P345-D349 PolarHBondContact O-N 3Å
346A95.6Very high97Very high10 Ų1040.8 Ų40.88%0.08320%0.198CC..Hα-helixtrans-69.9-36.6179.300000111.1P326 W334 D344 D349 Q350P326-A346 HydrophobicContact CG-CB 4.39Å; W334-A346 HydrophobicContact CH2-CB 4.06Å; W334-A346 HydrophobicContact CZ2-CB 3.85Å; D344-A346 PolarHBondContact O-N 3.23Å; D344-A346 PolarHBondContact OD1-N 3.47Å; A346-D349 PolarHBondContact O-N 2.89Å; A346-Q350 VanDerWaalsContact O-CG 3.27Å; A346-Q350 WeakPolarHBondContact O-CG 3.3Å; A346-Q350 PolarHBondContact O-N 3.24Å
347G96.6Very high96.8Very high0 Ų042 Ų420%021%0.213CC..Hα-helixtrans-61.9-45.8174.400000112A341 D344 D349 Q350 F351A341-G347 CarbonylContact O-C 3.58Å; A341-G347 VanDerWaalsContact O-C 3.29Å; A341-G347 WeakPolarHBondContact O-CA 3.14Å; D344-G347 PolarHBondContact O-N 3.3Å; D344-G347 PolarHBondContact OD1-N 2.98Å; G347-D349 PolarHBondContact O-N 3.26Å; G347-Q350 PolarHBondContact O-N 2.87Å; G347-F351 WeakPolarHBondContact O-CB 3.25Å; G347-F351 PolarHBondContact O-N 3.16Å
348R97.3Very high96.7Very high77 Ų7743.9 Ų43.929%0.29122%0.218SC..Hα-helixtrans-57.6-47.9173.1-76.7-175.7-73.9169.34.6112.6A341 L342 D344 P345 Q350 F351 L352A341-R348 PolarHBondContact O-N 3.1Å; A341-R348 VanDerWaalsContact O-N 3.13Å; L342-R348 HydrophobicContact CB-CG 4.36Å; L342-R348 HydrophobicContact CD2-CG 3.97Å; L342-R348 WeakPolarHBondContact O-CD 3.39Å; L342-R348 WeakPolarHBondContact O-CG 3.43Å; L342-R348 PolarHBondContact O-NE 2.56Å; D344-R348 WeakPolarHBondContact O-CG 3.39Å; D344-R348 PolarHBondContact O-N 2.93Å; P345-R348 PolarHBondContact O-N 3.25Å; R348-Q350 VanDerWaalsContact C-N 3.34Å; R348-Q350 PolarHBondContact O-N 3.31Å; R348-F351 PolarHBondContact O-N 3.25Å; R348-L352 VanDerWaalsContact O-CB 3.32Å; R348-L352 WeakPolarHBondContact O-CB 3.28Å; R348-L352 PolarHBondContact O-N 3.46Å
349D96.3Very high96.3Very high87 Ų8752.6 Ų52.647%0.46526%0.257SS..Hα-helixtrans-63.5-41.6-177.9-72.5-9000111.4P345 A346 G347 L352 K353P345-D349 VanDerWaalsContact O-CG 3.29Å; P345-D349 PolarHBondContact O-N 3Å; A346-D349 PolarHBondContact O-N 2.89Å; G347-D349 PolarHBondContact O-N 3.26Å; D349-L352 PolarHBondContact O-N 3.2Å; D349-K353 VanDerWaalsContact O-CG 3.24Å; D349-K353 WeakPolarHBondContact O-CG 3.38Å; D349-K353 PolarHBondContact O-N 3.09Å
350Q96.5Very high96.2Very high41 Ų4150.5 Ų50.519%0.19225%0.249CC..Hα-helixtrans-70.7-38.2178-63.7-61.5-20.200112.1W334 A346 G347 R348 K353 F354 F442 L451W334-Q350 HydrophobicContact CH2-CG 4.31Å; W334-Q350 HydrophobicContact CZ3-CB 4.37Å; W334-Q350 HydrophobicContact CZ3-CG 4.25Å; A346-Q350 VanDerWaalsContact O-CG 3.27Å; A346-Q350 WeakPolarHBondContact O-CG 3.3Å; A346-Q350 PolarHBondContact O-N 3.24Å; G347-Q350 PolarHBondContact O-N 2.87Å; R348-Q350 VanDerWaalsContact C-N 3.34Å; R348-Q350 PolarHBondContact O-N 3.31Å; Q350-K353 PolarHBondContact O-N 3.1Å; Q350-F354 PolarHBondContact O-N 2.72Å; Q350-F442 HydrophobicContact CB-CE2 4.37Å; Q350-F442 HydrophobicContact CB-CZ 4.29Å; Q350-L451 HydrophobicContact CB-CD1 4.3Å; Q350-L451 HydrophobicContact CG-CD1 3.73Å
351F98Very high96.1Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-66.5-41174.5-174.4-134.2000111.5L338 L342 G347 R348 F354 L355 L364 M434 F442L338-F351 HydrophobicContact CD1-CD1 4.12Å; L338-F351 HydrophobicContact CD1-CE1 3.69Å; L338-F351 HydrophobicContact CD1-CZ 4.2Å; L342-F351 HydrophobicContact CD2-CD1 4Å; G347-F351 WeakPolarHBondContact O-CB 3.25Å; G347-F351 PolarHBondContact O-N 3.16Å; R348-F351 PolarHBondContact O-N 3.25Å; F351-F354 HydrophobicContact CD2-CD1 4.17Å; F351-F354 HydrophobicContact CE2-CD1 4.16Å; F351-F354 WeakPolarHBondContact O-CB 3.47Å; F351-F354 PolarHBondContact O-N 3.13Å; F351-L355 HydrophobicContact CD1-CD1 4.23Å; F351-L355 HydrophobicContact CD2-CG 4.39Å; F351-L355 HydrophobicContact CE1-CD1 3.91Å; F351-L355 HydrophobicContact CE2-CD1 4.31Å; F351-L355 HydrophobicContact CE2-CD2 4.04Å; F351-L355 HydrophobicContact CE2-CG 4.12Å; F351-L355 HydrophobicContact CZ-CD1 3.96Å; F351-L355 HydrophobicContact CZ-CD2 4.11Å; F351-L355 HydrophobicContact CZ-CG 4.23Å; F351-L355 WeakPolarHBondContact O-CG 3.49Å; F351-L355 PolarHBondContact O-N 3.42Å; F351-L364 HydrophobicContact CD1-CD1 4.43Å; F351-L364 HydrophobicContact CD1-CD2 3.78Å; F351-L364 HydrophobicContact CE1-CD2 4.35Å; F351-L364 HydrophobicContact CG-CD2 4.49Å; F351-M434 HydrophobicContact CE1-SD 4.29Å; F351-F442 HydrophobicContact CB-CE2 4.49Å; F351-F442 HydrophobicContact CB-CZ 4.42Å; F351-F442 HydrophobicContact CD2-CB 3.69Å; F351-F442 AromaticContact CD2-CD1 3.92Å; F351-F442 HydrophobicContact CD2-CD1 3.92Å; F351-F442 AromaticContact CD2-CD2 3.96Å; F351-F442 HydrophobicContact CD2-CD2 3.96Å; F351-F442 AromaticContact CD2-CG 3.58Å; F351-F442 HydrophobicContact CD2-CG 3.58Å; F351-F442 HydrophobicContact CE2-CB 3.75Å; F351-F442 HydrophobicContact CE2-CG 4.17Å
352L97.6Very high96.1Very high38 Ų3851.7 Ų51.720%0.19926%0.255CS..Hα-helixtrans-61-47.5174.6-179.162.9000111.7R348 D349 F354 L355 E356 L364 R365R348-L352 VanDerWaalsContact O-CB 3.32Å; R348-L352 WeakPolarHBondContact O-CB 3.28Å; R348-L352 PolarHBondContact O-N 3.46Å; D349-L352 PolarHBondContact O-N 3.2Å; L352-F354 VanDerWaalsContact C-N 3.26Å; L352-F354 PolarHBondContact O-N 3.29Å; L352-L355 PolarHBondContact O-N 2.79Å; L352-L355 VanDerWaalsContact O-N 3.11Å; L352-E356 HydrophobicContact CD1-CG 4.35Å; L352-E356 HydrophobicContact CG-CG 4.43Å; L352-E356 WeakPolarHBondContact O-CG 3.5Å; L352-E356 PolarHBondContact O-N 3.37Å; L352-L364 HydrophobicContact CB-CD2 3.8Å; L352-L364 HydrophobicContact CD1-CD2 4.05Å; L352-R365 HydrophobicContact CD1-CG 4.29Å
353K96.3Very high96Very high110 Ų11052 Ų5248%0.47826%0.257SS..Hα-helixtrans-56.6-40.9175.8-75168.7-174.6170.80112.2D349 Q350 E356 S357D349-K353 VanDerWaalsContact O-CG 3.24Å; D349-K353 WeakPolarHBondContact O-CG 3.38Å; D349-K353 PolarHBondContact O-N 3.09Å; Q350-K353 PolarHBondContact O-N 3.1Å; K353-E356 PolarHBondContact O-N 3.01Å; K353-S357 PolarHBondContact O-N 2.92Å; K353-S357 VanDerWaalsContact O-N 3.1Å
354F97.6Very high96.1Very high8 Ų845.4 Ų45.44%0.03523%0.228CC..Hα-helixtrans-61.4-49.5174.6168.2-100.7000111.3Q350 F351 L352 E356 S357 E358 S438 R441 F442 I447Q350-F354 PolarHBondContact O-N 2.72Å; F351-F354 HydrophobicContact CD2-CD1 4.17Å; F351-F354 HydrophobicContact CE2-CD1 4.16Å; F351-F354 WeakPolarHBondContact O-CB 3.47Å; F351-F354 PolarHBondContact O-N 3.13Å; L352-F354 VanDerWaalsContact C-N 3.26Å; L352-F354 PolarHBondContact O-N 3.29Å; F354-E356 VanDerWaalsContact C-N 3.32Å; F354-E356 PolarHBondContact O-N 3.04Å; F354-S357 WeakPolarHBondContact O-CB 3.24Å; F354-S357 PolarHBondContact O-N 2.81Å; F354-S357 VanDerWaalsContact O-N 3.15Å; F354-S357 PolarHBondContact O-OG 3.27Å; F354-E358 HydrophobicContact CE2-CG 4.31Å; F354-E358 WeakPolarHBondContact CE2-OE1 3.39Å; F354-E358 HydrophobicContact CZ-CG 4.29Å; F354-E358 WeakPolarHBondContact CZ-OE1 3.39Å; F354-E358 WeakPolarHBondContact CZ-OE2 3.25Å; F354-E358 PolarHBondContact O-N 2.9Å; F354-S438 WeakPolarHBondContact CE1-O 3.26Å; F354-R441 HydrophobicContact CE1-CB 4.39Å; F354-R441 HydrophobicContact CZ-CB 3.84Å; F354-F442 HydrophobicContact CB-CD2 3.71Å; F354-F442 HydrophobicContact CB-CE2 4.27Å; F354-F442 HydrophobicContact CD1-CB 3.7Å; F354-F442 HydrophobicContact CD1-CD2 4.05Å; F354-F442 HydrophobicContact CD1-CG 4.32Å; F354-F442 HydrophobicContact CD2-CD2 4.42Å; F354-F442 HydrophobicContact CE1-CB 3.82Å; F354-F442 HydrophobicContact CG-CB 4.2Å; F354-F442 AromaticContact CG-CD2 3.78Å; F354-F442 HydrophobicContact CG-CD2 3.78Å; F354-F442 HydrophobicContact CG-CG 4.48Å; F354-F442 HydrophobicContact CZ-CB 4.41Å; F354-I447 HydrophobicContact CB-CD1 3.91Å; F354-I447 HydrophobicContact CD2-CD1 4.17Å
355L96.9Very high96.2Very high1 Ų148.9 Ų48.91%0.00524%0.24CC..Hα-helixtrans-63.5-36.5179-64.4174.1000112.8F351 L352 S357 E358 F359 S360 L364 S438F351-L355 HydrophobicContact CD1-CD1 4.23Å; F351-L355 HydrophobicContact CD2-CG 4.39Å; F351-L355 HydrophobicContact CE1-CD1 3.91Å; F351-L355 HydrophobicContact CE2-CD1 4.31Å; F351-L355 HydrophobicContact CE2-CD2 4.04Å; F351-L355 HydrophobicContact CE2-CG 4.12Å; F351-L355 HydrophobicContact CZ-CD1 3.96Å; F351-L355 HydrophobicContact CZ-CD2 4.11Å; F351-L355 HydrophobicContact CZ-CG 4.23Å; F351-L355 WeakPolarHBondContact O-CG 3.49Å; F351-L355 PolarHBondContact O-N 3.42Å; L352-L355 PolarHBondContact O-N 2.79Å; L352-L355 VanDerWaalsContact O-N 3.11Å; L355-S357 VanDerWaalsContact C-N 3.32Å; L355-E358 CarbonylContact O-C 3.49Å; L355-E358 PolarHBondContact O-N 2.83Å; L355-E358 VanDerWaalsContact O-N 3.17Å; L355-F359 PolarHBondContact O-N 2.88Å; L355-S360 PolarHBondContact O-N 2.76Å; L355-S360 PolarHBondContact O-OG 3.03Å; L355-L364 HydrophobicContact CD1-CB 3.5Å; L355-L364 VanDerWaalsContact CD1-CB 3.5Å; L355-L364 HydrophobicContact CD1-CD2 3.83Å; L355-L364 HydrophobicContact CD1-CG 4.31Å; L355-S438 VanDerWaalsContact CD2-CB 3.48Å
356E96.2Very high96.3Very high81 Ų8145.6 Ų45.638%0.37922%0.219SC..Hα-helixtrans-63.7-38.4174.8-73.7177.9161.900111.7L352 K353 F354 E358 F359 R365L352-E356 HydrophobicContact CD1-CG 4.35Å; L352-E356 HydrophobicContact CG-CG 4.43Å; L352-E356 WeakPolarHBondContact O-CG 3.5Å; L352-E356 PolarHBondContact O-N 3.37Å; K353-E356 PolarHBondContact O-N 3.01Å; F354-E356 VanDerWaalsContact C-N 3.32Å; F354-E356 PolarHBondContact O-N 3.04Å; E356-E358 PolarHBondContact O-N 3.11Å; E356-F359 PolarHBondContact O-N 3.44Å; E356-F359 VanDerWaalsContact O-N 3.15Å; E356-R365 IonicContact OE1-CZ 2.88Å; E356-R365 IonicContact OE1-NH2 3.65Å; E356-R365 PolarHBondContact OE1-NH2 3.06Å
357S94.7Very high96.4Very high74 Ų7446.7 Ų46.752%0.51722%0.221SC..Hα-helixtrans-65.6-22.6175.178.20000113.5K353 F354 L355K353-S357 PolarHBondContact O-N 2.92Å; K353-S357 VanDerWaalsContact O-N 3.1Å; F354-S357 WeakPolarHBondContact O-CB 3.24Å; F354-S357 PolarHBondContact O-N 2.81Å; F354-S357 VanDerWaalsContact O-N 3.15Å; F354-S357 PolarHBondContact O-OG 3.27Å; L355-S357 VanDerWaalsContact C-N 3.32Å
358E94.4Very high96.5Very high67 Ų6749 Ų4931%0.31323%0.233SC..THydrogen-bonded Turntrans-104.29.8176.5-62.8-169.9150.700113.1F354 L355 E356 S360 R441F354-E358 HydrophobicContact CE2-CG 4.31Å; F354-E358 WeakPolarHBondContact CE2-OE1 3.39Å; F354-E358 HydrophobicContact CZ-CG 4.29Å; F354-E358 WeakPolarHBondContact CZ-OE1 3.39Å; F354-E358 WeakPolarHBondContact CZ-OE2 3.25Å; F354-E358 PolarHBondContact O-N 2.9Å; L355-E358 CarbonylContact O-C 3.49Å; L355-E358 PolarHBondContact O-N 2.83Å; L355-E358 VanDerWaalsContact O-N 3.17Å; E356-E358 PolarHBondContact O-N 3.11Å; E358-S360 VanDerWaalsContact C-N 3.25Å; E358-S360 PolarHBondContact O-N 3.09Å; E358-R441 IonicContact OE1-NH1 2.68Å; E358-R441 PolarHBondContact OE1-NH1 3.25Å; E358-R441 IonicContact OE2-CZ 2.88Å; E358-R441 IonicContact OE2-NH1 3.61Å; E358-R441 PolarHBondContact OE2-NH1 3.33Å; E358-R441 IonicContact OE2-NH2 2.84Å
359F90.6Very high96.5Very high184 Ų18445.7 Ų45.781%0.80722%0.222SC*.THydrogen-bonded Turntrans52.639.4-178.2-54.3-87.7000113.7L355 E356L355-F359 PolarHBondContact O-N 2.88Å; E356-F359 PolarHBondContact O-N 3.44Å; E356-F359 VanDerWaalsContact O-N 3.15Å
360S94Very high96.6Very high18 Ų1841.6 Ų41.613%0.12620%0.2CC..  trans-131.423.2-177.459.60000113.9L355 E358 E362L355-S360 PolarHBondContact O-N 2.76Å; L355-S360 PolarHBondContact O-OG 3.03Å; E358-S360 VanDerWaalsContact C-N 3.25Å; E358-S360 PolarHBondContact O-N 3.09Å; S360-E362 VanDerWaalsContact C-N 3.31Å; S360-E362 VanDerWaalsContact CA-OE2 3.22Å; S360-E362 WeakPolarHBondContact CA-OE2 3.38Å; S360-E362 PolarHBondContact O-N 3.2Å
361S96.4Very high96.7Very high10 Ų1041.7 Ų41.77%0.0720%0.201CC..THydrogen-bonded Turntrans-71.1-19.6-175.565.70000114.9N363 L364 R365S361-N363 VanDerWaalsContact C-N 3.25Å; S361-N363 PolarHBondContact O-N 3.3Å; S361-L364 PolarHBondContact O-N 3.38Å; S361-R365 WeakPolarHBondContact O-CG 3.5Å; S361-R365 PolarHBondContact O-N 3.26Å; S361-R365 PolarHBondContact OG-NH2 2.68Å
362E97Very high96.7Very high45 Ų4544.3 Ų44.321%0.2122%0.215CC..Hα-helixtrans-56.8-37-17864.4-74.3171.800112.5S360 L364 R365 F366 I401S360-E362 VanDerWaalsContact C-N 3.31Å; S360-E362 VanDerWaalsContact CA-OE2 3.22Å; S360-E362 WeakPolarHBondContact CA-OE2 3.38Å; S360-E362 PolarHBondContact O-N 3.2Å; E362-L364 PolarHBondContact O-N 3.34Å; E362-R365 PolarHBondContact O-N 3.15Å; E362-F366 WeakPolarHBondContact O-CB 3.39Å; E362-F366 PolarHBondContact O-N 3.31Å; E362-I401 HydrophobicContact CB-CG2 4.06Å; E362-I401 HydrophobicContact CG-CG2 3.86Å
363N96.4Very high96.7Very high15 Ų1542.5 Ų42.58%0.0821%0.205CC..Hα-helixtrans-62.6-45.7178.8-70-32.7000112.1S361 W367 I430 M434S361-N363 VanDerWaalsContact C-N 3.25Å; S361-N363 PolarHBondContact O-N 3.3Å; N363-W367 WeakPolarHBondContact O-CB 3.36Å; N363-W367 PolarHBondContact O-N 3.02Å; N363-I430 HydrophobicContact CB-CG2 3.81Å; N363-I430 WeakPolarHBondContact O-CG2 3.34Å; N363-M434 HydrophobicContact CB-CG 3.96Å; N363-M434 HydrophobicContact CB-SD 3.93Å
364L97.7Very high96.8Very high0 Ų039.4 Ų39.40%019%0.192CC..Hα-helixtrans-71.5-40.2178.5179.158.7000111.2L342 F351 L352 L355 S361 E362 W367 L368 M434L342-L364 HydrophobicContact CD2-CD1 3.56Å; F351-L364 HydrophobicContact CD1-CD1 4.43Å; F351-L364 HydrophobicContact CD1-CD2 3.78Å; F351-L364 HydrophobicContact CE1-CD2 4.35Å; F351-L364 HydrophobicContact CG-CD2 4.49Å; L352-L364 HydrophobicContact CB-CD2 3.8Å; L352-L364 HydrophobicContact CD1-CD2 4.05Å; L355-L364 HydrophobicContact CD1-CB 3.5Å; L355-L364 VanDerWaalsContact CD1-CB 3.5Å; L355-L364 HydrophobicContact CD1-CD2 3.83Å; L355-L364 HydrophobicContact CD1-CG 4.31Å; S361-L364 PolarHBondContact O-N 3.38Å; E362-L364 PolarHBondContact O-N 3.34Å; L364-W367 HydrophobicContact CD1-CE3 4.46Å; L364-W367 PolarHBondContact O-N 3.21Å; L364-L368 HydrophobicContact CD1-CD1 4.12Å; L364-L368 HydrophobicContact CD1-CG 4.05Å; L364-L368 HydrophobicContact CG-CD1 3.94Å; L364-L368 HydrophobicContact CG-CG 4.34Å; L364-L368 WeakPolarHBondContact O-CB 3.46Å; L364-L368 VanDerWaalsContact O-CG 3.26Å; L364-L368 WeakPolarHBondContact O-CG 3.46Å; L364-L368 PolarHBondContact O-N 2.82Å; L364-M434 HydrophobicContact CB-SD 3.92Å; L364-M434 HydrophobicContact CD1-CE 4.49Å; L364-M434 HydrophobicContact CD1-SD 4.39Å
365R98.1Very high96.7Very high92 Ų9247.6 Ų47.635%0.34722%0.222SC..Hα-helixtrans-61.3-45.4176.6-69.9178.9-170.91624111.4L352 E356 S361 E362 L368 A369 F392L352-R365 HydrophobicContact CD1-CG 4.29Å; E356-R365 IonicContact OE1-CZ 2.88Å; E356-R365 IonicContact OE1-NH2 3.65Å; E356-R365 PolarHBondContact OE1-NH2 3.06Å; S361-R365 WeakPolarHBondContact O-CG 3.5Å; S361-R365 PolarHBondContact O-N 3.26Å; S361-R365 PolarHBondContact OG-NH2 2.68Å; E362-R365 PolarHBondContact O-N 3.15Å; R365-L368 PolarHBondContact O-N 3.02Å; R365-A369 WeakPolarHBondContact O-CB 3.49Å; R365-A369 PolarHBondContact O-N 2.92Å; R365-F392 HydrophobicContact CB-CE1 3.95Å; R365-F392 HydrophobicContact CB-CZ 3.94Å
366F98.4Very high96.7Very high0 Ų051.6 Ų51.60%024%0.238CC..Hα-helixtrans-57.7-51.2172.7170.1-103.8000111.2E362 L368 A369 V370 I388 F392 L393 I401 Y423 A426 I430E362-F366 WeakPolarHBondContact O-CB 3.39Å; E362-F366 PolarHBondContact O-N 3.31Å; F366-L368 VanDerWaalsContact C-N 3.3Å; F366-L368 PolarHBondContact O-N 3.22Å; F366-A369 WeakPolarHBondContact O-CB 2.91Å; F366-A369 PolarHBondContact O-N 3.33Å; F366-A369 VanDerWaalsContact O-N 3.11Å; F366-V370 HydrophobicContact CD2-CG2 4.22Å; F366-V370 HydrophobicContact CE1-CG2 4.15Å; F366-V370 HydrophobicContact CE2-CG2 3.75Å; F366-V370 HydrophobicContact CZ-CG2 3.71Å; F366-V370 WeakPolarHBondContact O-CG2 3.41Å; F366-V370 PolarHBondContact O-N 3.17Å; F366-I388 HydrophobicContact CD2-CG2 4Å; F366-I388 HydrophobicContact CE2-CG2 3.86Å; F366-F392 HydrophobicContact CB-CB 4.48Å; F366-F392 HydrophobicContact CB-CD1 3.7Å; F366-F392 HydrophobicContact CB-CD2 4.28Å; F366-F392 HydrophobicContact CB-CE1 3.95Å; F366-F392 HydrophobicContact CB-CE2 4.48Å; F366-F392 HydrophobicContact CB-CG 3.9Å; F366-F392 HydrophobicContact CB-CZ 4.34Å; F366-F392 HydrophobicContact CD2-CB 3.74Å; F366-F392 HydrophobicContact CD2-CD1 4.43Å; F366-F392 AromaticContact CD2-CD2 3.87Å; F366-F392 HydrophobicContact CD2-CD2 3.87Å; F366-F392 AromaticContact CD2-CG 3.76Å; F366-F392 HydrophobicContact CD2-CG 3.76Å; F366-F392 HydrophobicContact CE2-CB 4.48Å; F366-F392 HydrophobicContact CG-CB 4.47Å; F366-F392 HydrophobicContact CG-CG 4.3Å; F366-L393 HydrophobicContact CE2-CD1 4.43Å; F366-I401 HydrophobicContact CB-CD1 4.28Å; F366-I401 HydrophobicContact CB-CG2 4.06Å; F366-I401 HydrophobicContact CD1-CD1 3.59Å; F366-I401 HydrophobicContact CD2-CD1 3.81Å; F366-I401 HydrophobicContact CE1-CD1 3.75Å; F366-I401 HydrophobicContact CE2-CD1 3.98Å; F366-I401 HydrophobicContact CG-CD1 3.61Å; F366-I401 HydrophobicContact CZ-CD1 3.94Å; F366-Y423 AromaticContact CE2-CD1 3.88Å; F366-Y423 HydrophobicContact CE2-CD1 3.88Å; F366-Y423 HydrophobicContact CE2-CE1 4.25Å; F366-Y423 AromaticContact CZ-CD1 3.94Å; F366-Y423 HydrophobicContact CZ-CD1 3.94Å; F366-A426 HydrophobicContact CE1-CB 4.23Å; F366-A426 HydrophobicContact CZ-CB 3.83Å; F366-I430 HydrophobicContact CD1-CB 4.16Å; F366-I430 HydrophobicContact CD1-CG1 3.86Å; F366-I430 HydrophobicContact CD1-CG2 4.18Å; F366-I430 HydrophobicContact CE1-CB 4.33Å; F366-I430 HydrophobicContact CE1-CG1 3.89Å
367W98Very high96.8Very high33 Ų3350.9 Ų50.913%0.12524%0.24CC..Hα-helixtrans-59-42.1-178.7-175.592.8000112.1L342 N363 L364 V370 Q371 Q427 F431 M434L342-W367 HydrophobicContact CB-CH2 4.23Å; L342-W367 HydrophobicContact CB-CZ3 4.27Å; L342-W367 HydrophobicContact CD1-CD2 4.29Å; L342-W367 HydrophobicContact CD1-CE3 4.01Å; L342-W367 HydrophobicContact CD1-CH2 3.76Å; L342-W367 HydrophobicContact CD1-CZ2 4.06Å; L342-W367 HydrophobicContact CD1-CZ3 3.73Å; L342-W367 HydrophobicContact CG-CZ3 4.47Å; N363-W367 WeakPolarHBondContact O-CB 3.36Å; N363-W367 PolarHBondContact O-N 3.02Å; L364-W367 HydrophobicContact CD1-CE3 4.46Å; L364-W367 PolarHBondContact O-N 3.21Å; W367-V370 PolarHBondContact O-N 2.92Å; W367-Q371 HydrophobicContact CD2-CG 4.04Å; W367-Q371 HydrophobicContact CE3-CG 3.79Å; W367-Q371 HydrophobicContact CH2-CG 3.6Å; W367-Q371 HydrophobicContact CZ2-CG 3.82Å; W367-Q371 HydrophobicContact CZ3-CG 3.58Å; W367-Q371 WeakPolarHBondContact O-CG 3.45Å; W367-Q371 PolarHBondContact O-N 3.42Å; W367-Q427 VanDerWaalsContact CD1-CG 3.41Å; W367-Q427 HydrophobicContact CG-CG 4.27Å; W367-Q427 PolarHBondContact O-NE2 3.14Å; W367-F431 AromaticContact CE2-CD2 3.86Å; W367-F431 HydrophobicContact CZ2-CD2 4.19Å; W367-F431 HydrophobicContact CZ2-CE2 4.37Å; W367-F431 AromaticContact NE1-CD2 3.41Å; W367-F431 AromaticContact NE1-CG 3.96Å; W367-M434 HydrophobicContact CB-CE 3.87Å; W367-M434 HydrophobicContact CG-CE 4Å
368L97.9Very high96.9Very high47 Ų4753.7 Ų53.725%0.24625%0.248CC..Hα-helixtrans-66.6-39.6175.7-70.7171.6000112.1L364 R365 F366 V370 Q371 D372L364-L368 HydrophobicContact CD1-CD1 4.12Å; L364-L368 HydrophobicContact CD1-CG 4.05Å; L364-L368 HydrophobicContact CG-CD1 3.94Å; L364-L368 HydrophobicContact CG-CG 4.34Å; L364-L368 WeakPolarHBondContact O-CB 3.46Å; L364-L368 VanDerWaalsContact O-CG 3.26Å; L364-L368 WeakPolarHBondContact O-CG 3.46Å; L364-L368 PolarHBondContact O-N 2.82Å; R365-L368 PolarHBondContact O-N 3.02Å; F366-L368 VanDerWaalsContact C-N 3.3Å; F366-L368 PolarHBondContact O-N 3.22Å; L368-V370 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 3.4Å; L368-Q371 WeakPolarHBondContact O-CB 3.49Å; L368-Q371 PolarHBondContact O-N 2.84Å; L368-D372 PolarHBondContact O-N 3.32Å
369A98.2Very high97.1Very high9 Ų958.4 Ų58.47%0.07427%0.271CS..Hα-helixtrans-62.9-39.5176.200000111.7R365 F366 D372 L373 I388 F392R365-A369 WeakPolarHBondContact O-CB 3.49Å; R365-A369 PolarHBondContact O-N 2.92Å; F366-A369 WeakPolarHBondContact O-CB 2.91Å; F366-A369 PolarHBondContact O-N 3.33Å; F366-A369 VanDerWaalsContact O-N 3.11Å; A369-D372 WeakPolarHBondContact O-CB 3.44Å; A369-D372 PolarHBondContact O-N 2.96Å; A369-L373 PolarHBondContact O-N 2.65Å; A369-I388 HydrophobicContact CB-CD1 4.05Å; A369-I388 HydrophobicContact CB-CG1 3.97Å; A369-I388 WeakPolarHBondContact O-CD1 3.16Å; A369-F392 HydrophobicContact CB-CE2 4.1Å
370V98.3Very high97.4Very high0 Ų053 Ų530%025%0.247CC..Hα-helixtrans-69.3-36.4174179.40000111.8F366 W367 L368 D372 L373 K374 I388 Y423 Q427F366-V370 HydrophobicContact CD2-CG2 4.22Å; F366-V370 HydrophobicContact CE1-CG2 4.15Å; F366-V370 HydrophobicContact CE2-CG2 3.75Å; F366-V370 HydrophobicContact CZ-CG2 3.71Å; F366-V370 WeakPolarHBondContact O-CG2 3.41Å; F366-V370 PolarHBondContact O-N 3.17Å; W367-V370 PolarHBondContact O-N 2.92Å; L368-V370 VanDerWaalsContact C-N 3.33Å; L368-V370 PolarHBondContact O-N 3.4Å; V370-D372 VanDerWaalsContact C-N 3.32Å; V370-D372 PolarHBondContact O-N 3.2Å; V370-L373 PolarHBondContact O-N 3.03Å; V370-K374 WeakPolarHBondContact O-CG 3.4Å; V370-K374 PolarHBondContact O-N 2.96Å; V370-I388 HydrophobicContact CG2-CG2 4.35Å; V370-Y423 HydrophobicContact CG2-CD1 4.39Å; V370-Y423 HydrophobicContact CG2-CD2 4.38Å; V370-Y423 HydrophobicContact CG2-CG 3.92Å; V370-Q427 HydrophobicContact CB-CB 4.49Å; V370-Q427 HydrophobicContact CB-CG 4.34Å; V370-Q427 HydrophobicContact CG1-CB 4.03Å; V370-Q427 VanDerWaalsContact CG1-CD 3.44Å; V370-Q427 HydrophobicContact CG1-CG 4.11Å
371Q97.5Very high97.6Very high43 Ų4352.2 Ų52.220%0.20124%0.242CC..Hα-helixtrans-62.1-39.6171.8-74.9-64-34.800112.4W367 L368 R375W367-Q371 HydrophobicContact CD2-CG 4.04Å; W367-Q371 HydrophobicContact CE3-CG 3.79Å; W367-Q371 HydrophobicContact CH2-CG 3.6Å; W367-Q371 HydrophobicContact CZ2-CG 3.82Å; W367-Q371 HydrophobicContact CZ3-CG 3.58Å; W367-Q371 WeakPolarHBondContact O-CG 3.45Å; W367-Q371 PolarHBondContact O-N 3.42Å; L368-Q371 WeakPolarHBondContact O-CB 3.49Å; L368-Q371 PolarHBondContact O-N 2.84Å; Q371-R375 WeakPolarHBondContact O-CG 3.48Å; Q371-R375 PolarHBondContact O-NE 2.99Å
372D97.6Very high97.6Very high56 Ų5654.6 Ų54.630%0.29926%0.259SS..Hα-helixtrans-63.8-49174.2-17861.6000110.9L368 A369 V370 K374 R375 R376 R384L368-D372 PolarHBondContact O-N 3.32Å; A369-D372 WeakPolarHBondContact O-CB 3.44Å; A369-D372 PolarHBondContact O-N 2.96Å; V370-D372 VanDerWaalsContact C-N 3.32Å; V370-D372 PolarHBondContact O-N 3.2Å; D372-K374 PolarHBondContact O-N 3.46Å; D372-R375 WeakPolarHBondContact O-CA 3.21Å; D372-R375 PolarHBondContact O-N 2.9Å; D372-R376 WeakPolarHBondContact O-CG 3.24Å; D372-R376 PolarHBondContact O-N 3.31Å; D372-R376 VanDerWaalsContact O-N 3.16Å; D372-R376 IonicContact OD1-CZ 3.87Å; D372-R376 IonicContact OD1-NE 2.88Å; D372-R376 IonicContact OD1-NH2 3.98Å; D372-R376 IonicContact OD2-CZ 3.95Å; D372-R376 VanDerWaalsContact OD2-CZ 3.32Å; D372-R376 IonicContact OD2-NE 3.82Å; D372-R376 PolarHBondContact OD2-NE 2.92Å; D372-R376 IonicContact OD2-NH2 2.96Å; D372-R376 PolarHBondContact OD2-NH2 3.21Å; D372-R384 IonicContact OD2-NE 2.71Å
373L98.3Very high97.7Very high0 Ų056.6 Ų56.60%027%0.274CS..Hα-helixtrans-49.9-44.3177178.568.7000112.5A369 V370 R375 R376 V381 R384 A385 I388 Y423A369-L373 PolarHBondContact O-N 2.65Å; V370-L373 PolarHBondContact O-N 3.03Å; L373-R375 PolarHBondContact O-N 3.37Å; L373-R376 PolarHBondContact O-N 2.99Å; L373-V381 HydrophobicContact CD1-CB 4.41Å; L373-V381 HydrophobicContact CD1-CG1 4.01Å; L373-V381 WeakPolarHBondContact CD1-O 3.48Å; L373-R384 HydrophobicContact CB-CG 4.48Å; L373-R384 HydrophobicContact CD1-CB 3.79Å; L373-R384 HydrophobicContact CD1-CG 3.83Å; L373-A385 HydrophobicContact CD1-CB 4.19Å; L373-A385 HydrophobicContact CD2-CB 4.23Å; L373-I388 HydrophobicContact CB-CD1 3.9Å; L373-I388 HydrophobicContact CD2-CD1 4.2Å; L373-I388 HydrophobicContact CG-CD1 4.47Å; L373-Y423 HydrophobicContact CD2-CD2 3.58Å; L373-Y423 HydrophobicContact CD2-CE2 3.88Å
374K97.8Very high97.7Very high44 Ų4458.2 Ų58.219%0.19128%0.279CS..Hα-helixtrans-61.4-24179.6-75.5175.7174.6-175.70113.4V370 D372 R420V370-K374 WeakPolarHBondContact O-CG 3.4Å; V370-K374 PolarHBondContact O-N 2.96Å; D372-K374 PolarHBondContact O-N 3.46Å; K374-R420 WeakPolarHBondContact CG-O 3.37Å; K374-R420 PolarHBondContact O-NH1 3.26Å
375R97.2Very high97.8Very high180 Ų18058.2 Ų58.268%0.67928%0.279SS*.Hα-helixtrans-102.9-8.5-176.1-59.3174.4-158.2-175.24113.4Q371 D372 L373Q371-R375 WeakPolarHBondContact O-CG 3.48Å; Q371-R375 PolarHBondContact O-NE 2.99Å; D372-R375 WeakPolarHBondContact O-CA 3.21Å; D372-R375 PolarHBondContact O-N 2.9Å; L373-R375 PolarHBondContact O-N 3.37Å
376R96.9Very high97.7Very high86 Ų8657.4 Ų57.433%0.32528%0.28SS..SBendtrans-64.8151.6179.8-72.6-75.2174.1166.8-0.9112.7D372 L373 E380 V381 R420D372-R376 WeakPolarHBondContact O-CG 3.24Å; D372-R376 PolarHBondContact O-N 3.31Å; D372-R376 VanDerWaalsContact O-N 3.16Å; D372-R376 IonicContact OD1-CZ 3.87Å; D372-R376 IonicContact OD1-NE 2.88Å; D372-R376 IonicContact OD1-NH2 3.98Å; D372-R376 IonicContact OD2-CZ 3.95Å; D372-R376 VanDerWaalsContact OD2-CZ 3.32Å; D372-R376 IonicContact OD2-NE 3.82Å; D372-R376 PolarHBondContact OD2-NE 2.92Å; D372-R376 IonicContact OD2-NH2 2.96Å; D372-R376 PolarHBondContact OD2-NH2 3.21Å; L373-R376 PolarHBondContact O-N 2.99Å; R376-E380 HydrophobicContact CB-CB 4.37Å; R376-E380 VanDerWaalsContact CD-OE2 3.28Å; R376-E380 WeakPolarHBondContact CD-OE2 3.42Å; R376-E380 IonicContact CZ-OE2 3.57Å; R376-E380 IonicContact NE-OE2 2.64Å; R376-E380 IonicContact NH1-OE2 2.77Å; R376-E380 PolarHBondContact NH1-OE2 2.97Å; R376-V381 HydrophobicContact CB-CG2 4.31Å; R376-R420 VanDerWaalsContact O-CZ 3.23Å; R376-R420 PolarHBondContact O-NH2 2.89Å
377P97.6Very high97.7Very high65 Ų6561.8 Ų61.842%0.42230%0.3SS..  trans-54.9143.6165.1-2334.5000110.8Q379 E380 V381P377-Q379 HydrophobicContact CB-CG 4.23Å; P377-Q379 PolarHBondContact O-N 3.49Å; P377-Q379 VanDerWaalsContact O-N 3.09Å; P377-E380 PolarHBondContact O-N 2.96Å; P377-V381 PolarHBondContact O-N 2.72Å
378L97.1Very high97.7Very high134 Ų13460.2 Ų60.270%0.70229%0.294SS*.Hα-helixtrans-55.9-35.1-172.8-173.963.7000113.1E380 V381L378-E380 VanDerWaalsContact C-N 3.27Å; L378-E380 PolarHBondContact O-N 3.24Å; L378-V381 WeakPolarHBondContact O-CB 3.32Å; L378-V381 PolarHBondContact O-N 3.34Å
379Q97.3Very high97.7Very high166 Ų16659.6 Ų59.678%0.77629%0.288SS*.Hα-helixtrans-63.6-26.1178.269.7-169.64.500114.2P377P377-Q379 HydrophobicContact CB-CG 4.23Å; P377-Q379 PolarHBondContact O-N 3.49Å; P377-Q379 VanDerWaalsContact O-N 3.09Å
380E97.6Very high97.7Very high69 Ų6964.4 Ų64.432%0.32231%0.309SS..Hα-helixtrans-91.9-15.7-179.6-71.9171.9-14200112.4R376 P377 L378 S382 T383 R384R376-E380 HydrophobicContact CB-CB 4.37Å; R376-E380 VanDerWaalsContact CD-OE2 3.28Å; R376-E380 WeakPolarHBondContact CD-OE2 3.42Å; R376-E380 IonicContact CZ-OE2 3.57Å; R376-E380 IonicContact NE-OE2 2.64Å; R376-E380 IonicContact NH1-OE2 2.77Å; R376-E380 PolarHBondContact NH1-OE2 2.97Å; P377-E380 PolarHBondContact O-N 2.96Å; L378-E380 VanDerWaalsContact C-N 3.27Å; L378-E380 PolarHBondContact O-N 3.24Å; E380-S382 PolarHBondContact O-N 3.42Å; E380-T383 PolarHBondContact O-N 2.92Å; E380-R384 VanDerWaalsContact O-CB 3.29Å; E380-R384 WeakPolarHBondContact O-CB 3.38Å; E380-R384 PolarHBondContact O-N 3.25Å
381V97.9Very high97.7Very high2 Ų267.6 Ų67.61%0.01232%0.324CS..Hα-helixtrans-60.1-44.5-171.5170.90000111.6L373 R376 P377 L378 R384 A385 R420L373-V381 HydrophobicContact CD1-CB 4.41Å; L373-V381 HydrophobicContact CD1-CG1 4.01Å; L373-V381 WeakPolarHBondContact CD1-O 3.48Å; R376-V381 HydrophobicContact CB-CG2 4.31Å; P377-V381 PolarHBondContact O-N 2.72Å; L378-V381 WeakPolarHBondContact O-CB 3.32Å; L378-V381 PolarHBondContact O-N 3.34Å; V381-R384 PolarHBondContact O-N 2.73Å; V381-A385 WeakPolarHBondContact O-CB 3.12Å; V381-A385 PolarHBondContact O-N 3.17Å; V381-R420 HydrophobicContact CG1-CG 4.24Å; V381-R420 HydrophobicContact CG2-CG 3.92Å
382S97.3Very high97.7Very high60 Ų6065.6 Ų65.642%0.4232%0.315SS..Hα-helixtrans-64.2-48.7-177.4-1730000111.9E380 A385 Q386E380-S382 PolarHBondContact O-N 3.42Å; S382-A385 PolarHBondContact O-N 2.89Å; S382-Q386 WeakPolarHBondContact O-CG 3.43Å; S382-Q386 PolarHBondContact O-N 3.17Å; S382-Q386 VanDerWaalsContact O-N 3.16Å
383T97.8Very high97.7Very high88 Ų8863.5 Ų63.554%0.5430%0.304SS..Hα-helixtrans-62-48.5177-52.70000111.3E380 A385 Q386 E387E380-T383 PolarHBondContact O-N 2.92Å; T383-A385 VanDerWaalsContact C-N 3.31Å; T383-A385 PolarHBondContact O-N 3.29Å; T383-Q386 PolarHBondContact O-N 3Å; T383-Q386 VanDerWaalsContact O-N 3.15Å; T383-E387 WeakPolarHBondContact O-CG 3.36Å; T383-E387 PolarHBondContact O-N 2.87Å
384R98.2Very high97.5Very high49 Ų4964.1 Ų64.119%0.18531%0.309CS..Hα-helixtrans-64.2-36.1-179-176.357.4-179.6153.68.5112.3D372 L373 E380 V381 E387 I388D372-R384 IonicContact OD2-NE 2.71Å; L373-R384 HydrophobicContact CB-CG 4.48Å; L373-R384 HydrophobicContact CD1-CB 3.79Å; L373-R384 HydrophobicContact CD1-CG 3.83Å; E380-R384 VanDerWaalsContact O-CB 3.29Å; E380-R384 WeakPolarHBondContact O-CB 3.38Å; E380-R384 PolarHBondContact O-N 3.25Å; V381-R384 PolarHBondContact O-N 2.73Å; R384-E387 WeakPolarHBondContact CD-OE2 3.26Å; R384-E387 IonicContact CZ-OE2 3.32Å; R384-E387 IonicContact NE-OE2 2.71Å; R384-E387 IonicContact NH1-OE2 3.98Å; R384-E387 PolarHBondContact NH1-OE2 3.27Å; R384-E387 PolarHBondContact O-N 3.41Å; R384-I388 HydrophobicContact CG-CD1 4.18Å; R384-I388 VanDerWaalsContact O-CG1 3.28Å; R384-I388 WeakPolarHBondContact O-CG1 3.49Å; R384-I388 PolarHBondContact O-N 2.87Å; R384-I388 VanDerWaalsContact O-N 3.1Å
385A98.1Very high97.2Very high0 Ų071.4 Ų71.40%034%0.344CS..Hα-helixtrans-60.7-49.2173.700000110.4L373 V381 S382 T383 E387 I388 W389 L415 P418 Y423L373-A385 HydrophobicContact CD1-CB 4.19Å; L373-A385 HydrophobicContact CD2-CB 4.23Å; V381-A385 WeakPolarHBondContact O-CB 3.12Å; V381-A385 PolarHBondContact O-N 3.17Å; S382-A385 PolarHBondContact O-N 2.89Å; T383-A385 VanDerWaalsContact C-N 3.31Å; T383-A385 PolarHBondContact O-N 3.29Å; A385-E387 VanDerWaalsContact C-N 3.31Å; A385-E387 PolarHBondContact O-N 3.32Å; A385-I388 PolarHBondContact O-N 3.4Å; A385-I388 VanDerWaalsContact O-N 3.15Å; A385-W389 PolarHBondContact O-N 2.85Å; A385-L415 HydrophobicContact CB-CD2 3.85Å; A385-P418 HydrophobicContact CB-CB 3.83Å; A385-Y423 HydrophobicContact CB-CE2 4Å; A385-Y423 PolarHBondContact O-OH 3.48Å
386Q97.6Very high97Very high75 Ų7566.7 Ų66.735%0.3535%0.35SS..Hα-helixtrans-61.1-38.6178.3-66.1-62.8-24.200112.9S382 T383 I388 W389 Q390 L415S382-Q386 WeakPolarHBondContact O-CG 3.43Å; S382-Q386 PolarHBondContact O-N 3.17Å; S382-Q386 VanDerWaalsContact O-N 3.16Å; T383-Q386 PolarHBondContact O-N 3Å; T383-Q386 VanDerWaalsContact O-N 3.15Å; Q386-I388 PolarHBondContact O-N 2.89Å; Q386-W389 WeakPolarHBondContact O-CB 3.46Å; Q386-W389 PolarHBondContact O-N 3.11Å; Q386-Q390 WeakPolarHBondContact O-CG 3.23Å; Q386-Q390 PolarHBondContact O-N 3.46Å; Q386-L415 PolarHBondContact NE2-O 3.47Å
387E97.9Very high96.9Very high92 Ų9263.1 Ų63.143%0.4334%0.339SS..Hα-helixtrans-58.7-46173.9-69.4169.6-17500112.3T383 R384 A385 W389 Q390 E391T383-E387 WeakPolarHBondContact O-CG 3.36Å; T383-E387 PolarHBondContact O-N 2.87Å; R384-E387 WeakPolarHBondContact CD-OE2 3.26Å; R384-E387 IonicContact CZ-OE2 3.32Å; R384-E387 IonicContact NE-OE2 2.71Å; R384-E387 IonicContact NH1-OE2 3.98Å; R384-E387 PolarHBondContact NH1-OE2 3.27Å; R384-E387 PolarHBondContact O-N 3.41Å; A385-E387 VanDerWaalsContact C-N 3.31Å; A385-E387 PolarHBondContact O-N 3.32Å; E387-W389 VanDerWaalsContact C-N 3.29Å; E387-W389 PolarHBondContact O-N 3.24Å; E387-Q390 PolarHBondContact O-N 3.08Å; E387-E391 WeakPolarHBondContact O-CB 3.47Å; E387-E391 PolarHBondContact O-N 2.67Å
388I98.4Very high96.8Very high0 Ų065.2 Ų65.20%035%0.353CS..Hα-helixtrans-62.2-39.4178.1-66.9167.4000110.6F366 A369 V370 L373 R384 A385 Q386 E391 F392 Y423F366-I388 HydrophobicContact CD2-CG2 4Å; F366-I388 HydrophobicContact CE2-CG2 3.86Å; A369-I388 HydrophobicContact CB-CD1 4.05Å; A369-I388 HydrophobicContact CB-CG1 3.97Å; A369-I388 WeakPolarHBondContact O-CD1 3.16Å; V370-I388 HydrophobicContact CG2-CG2 4.35Å; L373-I388 HydrophobicContact CB-CD1 3.9Å; L373-I388 HydrophobicContact CD2-CD1 4.2Å; L373-I388 HydrophobicContact CG-CD1 4.47Å; R384-I388 HydrophobicContact CG-CD1 4.18Å; R384-I388 VanDerWaalsContact O-CG1 3.28Å; R384-I388 WeakPolarHBondContact O-CG1 3.49Å; R384-I388 PolarHBondContact O-N 2.87Å; R384-I388 VanDerWaalsContact O-N 3.1Å; A385-I388 PolarHBondContact O-N 3.4Å; A385-I388 VanDerWaalsContact O-N 3.15Å; Q386-I388 PolarHBondContact O-N 2.89Å; I388-E391 PolarHBondContact O-N 2.96Å; I388-F392 HydrophobicContact CG2-CD2 4.02Å; I388-F392 WeakPolarHBondContact O-CD2 3.28Å; I388-F392 PolarHBondContact O-N 3.38Å; I388-F392 VanDerWaalsContact O-N 3.12Å; I388-Y423 HydrophobicContact CB-CE2 4.27Å; I388-Y423 HydrophobicContact CG2-CD1 4.38Å; I388-Y423 HydrophobicContact CG2-CE1 3.87Å; I388-Y423 HydrophobicContact CG2-CE2 4.14Å
389W97.7Very high96.7Very high33 Ų3360.1 Ų60.113%0.12533%0.329CS..Hα-helixtrans-59.3-50.7174.4-179.4-98000111.4A385 Q386 E387 E391 L393 A394 Y408 T411 L415 Y423A385-W389 PolarHBondContact O-N 2.85Å; Q386-W389 WeakPolarHBondContact O-CB 3.46Å; Q386-W389 PolarHBondContact O-N 3.11Å; E387-W389 VanDerWaalsContact C-N 3.29Å; E387-W389 PolarHBondContact O-N 3.24Å; W389-E391 VanDerWaalsContact C-N 3.3Å; W389-E391 PolarHBondContact O-N 2.95Å; W389-L393 HydrophobicContact CD2-CB 4.05Å; W389-L393 HydrophobicContact CE3-CB 3.6Å; W389-L393 HydrophobicContact CE3-CD1 3.77Å; W389-L393 HydrophobicContact CE3-CG 4.35Å; W389-L393 HydrophobicContact CH2-CB 4.3Å; W389-L393 HydrophobicContact CZ3-CB 3.75Å; W389-L393 HydrophobicContact CZ3-CD1 3.77Å; W389-L393 HydrophobicContact CZ3-CG 4.42Å; W389-L393 CarbonylContact O-C 3.38Å; W389-L393 PolarHBondContact O-N 3.35Å; W389-A394 PolarHBondContact O-N 3.16Å; W389-Y408 HydrophobicContact CH2-CD2 4.34Å; W389-Y408 HydrophobicContact CH2-CE1 4.18Å; W389-Y408 AromaticContact CH2-CE2 3.66Å; W389-Y408 HydrophobicContact CH2-CE2 3.66Å; W389-Y408 AromaticContact CH2-CZ 3.56Å; W389-Y408 HydrophobicContact CZ2-CE2 4.31Å; W389-Y408 AromaticContact CZ2-CZ 3.98Å; W389-Y408 HydrophobicContact CZ3-CE2 4.27Å; W389-T411 HydrophobicContact CE3-CG2 4.38Å; W389-T411 HydrophobicContact CZ3-CG2 4.15Å; W389-L415 HydrophobicContact CB-CD1 3.92Å; W389-L415 HydrophobicContact CD2-CD1 3.62Å; W389-L415 HydrophobicContact CE3-CD1 3.18Å; W389-L415 HydrophobicContact CG-CD1 3.96Å; W389-L415 HydrophobicContact CZ3-CD1 3.91Å; W389-Y423 WeakPolarHBondContact CA-OH 3.47Å; W389-Y423 WeakPolarHBondContact CB-OH 3.3Å; W389-Y423 PolarHBondContact N-OH 3.42Å; W389-Y423 VanDerWaalsContact N-OH 3.07Å
390Q97.8Very high96.5Very high111 Ų11156.1 Ų56.152%0.51932%0.319SS..Hα-helixtrans-63.5-35-178.5-64.5-58.6-33.500112.8Q386 E387 P398Q386-Q390 WeakPolarHBondContact O-CG 3.23Å; Q386-Q390 PolarHBondContact O-N 3.46Å; E387-Q390 PolarHBondContact O-N 3.08Å; Q390-P398 WeakPolarHBondContact O-CD 3.49Å
391E98.1Very high96.4Very high66 Ų6653.7 Ų53.731%0.30831%0.308SS..Hα-helixtrans-76.6-37.1-177.4-172.1177.5173.100113.4E387 I388 W389 P398 S399E387-E391 WeakPolarHBondContact O-CB 3.47Å; E387-E391 PolarHBondContact O-N 2.67Å; I388-E391 PolarHBondContact O-N 2.96Å; W389-E391 VanDerWaalsContact C-N 3.3Å; W389-E391 PolarHBondContact O-N 2.95Å; E391-P398 WeakPolarHBondContact O-CD 3.29Å; E391-S399 CarbonylContact O-C 3.53Å; E391-S399 PolarHBondContact O-N 3.2Å
392F97.9Very high96Very high2 Ų259.7 Ų59.71%0.00934%0.34CS..Hα-helixtrans-120.9-25.1-167.2-61.8-77.2000115.9R365 F366 A369 I388 S399 S400 I401R365-F392 HydrophobicContact CB-CE1 3.95Å; R365-F392 HydrophobicContact CB-CZ 3.94Å; F366-F392 HydrophobicContact CB-CB 4.48Å; F366-F392 HydrophobicContact CB-CD1 3.7Å; F366-F392 HydrophobicContact CB-CD2 4.28Å; F366-F392 HydrophobicContact CB-CE1 3.95Å; F366-F392 HydrophobicContact CB-CE2 4.48Å; F366-F392 HydrophobicContact CB-CG 3.9Å; F366-F392 HydrophobicContact CB-CZ 4.34Å; F366-F392 HydrophobicContact CD2-CB 3.74Å; F366-F392 HydrophobicContact CD2-CD1 4.43Å; F366-F392 AromaticContact CD2-CD2 3.87Å; F366-F392 HydrophobicContact CD2-CD2 3.87Å; F366-F392 AromaticContact CD2-CG 3.76Å; F366-F392 HydrophobicContact CD2-CG 3.76Å; F366-F392 HydrophobicContact CE2-CB 4.48Å; F366-F392 HydrophobicContact CG-CB 4.47Å; F366-F392 HydrophobicContact CG-CG 4.3Å; A369-F392 HydrophobicContact CB-CE2 4.1Å; I388-F392 HydrophobicContact CG2-CD2 4.02Å; I388-F392 WeakPolarHBondContact O-CD2 3.28Å; I388-F392 PolarHBondContact O-N 3.38Å; I388-F392 VanDerWaalsContact O-N 3.12Å; F392-S399 VanDerWaalsContact CD1-O 3.25Å; F392-S399 WeakPolarHBondContact CD1-O 3.35Å; F392-S400 WeakPolarHBondContact O-CA 3.27Å; F392-I401 HydrophobicContact CB-CG1 4.32Å; F392-I401 HydrophobicContact CD1-CG2 4.1Å; F392-I401 WeakPolarHBondContact O-CG1 3.44Å; F392-I401 PolarHBondContact O-N 2.61Å
393L96.8Very high95.8Very high12 Ų1257.9 Ų57.96%0.06333%0.325CS..THydrogen-bonded Turntrans-126.6-21.6-169.9-69.8178.2000114.7F366 W389 I401 L403 Y408 T411 Y423F366-L393 HydrophobicContact CE2-CD1 4.43Å; W389-L393 HydrophobicContact CD2-CB 4.05Å; W389-L393 HydrophobicContact CE3-CB 3.6Å; W389-L393 HydrophobicContact CE3-CD1 3.77Å; W389-L393 HydrophobicContact CE3-CG 4.35Å; W389-L393 HydrophobicContact CH2-CB 4.3Å; W389-L393 HydrophobicContact CZ3-CB 3.75Å; W389-L393 HydrophobicContact CZ3-CD1 3.77Å; W389-L393 HydrophobicContact CZ3-CG 4.42Å; W389-L393 CarbonylContact O-C 3.38Å; W389-L393 PolarHBondContact O-N 3.35Å; L393-I401 HydrophobicContact CD2-CD1 3.75Å; L393-I401 HydrophobicContact CD2-CG1 3.57Å; L393-I401 HydrophobicContact CG-CD1 4.36Å; L393-I401 HydrophobicContact CG-CG1 4.37Å; L393-L403 HydrophobicContact CD2-CB 4.37Å; L393-L403 HydrophobicContact CD2-CD2 4.25Å; L393-Y408 HydrophobicContact CB-CE2 4.29Å; L393-Y408 HydrophobicContact CD2-CD2 4.26Å; L393-Y408 WeakPolarHBondContact O-CE2 3.37Å; L393-T411 HydrophobicContact CD1-CG2 3.97Å; L393-Y423 HydrophobicContact CD1-CD1 4.31Å; L393-Y423 HydrophobicContact CD1-CE1 3.95Å
394A94.7Very high95.6Very high13 Ų1356.6 Ų56.611%0.10732%0.315CS..SBendtrans-61.4155.8177.800000112.1W389 G396 A397W389-A394 PolarHBondContact O-N 3.16Å; A394-G396 PolarHBondContact O-N 2.84Å; A394-A397 WeakPolarHBondContact O-CB 3.5Å; A394-A397 PolarHBondContact O-N 3.14Å
395E92.1Very high95.3Very high197 Ų19758.3 Ų58.392%0.92134%0.335SS*.THydrogen-bonded Turntrans-61.9122.2174.1-170.1175.9-179.800110A397E395-A397 VanDerWaalsContact C-N 3.35Å
396G92.4Very high95.1Very high80 Ų8063.7 Ų63.783%0.82536%0.36SS*.THydrogen-bonded Turntrans76.318.1-173.900000114.7A394A394-G396 PolarHBondContact O-N 2.84Å
397A95.3Very high95Very high11 Ų1160.5 Ų60.59%0.09135%0.346CS..  trans-53.4137.3177.400000112.4A394 E395 S399 S400A394-A397 WeakPolarHBondContact O-CB 3.5Å; A394-A397 PolarHBondContact O-N 3.14Å; E395-A397 VanDerWaalsContact C-N 3.35Å; A397-S399 PolarHBondContact O-N 3.3Å; A397-S400 PolarHBondContact O-N 3.02Å
398P94.1Very high94.9Very high109 Ų10960.3 Ų60.371%0.70834%0.342SS*.THydrogen-bonded Turntrans-67.3-21.9-175.727.9-36.2000113.7Q390 E391Q390-P398 WeakPolarHBondContact O-CD 3.49Å; E391-P398 WeakPolarHBondContact O-CD 3.29Å
399S95.1Very high94.7Very high28 Ų2866.5 Ų66.520%0.19637%0.371CS..THydrogen-bonded Turntrans-131.850.4176.8-680000110.3E391 F392 A397 I401E391-S399 CarbonylContact O-C 3.53Å; E391-S399 PolarHBondContact O-N 3.2Å; F392-S399 VanDerWaalsContact CD1-O 3.25Å; F392-S399 WeakPolarHBondContact CD1-O 3.35Å; A397-S399 PolarHBondContact O-N 3.3Å; S399-I401 PolarHBondContact O-N 3.4Å
400S94.3Very high94.6Very high81 Ų8170.9 Ų70.957%0.56639%0.387SS*.PPolyproline II helixtrans-54.8123.6-176.862.40000112.6F392 A397F392-S400 WeakPolarHBondContact O-CA 3.27Å; A397-S400 PolarHBondContact O-N 3.02Å
401I95.5Very high94.5Very high18 Ų1865.6 Ų65.69%0.09236%0.363CS..PPolyproline II helixtrans-92.9153.7174.457.8168000111.4E362 F366 F392 L393 S399 L403 I430E362-I401 HydrophobicContact CB-CG2 4.06Å; E362-I401 HydrophobicContact CG-CG2 3.86Å; F366-I401 HydrophobicContact CB-CD1 4.28Å; F366-I401 HydrophobicContact CB-CG2 4.06Å; F366-I401 HydrophobicContact CD1-CD1 3.59Å; F366-I401 HydrophobicContact CD2-CD1 3.81Å; F366-I401 HydrophobicContact CE1-CD1 3.75Å; F366-I401 HydrophobicContact CE2-CD1 3.98Å; F366-I401 HydrophobicContact CG-CD1 3.61Å; F366-I401 HydrophobicContact CZ-CD1 3.94Å; F392-I401 HydrophobicContact CB-CG1 4.32Å; F392-I401 HydrophobicContact CD1-CG2 4.1Å; F392-I401 WeakPolarHBondContact O-CG1 3.44Å; F392-I401 PolarHBondContact O-N 2.61Å; L393-I401 HydrophobicContact CD2-CD1 3.75Å; L393-I401 HydrophobicContact CD2-CG1 3.57Å; L393-I401 HydrophobicContact CG-CD1 4.36Å; L393-I401 HydrophobicContact CG-CG1 4.37Å; S399-I401 PolarHBondContact O-N 3.4Å; I401-L403 HydrophobicContact CD1-CD1 4.1Å; I401-I430 HydrophobicContact CB-CD1 4.25Å; I401-I430 HydrophobicContact CD1-CD1 3.89Å; I401-I430 HydrophobicContact CD1-CG1 3.83Å
402N89.8Confident94.4Very high128 Ų12864.9 Ų64.968%0.68437%0.365SS*.PPolyproline II helixtrans-85.7116.9172.4-171.110.8000110I430N402-I430 WeakPolarHBondContact O-CD1 3.36Å
403L93Very high94.3Very high22 Ų2270 Ų7012%0.11539%0.389CS..  trans-129.8142.8-178.4-151.685000109.8L393 I401 A426 H429 I430L393-L403 HydrophobicContact CD2-CB 4.37Å; L393-L403 HydrophobicContact CD2-CD2 4.25Å; I401-L403 HydrophobicContact CD1-CD1 4.1Å; L403-A426 HydrophobicContact CD1-CB 3.83Å; L403-A426 HydrophobicContact CD2-CB 3.71Å; L403-A426 HydrophobicContact CG-CB 4.42Å; L403-H429 HydrophobicContact CD1-CB 4.31Å; L403-I430 HydrophobicContact CD1-CD1 3.93Å; L403-I430 HydrophobicContact CD1-CG1 3.79Å
404D92.6Very high94.2Very high61 Ų6171.9 Ų71.933%0.32640%0.399SS..  trans-65.8154.8172.868.751.5000112.3H406 S407 Y408 H429D404-H406 VanDerWaalsContact C-N 3.3Å; D404-H406 PolarHBondContact O-N 3.22Å; D404-H406 PolarHBondContact OD1-N 2.87Å; D404-S407 PolarHBondContact O-N 3.01Å; D404-S407 WeakPolarHBondContact OD1-CB 3.37Å; D404-S407 PolarHBondContact OD1-N 2.8Å; D404-S407 PolarHBondContact OD1-OG 2.94Å; D404-S407 PolarHBondContact OD2-OG 3.4Å; D404-Y408 WeakPolarHBondContact O-CB 3.5Å; D404-Y408 PolarHBondContact O-N 2.89Å; D404-H429 IonicContact OD2-CE1 3.83Å; D404-H429 PolarHBondContact OD2-CE1 2.93Å; D404-H429 IonicContact OD2-CG 2.77Å; D404-H429 IonicContact OD2-ND1 3.23Å; D404-H429 PolarHBondContact OD2-ND1 2.91Å
405S92.8Very high94.2Very high86 Ų8672 Ų7260%0.60140%0.397SS*.Hα-helixtrans-60-39.8-174.556.10000112.6Y408 E409S405-Y408 PolarHBondContact O-N 2.97Å; S405-E409 WeakPolarHBondContact O-CB 3.26Å; S405-E409 VanDerWaalsContact O-CG 3.31Å; S405-E409 WeakPolarHBondContact O-CG 3.35Å; S405-E409 PolarHBondContact O-N 3.41Å
406H94.1Very high94.3Very high112 Ų11269.9 Ų69.952%0.51939%0.385SS..Hα-helixtrans-62.1-48.2179.9172.1-88000111.8D404 Y408 E409 R410D404-H406 VanDerWaalsContact C-N 3.3Å; D404-H406 PolarHBondContact O-N 3.22Å; D404-H406 PolarHBondContact OD1-N 2.87Å; H406-Y408 VanDerWaalsContact C-N 3.31Å; H406-Y408 PolarHBondContact O-N 3Å; H406-E409 PolarHBondContact O-N 3.21Å; H406-R410 WeakPolarHBondContact O-CB 3.46Å; H406-R410 PolarHBondContact O-N 2.91Å
407S94.9Very high94.4Very high8 Ų872.8 Ų72.86%0.05638%0.382CS..Hα-helixtrans-67.3-34.9179.6-55.70000111.3D404 T411D404-S407 PolarHBondContact O-N 3.01Å; D404-S407 WeakPolarHBondContact OD1-CB 3.37Å; D404-S407 PolarHBondContact OD1-N 2.8Å; D404-S407 PolarHBondContact OD1-OG 2.94Å; D404-S407 PolarHBondContact OD2-OG 3.4Å; S407-T411 VanDerWaalsContact O-CB 3.3Å; S407-T411 WeakPolarHBondContact O-CB 3.45Å; S407-T411 PolarHBondContact O-N 2.94Å; S407-T411 PolarHBondContact O-OG1 3.47Å
408Y95.7Very high94.4Very high89 Ų8973.4 Ų73.435%0.34939%0.385SS..Hα-helixtrans-66-50.4176.5-177-91.3000111.5W389 L393 D404 S405 H406 R410 T411 S412W389-Y408 HydrophobicContact CH2-CD2 4.34Å; W389-Y408 HydrophobicContact CH2-CE1 4.18Å; W389-Y408 AromaticContact CH2-CE2 3.66Å; W389-Y408 HydrophobicContact CH2-CE2 3.66Å; W389-Y408 AromaticContact CH2-CZ 3.56Å; W389-Y408 HydrophobicContact CZ2-CE2 4.31Å; W389-Y408 AromaticContact CZ2-CZ 3.98Å; W389-Y408 HydrophobicContact CZ3-CE2 4.27Å; L393-Y408 HydrophobicContact CB-CE2 4.29Å; L393-Y408 HydrophobicContact CD2-CD2 4.26Å; L393-Y408 WeakPolarHBondContact O-CE2 3.37Å; D404-Y408 WeakPolarHBondContact O-CB 3.5Å; D404-Y408 PolarHBondContact O-N 2.89Å; S405-Y408 PolarHBondContact O-N 2.97Å; H406-Y408 VanDerWaalsContact C-N 3.31Å; H406-Y408 PolarHBondContact O-N 3Å; Y408-R410 PolarHBondContact O-N 2.7Å; Y408-T411 PolarHBondContact O-N 3.36Å; Y408-S412 WeakPolarHBondContact O-CB 3.46Å; Y408-S412 PolarHBondContact O-N 2.9Å
409E95Very high94.4Very high130 Ų13069.4 Ų69.461%0.60736%0.364SS*.Hα-helixtrans-59.6-45.4178.4-75.2173-162.600111.7S405 H406 S412 Q413S405-E409 WeakPolarHBondContact O-CB 3.26Å; S405-E409 VanDerWaalsContact O-CG 3.31Å; S405-E409 WeakPolarHBondContact O-CG 3.35Å; S405-E409 PolarHBondContact O-N 3.41Å; H406-E409 PolarHBondContact O-N 3.21Å; E409-S412 WeakPolarHBondContact O-CB 3.5Å; E409-S412 PolarHBondContact O-N 2.87Å; E409-Q413 PolarHBondContact O-N 3.24Å
410R95.1Very high94.5Very high125 Ų12572 Ų7247%0.47237%0.369SS..Hα-helixtrans-63.9-44.2178.5-175.2159.4170150.5-3.1112.2H406 Y408 Q413 N414 D425H406-R410 WeakPolarHBondContact O-CB 3.46Å; H406-R410 PolarHBondContact O-N 2.91Å; Y408-R410 PolarHBondContact O-N 2.7Å; R410-Q413 PolarHBondContact O-N 3.36Å; R410-N414 WeakPolarHBondContact O-CB 3.3Å; R410-N414 PolarHBondContact O-N 3.35Å; R410-N414 PolarHBondContact O-ND2 2.87Å; R410-N414 PolarHBondContact O-OD1 2.95Å; R410-D425 VanDerWaalsContact CD-OD1 3.3Å; R410-D425 WeakPolarHBondContact CD-OD1 3.43Å; R410-D425 VanDerWaalsContact CD-OD2 3.26Å; R410-D425 WeakPolarHBondContact CD-OD2 3.34Å; R410-D425 IonicContact CZ-OD1 3.42Å; R410-D425 IonicContact CZ-OD2 3.11Å; R410-D425 IonicContact NE-OD1 2.8Å; R410-D425 PolarHBondContact NE-OD1 2.99Å; R410-D425 IonicContact NE-OD2 3.17Å; R410-D425 PolarHBondContact NE-OD2 2.87Å; R410-D425 IonicContact NH1-OD1 2.74Å; R410-D425 IonicContact NH2-OD1 3.22Å; R410-D425 IonicContact NH2-OD2 3.13Å
411T96.1Very high94.7Very high0 Ų075.2 Ų75.20%037%0.37CS..Hα-helixtrans-62.5-43.5176-57.50000111.2W389 L393 S407 Y408 Q413 N414 L415 Y423 A426W389-T411 HydrophobicContact CE3-CG2 4.38Å; W389-T411 HydrophobicContact CZ3-CG2 4.15Å; L393-T411 HydrophobicContact CD1-CG2 3.97Å; S407-T411 VanDerWaalsContact O-CB 3.3Å; S407-T411 WeakPolarHBondContact O-CB 3.45Å; S407-T411 PolarHBondContact O-N 2.94Å; S407-T411 PolarHBondContact O-OG1 3.47Å; Y408-T411 PolarHBondContact O-N 3.36Å; T411-Q413 VanDerWaalsContact C-N 3.35Å; T411-Q413 PolarHBondContact O-N 3.28Å; T411-N414 PolarHBondContact O-N 3.07Å; T411-L415 HydrophobicContact CG2-CD1 4.16Å; T411-L415 WeakPolarHBondContact O-CG 3.31Å; T411-L415 PolarHBondContact O-N 3.23Å; T411-Y423 HydrophobicContact CG2-CD1 3.46Å; T411-Y423 VanDerWaalsContact CG2-CD1 3.46Å; T411-Y423 HydrophobicContact CG2-CE1 3.58Å; T411-Y423 HydrophobicContact CG2-CG 4.29Å; T411-A426 WeakPolarHBondContact OG1-CB 3.49Å
412S95.6Very high94.7Very high51 Ų5174.7 Ų74.736%0.35737%0.368SS..Hα-helixtrans-59.1-44.1176-179.60000112.1Y408 E409 L415Y408-S412 WeakPolarHBondContact O-CB 3.46Å; Y408-S412 PolarHBondContact O-N 2.9Å; E409-S412 WeakPolarHBondContact O-CB 3.5Å; E409-S412 PolarHBondContact O-N 2.87Å; S412-L415 PolarHBondContact O-N 3.48Å
413Q95.8Very high95.1Very high110 Ų11068.6 Ų68.651%0.51434%0.335SS..Hα-helixtrans-64.9-42.3175.6-176.264.519.500112E409 R410 T411 L415 K416E409-Q413 PolarHBondContact O-N 3.24Å; R410-Q413 PolarHBondContact O-N 3.36Å; T411-Q413 VanDerWaalsContact C-N 3.35Å; T411-Q413 PolarHBondContact O-N 3.28Å; Q413-L415 PolarHBondContact O-N 3.18Å; Q413-K416 WeakPolarHBondContact O-CB 3.39Å; Q413-K416 PolarHBondContact O-N 3.25Å; Q413-K416 VanDerWaalsContact OE1-CE 3.25Å
414N95Very high95.3Very high50 Ų5072 Ų7227%0.26735%0.351SS..Hα-helixtrans-64.6-22.9177.9-68.2-17.1000113.2R410 T411 K416 D417 S422R410-N414 WeakPolarHBondContact O-CB 3.3Å; R410-N414 PolarHBondContact O-N 3.35Å; R410-N414 PolarHBondContact O-ND2 2.87Å; R410-N414 PolarHBondContact O-OD1 2.95Å; T411-N414 PolarHBondContact O-N 3.07Å; N414-K416 VanDerWaalsContact C-N 3.31Å; N414-D417 CarbonylContact O-C 3.56Å; N414-S422 WeakPolarHBondContact CB-O 3.5Å; N414-S422 PolarHBondContact ND2-O 3.3Å; N414-S422 VanDerWaalsContact ND2-O 3.07Å; N414-S422 PolarHBondContact O-OG 3.13Å
415L94.6Very high95.4Very high15 Ų1570.7 Ų70.78%0.07934%0.343CS..THydrogen-bonded Turntrans-84.7-2.2178.4-73170.6000113.8A385 Q386 W389 T411 S412 Q413 P418 Y423A385-L415 HydrophobicContact CB-CD2 3.85Å; Q386-L415 PolarHBondContact NE2-O 3.47Å; W389-L415 HydrophobicContact CB-CD1 3.92Å; W389-L415 HydrophobicContact CD2-CD1 3.62Å; W389-L415 HydrophobicContact CE3-CD1 3.18Å; W389-L415 HydrophobicContact CG-CD1 3.96Å; W389-L415 HydrophobicContact CZ3-CD1 3.91Å; T411-L415 HydrophobicContact CG2-CD1 4.16Å; T411-L415 WeakPolarHBondContact O-CG 3.31Å; T411-L415 PolarHBondContact O-N 3.23Å; S412-L415 PolarHBondContact O-N 3.48Å; Q413-L415 PolarHBondContact O-N 3.18Å; L415-P418 HydrophobicContact CD2-CB 4.26Å; L415-P418 HydrophobicContact CD2-CG 4.35Å; L415-P418 WeakPolarHBondContact O-CD 3.43Å; L415-P418 WeakPolarHBondContact O-CG 2.98Å; L415-Y423 HydrophobicContact CD1-CE1 4.24Å; L415-Y423 WeakPolarHBondContact CD1-OH 3.43Å; L415-Y423 HydrophobicContact CD2-CE2 3.93Å
416K94Very high95.7Very high154 Ų15466.6 Ų66.667%0.6732%0.315SS*.THydrogen-bonded Turntrans-66.4-30.9166.1-66.7-179.6177.91720111.8Q413 N414Q413-K416 WeakPolarHBondContact O-CB 3.39Å; Q413-K416 PolarHBondContact O-N 3.25Å; Q413-K416 VanDerWaalsContact OE1-CE 3.25Å; N414-K416 VanDerWaalsContact C-N 3.31Å
417D93.7Very high95.8Very high140 Ų14061.7 Ų61.775%0.74929%0.292SS*.SBendtrans-135.282.5171.4-174.820.7000109.3N414 G419N414-D417 CarbonylContact O-C 3.56Å; D417-G419 PolarHBondContact O-N 3.21Å
418P94.9Very high95.9Very high25 Ų2566 Ų6616%0.16231%0.312CS..  trans-64.4130.8-170.4-22.532.7000113.9A385 L415A385-P418 HydrophobicContact CB-CB 3.83Å; L415-P418 HydrophobicContact CD2-CB 4.26Å; L415-P418 HydrophobicContact CD2-CG 4.35Å; L415-P418 WeakPolarHBondContact O-CD 3.43Å; L415-P418 WeakPolarHBondContact O-CG 2.98Å
419G95.1Very high95.9Very high25 Ų2564.4 Ų64.426%0.25831%0.307SS..  trans-13517817400000112.4D417 Y421 S422D417-G419 PolarHBondContact O-N 3.21Å; G419-Y421 PolarHBondContact O-N 2.82Å; G419-Y421 VanDerWaalsContact O-N 3.07Å; G419-S422 PolarHBondContact N-OG 3.37Å; G419-S422 PolarHBondContact O-N 3.42Å; G419-S422 PolarHBondContact O-OG 2.91Å
420R97.4Very high96Very high83 Ų8358.2 Ų58.231%0.31328%0.278SS..THydrogen-bonded Turntrans-60.4-22.2-178.5-67.6-178.8-176-134.72.8113.7K374 R376 V381K374-R420 WeakPolarHBondContact CG-O 3.37Å; K374-R420 PolarHBondContact O-NH1 3.26Å; R376-R420 VanDerWaalsContact O-CZ 3.23Å; R376-R420 PolarHBondContact O-NH2 2.89Å; V381-R420 HydrophobicContact CG1-CG 4.24Å; V381-R420 HydrophobicContact CG2-CG 3.92Å
421Y97.2Very high96.1Very high147 Ų14753.7 Ų53.758%0.57626%0.262SS*.THydrogen-bonded Turntrans-109.710.1-175.4-54.8-81.4000112.8G419 Y423 E424G419-Y421 PolarHBondContact O-N 2.82Å; G419-Y421 VanDerWaalsContact O-N 3.07Å; Y421-Y423 PolarHBondContact O-N 2.76Å; Y421-Y423 VanDerWaalsContact O-N 3.09Å; Y421-E424 WeakPolarHBondContact O-CB 3.29Å; Y421-E424 PolarHBondContact O-N 3.16Å; Y421-E424 VanDerWaalsContact O-N 3.08Å
422S97.3Very high96.1Very high7 Ų759.2 Ų59.25%0.04929%0.286CS..THydrogen-bonded Turntrans-60.1-25.7-177-67.40000114.1N414 G419N414-S422 WeakPolarHBondContact CB-O 3.5Å; N414-S422 PolarHBondContact ND2-O 3.3Å; N414-S422 VanDerWaalsContact ND2-O 3.07Å; N414-S422 PolarHBondContact O-OG 3.13Å; G419-S422 PolarHBondContact N-OG 3.37Å; G419-S422 PolarHBondContact O-N 3.42Å; G419-S422 PolarHBondContact O-OG 2.91Å
423Y98Very high96.1Very high0 Ų059.6 Ų59.60%028%0.284CS..THydrogen-bonded Turntrans-102.913.9179.7-67.1-84.4000114F366 V370 L373 A385 I388 W389 L393 T411 L415 Y421 D425 A426 Q427F366-Y423 AromaticContact CE2-CD1 3.88Å; F366-Y423 HydrophobicContact CE2-CD1 3.88Å; F366-Y423 HydrophobicContact CE2-CE1 4.25Å; F366-Y423 AromaticContact CZ-CD1 3.94Å; F366-Y423 HydrophobicContact CZ-CD1 3.94Å; V370-Y423 HydrophobicContact CG2-CD1 4.39Å; V370-Y423 HydrophobicContact CG2-CD2 4.38Å; V370-Y423 HydrophobicContact CG2-CG 3.92Å; L373-Y423 HydrophobicContact CD2-CD2 3.58Å; L373-Y423 HydrophobicContact CD2-CE2 3.88Å; A385-Y423 HydrophobicContact CB-CE2 4Å; A385-Y423 PolarHBondContact O-OH 3.48Å; I388-Y423 HydrophobicContact CB-CE2 4.27Å; I388-Y423 HydrophobicContact CG2-CD1 4.38Å; I388-Y423 HydrophobicContact CG2-CE1 3.87Å; I388-Y423 HydrophobicContact CG2-CE2 4.14Å; W389-Y423 WeakPolarHBondContact CA-OH 3.47Å; W389-Y423 WeakPolarHBondContact CB-OH 3.3Å; W389-Y423 PolarHBondContact N-OH 3.42Å; W389-Y423 VanDerWaalsContact N-OH 3.07Å; L393-Y423 HydrophobicContact CD1-CD1 4.31Å; L393-Y423 HydrophobicContact CD1-CE1 3.95Å; T411-Y423 HydrophobicContact CG2-CD1 3.46Å; T411-Y423 VanDerWaalsContact CG2-CD1 3.46Å; T411-Y423 HydrophobicContact CG2-CE1 3.58Å; T411-Y423 HydrophobicContact CG2-CG 4.29Å; L415-Y423 HydrophobicContact CD1-CE1 4.24Å; L415-Y423 WeakPolarHBondContact CD1-OH 3.43Å; L415-Y423 HydrophobicContact CD2-CE2 3.93Å; Y421-Y423 PolarHBondContact O-N 2.76Å; Y421-Y423 VanDerWaalsContact O-N 3.09Å; Y423-D425 PolarHBondContact O-N 3.33Å; Y423-A426 PolarHBondContact O-N 3.19Å; Y423-Q427 WeakPolarHBondContact O-CB 3.29Å; Y423-Q427 PolarHBondContact O-N 2.8Å
424E96.4Very high96.1Very high94 Ų9454.3 Ų54.344%0.43926%0.259SS..Hα-helixtrans-59.2-47.9-172.4-173.7150.4-133.500113Y421 Q427 E428Y421-E424 WeakPolarHBondContact O-CB 3.29Å; Y421-E424 PolarHBondContact O-N 3.16Å; Y421-E424 VanDerWaalsContact O-N 3.08Å; E424-Q427 PolarHBondContact O-N 3.28Å; E424-E428 WeakPolarHBondContact O-CB 3.4Å; E424-E428 PolarHBondContact O-N 3.33Å
425D95.8Very high96.2Very high33 Ų3356.2 Ų56.218%0.17627%0.265CS..Hα-helixtrans-61.2-47.8177-57.6-94.8000111.9R410 Y423 Q427 E428 H429R410-D425 VanDerWaalsContact CD-OD1 3.3Å; R410-D425 WeakPolarHBondContact CD-OD1 3.43Å; R410-D425 VanDerWaalsContact CD-OD2 3.26Å; R410-D425 WeakPolarHBondContact CD-OD2 3.34Å; R410-D425 IonicContact CZ-OD1 3.42Å; R410-D425 IonicContact CZ-OD2 3.11Å; R410-D425 IonicContact NE-OD1 2.8Å; R410-D425 PolarHBondContact NE-OD1 2.99Å; R410-D425 IonicContact NE-OD2 3.17Å; R410-D425 PolarHBondContact NE-OD2 2.87Å; R410-D425 IonicContact NH1-OD1 2.74Å; R410-D425 IonicContact NH2-OD1 3.22Å; R410-D425 IonicContact NH2-OD2 3.13Å; Y423-D425 PolarHBondContact O-N 3.33Å; D425-Q427 PolarHBondContact O-N 3.37Å; D425-E428 PolarHBondContact O-N 3.35Å; D425-H429 PolarHBondContact O-N 3.43Å
426A97.3Very high96.2Very high0 Ų059.9 Ų59.90%029%0.292CS..Hα-helixtrans-64.4-41.5178.900000112.4F366 L403 T411 Y423 H429 I430F366-A426 HydrophobicContact CE1-CB 4.23Å; F366-A426 HydrophobicContact CZ-CB 3.83Å; L403-A426 HydrophobicContact CD1-CB 3.83Å; L403-A426 HydrophobicContact CD2-CB 3.71Å; L403-A426 HydrophobicContact CG-CB 4.42Å; T411-A426 WeakPolarHBondContact OG1-CB 3.49Å; Y423-A426 PolarHBondContact O-N 3.19Å; A426-H429 PolarHBondContact O-N 3Å; A426-I430 WeakPolarHBondContact O-CG1 3.46Å; A426-I430 PolarHBondContact O-N 2.98Å
427Q97.6Very high96.3Very high9 Ų955.7 Ų55.74%0.04228%0.277CS..Hα-helixtrans-64.6-41.7178.1-174.5-179.843.100111.5W367 V370 Y423 E424 D425 F431W367-Q427 VanDerWaalsContact CD1-CG 3.41Å; W367-Q427 HydrophobicContact CG-CG 4.27Å; W367-Q427 PolarHBondContact O-NE2 3.14Å; V370-Q427 HydrophobicContact CB-CB 4.49Å; V370-Q427 HydrophobicContact CB-CG 4.34Å; V370-Q427 HydrophobicContact CG1-CB 4.03Å; V370-Q427 VanDerWaalsContact CG1-CD 3.44Å; V370-Q427 HydrophobicContact CG1-CG 4.11Å; Y423-Q427 WeakPolarHBondContact O-CB 3.29Å; Y423-Q427 PolarHBondContact O-N 2.8Å; E424-Q427 PolarHBondContact O-N 3.28Å; D425-Q427 PolarHBondContact O-N 3.37Å; Q427-F431 VanDerWaalsContact O-CB 3.23Å; Q427-F431 WeakPolarHBondContact O-CB 3.28Å; Q427-F431 PolarHBondContact O-N 2.68Å
428E96.6Very high96.4Very high100 Ų10049.2 Ų49.247%0.46724%0.243SC..Hα-helixtrans-64.3-43.1177.1-173.2-180179.200111.4E424 D425 F431 K432E424-E428 WeakPolarHBondContact O-CB 3.4Å; E424-E428 PolarHBondContact O-N 3.33Å; D425-E428 PolarHBondContact O-N 3.35Å; E428-F431 PolarHBondContact O-N 2.71Å; E428-K432 HydrophobicContact CG-CD 4.31Å; E428-K432 WeakPolarHBondContact O-CG 3.29Å; E428-K432 PolarHBondContact O-N 2.93Å; E428-K432 WeakPolarHBondContact OE1-CE 3.17Å; E428-K432 IonicContact OE1-NZ 3.33Å; E428-K432 PolarHBondContact OE1-NZ 2.96Å
429H96.3Very high96.6Very high54 Ų5448.9 Ų48.925%0.2524%0.238CC..Hα-helixtrans-57.2-54.1175.4-177.693.5000111.4L403 D404 D425 A426 F431 K432 L433L403-H429 HydrophobicContact CD1-CB 4.31Å; D404-H429 IonicContact OD2-CE1 3.83Å; D404-H429 PolarHBondContact OD2-CE1 2.93Å; D404-H429 IonicContact OD2-CG 2.77Å; D404-H429 IonicContact OD2-ND1 3.23Å; D404-H429 PolarHBondContact OD2-ND1 2.91Å; D425-H429 PolarHBondContact O-N 3.43Å; A426-H429 PolarHBondContact O-N 3Å; H429-F431 VanDerWaalsContact C-N 3.32Å; H429-F431 PolarHBondContact O-N 3.04Å; H429-K432 PolarHBondContact O-N 3.26Å; H429-L433 PolarHBondContact O-N 3.16Å
430I96.9Very high96.7Very high0 Ų049.4 Ų49.40%024%0.24CC..Hα-helixtrans-63.8-37.5-179.4-64.8-63.1000111.8N363 F366 I401 N402 L403 A426 L433 M434N363-I430 HydrophobicContact CB-CG2 3.81Å; N363-I430 WeakPolarHBondContact O-CG2 3.34Å; F366-I430 HydrophobicContact CD1-CB 4.16Å; F366-I430 HydrophobicContact CD1-CG1 3.86Å; F366-I430 HydrophobicContact CD1-CG2 4.18Å; F366-I430 HydrophobicContact CE1-CB 4.33Å; F366-I430 HydrophobicContact CE1-CG1 3.89Å; I401-I430 HydrophobicContact CB-CD1 4.25Å; I401-I430 HydrophobicContact CD1-CD1 3.89Å; I401-I430 HydrophobicContact CD1-CG1 3.83Å; N402-I430 WeakPolarHBondContact O-CD1 3.36Å; L403-I430 HydrophobicContact CD1-CD1 3.93Å; L403-I430 HydrophobicContact CD1-CG1 3.79Å; A426-I430 WeakPolarHBondContact O-CG1 3.46Å; A426-I430 PolarHBondContact O-N 2.98Å; I430-L433 HydrophobicContact CD1-CD2 4.43Å; I430-L433 PolarHBondContact O-N 3.12Å; I430-M434 HydrophobicContact CG2-CE 4.15Å; I430-M434 WeakPolarHBondContact O-CG 3.48Å; I430-M434 PolarHBondContact O-N 3.07Å
431F97.1Very high96.7Very high30 Ų3049.2 Ų49.213%0.13224%0.239CC..Hα-helixtrans-61.9-47175.4-176.4-96.7000112.1L338 E339 L342 W367 Q427 E428 H429 L433 M434 K435L338-F431 HydrophobicContact CB-CZ 4.26Å; L338-F431 HydrophobicContact CD2-CD2 4.05Å; L338-F431 HydrophobicContact CD2-CE2 3.62Å; L338-F431 HydrophobicContact CD2-CZ 3.93Å; L338-F431 HydrophobicContact CG-CE2 3.88Å; L338-F431 HydrophobicContact CG-CZ 4.13Å; E339-F431 HydrophobicContact CG-CE1 4.49Å; E339-F431 HydrophobicContact CG-CE2 4.47Å; E339-F431 HydrophobicContact CG-CZ 3.71Å; E339-F431 VanDerWaalsContact OE1-CE1 3.32Å; E339-F431 WeakPolarHBondContact OE1-CE1 3.27Å; E339-F431 VanDerWaalsContact OE1-CZ 3.29Å; E339-F431 WeakPolarHBondContact OE1-CZ 3.4Å; L342-F431 HydrophobicContact CD1-CD2 4.33Å; L342-F431 HydrophobicContact CD1-CE2 3.89Å; W367-F431 AromaticContact CE2-CD2 3.86Å; W367-F431 HydrophobicContact CZ2-CD2 4.19Å; W367-F431 HydrophobicContact CZ2-CE2 4.37Å; W367-F431 AromaticContact NE1-CD2 3.41Å; W367-F431 AromaticContact NE1-CG 3.96Å; Q427-F431 VanDerWaalsContact O-CB 3.23Å; Q427-F431 WeakPolarHBondContact O-CB 3.28Å; Q427-F431 PolarHBondContact O-N 2.68Å; E428-F431 PolarHBondContact O-N 2.71Å; H429-F431 VanDerWaalsContact C-N 3.32Å; H429-F431 PolarHBondContact O-N 3.04Å; F431-L433 VanDerWaalsContact C-N 3.35Å; F431-M434 PolarHBondContact O-N 2.82Å; F431-K435 HydrophobicContact CE1-CD 3.86Å; F431-K435 HydrophobicContact CZ-CD 4.39Å; F431-K435 VanDerWaalsContact O-CB 3.27Å; F431-K435 WeakPolarHBondContact O-CB 3.33Å; F431-K435 PolarHBondContact O-N 3.31Å
432K95.9Very high96.8Very high116 Ų11642.2 Ų42.250%0.50421%0.212SC..Hα-helixtrans-62.2-42.7176.8-73.8174.6-175.8166.80111.5E428 H429 K435 S436E428-K432 HydrophobicContact CG-CD 4.31Å; E428-K432 WeakPolarHBondContact O-CG 3.29Å; E428-K432 PolarHBondContact O-N 2.93Å; E428-K432 WeakPolarHBondContact OE1-CE 3.17Å; E428-K432 IonicContact OE1-NZ 3.33Å; E428-K432 PolarHBondContact OE1-NZ 2.96Å; H429-K432 PolarHBondContact O-N 3.26Å; K432-K435 PolarHBondContact O-N 2.81Å; K432-S436 PolarHBondContact O-N 3.38Å; K432-S436 PolarHBondContact O-OG 2.99Å
433L95.1Very high96.8Very high59 Ų5943.6 Ų43.631%0.30922%0.218SC..Hα-helixtrans-57.1-52.9176.6-179.464.2000111.4H429 I430 F431 K435 S436 D437H429-L433 PolarHBondContact O-N 3.16Å; I430-L433 HydrophobicContact CD1-CD2 4.43Å; I430-L433 PolarHBondContact O-N 3.12Å; F431-L433 VanDerWaalsContact C-N 3.35Å; L433-K435 VanDerWaalsContact C-N 3.32Å; L433-K435 PolarHBondContact O-N 2.87Å; L433-S436 PolarHBondContact O-N 2.9Å; L433-S436 PolarHBondContact O-OG 3.41Å; L433-D437 PolarHBondContact O-N 3.35Å; L433-D437 VanDerWaalsContact O-N 3.09Å
434M96.6Very high96.7Very high0 Ų052.1 Ų52.10%025%0.251CS..Hα-helixtrans-60.1-41.9176.3-70.2-170.6-63.200111.7L338 F351 N363 L364 W367 I430 F431 S436 S438 Y439L338-M434 HydrophobicContact CD2-CB 3.98Å; F351-M434 HydrophobicContact CE1-SD 4.29Å; N363-M434 HydrophobicContact CB-CG 3.96Å; N363-M434 HydrophobicContact CB-SD 3.93Å; L364-M434 HydrophobicContact CB-SD 3.92Å; L364-M434 HydrophobicContact CD1-CE 4.49Å; L364-M434 HydrophobicContact CD1-SD 4.39Å; W367-M434 HydrophobicContact CB-CE 3.87Å; W367-M434 HydrophobicContact CG-CE 4Å; I430-M434 HydrophobicContact CG2-CE 4.15Å; I430-M434 WeakPolarHBondContact O-CG 3.48Å; I430-M434 PolarHBondContact O-N 3.07Å; F431-M434 PolarHBondContact O-N 2.82Å; M434-S436 PolarHBondContact O-N 3.15Å; M434-S438 PolarHBondContact O-N 3.28Å; M434-Y439 WeakPolarHBondContact O-CB 3.48Å; M434-Y439 PolarHBondContact O-N 3.49Å
435K96.9Very high96.7Very high90 Ų9048.5 Ų48.539%0.39124%0.236SC..Hα-helixtrans-63.1-42.2-178.6-173.2168.3-175.6161.50112.4L338 E339 F431 K432 L433L338-K435 HydrophobicContact CB-CG 4.36Å; L338-K435 HydrophobicContact CD2-CB 3.87Å; E339-K435 IonicContact OE1-NZ 3.7Å; E339-K435 PolarHBondContact OE1-NZ 3.04Å; E339-K435 IonicContact OE2-NZ 3.01Å; E339-K435 PolarHBondContact OE2-NZ 3.11Å; F431-K435 HydrophobicContact CE1-CD 3.86Å; F431-K435 HydrophobicContact CZ-CD 4.39Å; F431-K435 VanDerWaalsContact O-CB 3.27Å; F431-K435 WeakPolarHBondContact O-CB 3.33Å; F431-K435 PolarHBondContact O-N 3.31Å; K432-K435 PolarHBondContact O-N 2.81Å; L433-K435 VanDerWaalsContact C-N 3.32Å; L433-K435 PolarHBondContact O-N 2.87Å
436S95.4Very high96.6Very high91 Ų9152.8 Ų52.864%0.63626%0.259SS*.Hα-helixtrans-81-26.7-177.854.80000114.4K432 L433 M434K432-S436 PolarHBondContact O-N 3.38Å; K432-S436 PolarHBondContact O-OG 2.99Å; L433-S436 PolarHBondContact O-N 2.9Å; L433-S436 PolarHBondContact O-OG 3.41Å; M434-S436 PolarHBondContact O-N 3.15Å
437D95.3Very high96.4Very high67 Ų6755.3 Ų55.336%0.35827%0.272SS..THydrogen-bonded Turntrans-117-78.3-175.6178.941.6000112.7L433 Y439 A440 R441L433-D437 PolarHBondContact O-N 3.35Å; L433-D437 VanDerWaalsContact O-N 3.09Å; D437-Y439 VanDerWaalsContact C-N 3.33Å; D437-Y439 PolarHBondContact O-N 3.49Å; D437-A440 PolarHBondContact O-N 3.44Å; D437-A440 VanDerWaalsContact O-N 3.1Å; D437-R441 PolarHBondContact O-N 2.83Å; D437-R441 IonicContact OD1-CZ 3.78Å; D437-R441 IonicContact OD1-NE 3.65Å; D437-R441 PolarHBondContact OD1-NE 3.2Å; D437-R441 IonicContact OD1-NH2 3.76Å; D437-R441 IonicContact OD2-CZ 3.11Å; D437-R441 IonicContact OD2-NE 2.74Å; D437-R441 IonicContact OD2-NH2 3.52Å; D437-R441 PolarHBondContact OD2-NH2 3.01Å
438S96.7Very high96.4Very high4 Ų455.5 Ų55.53%0.02827%0.272CS..Hα-helixtrans-60.7-39.2-168.8-38.80000113.2F354 L355 M434 R441 F442F354-S438 WeakPolarHBondContact CE1-O 3.26Å; L355-S438 VanDerWaalsContact CD2-CB 3.48Å; M434-S438 PolarHBondContact O-N 3.28Å; S438-R441 PolarHBondContact O-N 3.19Å; S438-F442 WeakPolarHBondContact O-CB 3.12Å; S438-F442 PolarHBondContact O-N 3.37Å
439Y98.1Very high96.3Very high17 Ų1754.4 Ų54.47%0.06727%0.267CS..Hα-helixtrans-66.6-41.6176.9175.2-110.4000112.2W334 G335 S337 L338 A341 M434 D437 R441 F442 L443W334-Y439 PolarHBondContact O-OH 2.75Å; G335-Y439 PolarHBondContact O-OH 3.32Å; S337-Y439 VanDerWaalsContact C-CZ 3.4Å; S337-Y439 WeakPolarHBondContact CA-OH 3.33Å; S337-Y439 PolarHBondContact N-OH 3.2Å; S337-Y439 PolarHBondContact O-OH 3.07Å; L338-Y439 HydrophobicContact CB-CD1 3.97Å; L338-Y439 HydrophobicContact CB-CD2 4.02Å; L338-Y439 HydrophobicContact CB-CE1 4.22Å; L338-Y439 HydrophobicContact CB-CE2 4.27Å; L338-Y439 HydrophobicContact CB-CG 3.87Å; L338-Y439 HydrophobicContact CD1-CD2 3.62Å; L338-Y439 HydrophobicContact CD1-CE2 4.33Å; L338-Y439 HydrophobicContact CD1-CG 3.93Å; L338-Y439 HydrophobicContact CG-CD2 4.4Å; L338-Y439 HydrophobicContact CG-CG 4.37Å; L338-Y439 VanDerWaalsContact N-CZ 3.33Å; A341-Y439 HydrophobicContact CB-CE2 4.09Å; M434-Y439 WeakPolarHBondContact O-CB 3.48Å; M434-Y439 PolarHBondContact O-N 3.49Å; D437-Y439 VanDerWaalsContact C-N 3.33Å; D437-Y439 PolarHBondContact O-N 3.49Å; Y439-R441 VanDerWaalsContact C-N 3.26Å; Y439-R441 PolarHBondContact O-N 2.96Å; Y439-F442 HydrophobicContact CD2-CD1 4.26Å; Y439-F442 HydrophobicContact CE2-CD1 4.47Å; Y439-F442 WeakPolarHBondContact O-CB 3.48Å; Y439-F442 PolarHBondContact O-N 3.43Å; Y439-L443 HydrophobicContact CE1-CD1 3.8Å; Y439-L443 HydrophobicContact CE1-CG 4.34Å; Y439-L443 HydrophobicContact CE2-CD1 4.29Å; Y439-L443 HydrophobicContact CE2-CD2 3.93Å; Y439-L443 HydrophobicContact CE2-CG 4.06Å; Y439-L443 WeakPolarHBondContact O-CG 3.32Å; Y439-L443 PolarHBondContact O-N 3.04Å
440A97.1Very high96.2Very high36 Ų3656.9 Ų56.930%0.29828%0.282SS..Hα-helixtrans-65.4-30.1175.800000112.3D437 R444D437-A440 PolarHBondContact O-N 3.44Å; D437-A440 VanDerWaalsContact O-N 3.1Å; A440-R444 PolarHBondContact O-NE 2.91Å
441R97.7Very high96Very high79 Ų7959.1 Ų59.130%0.29829%0.294SS..Hα-helixtrans-75.4-41.2171.1-68.6-169.6-78.1127.1-0.7111.8F354 E358 D437 S438 Y439 L443 R444 S445F354-R441 HydrophobicContact CE1-CB 4.39Å; F354-R441 HydrophobicContact CZ-CB 3.84Å; E358-R441 IonicContact OE1-NH1 2.68Å; E358-R441 PolarHBondContact OE1-NH1 3.25Å; E358-R441 IonicContact OE2-CZ 2.88Å; E358-R441 IonicContact OE2-NH1 3.61Å; E358-R441 PolarHBondContact OE2-NH1 3.33Å; E358-R441 IonicContact OE2-NH2 2.84Å; D437-R441 PolarHBondContact O-N 2.83Å; D437-R441 IonicContact OD1-CZ 3.78Å; D437-R441 IonicContact OD1-NE 3.65Å; D437-R441 PolarHBondContact OD1-NE 3.2Å; D437-R441 IonicContact OD1-NH2 3.76Å; D437-R441 IonicContact OD2-CZ 3.11Å; D437-R441 IonicContact OD2-NE 2.74Å; D437-R441 IonicContact OD2-NH2 3.52Å; D437-R441 PolarHBondContact OD2-NH2 3.01Å; S438-R441 PolarHBondContact O-N 3.19Å; Y439-R441 VanDerWaalsContact C-N 3.26Å; Y439-R441 PolarHBondContact O-N 2.96Å; R441-L443 PolarHBondContact O-N 3.24Å; R441-R444 CarbonylContact O-C 3.55Å; R441-R444 PolarHBondContact O-N 3Å; R441-S445 PolarHBondContact O-N 3.32Å
442F98.1Very high95.8Very high0 Ų059.7 Ų59.70%030%0.298CS..Hα-helixtrans-54.5-48.5174.7169.9-112.3000112.2Q350 F351 F354 S438 Y439 R444 S445 I447 Y448Q350-F442 HydrophobicContact CB-CE2 4.37Å; Q350-F442 HydrophobicContact CB-CZ 4.29Å; F351-F442 HydrophobicContact CB-CE2 4.49Å; F351-F442 HydrophobicContact CB-CZ 4.42Å; F351-F442 HydrophobicContact CD2-CB 3.69Å; F351-F442 AromaticContact CD2-CD1 3.92Å; F351-F442 HydrophobicContact CD2-CD1 3.92Å; F351-F442 AromaticContact CD2-CD2 3.96Å; F351-F442 HydrophobicContact CD2-CD2 3.96Å; F351-F442 AromaticContact CD2-CG 3.58Å; F351-F442 HydrophobicContact CD2-CG 3.58Å; F351-F442 HydrophobicContact CE2-CB 3.75Å; F351-F442 HydrophobicContact CE2-CG 4.17Å; F354-F442 HydrophobicContact CB-CD2 3.71Å; F354-F442 HydrophobicContact CB-CE2 4.27Å; F354-F442 HydrophobicContact CD1-CB 3.7Å; F354-F442 HydrophobicContact CD1-CD2 4.05Å; F354-F442 HydrophobicContact CD1-CG 4.32Å; F354-F442 HydrophobicContact CD2-CD2 4.42Å; F354-F442 HydrophobicContact CE1-CB 3.82Å; F354-F442 HydrophobicContact CG-CB 4.2Å; F354-F442 AromaticContact CG-CD2 3.78Å; F354-F442 HydrophobicContact CG-CD2 3.78Å; F354-F442 HydrophobicContact CG-CG 4.48Å; F354-F442 HydrophobicContact CZ-CB 4.41Å; S438-F442 WeakPolarHBondContact O-CB 3.12Å; S438-F442 PolarHBondContact O-N 3.37Å; Y439-F442 HydrophobicContact CD2-CD1 4.26Å; Y439-F442 HydrophobicContact CE2-CD1 4.47Å; Y439-F442 WeakPolarHBondContact O-CB 3.48Å; Y439-F442 PolarHBondContact O-N 3.43Å; F442-R444 PolarHBondContact O-N 3.39Å; F442-R444 VanDerWaalsContact O-N 3.16Å; F442-S445 VanDerWaalsContact O-CB 3.3Å; F442-S445 WeakPolarHBondContact O-CB 3.46Å; F442-S445 PolarHBondContact O-N 3.05Å; F442-S445 PolarHBondContact O-OG 3.28Å; F442-I447 HydrophobicContact CE2-CG2 4.29Å; F442-Y448 AromaticContact CE1-CD2 3.94Å; F442-Y448 HydrophobicContact CE1-CD2 3.94Å; F442-Y448 HydrophobicContact CE1-CG 4.44Å; F442-Y448 HydrophobicContact CZ-CD2 4.05Å; F442-Y448 VanDerWaalsContact O-CB 3.3Å; F442-Y448 WeakPolarHBondContact O-CB 3.45Å
443L97.3Very high95.4Very high36 Ų3657.1 Ų57.119%0.18829%0.294CS..THydrogen-bonded Turntrans-62.9-22.9178.8-65-174.5000113.8Y439 R441 Y448 Q449Y439-L443 HydrophobicContact CE1-CD1 3.8Å; Y439-L443 HydrophobicContact CE1-CG 4.34Å; Y439-L443 HydrophobicContact CE2-CD1 4.29Å; Y439-L443 HydrophobicContact CE2-CD2 3.93Å; Y439-L443 HydrophobicContact CE2-CG 4.06Å; Y439-L443 WeakPolarHBondContact O-CG 3.32Å; Y439-L443 PolarHBondContact O-N 3.04Å; R441-L443 PolarHBondContact O-N 3.24Å; L443-Y448 HydrophobicContact CB-CD1 4.48Å; L443-Y448 HydrophobicContact CD2-CD1 4.18Å; L443-Y448 HydrophobicContact CD2-CD2 4.16Å; L443-Y448 HydrophobicContact CD2-CE1 3.99Å; L443-Y448 HydrophobicContact CD2-CE2 3.99Å; L443-Y448 HydrophobicContact CD2-CG 4.26Å; L443-Y448 VanDerWaalsContact O-CD1 3.25Å; L443-Y448 WeakPolarHBondContact O-CD1 3.41Å; L443-Q449 PolarHBondContact O-NE2 2.86Å
444R96.6Very high94.2Very high180 Ų18057.6 Ų57.668%0.67931%0.307SS*.THydrogen-bonded Turntrans-94.6-8.7176.1-68.9-179.4-71.9172.90.5113.1A440 R441 F442A440-R444 PolarHBondContact O-NE 2.91Å; R441-R444 CarbonylContact O-C 3.55Å; R441-R444 PolarHBondContact O-N 3Å; F442-R444 PolarHBondContact O-N 3.39Å; F442-R444 VanDerWaalsContact O-N 3.16Å
445S96.6Very high92.2Very high18 Ų1865.3 Ų65.313%0.12634%0.336CS..SBendtrans-73.9154.9-177.576.60000112R441 F442 I447 Y448 Q449R441-S445 PolarHBondContact O-N 3.32Å; F442-S445 VanDerWaalsContact O-CB 3.3Å; F442-S445 WeakPolarHBondContact O-CB 3.46Å; F442-S445 PolarHBondContact O-N 3.05Å; F442-S445 PolarHBondContact O-OG 3.28Å; S445-I447 PolarHBondContact O-N 3.26Å; S445-I447 PolarHBondContact OG-N 2.63Å; S445-Y448 PolarHBondContact O-N 2.7Å; S445-Y448 PolarHBondContact OG-N 3.46Å; S445-Q449 WeakPolarHBondContact O-CG 3.38Å; S445-Q449 PolarHBondContact O-N 2.88Å
446N94.6Very high89.7Confident123 Ų12370.3 Ų70.366%0.65836%0.358SS*.Hα-helixtrans-60.4-31.6173.6-65.9-17.8000111.7Y448 Q449 D450N446-Y448 VanDerWaalsContact C-N 3.33Å; N446-Y448 PolarHBondContact O-N 3.32Å; N446-Q449 PolarHBondContact O-N 3.46Å; N446-D450 WeakPolarHBondContact O-CB 3.39Å; N446-D450 PolarHBondContact O-N 2.9Å
447I93Very high87.1Confident53 Ų5375.3 Ų75.327%0.27237%0.368SS..Hα-helixtrans-56.2-47.8178.3-60.9179.6000110.8F354 F442 S445 L451F354-I447 HydrophobicContact CB-CD1 3.91Å; F354-I447 HydrophobicContact CD2-CD1 4.17Å; F442-I447 HydrophobicContact CE2-CG2 4.29Å; S445-I447 PolarHBondContact O-N 3.26Å; S445-I447 PolarHBondContact OG-N 2.63Å; I447-L451 WeakPolarHBondContact O-CD1 3.19Å; I447-L451 VanDerWaalsContact O-CG 3.31Å; I447-L451 WeakPolarHBondContact O-CG 3.29Å
448Y96Very high84Confident13 Ų1380.4 Ų80.45%0.05139%0.389CS..Hα-helixtrans-76.6-43.8178.4177.6-100.7000112.3V331 W334 F442 L443 S445 N446 D450 L451 L452V331-Y448 HydrophobicContact CG1-CD2 4.16Å; V331-Y448 HydrophobicContact CG1-CE2 3.71Å; V331-Y448 PolarHBondContact O-OH 3.47Å; W334-Y448 HydrophobicContact CB-CE2 4.29Å; W334-Y448 HydrophobicContact CE3-CD2 4.4Å; W334-Y448 HydrophobicContact CE3-CE2 4.35Å; F442-Y448 AromaticContact CE1-CD2 3.94Å; F442-Y448 HydrophobicContact CE1-CD2 3.94Å; F442-Y448 HydrophobicContact CE1-CG 4.44Å; F442-Y448 HydrophobicContact CZ-CD2 4.05Å; F442-Y448 VanDerWaalsContact O-CB 3.3Å; F442-Y448 WeakPolarHBondContact O-CB 3.45Å; L443-Y448 HydrophobicContact CB-CD1 4.48Å; L443-Y448 HydrophobicContact CD2-CD1 4.18Å; L443-Y448 HydrophobicContact CD2-CD2 4.16Å; L443-Y448 HydrophobicContact CD2-CE1 3.99Å; L443-Y448 HydrophobicContact CD2-CE2 3.99Å; L443-Y448 HydrophobicContact CD2-CG 4.26Å; L443-Y448 VanDerWaalsContact O-CD1 3.25Å; L443-Y448 WeakPolarHBondContact O-CD1 3.41Å; S445-Y448 PolarHBondContact O-N 2.7Å; S445-Y448 PolarHBondContact OG-N 3.46Å; N446-Y448 VanDerWaalsContact C-N 3.33Å; N446-Y448 PolarHBondContact O-N 3.32Å; Y448-D450 VanDerWaalsContact C-N 3.33Å; Y448-D450 PolarHBondContact O-N 3.16Å; Y448-L451 PolarHBondContact O-N 3.38Å; Y448-L452 HydrophobicContact CE1-CD2 4.04Å; Y448-L452 PolarHBondContact O-N 2.99Å
449Q95.8Very high81.1Confident77 Ų7785.4 Ų85.436%0.3642%0.422SS..Hα-helixtrans-65.5-34.9-176.2-66.7-62.9-34.400112.8L443 S445 N446 L452 S453L443-Q449 PolarHBondContact O-NE2 2.86Å; S445-Q449 WeakPolarHBondContact O-CG 3.38Å; S445-Q449 PolarHBondContact O-N 2.88Å; N446-Q449 PolarHBondContact O-N 3.46Å; Q449-L452 PolarHBondContact O-N 3.32Å; Q449-S453 VanDerWaalsContact O-CB 3.25Å; Q449-S453 WeakPolarHBondContact O-CB 3.43Å; Q449-S453 PolarHBondContact O-N 2.79Å; Q449-S453 PolarHBondContact O-OG 3Å
450D93.6Very high78.4Confident106 Ų10688.9 Ų88.957%0.56745%0.454SS*.Hα-helixtrans-68.4-41.7176.2-70-21.1000111.2N446 Y448 S453 A454N446-D450 WeakPolarHBondContact O-CB 3.39Å; N446-D450 PolarHBondContact O-N 2.9Å; Y448-D450 VanDerWaalsContact C-N 3.33Å; Y448-D450 PolarHBondContact O-N 3.16Å; D450-S453 CarbonylContact O-C 3.54Å; D450-S453 PolarHBondContact O-N 2.78Å; D450-A454 PolarHBondContact O-N 3.16Å
451L92.9Very high75.7Confident47 Ų4794.3 Ų94.325%0.24648%0.478CS..Hα-helixtrans-63.4-41.9174.6-70.8172000111.7V331 W334 Q350 I447 Y448 S453 A454V331-L451 HydrophobicContact CG1-CB 4.05Å; V331-L451 HydrophobicContact CG2-CB 4.33Å; W334-L451 HydrophobicContact CZ3-CD1 4.08Å; Q350-L451 HydrophobicContact CB-CD1 4.3Å; Q350-L451 HydrophobicContact CG-CD1 3.73Å; I447-L451 WeakPolarHBondContact O-CD1 3.19Å; I447-L451 VanDerWaalsContact O-CG 3.31Å; I447-L451 WeakPolarHBondContact O-CG 3.29Å; Y448-L451 PolarHBondContact O-N 3.38Å; L451-S453 PolarHBondContact O-N 3Å; L451-A454 PolarHBondContact O-N 3.1Å
452L92.3Very high72.7Confident41 Ų4196.6 Ų96.622%0.21550%0.501CS..Hα-helixtrans-66.6-28.7176.5-168.263.6000112.1Q328 V331 K332 Y448 Q449Q328-L452 HydrophobicContact CG-CD1 4.36Å; Q328-L452 WeakPolarHBondContact CG-O 3.3Å; Q328-L452 PolarHBondContact NE2-O 2.86Å; V331-L452 HydrophobicContact CG1-CB 4.38Å; V331-L452 HydrophobicContact CG1-CD1 4.3Å; K332-L452 HydrophobicContact CB-CD1 4.06Å; Y448-L452 HydrophobicContact CE1-CD2 4.04Å; Y448-L452 PolarHBondContact O-N 2.99Å; Q449-L452 PolarHBondContact O-N 3.32Å
453S87.1Confident69.7Low62 Ų62106.1 Ų106.143%0.43455%0.546SS..Hα-helixtrans-91.6-9.2-178.2-60.20000114.3Q449 D450 L451 R455 K456Q449-S453 VanDerWaalsContact O-CB 3.25Å; Q449-S453 WeakPolarHBondContact O-CB 3.43Å; Q449-S453 PolarHBondContact O-N 2.79Å; Q449-S453 PolarHBondContact O-OG 3Å; D450-S453 CarbonylContact O-C 3.54Å; D450-S453 PolarHBondContact O-N 2.78Å; L451-S453 PolarHBondContact O-N 3Å; S453-R455 PolarHBondContact O-N 3.34Å; S453-K456 PolarHBondContact O-N 3.46Å
454A70.9Confident67Low69 Ų69113.3 Ų113.357%0.5758%0.578SS**G310 helixtrans-58.8-12.1-169.900000115.1D450 L451 K456D450-A454 PolarHBondContact O-N 3.16Å; L451-A454 PolarHBondContact O-N 3.1Å; A454-K456 VanDerWaalsContact C-N 3.28Å; A454-K456 PolarHBondContact O-N 3.42Å
455R54.9Low64.4Low163 Ų163108.2 Ų108.262%0.61558%0.582SS**G310 helixtrans-73.1-10.9171.4-135-175.7-175.3-176.36.4114.3E305 S453E305-R455 IonicContact OE2-NH2 3.69Å; E305-R455 PolarHBondContact OE2-NH2 3.4Å; E305-R455 VanDerWaalsContact OE2-NH2 3.13Å; S453-R455 PolarHBondContact O-N 3.34Å
456K44.7Very low61.7Low195 Ų195119.3 Ų119.385%0.84862%0.621SS**G310 helixtrans-80.2-10.6178.8-84.8-172.2179.3176.90115.3S453 A454S453-K456 PolarHBondContact O-N 3.46Å; A454-K456 VanDerWaalsContact C-N 3.28Å; A454-K456 PolarHBondContact O-N 3.42Å
457K39Very low59.1Low196 Ų196123.7 Ų123.785%0.85263%0.629SS**  trans-112.369.8174.3-75.4-176.7179175.50110.6
458Q31.2Very low57.2Low173 Ų173125.9 Ų125.981%0.80865%0.645SS**  trans-70.8132.9140.3-76.1-163.9-11.700107A460Q458-A460 VanDerWaalsContact C-N 3.34Å; Q458-A460 PolarHBondContact O-N 3.27Å
459P36.6Very low54.8Low109 Ų109130.5 Ų130.571%0.70868%0.679SS**  trans-68.1100163.911.90.3000107
460A41Very low52.5Low90 Ų90133.3 Ų133.374%0.74470%0.695SS**SBendtrans-60.6131.3143.500000106.4Q458Q458-A460 VanDerWaalsContact C-N 3.34Å; Q458-A460 PolarHBondContact O-N 3.27Å
461D41Very low50.2Low151 Ų151133.6 Ų133.681%0.80769%0.693SS**  trans72.278.9176.9-60.5-29.8000118
462T34Very low48.1Very low127 Ų127139.4 Ų139.478%0.77972%0.717SS**  trans-148.851.2134.4-310000112.3Q464T462-Q464 VanDerWaalsContact C-N 3.35Å
463E34.3Very low45.8Very low200 Ų200144.7 Ų144.794%0.93574%0.738SS**  trans-98.660156.9-102.5-159.4159.600109.9
464Q41.9Very low44.1Very low186 Ų186146.7 Ų146.787%0.86975%0.748SS**  trans-126.9100.1160.8-93.9172.8-100109.3T462T462-Q464 VanDerWaalsContact C-N 3.35Å
465G41.4Very low43.1Very low74 Ų74153.5 Ų153.576%0.76376%0.759SS**SBendtrans11677151.900000116.7
466R40Very low42.5Very low250 Ų250150.2 Ų150.294%0.94376%0.761SS**  trans-168.772.2132-109.7172.2176.5157.4-0.4110.9
467R40.3Very low42.6Very low216 Ų216146 Ų14682%0.81575%0.751SS**  trans-87.5124.9159.1-84.4-176.3174.5138.93.2108.8
468T51.8Low43Very low99 Ų99139.9 Ų139.961%0.60774%0.744SS**  trans-69.1152.1-178.553.80000111.1L470 E471T468-L470 PolarHBondContact O-N 3.23Å; T468-E471 PolarHBondContact O-N 3.02Å
469S46.8Very low43.6Very low110 Ų110141.1 Ų141.177%0.76975%0.747SS**THydrogen-bonded Turntrans-62-8.3-172.841.60000115.4
470L46Very low43.8Very low135 Ų135140.9 Ų140.971%0.70775%0.747SS**Hα-helixtrans-82.4-31.7-176.3-162.964.6000113.2T468T468-L470 PolarHBondContact O-N 3.23Å
471E47.2Very low43.9Very low112 Ų112144.1 Ų144.152%0.52375%0.751SS.*Hα-helixtrans-77.5-19.7-179.6-70.5-172143.100113.7T468 T474T468-E471 PolarHBondContact O-N 3.02Å; E471-T474 PolarHBondContact O-OG1 2.83Å
472K47.5Very low43.7Very low169 Ų169144.2 Ų144.274%0.73576%0.758SS**Hα-helixtrans-76.7-28175.8-76.9-176.2179178.50112.6
473F43.8Very low43.7Very low153 Ų153141.6 Ų141.667%0.67176%0.756SS**Hα-helixtrans-75.6-37.9-177.4-163.5-101.5000112.2R475 S476F473-R475 PolarHBondContact O-N 2.85Å; F473-S476 PolarHBondContact O-N 2.78Å
474T51.8Low43.7Very low103 Ų103142.3 Ų142.363%0.63276%0.756SS**Hα-helixtrans-72.5-26.2-175.352.90000113.9E471E471-T474 PolarHBondContact O-OG1 2.83Å
475R49.1Very low43.4Very low212 Ų212144.9 Ų144.980%0.876%0.758SS**Hα-helixtrans-83.6-18.3175.1-77.5-173.1-168.8-159.22.2114.8F473F473-R475 PolarHBondContact O-N 2.85Å
476S43Very low42.9Very low95 Ų95148.8 Ų148.866%0.66476%0.76SS**Hα-helixtrans-80.5-23.6-178-168.60000113.3F473F473-S476 PolarHBondContact O-N 2.78Å
477V47.2Very low42.7Very low106 Ų106143.1 Ų143.164%0.64275%0.754SS**Hα-helixtrans-90.7-24.7-177.1-173.80000112.1K479V477-K479 PolarHBondContact O-N 3.06Å
478G46.4Very low42.2Very low68 Ų68136.2 Ų136.270%0.70175%0.75SS**THydrogen-bonded Turntrans-83.6-0.9-17600000117
479K43.5Very low41.2Very low199 Ų199139 Ų13987%0.86576%0.76SS**THydrogen-bonded Turntrans-107.14.8-176-83.1-172.9174.7-174.90115.4V477V477-K479 PolarHBondContact O-N 3.06Å
480S40.8Very low40.4Very low103 Ų103140.2 Ų140.272%0.7276%0.755SS**SBendtrans-107.48.2-175.9-165.30000115.9
481L44.7Very low39.8Very low158 Ų158141.1 Ų141.183%0.82776%0.756SS**SBendtrans-140.387.6177-76168.4000110.5
482T35.2Very low39.3Very low154 Ų154141 Ų14195%0.94577%0.767SS**  trans172.195138.842.10000109
483G34Very low38.9Very low72 Ų72142.2 Ų142.274%0.74280%0.797SS**  trans-164.584.7170.300000109.3
484K35.6Very low38.7Very low215 Ų215141.7 Ų141.794%0.93580%0.803SS**  trans-168.8129.3154.2-102.7160.5-168.9-1730110.7
485R34.3Very low38Very low239 Ų239143.7 Ų143.790%0.90281%0.812SS**  trans-50.8156178.2-79.8168.1161.8177.1-5.2115.2
486L32.3Very low37.4Very low156 Ų156139.9 Ų139.982%0.81781%0.813SS**  -178.7112.4121.3-115.188.6000108.9
487T34.5Very low37.1Very low131 Ų131142.5 Ų142.580%0.80482%0.822SS**  56127.1104.161.50000117.6
488G29.9Very low36.4Very low71 Ų71144.8 Ų144.873%0.73283%0.833SS**  trans133.9104143.900000118.1
489L31.2Very low35.8Very low157 Ų157149.9 Ų149.982%0.82284%0.842SS**  trans29.6139.2135-80.4126.1000123.3
490M31.3Very low35.2Very low136 Ų136146.4 Ų146.467%0.6784%0.84SS**  trans91.5121.9133.6-77.5171.687.400122.2
491Q33.2Very low34.8Very low155 Ų155149.8 Ų149.872%0.72485%0.849SS**  trans76.7131130.1-74.3-176.8-13.200122.4
492S36.3Very low33.9Very low109 Ų109149.1 Ų149.176%0.76285%0.851SS**  trans60.2135.5144.961.10000117.9
493S39.5Very low33.8Very low194 Ų194148.6 Ų148.6100%1.35784%0.842SS**  cis-148.3026.3-76.60000111.1

Retrieved 493 of 493 residues in 83.6 ms (Link to these results)

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