A0A077ZCW2_TRITR Loading...

BAR and SH3 9 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCW2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 390 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
1M55.1Low79.5Confident200 Ų20099.6 Ų99.699%0.98552%0.523SS*.  01340-81.8-145.9-8600108.7L6M1-L6 HydrophobicContact CE-CD1 4.45Å
2S75Confident80.2Confident82 Ų8293.9 Ų93.957%0.57349%0.491SS*.  trans-72.5151.417471.40000110.6A4 G5 L6S2-A4 PolarHBondContact O-N 3.48Å; S2-G5 WeakPolarHBondContact O-CA 3.45Å; S2-G5 PolarHBondContact O-N 3.47Å; S2-G5 PolarHBondContact OG-N 3.22Å; S2-L6 PolarHBondContact O-N 3.16Å; S2-L6 VanDerWaalsContact O-N 3.11Å
3F74Confident80.7Confident191 Ų19190.8 Ų90.884%0.83849%0.487SS*.Hα-helixtrans-52.2-38.1175.5-96.4-84.7000112.5G5 L6 K7F3-G5 PolarHBondContact O-N 3.42Å; F3-L6 PolarHBondContact O-N 3.27Å; F3-K7 WeakPolarHBondContact O-CB 3.16Å; F3-K7 PolarHBondContact O-N 3.1Å
4A78.5Confident81.2Confident72 Ų7290.9 Ų90.960%0.59549%0.488SS*.Hα-helixtrans-62.6-41.4176.100000112.3S2 K8S2-A4 PolarHBondContact O-N 3.48Å; A4-K8 WeakPolarHBondContact O-CB 3.47Å; A4-K8 PolarHBondContact O-N 3.42Å
5G79.6Confident81.7Confident26 Ų2685 Ų8527%0.26846%0.456SS..Hα-helixtrans-63.6-42.4175.600000112.7S2 F3 K8 Q9S2-G5 WeakPolarHBondContact O-CA 3.45Å; S2-G5 PolarHBondContact O-N 3.47Å; S2-G5 PolarHBondContact OG-N 3.22Å; F3-G5 PolarHBondContact O-N 3.42Å; G5-K8 WeakPolarHBondContact O-CB 3.41Å; G5-K8 PolarHBondContact O-N 3.4Å; G5-Q9 WeakPolarHBondContact O-CG 3.31Å; G5-Q9 PolarHBondContact O-N 3.21Å; G5-Q9 VanDerWaalsContact O-N 3.09Å
6L81Confident81.9Confident81 Ų8185.1 Ų85.142%0.42445%0.449SS..Hα-helixtrans-65-46.6177.4-174.765.6000111.7M1 S2 F3 K8 Q9 I10M1-L6 HydrophobicContact CE-CD1 4.45Å; S2-L6 PolarHBondContact O-N 3.16Å; S2-L6 VanDerWaalsContact O-N 3.11Å; F3-L6 PolarHBondContact O-N 3.27Å; L6-K8 PolarHBondContact O-N 3.31Å; L6-Q9 PolarHBondContact O-N 3.21Å; L6-Q9 VanDerWaalsContact O-N 3.1Å; L6-I10 HydrophobicContact CG-CD1 4.19Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 3.47Å
7K85.2Confident82.2Confident143 Ų14385 Ų8562%0.62245%0.452SS*.Hα-helixtrans-57.9-39.7176.2-173.1176.7-178.1179.90111.5F3 I10 N11F3-K7 WeakPolarHBondContact O-CB 3.16Å; F3-K7 PolarHBondContact O-N 3.1Å; K7-I10 PolarHBondContact O-N 3.48Å; K7-N11 VanDerWaalsContact O-CG 3.25Å; K7-N11 PolarHBondContact O-N 3.21Å; K7-N11 PolarHBondContact O-ND2 3.07Å
8K84Confident82.4Confident68 Ų6881.9 Ų81.930%0.29644%0.438SS..Hα-helixtrans-62.5-44175.6-174.7173.6-176.4154.60112.1A4 G5 L6 N11 K12 D167A4-K8 WeakPolarHBondContact O-CB 3.47Å; A4-K8 PolarHBondContact O-N 3.42Å; G5-K8 WeakPolarHBondContact O-CB 3.41Å; G5-K8 PolarHBondContact O-N 3.4Å; L6-K8 PolarHBondContact O-N 3.31Å; K8-N11 PolarHBondContact O-N 3.42Å; K8-K12 WeakPolarHBondContact O-CG 3.21Å; K8-K12 PolarHBondContact O-N 3.4Å; K8-K12 VanDerWaalsContact O-N 3.14Å; K8-D167 WeakPolarHBondContact CE-OD1 3.35Å; K8-D167 WeakPolarHBondContact CE-OD2 3.18Å; K8-D167 IonicContact NZ-OD1 3.85Å; K8-D167 IonicContact NZ-OD2 2.66Å; K8-D167 PolarHBondContact NZ-OD2 3.25Å
9Q87.5Confident82.6Confident107 Ų10779.2 Ų79.250%0.542%0.422SS..Hα-helixtrans-66.1-41178.5-67.1-65.51.300112.4G5 L6 N11 K12 A13G5-Q9 WeakPolarHBondContact O-CG 3.31Å; G5-Q9 PolarHBondContact O-N 3.21Å; G5-Q9 VanDerWaalsContact O-N 3.09Å; L6-Q9 PolarHBondContact O-N 3.21Å; L6-Q9 VanDerWaalsContact O-N 3.1Å; Q9-N11 VanDerWaalsContact C-N 3.32Å; Q9-N11 PolarHBondContact O-N 3.17Å; Q9-K12 PolarHBondContact O-N 3.09Å; Q9-A13 PolarHBondContact O-N 3.45Å
10I87.2Confident82.8Confident87 Ų8784.5 Ų84.545%0.44644%0.436SS..Hα-helixtrans-60.1-43.7175-67.1168.2000110.8L6 K7 K12 A13 N14L6-I10 HydrophobicContact CG-CD1 4.19Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 3.47Å; K7-I10 PolarHBondContact O-N 3.48Å; I10-K12 VanDerWaalsContact C-N 3.33Å; I10-K12 PolarHBondContact O-N 3.39Å; I10-A13 PolarHBondContact O-N 3.04Å; I10-N14 WeakPolarHBondContact O-CB 3.37Å; I10-N14 VanDerWaalsContact O-CG 3.3Å; I10-N14 PolarHBondContact O-N 3.47Å
11N87.6Confident83Confident39 Ų3985.6 Ų85.621%0.20945%0.446CS..Hα-helixtrans-60.7-41.6177.4-74.6-26.3000112.4K7 K8 Q9 N14 Q15 K174K7-N11 VanDerWaalsContact O-CG 3.25Å; K7-N11 PolarHBondContact O-N 3.21Å; K7-N11 PolarHBondContact O-ND2 3.07Å; K8-N11 PolarHBondContact O-N 3.42Å; Q9-N11 VanDerWaalsContact C-N 3.32Å; Q9-N11 PolarHBondContact O-N 3.17Å; N11-N14 PolarHBondContact O-N 3.48Å; N11-Q15 WeakPolarHBondContact O-CB 3.33Å; N11-Q15 PolarHBondContact O-N 3.45Å; N11-K174 PolarHBondContact ND2-NZ 3.01Å
12K87.8Confident84.3Confident31 Ų3179.2 Ų79.214%0.13543%0.432CS..Hα-helixtrans-64.5-42.2175.7-69.2-179.4-176.5-159.10112.2K8 Q9 I10 Q15 Y16 G163 L166K8-K12 WeakPolarHBondContact O-CG 3.21Å; K8-K12 PolarHBondContact O-N 3.4Å; K8-K12 VanDerWaalsContact O-N 3.14Å; Q9-K12 PolarHBondContact O-N 3.09Å; I10-K12 VanDerWaalsContact C-N 3.33Å; I10-K12 PolarHBondContact O-N 3.39Å; K12-Q15 WeakPolarHBondContact O-CB 3.27Å; K12-Q15 PolarHBondContact O-N 3.28Å; K12-Y16 WeakPolarHBondContact O-CB 3.36Å; K12-Y16 PolarHBondContact O-N 2.69Å; K12-G163 WeakPolarHBondContact CE-O 3.18Å; K12-G163 PolarHBondContact NZ-O 3Å; K12-L166 HydrophobicContact CB-CB 4.24Å; K12-L166 HydrophobicContact CG-CB 4.22Å
13A86.7Confident84.6Confident53 Ų5378.9 Ų78.944%0.43844%0.435SS..Hα-helixtrans-63-45.9176.500000111.3Q9 I10 Q15 Y16 V17Q9-A13 PolarHBondContact O-N 3.45Å; I10-A13 PolarHBondContact O-N 3.04Å; A13-Q15 VanDerWaalsContact C-N 3.29Å; A13-Q15 PolarHBondContact O-N 3.47Å; A13-Y16 WeakPolarHBondContact O-CB 3.5Å; A13-Y16 PolarHBondContact O-N 3.15Å; A13-V17 WeakPolarHBondContact O-CG2 3.41Å; A13-V17 PolarHBondContact O-N 2.93Å
14N87.3Confident85Confident93 Ų9370.6 Ų70.650%0.49740%0.401SS..Hα-helixtrans-60.3-40.5175.7-71.2-11.7000111.7I10 N11 S18I10-N14 WeakPolarHBondContact O-CB 3.37Å; I10-N14 VanDerWaalsContact O-CG 3.3Å; I10-N14 PolarHBondContact O-N 3.47Å; N11-N14 PolarHBondContact O-N 3.48Å; N14-S18 WeakPolarHBondContact O-CB 3.44Å; N14-S18 PolarHBondContact O-N 2.91Å; N14-S18 PolarHBondContact O-OG 2.91Å
15Q89Confident85.2Confident2 Ų273.9 Ų73.91%0.00940%0.404CS..Hα-helixtrans-61.6-49.1175.7-179.262.830.500111.2N11 K12 A13 V17 S18 E19 L166 D169 C170 R173N11-Q15 WeakPolarHBondContact O-CB 3.33Å; N11-Q15 PolarHBondContact O-N 3.45Å; K12-Q15 WeakPolarHBondContact O-CB 3.27Å; K12-Q15 PolarHBondContact O-N 3.28Å; A13-Q15 VanDerWaalsContact C-N 3.29Å; A13-Q15 PolarHBondContact O-N 3.47Å; Q15-V17 PolarHBondContact O-N 3.19Å; Q15-S18 WeakPolarHBondContact O-CB 3.23Å; Q15-S18 PolarHBondContact O-N 3.2Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.26Å; Q15-E19 PolarHBondContact NE2-OE1 3.39Å; Q15-E19 WeakPolarHBondContact O-CG 3.43Å; Q15-E19 PolarHBondContact O-N 3.39Å; Q15-L166 HydrophobicContact CB-CD2 4.21Å; Q15-L166 HydrophobicContact CG-CB 4.4Å; Q15-L166 HydrophobicContact CG-CD2 3.75Å; Q15-D169 HydrophobicContact CG-CB 4.11Å; Q15-C170 HydrophobicContact CB-CB 4.29Å; Q15-C170 HydrophobicContact CG-CB 4.46Å; Q15-R173 VanDerWaalsContact OE1-NH1 3.1Å
16Y84.9Confident85.6Confident87 Ų8774.2 Ų74.234%0.34140%0.404SS..Hα-helixtrans-58.4-46.2178.2177.2-90.4000112.3K12 A13 E19 R20 L166K12-Y16 WeakPolarHBondContact O-CB 3.36Å; K12-Y16 PolarHBondContact O-N 2.69Å; A13-Y16 WeakPolarHBondContact O-CB 3.5Å; A13-Y16 PolarHBondContact O-N 3.15Å; Y16-E19 PolarHBondContact O-N 3.41Å; Y16-R20 HydrophobicContact CD1-CG 4.32Å; Y16-R20 HydrophobicContact CE1-CG 3.93Å; Y16-R20 WeakPolarHBondContact O-CG 3.33Å; Y16-R20 PolarHBondContact O-N 2.83Å; Y16-R20 VanDerWaalsContact O-N 3.08Å; Y16-R20 PolarHBondContact OH-NE 3.39Å; Y16-R20 PolarHBondContact OH-NH2 2.94Å; Y16-L166 HydrophobicContact CD2-CD1 4.4Å
17V86.6Confident86Confident83 Ų8371.8 Ų71.850%0.50339%0.393SS..Hα-helixtrans-63.3-43.1176.8173.50000110.8A13 Q15 E19 R20 V21A13-V17 WeakPolarHBondContact O-CG2 3.41Å; A13-V17 PolarHBondContact O-N 2.93Å; Q15-V17 PolarHBondContact O-N 3.19Å; V17-E19 VanDerWaalsContact C-N 3.28Å; V17-E19 PolarHBondContact O-N 3.47Å; V17-R20 PolarHBondContact O-N 3.34Å; V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.11Å; V17-V21 VanDerWaalsContact O-N 3.13Å
18S85.7Confident86.2Confident29 Ų2972.5 Ų72.520%0.20340%0.396CS..Hα-helixtrans-59.7-39.3178.7-55.60000112.2N14 Q15 V21 G22 A23 A24N14-S18 WeakPolarHBondContact O-CB 3.44Å; N14-S18 PolarHBondContact O-N 2.91Å; N14-S18 PolarHBondContact O-OG 2.91Å; Q15-S18 WeakPolarHBondContact O-CB 3.23Å; Q15-S18 PolarHBondContact O-N 3.2Å; S18-V21 WeakPolarHBondContact O-CG2 3.49Å; S18-G22 PolarHBondContact O-N 2.99Å; S18-A23 WeakPolarHBondContact O-CA 3.27Å; S18-A23 WeakPolarHBondContact O-CB 3.36Å; S18-A23 PolarHBondContact O-N 3.42Å; S18-A24 PolarHBondContact O-N 3.16Å
19E87.6Confident86.6Confident31 Ų3171 Ų7115%0.14539%0.391CS..Hα-helixtrans-69.5-41.8177.9-70.1167.4-168.800111.6Q15 Y16 V17 V21 G22 A24 A26 R165Q15-E19 WeakPolarHBondContact CG-OE1 3.26Å; Q15-E19 PolarHBondContact NE2-OE1 3.39Å; Q15-E19 WeakPolarHBondContact O-CG 3.43Å; Q15-E19 PolarHBondContact O-N 3.39Å; Y16-E19 PolarHBondContact O-N 3.41Å; V17-E19 VanDerWaalsContact C-N 3.28Å; V17-E19 PolarHBondContact O-N 3.47Å; E19-V21 VanDerWaalsContact C-N 3.27Å; E19-V21 PolarHBondContact O-N 3.46Å; E19-G22 PolarHBondContact O-N 2.93Å; E19-A24 WeakPolarHBondContact CA-O 3.42Å; E19-A24 HydrophobicContact CG-CB 3.8Å; E19-A26 HydrophobicContact CG-CB 4.45Å; E19-R165 IonicContact OE1-CZ 3.45Å; E19-R165 IonicContact OE1-NH1 3.08Å; E19-R165 PolarHBondContact OE1-NH1 3.38Å; E19-R165 IonicContact OE1-NH2 3.21Å; E19-R165 IonicContact OE2-CZ 3.34Å; E19-R165 VanDerWaalsContact OE2-CZ 3.31Å; E19-R165 IonicContact OE2-NH1 3.84Å; E19-R165 PolarHBondContact OE2-NH1 3.12Å; E19-R165 IonicContact OE2-NH2 3.5Å; E19-R165 PolarHBondContact OE2-NH2 2.84Å
20R85.1Confident86.9Confident184 Ų18469.1 Ų69.169%0.69439%0.385SS*.Hα-helixtrans-63.5-30.7179.2-75.1-74.9178.5151.3-5.1113.4Y16 V17 G22Y16-R20 HydrophobicContact CD1-CG 4.32Å; Y16-R20 HydrophobicContact CE1-CG 3.93Å; Y16-R20 WeakPolarHBondContact O-CG 3.33Å; Y16-R20 PolarHBondContact O-N 2.83Å; Y16-R20 VanDerWaalsContact O-N 3.08Å; Y16-R20 PolarHBondContact OH-NE 3.39Å; Y16-R20 PolarHBondContact OH-NH2 2.94Å; V17-R20 PolarHBondContact O-N 3.34Å; R20-G22 VanDerWaalsContact C-N 3.34Å
21V88.2Confident87.3Confident108 Ų10872.2 Ų72.266%0.65540%0.397SS*.THydrogen-bonded Turntrans-90.54.3175.8-55.80000113.3V17 S18 E19 A23V17-V21 WeakPolarHBondContact O-CG2 3.44Å; V17-V21 PolarHBondContact O-N 3.11Å; V17-V21 VanDerWaalsContact O-N 3.13Å; S18-V21 WeakPolarHBondContact O-CG2 3.49Å; E19-V21 VanDerWaalsContact C-N 3.27Å; E19-V21 PolarHBondContact O-N 3.46Å; V21-A23 HydrophobicContact CG2-CB 3.81Å; V21-A23 PolarHBondContact O-N 3.38Å
22G82.2Confident87.6Confident66 Ų6674.2 Ų74.268%0.6841%0.413SS*.THydrogen-bonded Turntrans73.88.6-179.300000114.9S18 E19 R20 A24S18-G22 PolarHBondContact O-N 2.99Å; E19-G22 PolarHBondContact O-N 2.93Å; R20-G22 VanDerWaalsContact C-N 3.34Å; G22-A24 PolarHBondContact O-N 2.84Å
23A82.1Confident88.1Confident76 Ų7672.9 Ų72.963%0.62841%0.407SS*.SBendtrans-77-3.917600000113S18 V21S18-A23 WeakPolarHBondContact O-CA 3.27Å; S18-A23 WeakPolarHBondContact O-CB 3.36Å; S18-A23 PolarHBondContact O-N 3.42Å; V21-A23 HydrophobicContact CG2-CB 3.81Å; V21-A23 PolarHBondContact O-N 3.38Å
24A81.6Confident88.5Confident16 Ų1675 Ų7513%0.13241%0.408CS..SBendtrans-152.5135.9-174.700000112S18 E19 G22S18-A24 PolarHBondContact O-N 3.16Å; E19-A24 WeakPolarHBondContact CA-O 3.42Å; E19-A24 HydrophobicContact CG-CB 3.8Å; G22-A24 PolarHBondContact O-N 2.84Å
25E82.4Confident89Confident141 Ų14176 Ų7666%0.65941%0.41SS*.PPolyproline II helixtrans-87.1134.4169-165.9171.4-170.600110.5K28E25-K28 WeakPolarHBondContact OE1-CE 3.32Å; E25-K28 IonicContact OE1-NZ 2.63Å; E25-K28 PolarHBondContact OE1-NZ 3.15Å
26A88.1Confident89.4Confident33 Ų3376.9 Ų76.927%0.27341%0.414SS..PPolyproline II helixtrans-80.8143.1174.900000110.5E19 K28E19-A26 HydrophobicContact CG-CB 4.45Å; A26-K28 PolarHBondContact O-N 2.89Å; A26-K28 VanDerWaalsContact O-N 3.1Å
27T89.5Confident90Very high31 Ų3175.4 Ų75.419%0.1941%0.411CS..PPolyproline II helixtrans-60117.8166.1-66.20000109.6R165 Y168 D169 R172T27-R165 VanDerWaalsContact O-CD 3.3Å; T27-R165 WeakPolarHBondContact O-CD 3.28Å; T27-Y168 HydrophobicContact CG2-CE1 4.32Å; T27-Y168 WeakPolarHBondContact OG1-CE1 3.41Å; T27-D169 WeakPolarHBondContact CB-OD1 3.49Å; T27-D169 PolarHBondContact N-OD1 2.8Å; T27-D169 PolarHBondContact N-OD2 3.1Å; T27-D169 VanDerWaalsContact N-OD2 3.1Å; T27-D169 PolarHBondContact OG1-OD1 3.06Å; T27-R172 PolarHBondContact OG1-NH1 3.48Å; T27-R172 PolarHBondContact OG1-NH2 2.7Å
28K89.1Confident90.5Very high157 Ų15778.3 Ų78.368%0.68342%0.417SS*.PPolyproline II helixtrans-77.9135.6177.6-63.6178.1-173.1164.70109.2E25 A26E25-K28 WeakPolarHBondContact OE1-CE 3.32Å; E25-K28 IonicContact OE1-NZ 2.63Å; E25-K28 PolarHBondContact OE1-NZ 3.15Å; A26-K28 PolarHBondContact O-N 2.89Å; A26-K28 VanDerWaalsContact O-N 3.1Å
29L92.7Very high91.1Very high36 Ų3682 Ų8219%0.18843%0.429CS..PPolyproline II helixtrans-80.8153.7168-58.4174.2000108.1Y33 Q34 L161 K197L29-Y33 HydrophobicContact CB-CD1 3.76Å; L29-Y33 HydrophobicContact CB-CG 3.9Å; L29-Y33 HydrophobicContact CD1-CD1 3.39Å; L29-Y33 HydrophobicContact CD1-CD2 4.13Å; L29-Y33 HydrophobicContact CD1-CE1 3.27Å; L29-Y33 HydrophobicContact CD1-CE2 4.02Å; L29-Y33 HydrophobicContact CD1-CG 3.87Å; L29-Y33 HydrophobicContact CG-CD1 4.2Å; L29-Y33 HydrophobicContact CG-CE1 4.48Å; L29-Y33 HydrophobicContact CG-CG 4.44Å; L29-Q34 PolarHBondContact O-NE2 3.04Å; L29-L161 HydrophobicContact CD1-CD2 3.9Å; L29-K197 HydrophobicContact CD2-CD 4.14Å; L29-K197 HydrophobicContact CD2-CG 4.48Å
30D94Very high91.6Very high69 Ų6980.5 Ų80.537%0.36942%0.422SS..PPolyproline II helixtrans-65.1168-178.659.964.1000112.9C32 Y33 Q34 K197D30-C32 VanDerWaalsContact C-N 3.29Å; D30-C32 PolarHBondContact O-N 2.83Å; D30-C32 WeakPolarHBondContact OD1-CB 3.25Å; D30-C32 PolarHBondContact OD1-N 2.9Å; D30-C32 VanDerWaalsContact OD1-N 3.15Å; D30-Y33 PolarHBondContact O-N 2.9Å; D30-Y33 PolarHBondContact OD1-N 3.49Å; D30-Q34 WeakPolarHBondContact O-CG 3.23Å; D30-Q34 PolarHBondContact O-N 3.36Å; D30-Q34 VanDerWaalsContact O-N 3.16Å; D30-K197 WeakPolarHBondContact OD2-CE 3.4Å; D30-K197 IonicContact OD2-NZ 3.76Å; D30-K197 PolarHBondContact OD2-NZ 3.5Å
31E94.8Very high92.2Very high151 Ų15174.6 Ų74.671%0.70640%0.404SS*.Hα-helixtrans-63-35.9-177.1-64.7179.4171.900112.2Y33 Q34 E35E31-Y33 PolarHBondContact O-N 3.33Å; E31-Q34 PolarHBondContact O-N 3.32Å; E31-E35 WeakPolarHBondContact O-CG 3.32Å; E31-E35 PolarHBondContact O-N 3.47Å
32C94.7Very high92.7Very high81 Ų8174 Ų7455%0.54740%0.396SS..Hα-helixtrans-63.3-44178.8-174.70000111.2D30 Q34 E35 L36D30-C32 VanDerWaalsContact C-N 3.29Å; D30-C32 PolarHBondContact O-N 2.83Å; D30-C32 WeakPolarHBondContact OD1-CB 3.25Å; D30-C32 PolarHBondContact OD1-N 2.9Å; D30-C32 VanDerWaalsContact OD1-N 3.15Å; C32-Q34 PolarHBondContact O-N 3.39Å; C32-E35 PolarHBondContact O-N 3.44Å; C32-L36 PolarHBondContact O-N 3.01Å; C32-L36 VanDerWaalsContact O-N 3.09Å
33Y97Very high93.4Very high3 Ų371.6 Ų71.61%0.01237%0.369CS..Hα-helixtrans-58.4-47.7172.5-176.5-78.6000111.5L29 D30 E31 E35 L36 E37 L161 K197 A200 E201 M204L29-Y33 HydrophobicContact CB-CD1 3.76Å; L29-Y33 HydrophobicContact CB-CG 3.9Å; L29-Y33 HydrophobicContact CD1-CD1 3.39Å; L29-Y33 HydrophobicContact CD1-CD2 4.13Å; L29-Y33 HydrophobicContact CD1-CE1 3.27Å; L29-Y33 HydrophobicContact CD1-CE2 4.02Å; L29-Y33 HydrophobicContact CD1-CG 3.87Å; L29-Y33 HydrophobicContact CG-CD1 4.2Å; L29-Y33 HydrophobicContact CG-CE1 4.48Å; L29-Y33 HydrophobicContact CG-CG 4.44Å; D30-Y33 PolarHBondContact O-N 2.9Å; D30-Y33 PolarHBondContact OD1-N 3.49Å; E31-Y33 PolarHBondContact O-N 3.33Å; Y33-E35 VanDerWaalsContact C-N 3.31Å; Y33-E35 PolarHBondContact O-N 3.07Å; Y33-L36 PolarHBondContact O-N 2.92Å; Y33-E37 HydrophobicContact CD1-CB 4.39Å; Y33-E37 HydrophobicContact CE1-CB 4.07Å; Y33-E37 HydrophobicContact CE1-CG 4.48Å; Y33-E37 VanDerWaalsContact O-CB 3.32Å; Y33-E37 WeakPolarHBondContact O-CB 3.27Å; Y33-E37 PolarHBondContact O-N 3.43Å; Y33-L161 HydrophobicContact CD2-CD2 4.45Å; Y33-L161 HydrophobicContact CE2-CD2 3.45Å; Y33-L161 VanDerWaalsContact CE2-CD2 3.45Å; Y33-L161 WeakPolarHBondContact OH-CD2 3.34Å; Y33-K197 HydrophobicContact CD2-CG 4.17Å; Y33-A200 HydrophobicContact CE2-CB 4.24Å; Y33-E201 HydrophobicContact CD2-CG 3.51Å; Y33-E201 HydrophobicContact CE2-CG 4.08Å; Y33-M204 HydrophobicContact CD2-CE 3.83Å; Y33-M204 HydrophobicContact CE1-CE 4.25Å; Y33-M204 HydrophobicContact CE2-CE 3.38Å; Y33-M204 HydrophobicContact CG-CE 4.41Å
34Q96.1Very high94.1Very high98 Ų9869.6 Ų69.646%0.45835%0.348SS..Hα-helixtrans-63.3-36.8-177.8-68174.333.800112.1L29 D30 E31 C32 K38L29-Q34 PolarHBondContact O-NE2 3.04Å; D30-Q34 WeakPolarHBondContact O-CG 3.23Å; D30-Q34 PolarHBondContact O-N 3.36Å; D30-Q34 VanDerWaalsContact O-N 3.16Å; E31-Q34 PolarHBondContact O-N 3.32Å; C32-Q34 PolarHBondContact O-N 3.39Å; Q34-K38 WeakPolarHBondContact O-CB 3.42Å; Q34-K38 PolarHBondContact O-N 2.97Å
35E97.4Very high94.9Very high114 Ų11475.7 Ų75.753%0.53337%0.374SS..Hα-helixtrans-66-45.9174.8-74.6-177.2-177.400112.4E31 C32 Y33 E37 K38 K39E31-E35 WeakPolarHBondContact O-CG 3.32Å; E31-E35 PolarHBondContact O-N 3.47Å; C32-E35 PolarHBondContact O-N 3.44Å; Y33-E35 VanDerWaalsContact C-N 3.31Å; Y33-E35 PolarHBondContact O-N 3.07Å; E35-E37 VanDerWaalsContact C-N 3.32Å; E35-K38 PolarHBondContact O-N 3.47Å; E35-K39 WeakPolarHBondContact O-CG 3.42Å; E35-K39 PolarHBondContact O-N 2.67Å
36L97.8Very high95.5Very high20 Ų2073.7 Ų73.711%0.10537%0.368CS..Hα-helixtrans-60.8-44.4175.2-75.9174000111.3C32 Y33 K38 K39 V40 M204 F205C32-L36 PolarHBondContact O-N 3.01Å; C32-L36 VanDerWaalsContact O-N 3.09Å; Y33-L36 PolarHBondContact O-N 2.92Å; L36-K38 PolarHBondContact O-N 3.18Å; L36-K39 PolarHBondContact O-N 2.88Å; L36-V40 WeakPolarHBondContact O-CG2 3.34Å; L36-V40 PolarHBondContact O-N 3.47Å; L36-M204 HydrophobicContact CB-CB 4.24Å; L36-M204 HydrophobicContact CB-CE 4.05Å; L36-M204 HydrophobicContact CB-SD 4.39Å; L36-F205 HydrophobicContact CD2-CD2 4.38Å
37E97.7Very high95.9Very high57 Ų5772.4 Ų72.427%0.26636%0.356SS..Hα-helixtrans-57.3-49.8177.3-179.2162.5-117.400111.4Y33 E35 K39 V40 D41 R158 M204Y33-E37 HydrophobicContact CD1-CB 4.39Å; Y33-E37 HydrophobicContact CE1-CB 4.07Å; Y33-E37 HydrophobicContact CE1-CG 4.48Å; Y33-E37 VanDerWaalsContact O-CB 3.32Å; Y33-E37 WeakPolarHBondContact O-CB 3.27Å; Y33-E37 PolarHBondContact O-N 3.43Å; E35-E37 VanDerWaalsContact C-N 3.32Å; E37-K39 PolarHBondContact O-N 2.89Å; E37-V40 PolarHBondContact O-N 3.47Å; E37-D41 PolarHBondContact O-N 3.2Å; E37-R158 IonicContact OE1-CZ 2.94Å; E37-R158 IonicContact OE1-NE 3.47Å; E37-R158 PolarHBondContact OE1-NE 3.32Å; E37-R158 IonicContact OE1-NH2 2.77Å; E37-R158 PolarHBondContact OE1-NH2 3.3Å; E37-M204 HydrophobicContact CB-SD 4.22Å
38K97.9Very high96.3Very high143 Ų14375.7 Ų75.762%0.62237%0.373SS*.Hα-helixtrans-60.1-44.2177.4-178-179.8177.4-1770112.4Q34 E35 L36 D41 I42Q34-K38 WeakPolarHBondContact O-CB 3.42Å; Q34-K38 PolarHBondContact O-N 2.97Å; E35-K38 PolarHBondContact O-N 3.47Å; L36-K38 PolarHBondContact O-N 3.18Å; K38-D41 PolarHBondContact O-N 3.38Å; K38-I42 HydrophobicContact CG-CD1 4Å; K38-I42 WeakPolarHBondContact O-CG1 3.49Å; K38-I42 PolarHBondContact O-N 3.39Å; K38-I42 VanDerWaalsContact O-N 3.09Å
39K97.9Very high96.7Very high107 Ų10772.6 Ų72.647%0.46536%0.364SS..Hα-helixtrans-63.4-42.9179.6-74.4177.7-177.4175.80111.6E35 L36 E37 T43 I208E35-K39 WeakPolarHBondContact O-CG 3.42Å; E35-K39 PolarHBondContact O-N 2.67Å; L36-K39 PolarHBondContact O-N 2.88Å; E37-K39 PolarHBondContact O-N 2.89Å; K39-T43 WeakPolarHBondContact O-CB 3.45Å; K39-T43 PolarHBondContact O-N 3.09Å; K39-T43 PolarHBondContact O-OG1 3.06Å; K39-I208 HydrophobicContact CB-CD1 3.8Å; K39-I208 HydrophobicContact CB-CG1 4.2Å; K39-I208 HydrophobicContact CD-CG2 4.33Å
40V97.9Very high96.9Very high0 Ų073.7 Ų73.70%037%0.369CS..Hα-helixtrans-67.5-39.3178.1168.70000112L36 E37 T43 T44 L151 V154 M204 I208L36-V40 WeakPolarHBondContact O-CG2 3.34Å; L36-V40 PolarHBondContact O-N 3.47Å; E37-V40 PolarHBondContact O-N 3.47Å; V40-T43 PolarHBondContact O-N 3.25Å; V40-T44 PolarHBondContact O-N 2.91Å; V40-T44 PolarHBondContact O-OG1 3.13Å; V40-L151 HydrophobicContact CG1-CD2 3.78Å; V40-V154 HydrophobicContact CG1-CG1 3.92Å; V40-M204 HydrophobicContact CG2-CB 3.82Å; V40-M204 HydrophobicContact CG2-CG 3.93Å; V40-I208 HydrophobicContact CG2-CD1 3.91Å; V40-I208 HydrophobicContact CG2-CG1 3.89Å
41D98Very high97Very high59 Ų5970.6 Ų70.632%0.31635%0.353SS..Hα-helixtrans-61.6-47.9177-75.1-23.3000110.8E37 K38 T43 T44 E45 R158E37-D41 PolarHBondContact O-N 3.2Å; K38-D41 PolarHBondContact O-N 3.38Å; D41-T43 VanDerWaalsContact C-N 3.31Å; D41-T43 PolarHBondContact O-N 3.4Å; D41-T44 WeakPolarHBondContact O-CB 3.35Å; D41-T44 PolarHBondContact O-N 3.35Å; D41-E45 PolarHBondContact O-N 2.97Å; D41-R158 IonicContact OD1-CZ 2.69Å; D41-R158 IonicContact OD1-NH1 3.87Å; D41-R158 PolarHBondContact OD1-NH1 3.31Å; D41-R158 IonicContact OD1-NH2 3.77Å; D41-R158 PolarHBondContact OD1-NH2 2.83Å; D41-R158 IonicContact OD2-CZ 2.8Å; D41-R158 IonicContact OD2-NH1 3.93Å; D41-R158 IonicContact OD2-NH2 2.89Å; D41-R158 PolarHBondContact OD2-NH2 3.02Å; D41-R158 VanDerWaalsContact OD2-NH2 3.08Å
42I97.9Very high97.1Very high95 Ų9566.1 Ų66.149%0.48734%0.336SS..Hα-helixtrans-60.2-42.1174.5-66.6166.8000111.2K38 T44 E45 L46K38-I42 HydrophobicContact CG-CD1 4Å; K38-I42 WeakPolarHBondContact O-CG1 3.49Å; K38-I42 PolarHBondContact O-N 3.39Å; K38-I42 VanDerWaalsContact O-N 3.09Å; I42-T44 VanDerWaalsContact C-N 3.31Å; I42-T44 PolarHBondContact O-N 3.14Å; I42-E45 PolarHBondContact O-N 3.46Å; I42-L46 VanDerWaalsContact O-CB 3.22Å; I42-L46 WeakPolarHBondContact O-CB 3.42Å; I42-L46 PolarHBondContact O-N 3.29Å
43T96.5Very high97.3Very high17 Ų1767 Ų6710%0.10433%0.331CS..Hα-helixtrans-63.2-39.9178.9-57.20000111.2K39 V40 D41 L46 I47K39-T43 WeakPolarHBondContact O-CB 3.45Å; K39-T43 PolarHBondContact O-N 3.09Å; K39-T43 PolarHBondContact O-OG1 3.06Å; V40-T43 PolarHBondContact O-N 3.25Å; D41-T43 VanDerWaalsContact C-N 3.31Å; D41-T43 PolarHBondContact O-N 3.4Å; T43-L46 PolarHBondContact O-N 3.21Å; T43-I47 HydrophobicContact CG2-CD1 3.83Å; T43-I47 WeakPolarHBondContact O-CD1 3.3Å; T43-I47 VanDerWaalsContact O-CG1 3.23Å; T43-I47 WeakPolarHBondContact O-CG1 3.45Å; T43-I47 PolarHBondContact O-N 3.46Å
44T97.3Very high97.3Very high33 Ų3367.2 Ų67.220%0.20233%0.332CS..Hα-helixtrans-64.2-48.1177.4-54.80000111V40 D41 I42 I47 D48 L147 L151V40-T44 PolarHBondContact O-N 2.91Å; V40-T44 PolarHBondContact O-OG1 3.13Å; D41-T44 WeakPolarHBondContact O-CB 3.35Å; D41-T44 PolarHBondContact O-N 3.35Å; I42-T44 VanDerWaalsContact C-N 3.31Å; I42-T44 PolarHBondContact O-N 3.14Å; T44-I47 PolarHBondContact O-N 3.19Å; T44-D48 PolarHBondContact O-N 3.47Å; T44-D48 VanDerWaalsContact O-N 3.17Å; T44-L147 HydrophobicContact CG2-CD2 4.14Å; T44-L151 HydrophobicContact CG2-CD1 4.45Å; T44-L151 WeakPolarHBondContact OG1-CD2 3.46Å
45E97.5Very high97.3Very high144 Ų14468.5 Ų68.567%0.67333%0.332SS*.Hα-helixtrans-62.3-43.3177.2-70.4178.6-168.700111.8D41 I42 I47 D48 D49D41-E45 PolarHBondContact O-N 2.97Å; I42-E45 PolarHBondContact O-N 3.46Å; E45-I47 PolarHBondContact O-N 3.48Å; E45-D48 PolarHBondContact O-N 2.83Å; E45-D49 PolarHBondContact O-N 3.36Å
46L96.3Very high97.2Very high100 Ų10066.3 Ų66.352%0.52432%0.322SS..Hα-helixtrans-56.7-49176.3170.965.1000111.3I42 T43 D48 D49 L50I42-L46 VanDerWaalsContact O-CB 3.22Å; I42-L46 WeakPolarHBondContact O-CB 3.42Å; I42-L46 PolarHBondContact O-N 3.29Å; T43-L46 PolarHBondContact O-N 3.21Å; L46-D48 PolarHBondContact O-N 3.13Å; L46-D49 PolarHBondContact O-N 2.86Å; L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 PolarHBondContact O-N 2.94Å
47I96.6Very high97.2Very high6 Ų671 Ų713%0.03134%0.342CS..Hα-helixtrans-66.3-41.3-176.6-64.1159.3000110.5T43 T44 E45 T51 L143 L146 L147 L151T43-I47 HydrophobicContact CG2-CD1 3.83Å; T43-I47 WeakPolarHBondContact O-CD1 3.3Å; T43-I47 VanDerWaalsContact O-CG1 3.23Å; T43-I47 WeakPolarHBondContact O-CG1 3.45Å; T43-I47 PolarHBondContact O-N 3.46Å; T44-I47 PolarHBondContact O-N 3.19Å; E45-I47 PolarHBondContact O-N 3.48Å; I47-T51 WeakPolarHBondContact O-CB 3.27Å; I47-T51 PolarHBondContact O-N 3.07Å; I47-T51 PolarHBondContact O-OG1 2.99Å; I47-L143 HydrophobicContact CG1-CD2 4.35Å; I47-L143 HydrophobicContact CG2-CB 3.87Å; I47-L143 HydrophobicContact CG2-CD2 4.1Å; I47-L143 HydrophobicContact CG2-CG 4.39Å; I47-L146 HydrophobicContact CD1-CD2 3.43Å; I47-L146 VanDerWaalsContact CD1-CD2 3.43Å; I47-L146 HydrophobicContact CD1-CG 3.93Å; I47-L146 HydrophobicContact CG1-CD2 4.47Å; I47-L147 HydrophobicContact CB-CD1 4.33Å; I47-L147 HydrophobicContact CB-CD2 4.33Å; I47-L147 HydrophobicContact CB-CG 4.21Å; I47-L147 HydrophobicContact CG2-CD1 3.55Å; I47-L147 HydrophobicContact CG2-CD2 4.27Å; I47-L147 HydrophobicContact CG2-CG 3.61Å; I47-L151 HydrophobicContact CD1-CD1 3.61Å
48D96.5Very high97.1Very high100 Ų10069 Ų6954%0.53533%0.333SS..Hα-helixtrans-64-44.5179.7-131.547.9000111.7T44 E45 L46 T52 L147T44-D48 PolarHBondContact O-N 3.47Å; T44-D48 VanDerWaalsContact O-N 3.17Å; E45-D48 PolarHBondContact O-N 2.83Å; L46-D48 PolarHBondContact O-N 3.13Å; D48-T52 PolarHBondContact O-N 3.45Å; D48-T52 VanDerWaalsContact O-N 3.14Å; D48-T52 PolarHBondContact O-OG1 3.15Å; D48-L147 WeakPolarHBondContact OD1-CD1 3.13Å
49D97.8Very high97Very high92 Ų9263.5 Ų63.549%0.49231%0.31SS..Hα-helixtrans-68.6-48177.5-169.548.7000111.4E45 L46 T51 T52 K53E45-D49 PolarHBondContact O-N 3.36Å; L46-D49 PolarHBondContact O-N 2.86Å; D49-T51 VanDerWaalsContact C-N 3.31Å; D49-T51 PolarHBondContact O-N 3.43Å; D49-T52 CarbonylContact O-C 3.56Å; D49-T52 WeakPolarHBondContact O-CA 3.33Å; D49-T52 WeakPolarHBondContact O-CB 3.49Å; D49-T52 PolarHBondContact O-N 3.49Å; D49-K53 WeakPolarHBondContact O-CB 3.47Å; D49-K53 VanDerWaalsContact O-CG 3.31Å; D49-K53 WeakPolarHBondContact O-CG 3.3Å; D49-K53 PolarHBondContact O-N 2.99Å
50L97Very high96.8Very high58 Ų5862.4 Ų62.430%0.30431%0.314SS..Hα-helixtrans-59.8-42.9179.6-169.661.5000111.3L46 T52 K53 T54 F139 L143L46-L50 WeakPolarHBondContact O-CB 3.37Å; L46-L50 PolarHBondContact O-N 2.94Å; L50-T52 VanDerWaalsContact C-N 3.29Å; L50-T52 PolarHBondContact O-N 3.05Å; L50-K53 PolarHBondContact O-N 2.97Å; L50-T54 VanDerWaalsContact O-CB 3.3Å; L50-T54 WeakPolarHBondContact O-CB 3.46Å; L50-T54 PolarHBondContact O-N 3.39Å; L50-T54 PolarHBondContact O-OG1 3.13Å; L50-F139 HydrophobicContact CD2-CE2 4.48Å; L50-F139 HydrophobicContact CD2-CZ 3.72Å; L50-F139 HydrophobicContact CG-CE1 4.44Å; L50-F139 HydrophobicContact CG-CZ 4.04Å; L50-L143 HydrophobicContact CD2-CD1 4.27Å
51T97.5Very high96.4Very high5 Ų565.6 Ų65.63%0.03133%0.331CS..Hα-helixtrans-61.7-39.6176.2-54.40000111.2I47 D49 R55 L140I47-T51 WeakPolarHBondContact O-CB 3.27Å; I47-T51 PolarHBondContact O-N 3.07Å; I47-T51 PolarHBondContact O-OG1 2.99Å; D49-T51 VanDerWaalsContact C-N 3.31Å; D49-T51 PolarHBondContact O-N 3.43Å; T51-R55 VanDerWaalsContact CG2-NH1 3.27Å; T51-R55 WeakPolarHBondContact O-CG 3.22Å; T51-R55 PolarHBondContact O-N 3.26Å; T51-L140 HydrophobicContact CG2-CD2 4Å
52T96.4Very high96Very high56 Ų5666.7 Ų66.734%0.34434%0.341SS..Hα-helixtrans-68.5-50.2176.9-60.30000111.3D48 D49 L50 T54 R55 E56D48-T52 PolarHBondContact O-N 3.45Å; D48-T52 VanDerWaalsContact O-N 3.14Å; D48-T52 PolarHBondContact O-OG1 3.15Å; D49-T52 CarbonylContact O-C 3.56Å; D49-T52 WeakPolarHBondContact O-CA 3.33Å; D49-T52 WeakPolarHBondContact O-CB 3.49Å; D49-T52 PolarHBondContact O-N 3.49Å; L50-T52 VanDerWaalsContact C-N 3.29Å; L50-T52 PolarHBondContact O-N 3.05Å; T52-T54 PolarHBondContact O-N 3.33Å; T52-R55 PolarHBondContact O-N 3.34Å; T52-E56 WeakPolarHBondContact O-CG 3.48Å; T52-E56 PolarHBondContact O-N 2.94Å
53K97.8Very high95.5Very high101 Ų10163.5 Ų63.544%0.43933%0.328SS..Hα-helixtrans-65.5-36.8-177.9-65.2-64.1165-157.30113D49 L50 E56 F57D49-K53 WeakPolarHBondContact O-CB 3.47Å; D49-K53 VanDerWaalsContact O-CG 3.31Å; D49-K53 WeakPolarHBondContact O-CG 3.3Å; D49-K53 PolarHBondContact O-N 2.99Å; L50-K53 PolarHBondContact O-N 2.97Å; K53-E56 WeakPolarHBondContact CD-OE2 3.47Å; K53-E56 IonicContact NZ-OE2 2.7Å; K53-E56 PolarHBondContact NZ-OE2 3.32Å; K53-E56 PolarHBondContact O-N 3.05Å; K53-F57 VanDerWaalsContact O-CB 3.27Å; K53-F57 WeakPolarHBondContact O-CB 3.34Å; K53-F57 PolarHBondContact O-N 3.38Å
54T98.2Very high95.1Very high7 Ų763.9 Ų63.94%0.04333%0.331CS..Hα-helixtrans-66.8-36.9174.4-62.20000111.8L50 T52 F57 L58 V135 F139 L140 F221L50-T54 VanDerWaalsContact O-CB 3.3Å; L50-T54 WeakPolarHBondContact O-CB 3.46Å; L50-T54 PolarHBondContact O-N 3.39Å; L50-T54 PolarHBondContact O-OG1 3.13Å; T52-T54 PolarHBondContact O-N 3.33Å; T54-F57 PolarHBondContact O-N 3.47Å; T54-L58 HydrophobicContact CG2-CD1 4.34Å; T54-L58 WeakPolarHBondContact O-CG 3.47Å; T54-L58 PolarHBondContact O-N 3.24Å; T54-V135 HydrophobicContact CG2-CG1 3.8Å; T54-F139 HydrophobicContact CG2-CD1 4.1Å; T54-F139 HydrophobicContact CG2-CE1 4.06Å; T54-L140 HydrophobicContact CG2-CD1 4.46Å; T54-L140 HydrophobicContact CG2-CD2 3.78Å; T54-L140 HydrophobicContact CG2-CG 4.28Å; T54-F221 HydrophobicContact CG2-CD2 4.42Å; T54-F221 HydrophobicContact CG2-CE2 3.94Å; T54-F221 HydrophobicContact CG2-CZ 4.49Å
55R95.4Very high94.7Very high124 Ų12465 Ų6547%0.46833%0.331SS..Hα-helixtrans-66.1-40.5173.3-70.4179.9-165.7118.6-3112.2T51 T52 Q59 L140T51-R55 VanDerWaalsContact CG2-NH1 3.27Å; T51-R55 WeakPolarHBondContact O-CG 3.22Å; T51-R55 PolarHBondContact O-N 3.26Å; T52-R55 PolarHBondContact O-N 3.34Å; R55-Q59 PolarHBondContact O-N 3.42Å; R55-L140 HydrophobicContact CG-CD1 3.91Å
56E95.6Very high94Very high68 Ų6860.8 Ų60.832%0.31832%0.321SS..Hα-helixtrans-63.9-41174.6-70.5175.817200111.5T52 K53 Q59 P60T52-E56 WeakPolarHBondContact O-CG 3.48Å; T52-E56 PolarHBondContact O-N 2.94Å; K53-E56 WeakPolarHBondContact CD-OE2 3.47Å; K53-E56 IonicContact NZ-OE2 2.7Å; K53-E56 PolarHBondContact NZ-OE2 3.32Å; K53-E56 PolarHBondContact O-N 3.05Å; E56-Q59 CarbonylContact O-C 3.45Å; E56-P60 WeakPolarHBondContact O-CA 3.45Å
57F97.1Very high93.3Very high119 Ų11962 Ų6252%0.52232%0.322SS..Hα-helixtrans-61.7-46.3176.4171.2-101.4000112.4K53 T54 F221K53-F57 VanDerWaalsContact O-CB 3.27Å; K53-F57 WeakPolarHBondContact O-CB 3.34Å; K53-F57 PolarHBondContact O-N 3.38Å; T54-F57 PolarHBondContact O-N 3.47Å; F57-F221 HydrophobicContact CD1-CZ 4.3Å; F57-F221 HydrophobicContact CE1-CZ 4.18Å
58L96.4Very high92.6Very high14 Ų1462.2 Ų62.27%0.07332%0.323CS..Hα-helixtrans-69.7-39.8180-69.1175.7000112.5T54 L131 E132 V135 L140T54-L58 HydrophobicContact CG2-CD1 4.34Å; T54-L58 WeakPolarHBondContact O-CG 3.47Å; T54-L58 PolarHBondContact O-N 3.24Å; L58-L131 HydrophobicContact CD2-CD2 4.33Å; L58-L131 HydrophobicContact CD2-CG 4.45Å; L58-E132 HydrophobicContact CB-CG 4.23Å; L58-E132 HydrophobicContact CD1-CG 4.47Å; L58-E132 HydrophobicContact CD2-CG 4.29Å; L58-V135 HydrophobicContact CD1-CB 4.02Å; L58-V135 HydrophobicContact CD1-CG1 3.72Å; L58-L140 HydrophobicContact CD1-CD1 4.5Å
59Q95Very high91.9Very high29 Ų2960 Ų6014%0.13632%0.319CS..SBendtrans-129.974.3-173.1-66.5178.9-3.300111.2R55 E56 N61 R65 Y86 E132R55-Q59 PolarHBondContact O-N 3.42Å; E56-Q59 CarbonylContact O-C 3.45Å; Q59-N61 PolarHBondContact O-N 3Å; Q59-R65 HydrophobicContact CB-CG 3.99Å; Q59-R65 VanDerWaalsContact O-CD 3.28Å; Q59-R65 WeakPolarHBondContact O-CD 3.27Å; Q59-R65 PolarHBondContact O-NH1 3.03Å; Q59-Y86 HydrophobicContact CB-CD1 4.43Å; Q59-Y86 HydrophobicContact CB-CD2 3.73Å; Q59-Y86 HydrophobicContact CB-CE1 4.45Å; Q59-Y86 HydrophobicContact CB-CE2 3.73Å; Q59-Y86 HydrophobicContact CB-CG 4.1Å; Q59-Y86 HydrophobicContact CG-CD1 4.1Å; Q59-Y86 HydrophobicContact CG-CD2 3.85Å; Q59-Y86 HydrophobicContact CG-CE2 4.31Å; Q59-Y86 HydrophobicContact CG-CG 3.74Å; Q59-E132 PolarHBondContact NE2-OE2 3.33Å
60P93.5Very high91Very high84 Ų8459.5 Ų59.555%0.54532%0.319SS..  trans-59.9-35.8-164.5-28.536.5000116.7E56 P62 R65E56-P60 WeakPolarHBondContact O-CA 3.45Å; P60-P62 WeakPolarHBondContact O-CD 3.48Å; P60-R65 VanDerWaalsContact C-NH1 3.25Å; P60-R65 PolarHBondContact O-NH1 3.3Å
61N91.1Very high90Very high67 Ų6758.8 Ų58.836%0.35832%0.317SS..  trans-76.1110.2-173.9-175.6-27.2000111.6Q59 A63 T64 R65 Y86Q59-N61 PolarHBondContact O-N 3Å; N61-A63 PolarHBondContact O-N 3.1Å; N61-A63 WeakPolarHBondContact OD1-CB 3.44Å; N61-A63 PolarHBondContact OD1-N 3.37Å; N61-T64 VanDerWaalsContact CG-OG1 3.24Å; N61-T64 PolarHBondContact ND2-OG1 3.01Å; N61-T64 PolarHBondContact O-N 2.84Å; N61-T64 PolarHBondContact OD1-N 2.83Å; N61-R65 WeakPolarHBondContact O-CG 3.46Å; N61-R65 PolarHBondContact O-N 3.13Å; N61-R65 VanDerWaalsContact O-N 3.12Å; N61-Y86 HydrophobicContact CB-CE2 4.39Å; N61-Y86 WeakPolarHBondContact CB-OH 3.46Å; N61-Y86 PolarHBondContact N-OH 3.1Å; N61-Y86 VanDerWaalsContact N-OH 3.08Å
62P89.4Confident88.9Confident82 Ų8264.5 Ų64.553%0.53234%0.338SS..Hα-helixtrans-66.7-34.5-177.928-34.4000113P60 T64 R65 A66P60-P62 WeakPolarHBondContact O-CD 3.48Å; P62-T64 VanDerWaalsContact C-N 3.32Å; P62-T64 PolarHBondContact O-N 3.17Å; P62-R65 PolarHBondContact O-N 3.5Å; P62-A66 WeakPolarHBondContact O-CB 3.23Å; P62-A66 PolarHBondContact O-N 2.81Å
63A87.2Confident87.9Confident27 Ų2766.4 Ų66.422%0.22335%0.35CS..Hα-helixtrans-64.7-40.2178.700000110.9N61 A66 K67 T379N61-A63 PolarHBondContact O-N 3.1Å; N61-A63 WeakPolarHBondContact OD1-CB 3.44Å; N61-A63 PolarHBondContact OD1-N 3.37Å; A63-A66 PolarHBondContact O-N 3.44Å; A63-K67 WeakPolarHBondContact O-CB 3.38Å; A63-K67 PolarHBondContact O-N 3.14Å; A63-T379 HydrophobicContact CB-CG2 4.26Å
64T87.8Confident86.6Confident25 Ų2565.6 Ų65.615%0.15335%0.349CS..Hα-helixtrans-64.8-44.7174.2-56.40000111.4N61 P62 A66 K67 M68 Y86 P87N61-T64 VanDerWaalsContact CG-OG1 3.24Å; N61-T64 PolarHBondContact ND2-OG1 3.01Å; N61-T64 PolarHBondContact O-N 2.84Å; N61-T64 PolarHBondContact OD1-N 2.83Å; P62-T64 VanDerWaalsContact C-N 3.32Å; P62-T64 PolarHBondContact O-N 3.17Å; T64-A66 VanDerWaalsContact C-N 3.32Å; T64-A66 PolarHBondContact O-N 3.15Å; T64-K67 PolarHBondContact O-N 3.39Å; T64-M68 HydrophobicContact CG2-SD 4.39Å; T64-M68 WeakPolarHBondContact O-CG 3.45Å; T64-M68 PolarHBondContact O-N 2.99Å; T64-Y86 HydrophobicContact CG2-CD2 3.54Å; T64-Y86 HydrophobicContact CG2-CE2 3.54Å; T64-Y86 HydrophobicContact CG2-CG 4.41Å; T64-P87 HydrophobicContact CG2-CG 3.83Å
65R88.2Confident85.2Confident57 Ų5765.9 Ų65.922%0.21535%0.352CS..Hα-helixtrans-58.7-42.7174.6-64.9-165.5-55.6-87.88.1111.9Q59 P60 N61 P62 M68 A69 Y86Q59-R65 HydrophobicContact CB-CG 3.99Å; Q59-R65 VanDerWaalsContact O-CD 3.28Å; Q59-R65 WeakPolarHBondContact O-CD 3.27Å; Q59-R65 PolarHBondContact O-NH1 3.03Å; P60-R65 VanDerWaalsContact C-NH1 3.25Å; P60-R65 PolarHBondContact O-NH1 3.3Å; N61-R65 WeakPolarHBondContact O-CG 3.46Å; N61-R65 PolarHBondContact O-N 3.13Å; N61-R65 VanDerWaalsContact O-N 3.12Å; P62-R65 PolarHBondContact O-N 3.5Å; R65-M68 PolarHBondContact O-N 3.45Å; R65-A69 PolarHBondContact O-N 3.08Å; R65-Y86 HydrophobicContact CG-CE2 4.46Å
66A84Confident84.1Confident55 Ų5568.6 Ų68.646%0.45537%0.367SS..Hα-helixtrans-65-42.9178.300000112.4P62 A63 T64 M68 A69 T70P62-A66 WeakPolarHBondContact O-CB 3.23Å; P62-A66 PolarHBondContact O-N 2.81Å; A63-A66 PolarHBondContact O-N 3.44Å; T64-A66 VanDerWaalsContact C-N 3.32Å; T64-A66 PolarHBondContact O-N 3.15Å; A66-M68 VanDerWaalsContact C-N 3.32Å; A66-M68 PolarHBondContact O-N 2.99Å; A66-A69 PolarHBondContact O-N 2.69Å; A66-T70 PolarHBondContact O-N 3.22Å; A66-T70 PolarHBondContact O-OG1 3.03Å
67K81.9Confident82.9Confident125 Ų12572.2 Ų72.254%0.54339%0.388SS..Hα-helixtrans-59.4-44.1173.9-171.7177.5-179.4-1800111A63 T64 T70 V71A63-K67 WeakPolarHBondContact O-CB 3.38Å; A63-K67 PolarHBondContact O-N 3.14Å; T64-K67 PolarHBondContact O-N 3.39Å; K67-T70 WeakPolarHBondContact O-CB 3.41Å; K67-T70 PolarHBondContact O-N 3.36Å; K67-V71 WeakPolarHBondContact O-CG2 3.44Å; K67-V71 PolarHBondContact O-N 3.03Å
68M81.2Confident81.8Confident12 Ų1272.6 Ų72.66%0.05939%0.391CS..Hα-helixtrans-63-41.7176.5-69.7170.770.500112.8T64 R65 A66 T70 V71 R72 M84 Y86T64-M68 HydrophobicContact CG2-SD 4.39Å; T64-M68 WeakPolarHBondContact O-CG 3.45Å; T64-M68 PolarHBondContact O-N 2.99Å; R65-M68 PolarHBondContact O-N 3.45Å; A66-M68 VanDerWaalsContact C-N 3.32Å; A66-M68 PolarHBondContact O-N 2.99Å; M68-T70 VanDerWaalsContact C-N 3.29Å; M68-T70 PolarHBondContact O-N 3.38Å; M68-V71 PolarHBondContact O-N 3.36Å; M68-R72 WeakPolarHBondContact O-CG 3.24Å; M68-R72 PolarHBondContact O-N 2.95Å; M68-M84 WeakPolarHBondContact CE-O 3.42Å; M68-Y86 VanDerWaalsContact CE-N 3.34Å; M68-Y86 VanDerWaalsContact SD-CA 3.54Å; M68-Y86 HydrophobicContact SD-CD2 3.79Å; M68-Y86 HydrophobicContact SD-CG 4.19Å
69A81.3Confident80.5Confident53 Ų5375.3 Ų75.344%0.43842%0.422SS..Hα-helixtrans-61.3-39.9176.500000111.8R65 A66 T73R65-A69 PolarHBondContact O-N 3.08Å; A66-A69 PolarHBondContact O-N 2.69Å; A69-T73 PolarHBondContact O-N 3.2Å; A69-T73 VanDerWaalsContact O-N 3.12Å; A69-T73 PolarHBondContact O-OG1 3.48Å
70T79.4Confident79.3Confident82 Ų8277 Ų7750%0.50343%0.434SS..Hα-helixtrans-64.8-48.6175.3-53.80000111.1A66 K67 M68 R72 T73 I74A66-T70 PolarHBondContact O-N 3.22Å; A66-T70 PolarHBondContact O-OG1 3.03Å; K67-T70 WeakPolarHBondContact O-CB 3.41Å; K67-T70 PolarHBondContact O-N 3.36Å; M68-T70 VanDerWaalsContact C-N 3.29Å; M68-T70 PolarHBondContact O-N 3.38Å; T70-R72 PolarHBondContact O-N 2.84Å; T70-T73 WeakPolarHBondContact O-CB 3.28Å; T70-T73 PolarHBondContact O-N 2.94Å; T70-T73 VanDerWaalsContact O-N 3.11Å; T70-I74 HydrophobicContact CG2-CD1 3.9Å; T70-I74 HydrophobicContact CG2-CG1 4.49Å; T70-I74 WeakPolarHBondContact O-CG1 3.43Å; T70-I74 PolarHBondContact O-N 2.66Å
71V76.4Confident77.7Confident42 Ų4279.9 Ų79.926%0.25545%0.451SS..Hα-helixtrans-59.5-44.1177.4171.60000111.3K67 M68 T73 I74 S75K67-V71 WeakPolarHBondContact O-CG2 3.44Å; K67-V71 PolarHBondContact O-N 3.03Å; M68-V71 PolarHBondContact O-N 3.36Å; V71-T73 VanDerWaalsContact C-N 3.27Å; V71-T73 PolarHBondContact O-N 3.46Å; V71-I74 PolarHBondContact O-N 2.99Å; V71-S75 VanDerWaalsContact O-CB 3.28Å; V71-S75 WeakPolarHBondContact O-CB 3.13Å; V71-S75 PolarHBondContact O-N 3.24Å; V71-S75 PolarHBondContact O-OG 3.31Å; V71-S75 VanDerWaalsContact O-OG 3.08Å
72R74.4Confident76.2Confident125 Ų12584.7 Ų84.747%0.47247%0.468SS..Hα-helixtrans-59.5-38.8175.9-75.3178.2-176.1170.71.7112.2M68 T70 K76M68-R72 WeakPolarHBondContact O-CG 3.24Å; M68-R72 PolarHBondContact O-N 2.95Å; T70-R72 PolarHBondContact O-N 2.84Å; R72-K76 WeakPolarHBondContact O-CG 3.47Å; R72-K76 PolarHBondContact O-N 2.95Å; R72-K76 VanDerWaalsContact O-N 3.1Å
73T74.8Confident75.2Confident96 Ų9684 Ų8459%0.58947%0.47SS*.Hα-helixtrans-68.1-45.4178.2-55.40000111.1A69 T70 V71 S75 K76 L77A69-T73 PolarHBondContact O-N 3.2Å; A69-T73 VanDerWaalsContact O-N 3.12Å; A69-T73 PolarHBondContact O-OG1 3.48Å; T70-T73 WeakPolarHBondContact O-CB 3.28Å; T70-T73 PolarHBondContact O-N 2.94Å; T70-T73 VanDerWaalsContact O-N 3.11Å; V71-T73 VanDerWaalsContact C-N 3.27Å; V71-T73 PolarHBondContact O-N 3.46Å; T73-S75 PolarHBondContact O-N 3.47Å; T73-K76 PolarHBondContact O-N 3.38Å; T73-L77 PolarHBondContact O-N 2.96Å; T73-L77 VanDerWaalsContact O-N 3.14Å
74I71Confident74.6Confident85 Ų8587.7 Ų87.744%0.43648%0.484SS..Hα-helixtrans-62.2-42.9175.9-67170.8000110.9T70 V71 K76 L77 H78T70-I74 HydrophobicContact CG2-CD1 3.9Å; T70-I74 HydrophobicContact CG2-CG1 4.49Å; T70-I74 WeakPolarHBondContact O-CG1 3.43Å; T70-I74 PolarHBondContact O-N 2.66Å; V71-I74 PolarHBondContact O-N 2.99Å; I74-K76 PolarHBondContact O-N 3.15Å; I74-L77 WeakPolarHBondContact O-CB 3.4Å; I74-L77 PolarHBondContact O-N 3.41Å; I74-L77 VanDerWaalsContact O-N 3.16Å; I74-H78 WeakPolarHBondContact CG2-ND1 3.48Å; I74-H78 PolarHBondContact O-N 2.94Å; I74-H78 PolarHBondContact O-ND1 2.81Å
75S67.5Low74.5Confident13 Ų1390.1 Ų90.19%0.09150%0.5CS..Hα-helixtrans-62.8-42.2179.5-73.90000112.1V71 T73 L77 H78 G79 T80 K82V71-S75 VanDerWaalsContact O-CB 3.28Å; V71-S75 WeakPolarHBondContact O-CB 3.13Å; V71-S75 PolarHBondContact O-N 3.24Å; V71-S75 PolarHBondContact O-OG 3.31Å; V71-S75 VanDerWaalsContact O-OG 3.08Å; T73-S75 PolarHBondContact O-N 3.47Å; S75-L77 VanDerWaalsContact C-N 3.32Å; S75-L77 PolarHBondContact O-N 3.05Å; S75-H78 PolarHBondContact O-N 3.44Å; S75-G79 PolarHBondContact O-N 2.97Å; S75-G79 VanDerWaalsContact O-N 3.14Å; S75-T80 CarbonylContact C-O 3.31Å; S75-T80 VanDerWaalsContact C-O 3.31Å; S75-T80 VanDerWaalsContact CB-O 3.24Å; S75-T80 WeakPolarHBondContact CB-O 3.39Å; S75-T80 PolarHBondContact O-N 2.95Å; S75-K82 PolarHBondContact OG-O 3.24Å
76K74.2Confident74.6Confident181 Ų18188 Ų8879%0.78749%0.492SS*.Hα-helixtrans-60.2-40.8172.1-74.3177.5-179.1-176.90112.3R72 T73 I74 G79R72-K76 WeakPolarHBondContact O-CG 3.47Å; R72-K76 PolarHBondContact O-N 2.95Å; R72-K76 VanDerWaalsContact O-N 3.1Å; T73-K76 PolarHBondContact O-N 3.38Å; I74-K76 PolarHBondContact O-N 3.15Å; K76-G79 PolarHBondContact O-N 3.43Å
77L69Low75.1Confident144 Ų14488 Ų8875%0.75449%0.487SS*.Hα-helixtrans-65.8-40.7178.8-174.570000112.3T73 I74 S75 G79T73-L77 PolarHBondContact O-N 2.96Å; T73-L77 VanDerWaalsContact O-N 3.14Å; I74-L77 WeakPolarHBondContact O-CB 3.4Å; I74-L77 PolarHBondContact O-N 3.41Å; I74-L77 VanDerWaalsContact O-N 3.16Å; S75-L77 VanDerWaalsContact C-N 3.32Å; S75-L77 PolarHBondContact O-N 3.05Å; L77-G79 VanDerWaalsContact C-N 3.27Å; L77-G79 PolarHBondContact O-N 2.95Å
78H74Confident75.8Confident127 Ų12782.1 Ų82.159%0.58846%0.461SS*.THydrogen-bonded Turntrans-84.21.4-179.2-66.886.5000113.4I74 S75 T80I74-H78 WeakPolarHBondContact CG2-ND1 3.48Å; I74-H78 PolarHBondContact O-N 2.94Å; I74-H78 PolarHBondContact O-ND1 2.81Å; S75-H78 PolarHBondContact O-N 3.44Å; H78-T80 HydrophobicContact CB-CG2 4.1Å; H78-T80 PolarHBondContact O-N 3.14Å; H78-T80 VanDerWaalsContact O-N 3.15Å
79G70.2Confident76.5Confident71 Ų7185.2 Ų85.273%0.73248%0.482SS*.THydrogen-bonded Turntrans62.816-174.500000113.7S75 K76 L77S75-G79 PolarHBondContact O-N 2.97Å; S75-G79 VanDerWaalsContact O-N 3.14Å; K76-G79 PolarHBondContact O-N 3.43Å; L77-G79 VanDerWaalsContact C-N 3.27Å; L77-G79 PolarHBondContact O-N 2.95Å
80T69Low77.2Confident63 Ų6384.8 Ų84.839%0.38747%0.471SS..  trans-96.8139179.164.30000109.9S75 H78 K82S75-T80 CarbonylContact C-O 3.31Å; S75-T80 VanDerWaalsContact C-O 3.31Å; S75-T80 VanDerWaalsContact CB-O 3.24Å; S75-T80 WeakPolarHBondContact CB-O 3.39Å; S75-T80 PolarHBondContact O-N 2.95Å; H78-T80 HydrophobicContact CB-CG2 4.1Å; H78-T80 PolarHBondContact O-N 3.14Å; H78-T80 VanDerWaalsContact O-N 3.15Å; T80-K82 VanDerWaalsContact C-N 3.26Å; T80-K82 PolarHBondContact O-N 3.5Å
81T60.8Low78.1Confident146 Ų14681.4 Ų81.490%0.89645%0.452SS*.  trans-88.115.6177.848.50000113.5A83T81-A83 PolarHBondContact O-N 2.7Å
82K59.1Low79.1Confident167 Ų16783 Ų8373%0.72646%0.462SS*.  trans-68.194.4179.8-69.3-171.1179-177.20109.7S75 T80S75-K82 PolarHBondContact OG-O 3.24Å; T80-K82 VanDerWaalsContact C-N 3.26Å; T80-K82 PolarHBondContact O-N 3.5Å
83A67.8Low80.2Confident68 Ų6880.9 Ų80.956%0.56246%0.46SS*.PPolyproline II helixtrans-94127.1165.700000107.9T81T81-A83 PolarHBondContact O-N 2.7Å
84M74.2Confident81.4Confident105 Ų10576.3 Ų76.352%0.51743%0.432SS..PPolyproline II helixtrans-85.4121.1168.4-169.4178-175.600107.5M68M68-M84 WeakPolarHBondContact CE-O 3.42Å
85P85.6Confident82.7Confident75 Ų7576.1 Ų76.149%0.48743%0.432SS..PPolyproline II helixtrans-69.5160.9174.530.7-34.4000110.6P87 Y129P85-P87 WeakPolarHBondContact O-CD 3.48Å; P85-Y129 HydrophobicContact CB-CD1 4.41Å; P85-Y129 HydrophobicContact CB-CE1 3.7Å; P85-Y129 HydrophobicContact CG-CE1 4.49Å
86Y91.8Very high84.2Confident14 Ų1478 Ų786%0.05545%0.445CS..PPolyproline II helixtrans-68.2119.7177.5-179.2-89.3000109.3Q59 N61 T64 R65 M68 Q88 Y129Q59-Y86 HydrophobicContact CB-CD1 4.43Å; Q59-Y86 HydrophobicContact CB-CD2 3.73Å; Q59-Y86 HydrophobicContact CB-CE1 4.45Å; Q59-Y86 HydrophobicContact CB-CE2 3.73Å; Q59-Y86 HydrophobicContact CB-CG 4.1Å; Q59-Y86 HydrophobicContact CG-CD1 4.1Å; Q59-Y86 HydrophobicContact CG-CD2 3.85Å; Q59-Y86 HydrophobicContact CG-CE2 4.31Å; Q59-Y86 HydrophobicContact CG-CG 3.74Å; N61-Y86 HydrophobicContact CB-CE2 4.39Å; N61-Y86 WeakPolarHBondContact CB-OH 3.46Å; N61-Y86 PolarHBondContact N-OH 3.1Å; N61-Y86 VanDerWaalsContact N-OH 3.08Å; T64-Y86 HydrophobicContact CG2-CD2 3.54Å; T64-Y86 HydrophobicContact CG2-CE2 3.54Å; T64-Y86 HydrophobicContact CG2-CG 4.41Å; R65-Y86 HydrophobicContact CG-CE2 4.46Å; M68-Y86 VanDerWaalsContact CE-N 3.34Å; M68-Y86 VanDerWaalsContact SD-CA 3.54Å; M68-Y86 HydrophobicContact SD-CD2 3.79Å; M68-Y86 HydrophobicContact SD-CG 4.19Å; Y86-Q88 PolarHBondContact O-N 2.97Å; Y86-Q88 PolarHBondContact O-NE2 2.94Å; Y86-Y129 WeakPolarHBondContact O-CE1 3.35Å; Y86-Y129 PolarHBondContact O-OH 3.2Å
87P93.5Very high85.3Confident53 Ų5371.4 Ų71.434%0.34442%0.417SS..  trans-62.3112.1-178.525.2-34.5000111T64 P85 V92T64-P87 HydrophobicContact CG2-CG 3.83Å; P85-P87 WeakPolarHBondContact O-CD 3.48Å; P87-V92 HydrophobicContact CB-CG2 4.24Å
88Q96.3Very high86.7Confident2 Ų267.2 Ų67.21%0.00939%0.393CS..  trans-72.8126.8177.9-58.7-57.1-20.500110.4Y86 E90 G91 V92 A125 K128 Y129 E132Y86-Q88 PolarHBondContact O-N 2.97Å; Y86-Q88 PolarHBondContact O-NE2 2.94Å; Q88-E90 PolarHBondContact O-N 2.91Å; Q88-G91 WeakPolarHBondContact O-CA 3.39Å; Q88-G91 PolarHBondContact O-N 3.3Å; Q88-V92 PolarHBondContact O-N 3.2Å; Q88-A125 HydrophobicContact CB-CB 3.78Å; Q88-A125 HydrophobicContact CG-CB 4.24Å; Q88-K128 HydrophobicContact CB-CD 4.48Å; Q88-K128 HydrophobicContact CG-CB 4.28Å; Q88-K128 HydrophobicContact CG-CD 4.29Å; Q88-K128 HydrophobicContact CG-CG 4.36Å; Q88-Y129 HydrophobicContact CG-CD1 4.14Å; Q88-Y129 HydrophobicContact CG-CD2 4.31Å; Q88-Y129 HydrophobicContact CG-CE1 3.69Å; Q88-Y129 HydrophobicContact CG-CE2 3.88Å; Q88-Y129 HydrophobicContact CG-CG 4.43Å; Q88-E132 PolarHBondContact NE2-OE1 3.18Å
89P96.3Very high87.9Confident77 Ų7767 Ų6750%0.539%0.39SS..Hα-helixtrans-53.7-38-179.7-28.335000113.9G91 V92 L93P89-G91 VanDerWaalsContact C-N 3.32Å; P89-G91 PolarHBondContact O-N 3.14Å; P89-V92 PolarHBondContact O-N 2.75Å; P89-L93 WeakPolarHBondContact O-CB 3.47Å; P89-L93 PolarHBondContact O-N 3.16Å
90E96.9Very high89.2Confident45 Ų4569.7 Ų69.721%0.2138%0.379CS..Hα-helixtrans-60.9-43176.6-58.283.9169.400110.6Q88 L93 G94 F121 M124 K128Q88-E90 PolarHBondContact O-N 2.91Å; E90-L93 PolarHBondContact O-N 3.14Å; E90-G94 PolarHBondContact O-N 3.41Å; E90-F121 HydrophobicContact CB-CD1 4.39Å; E90-F121 WeakPolarHBondContact O-CB 3.41Å; E90-M124 HydrophobicContact CB-CB 4.48Å; E90-M124 HydrophobicContact CG-CE 4.5Å; E90-K128 VanDerWaalsContact CD-NZ 3.28Å; E90-K128 IonicContact OE1-NZ 3.7Å; E90-K128 PolarHBondContact OE1-NZ 2.99Å; E90-K128 IonicContact OE2-NZ 2.7Å; E90-K128 PolarHBondContact OE2-NZ 3.04Å
91G97.8Very high90.6Very high10 Ų1066.7 Ų66.710%0.10336%0.361CS..Hα-helixtrans-67.7-42.2177.400000112.6Q88 P89 L93 G94 D95Q88-G91 WeakPolarHBondContact O-CA 3.39Å; Q88-G91 PolarHBondContact O-N 3.3Å; P89-G91 VanDerWaalsContact C-N 3.32Å; P89-G91 PolarHBondContact O-N 3.14Å; G91-L93 VanDerWaalsContact C-N 3.34Å; G91-L93 PolarHBondContact O-N 2.84Å; G91-G94 CarbonylContact O-C 3.57Å; G91-G94 WeakPolarHBondContact O-CA 3.33Å; G91-G94 PolarHBondContact O-N 2.94Å; G91-G94 VanDerWaalsContact O-N 3.13Å; G91-D95 PolarHBondContact O-N 2.83Å
92V97.1Very high92.4Very high77 Ų7766.2 Ų66.247%0.46734%0.343SS..Hα-helixtrans-62.1-42.1176.4176.30000111.3P87 Q88 P89 S96P87-V92 HydrophobicContact CB-CG2 4.24Å; Q88-V92 PolarHBondContact O-N 3.2Å; P89-V92 PolarHBondContact O-N 2.75Å; V92-S96 PolarHBondContact O-N 2.82Å; V92-S96 PolarHBondContact O-OG 3.11Å
93L98.4Very high94.3Very high80 Ų8064.2 Ų64.242%0.41934%0.34SS..Hα-helixtrans-64.1-43.2172.9-179.658.5000110.9P89 E90 G91 D95 S96 M97 F121P89-L93 WeakPolarHBondContact O-CB 3.47Å; P89-L93 PolarHBondContact O-N 3.16Å; E90-L93 PolarHBondContact O-N 3.14Å; G91-L93 VanDerWaalsContact C-N 3.34Å; G91-L93 PolarHBondContact O-N 2.84Å; L93-D95 PolarHBondContact O-N 3.49Å; L93-S96 WeakPolarHBondContact O-CB 3.37Å; L93-S96 PolarHBondContact O-N 3.27Å; L93-M97 HydrophobicContact CD1-CE 3.88Å; L93-M97 HydrophobicContact CD1-CG 4.45Å; L93-M97 HydrophobicContact CD2-CE 3.84Å; L93-M97 HydrophobicContact CG-CE 3.68Å; L93-M97 HydrophobicContact CG-SD 4.25Å; L93-M97 WeakPolarHBondContact O-CG 3.46Å; L93-M97 PolarHBondContact O-N 3.49Å; L93-F121 HydrophobicContact CD2-CD1 3.95Å; L93-F121 HydrophobicContact CD2-CE1 3.75Å; L93-F121 HydrophobicContact CG-CD1 4.37Å
94G98.7Very high95.7Very high0 Ų065.3 Ų65.30%034%0.335CS..Hα-helixtrans-59.5-42.1177.300000113.2E90 G91 S96 M97 F98 G118E90-G94 PolarHBondContact O-N 3.41Å; G91-G94 CarbonylContact O-C 3.57Å; G91-G94 WeakPolarHBondContact O-CA 3.33Å; G91-G94 PolarHBondContact O-N 2.94Å; G91-G94 VanDerWaalsContact O-N 3.13Å; G94-S96 VanDerWaalsContact C-N 3.34Å; G94-S96 PolarHBondContact O-N 2.93Å; G94-M97 PolarHBondContact O-N 3.1Å; G94-F98 WeakPolarHBondContact O-CB 3.19Å; G94-F98 PolarHBondContact O-N 3.12Å; G94-G118 VanDerWaalsContact O-CA 3.3Å; G94-G118 WeakPolarHBondContact O-CA 3.41Å
95D98.5Very high96.5Very high81 Ų8161.6 Ų61.643%0.43332%0.324SS..Hα-helixtrans-61.7-41.5174.7-78.2-33.2000112.2G91 L93 K99 K122G91-D95 PolarHBondContact O-N 2.83Å; L93-D95 PolarHBondContact O-N 3.49Å; D95-K99 VanDerWaalsContact O-CB 3.26Å; D95-K99 WeakPolarHBondContact O-CB 3.42Å; D95-K99 PolarHBondContact O-N 3.41Å; D95-K122 VanDerWaalsContact OD1-CE 3.23Å; D95-K122 WeakPolarHBondContact OD1-CE 3.28Å; D95-K122 IonicContact OD1-NZ 3.98Å; D95-K122 PolarHBondContact OD1-NZ 2.84Å
96S98.5Very high96.7Very high53 Ų5365.5 Ų65.537%0.37134%0.336SS..Hα-helixtrans-64.2-47.8176.5-63.70000111.4V92 L93 G94 F98 K99 Y100V92-S96 PolarHBondContact O-N 2.82Å; V92-S96 PolarHBondContact O-OG 3.11Å; L93-S96 WeakPolarHBondContact O-CB 3.37Å; L93-S96 PolarHBondContact O-N 3.27Å; G94-S96 VanDerWaalsContact C-N 3.34Å; G94-S96 PolarHBondContact O-N 2.93Å; S96-F98 PolarHBondContact O-N 3.33Å; S96-K99 PolarHBondContact O-N 2.89Å; S96-Y100 WeakPolarHBondContact O-CD2 3.42Å; S96-Y100 PolarHBondContact O-N 2.93Å
97M98.7Very high96.6Very high41 Ų4174.7 Ų74.720%0.20238%0.376CS..Hα-helixtrans-58.4-48.8176.7-69.8176172.400111.1L93 G94 K99 Y100 G101 L114 A117L93-M97 HydrophobicContact CD1-CE 3.88Å; L93-M97 HydrophobicContact CD1-CG 4.45Å; L93-M97 HydrophobicContact CD2-CE 3.84Å; L93-M97 HydrophobicContact CG-CE 3.68Å; L93-M97 HydrophobicContact CG-SD 4.25Å; L93-M97 WeakPolarHBondContact O-CG 3.46Å; L93-M97 PolarHBondContact O-N 3.49Å; G94-M97 PolarHBondContact O-N 3.1Å; M97-K99 PolarHBondContact O-N 3.33Å; M97-Y100 PolarHBondContact O-N 3.43Å; M97-G101 PolarHBondContact O-N 3.28Å; M97-L114 CarbonylContact C-O 3.52Å; M97-L114 HydrophobicContact CB-CD2 4.19Å; M97-L114 WeakPolarHBondContact CB-O 3.49Å; M97-L114 HydrophobicContact CG-CD2 4.07Å; M97-L114 WeakPolarHBondContact O-CB 3.08Å; M97-A117 HydrophobicContact SD-CB 3.84Å
98F98.1Very high96.5Very high56 Ų5673.7 Ų73.725%0.24637%0.371CS..Hα-helixtrans-60.5-47.4179.1-172.8-86.7000112.2G94 S96 G101 R102 I115 D119G94-F98 WeakPolarHBondContact O-CB 3.19Å; G94-F98 PolarHBondContact O-N 3.12Å; S96-F98 PolarHBondContact O-N 3.33Å; F98-G101 PolarHBondContact O-N 3.47Å; F98-R102 HydrophobicContact CD1-CG 4.24Å; F98-R102 HydrophobicContact CE1-CG 3.96Å; F98-R102 HydrophobicContact CZ-CG 4.44Å; F98-R102 WeakPolarHBondContact O-CG 3.37Å; F98-R102 PolarHBondContact O-N 2.73Å; F98-I115 HydrophobicContact CD2-CG2 4.04Å; F98-I115 HydrophobicContact CE2-CG2 3.96Å; F98-D119 VanDerWaalsContact CD2-OD1 3.27Å; F98-D119 WeakPolarHBondContact CD2-OD1 3.27Å; F98-D119 WeakPolarHBondContact CE2-OD1 3.4Å
99K98.3Very high96.4Very high122 Ų12277.5 Ų77.553%0.5339%0.385SS..Hα-helixtrans-57.1-53.4179.3177.8-175.8177.3-176.90111.5D95 S96 M97 R102 L103D95-K99 VanDerWaalsContact O-CB 3.26Å; D95-K99 WeakPolarHBondContact O-CB 3.42Å; D95-K99 PolarHBondContact O-N 3.41Å; S96-K99 PolarHBondContact O-N 2.89Å; M97-K99 PolarHBondContact O-N 3.33Å; K99-R102 PolarHBondContact O-N 2.94Å; K99-L103 HydrophobicContact CG-CD1 4.37Å; K99-L103 WeakPolarHBondContact O-CG 3.44Å; K99-L103 PolarHBondContact O-N 2.94Å; K99-L103 VanDerWaalsContact O-N 3.17Å
100Y98.5Very high96.4Very high128 Ų12878.9 Ų78.950%0.50239%0.388SS..Hα-helixtrans-73.7-29.4-177.4-67.9-64.1000112.6S96 M97 R102 L103 L104S96-Y100 WeakPolarHBondContact O-CD2 3.42Å; S96-Y100 PolarHBondContact O-N 2.93Å; M97-Y100 PolarHBondContact O-N 3.43Å; Y100-R102 VanDerWaalsContact C-N 3.34Å; Y100-R102 PolarHBondContact O-N 2.8Å; Y100-L103 HydrophobicContact CD1-CD1 3.86Å; Y100-L103 HydrophobicContact CE1-CD1 4.2Å; Y100-L103 PolarHBondContact O-N 3Å; Y100-L104 WeakPolarHBondContact O-CG 3.09Å; Y100-L104 PolarHBondContact O-N 3.42Å
101G98.4Very high96.4Very high0 Ų076.7 Ų76.70%038%0.378CS..Hα-helixtrans-59.1-44.3171.400000112.3M97 F98 L104 G105 G111M97-G101 PolarHBondContact O-N 3.28Å; F98-G101 PolarHBondContact O-N 3.47Å; G101-L104 PolarHBondContact O-N 2.91Å; G101-G105 PolarHBondContact O-N 2.77Å; G101-G111 WeakPolarHBondContact CA-O 3.36Å; G101-G111 WeakPolarHBondContact O-CA 3.35Å
102R98.1Very high96.3Very high136 Ų13678.1 Ų78.151%0.51339%0.386SS..Hα-helixtrans-63.4-42.3173.5-70.5-71.5-176.8179.7-0.7112.8F98 K99 Y100 L104 G105 I115F98-R102 HydrophobicContact CD1-CG 4.24Å; F98-R102 HydrophobicContact CE1-CG 3.96Å; F98-R102 HydrophobicContact CZ-CG 4.44Å; F98-R102 WeakPolarHBondContact O-CG 3.37Å; F98-R102 PolarHBondContact O-N 2.73Å; K99-R102 PolarHBondContact O-N 2.94Å; Y100-R102 VanDerWaalsContact C-N 3.34Å; Y100-R102 PolarHBondContact O-N 2.8Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 3.38Å; R102-G105 PolarHBondContact O-N 3.39Å; R102-G105 VanDerWaalsContact O-N 3.09Å; R102-I115 HydrophobicContact CG-CD1 4.18Å; R102-I115 HydrophobicContact CG-CG1 4.42Å
103L98.3Very high96.4Very high126 Ų12675.4 Ų75.466%0.6637%0.371SS*.Hα-helixtrans-65.8-32.9179.9-71.1172.8000113.1K99 Y100 G105K99-L103 HydrophobicContact CG-CD1 4.37Å; K99-L103 WeakPolarHBondContact O-CG 3.44Å; K99-L103 PolarHBondContact O-N 2.94Å; K99-L103 VanDerWaalsContact O-N 3.17Å; Y100-L103 HydrophobicContact CD1-CD1 3.86Å; Y100-L103 HydrophobicContact CE1-CD1 4.2Å; Y100-L103 PolarHBondContact O-N 3Å; L103-G105 PolarHBondContact O-N 3.31Å
104L97.3Very high96.4Very high90 Ų9073.5 Ų73.547%0.47136%0.361SS..Hα-helixtrans-69.2-20.7173.5-74.2171.5000113.1Y100 G101 R102 L110 L114Y100-L104 WeakPolarHBondContact O-CG 3.09Å; Y100-L104 PolarHBondContact O-N 3.42Å; G101-L104 PolarHBondContact O-N 2.91Å; R102-L104 VanDerWaalsContact C-N 3.33Å; R102-L104 PolarHBondContact O-N 3.38Å; L104-L110 HydrophobicContact CD1-CB 4.39Å; L104-L110 HydrophobicContact CD1-CD2 3.97Å; L104-L110 HydrophobicContact CD1-CG 3.94Å; L104-L114 HydrophobicContact CD1-CD1 3.88Å
105G90.6Very high96.4Very high28 Ų2874.6 Ų74.629%0.28937%0.367SS..  trans79.7159.1178.500000114.2G101 R102 L103 K107 S108G101-G105 PolarHBondContact O-N 2.77Å; R102-G105 PolarHBondContact O-N 3.39Å; R102-G105 VanDerWaalsContact O-N 3.09Å; L103-G105 PolarHBondContact O-N 3.31Å; G105-K107 PolarHBondContact O-N 3Å; G105-S108 WeakPolarHBondContact O-CB 3.35Å; G105-S108 PolarHBondContact O-N 2.88Å
106E90.5Very high96.4Very high157 Ų15772.8 Ų72.873%0.73436%0.357SS*.THydrogen-bonded Turntrans-65.6-14.6-171.1-60.8175.6175.400114.3S108 C112E106-S108 VanDerWaalsContact C-N 3.32Å; E106-C112 PolarHBondContact O-SG 3.41Å; E106-C112 VanDerWaalsContact O-SG 3.42Å
107K89.1Confident96.4Very high207 Ų20770.8 Ų70.890%0.934%0.344SS*.THydrogen-bonded Turntrans-82.2-13.3176.1-62.2-175.1-179.1179.80112.8G105G105-K107 PolarHBondContact O-N 3Å
108S93.1Very high96.4Very high32 Ų3268.8 Ų68.822%0.22433%0.334CS..  trans-89.1117178.4-178.10000109.7G105 E106 L110 G111 C112G105-S108 WeakPolarHBondContact O-CB 3.35Å; G105-S108 PolarHBondContact O-N 2.88Å; E106-S108 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 2.94Å; S108-L110 PolarHBondContact OG-N 3.27Å; S108-G111 WeakPolarHBondContact O-CA 3.48Å; S108-G111 PolarHBondContact O-N 3.27Å; S108-G111 PolarHBondContact OG-N 3.33Å; S108-G111 VanDerWaalsContact OG-N 3.15Å; S108-C112 PolarHBondContact O-N 3.08Å
109Y93.2Very high96.4Very high81 Ų8169.4 Ų69.432%0.31834%0.34SS..Hα-helixtrans-56.6-37.1171.1-74.3-80.8000112.1G111 C112 A113 E249 A250Y109-G111 VanDerWaalsContact C-N 3.32Å; Y109-C112 PolarHBondContact O-N 3.23Å; Y109-A113 VanDerWaalsContact O-CB 3.25Å; Y109-A113 WeakPolarHBondContact O-CB 3.38Å; Y109-A113 PolarHBondContact O-N 2.96Å; Y109-E249 HydrophobicContact CE1-CB 3.94Å; Y109-A250 HydrophobicContact CD1-CB 3.91Å; Y109-A250 HydrophobicContact CD2-CB 3.91Å; Y109-A250 HydrophobicContact CE1-CB 4.33Å; Y109-A250 HydrophobicContact CE2-CB 4.33Å; Y109-A250 HydrophobicContact CG-CB 3.68Å
110L96.1Very high96.4Very high106 Ų10664 Ų6456%0.55532%0.318SS*.Hα-helixtrans-64.8-39.2172.717862.8000111.2L104 S108 A113 L114L104-L110 HydrophobicContact CD1-CB 4.39Å; L104-L110 HydrophobicContact CD1-CD2 3.97Å; L104-L110 HydrophobicContact CD1-CG 3.94Å; S108-L110 PolarHBondContact O-N 2.94Å; S108-L110 PolarHBondContact OG-N 3.27Å; L110-A113 PolarHBondContact O-N 3.37Å; L110-L114 HydrophobicContact CD1-CD1 4.15Å; L110-L114 HydrophobicContact CD1-CG 4.09Å; L110-L114 HydrophobicContact CG-CD1 3.98Å; L110-L114 HydrophobicContact CG-CG 4.36Å; L110-L114 WeakPolarHBondContact O-CB 3.24Å; L110-L114 VanDerWaalsContact O-CG 3.23Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 3.36Å
111G97.4Very high96.4Very high0 Ų060 Ų600%030%0.304CS..Hα-helixtrans-59.4-50.5175.700000111.9G101 S108 Y109 L114 I115G101-G111 WeakPolarHBondContact CA-O 3.36Å; G101-G111 WeakPolarHBondContact O-CA 3.35Å; S108-G111 WeakPolarHBondContact O-CA 3.48Å; S108-G111 PolarHBondContact O-N 3.27Å; S108-G111 PolarHBondContact OG-N 3.33Å; S108-G111 VanDerWaalsContact OG-N 3.15Å; Y109-G111 VanDerWaalsContact C-N 3.32Å; G111-L114 PolarHBondContact O-N 3.49Å; G111-I115 WeakPolarHBondContact O-CG1 3.5Å; G111-I115 PolarHBondContact O-N 3.12Å
112C96.3Very high96.4Very high39 Ų3963.5 Ų63.526%0.26432%0.319SS..Hα-helixtrans-62.2-45176.2-61.10000112.3E106 S108 Y109 L114 I115 D116E106-C112 PolarHBondContact O-SG 3.41Å; E106-C112 VanDerWaalsContact O-SG 3.42Å; S108-C112 PolarHBondContact O-N 3.08Å; Y109-C112 PolarHBondContact O-N 3.23Å; C112-L114 VanDerWaalsContact C-N 3.32Å; C112-L114 PolarHBondContact O-N 3.33Å; C112-I115 PolarHBondContact O-N 3.18Å; C112-I115 VanDerWaalsContact O-N 3.15Å; C112-D116 PolarHBondContact O-N 3.44Å
113A97.9Very high96.4Very high20 Ų2061 Ų6117%0.16531%0.314CS..Hα-helixtrans-59.1-41.4176.800000112.6Y109 L110 D116 A117 L243Y109-A113 VanDerWaalsContact O-CB 3.25Å; Y109-A113 WeakPolarHBondContact O-CB 3.38Å; Y109-A113 PolarHBondContact O-N 2.96Å; L110-A113 PolarHBondContact O-N 3.37Å; A113-D116 PolarHBondContact O-N 3.41Å; A113-A117 VanDerWaalsContact O-CB 3.27Å; A113-A117 WeakPolarHBondContact O-CB 3.43Å; A113-A117 PolarHBondContact O-N 3.11Å; A113-L243 HydrophobicContact CB-CD2 3.68Å
114L98.5Very high96.4Very high41 Ų4155.9 Ų55.922%0.21529%0.288CS..Hα-helixtrans-67.9-35.3176.5-76.7171.8000112.2M97 L104 L110 G111 C112 G118M97-L114 CarbonylContact C-O 3.52Å; M97-L114 HydrophobicContact CB-CD2 4.19Å; M97-L114 WeakPolarHBondContact CB-O 3.49Å; M97-L114 HydrophobicContact CG-CD2 4.07Å; M97-L114 WeakPolarHBondContact O-CB 3.08Å; L104-L114 HydrophobicContact CD1-CD1 3.88Å; L110-L114 HydrophobicContact CD1-CD1 4.15Å; L110-L114 HydrophobicContact CD1-CG 4.09Å; L110-L114 HydrophobicContact CG-CD1 3.98Å; L110-L114 HydrophobicContact CG-CG 4.36Å; L110-L114 WeakPolarHBondContact O-CB 3.24Å; L110-L114 VanDerWaalsContact O-CG 3.23Å; L110-L114 WeakPolarHBondContact O-CG 3.33Å; L110-L114 PolarHBondContact O-N 3.36Å; G111-L114 PolarHBondContact O-N 3.49Å; C112-L114 VanDerWaalsContact C-N 3.32Å; C112-L114 PolarHBondContact O-N 3.33Å; L114-G118 WeakPolarHBondContact O-CA 3.41Å; L114-G118 PolarHBondContact O-N 3.44Å
115I98.3Very high96.5Very high23 Ų2351.9 Ų51.912%0.11827%0.267CS..Hα-helixtrans-64.8-50.2173.6-68.5167.1000109.9F98 R102 G111 C112 A117 G118 D119F98-I115 HydrophobicContact CD2-CG2 4.04Å; F98-I115 HydrophobicContact CE2-CG2 3.96Å; R102-I115 HydrophobicContact CG-CD1 4.18Å; R102-I115 HydrophobicContact CG-CG1 4.42Å; G111-I115 WeakPolarHBondContact O-CG1 3.5Å; G111-I115 PolarHBondContact O-N 3.12Å; C112-I115 PolarHBondContact O-N 3.18Å; C112-I115 VanDerWaalsContact O-N 3.15Å; I115-A117 PolarHBondContact O-N 2.91Å; I115-G118 PolarHBondContact O-N 2.96Å; I115-D119 PolarHBondContact O-N 3.26Å
116D98.1Very high96.8Very high42 Ų4255.5 Ų55.523%0.22528%0.28CS..Hα-helixtrans-60.4-43.4178.8-79.4-50.2000112.4C112 A113 A120 L239 K242 Q246C112-D116 PolarHBondContact O-N 3.44Å; A113-D116 PolarHBondContact O-N 3.41Å; D116-A120 WeakPolarHBondContact O-CB 3.35Å; D116-A120 PolarHBondContact O-N 3.31Å; D116-A120 VanDerWaalsContact O-N 3.07Å; D116-L239 HydrophobicContact CB-CD1 4.18Å; D116-K242 IonicContact OD1-NZ 4Å; D116-Q246 PolarHBondContact OD2-NE2 3.35Å
117A98.6Very high97.2Very high11 Ų1148.8 Ų48.89%0.09125%0.249CC..Hα-helixtrans-65.7-41.7175.700000111.5M97 A113 I115 A120 F121 L239M97-A117 HydrophobicContact SD-CB 3.84Å; A113-A117 VanDerWaalsContact O-CB 3.27Å; A113-A117 WeakPolarHBondContact O-CB 3.43Å; A113-A117 PolarHBondContact O-N 3.11Å; I115-A117 PolarHBondContact O-N 2.91Å; A117-A120 PolarHBondContact O-N 3.03Å; A117-F121 WeakPolarHBondContact O-CB 3.33Å; A117-F121 WeakPolarHBondContact O-CD2 3.41Å; A117-F121 PolarHBondContact O-N 3.2Å; A117-L239 HydrophobicContact CB-CD1 4.26Å; A117-L239 HydrophobicContact CB-CD2 4.17Å
118G98.6Very high97.7Very high0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-58.7-49176.800000112.3G94 L114 I115 A120 F121 K122G94-G118 VanDerWaalsContact O-CA 3.3Å; G94-G118 WeakPolarHBondContact O-CA 3.41Å; L114-G118 WeakPolarHBondContact O-CA 3.41Å; L114-G118 PolarHBondContact O-N 3.44Å; I115-G118 PolarHBondContact O-N 2.96Å; G118-A120 PolarHBondContact O-N 3.17Å; G118-F121 PolarHBondContact O-N 3.23Å; G118-K122 VanDerWaalsContact O-CG 3.27Å; G118-K122 WeakPolarHBondContact O-CG 3.45Å; G118-K122 PolarHBondContact O-N 2.9Å
119D98.5Very high97.8Very high68 Ų6841.9 Ų41.936%0.36421%0.214SC..Hα-helixtrans-62.4-43.1177.5-73.1-21.9000111.7F98 I115 F121 K122 I123F98-D119 VanDerWaalsContact CD2-OD1 3.27Å; F98-D119 WeakPolarHBondContact CD2-OD1 3.27Å; F98-D119 WeakPolarHBondContact CE2-OD1 3.4Å; I115-D119 PolarHBondContact O-N 3.26Å; D119-F121 PolarHBondContact O-N 3.36Å; D119-K122 PolarHBondContact O-N 3.41Å; D119-I123 WeakPolarHBondContact O-CG1 3.33Å; D119-I123 PolarHBondContact O-N 2.92Å
120A98.8Very high98.1Very high10 Ų1040.6 Ų40.68%0.08322%0.22CC..Hα-helixtrans-61.2-43.8176.500000112.5D116 A117 G118 K122 I123 M124 V235 L239D116-A120 WeakPolarHBondContact O-CB 3.35Å; D116-A120 PolarHBondContact O-N 3.31Å; D116-A120 VanDerWaalsContact O-N 3.07Å; A117-A120 PolarHBondContact O-N 3.03Å; G118-A120 PolarHBondContact O-N 3.17Å; A120-K122 VanDerWaalsContact C-N 3.34Å; A120-K122 PolarHBondContact O-N 2.89Å; A120-I123 WeakPolarHBondContact O-CB 2.97Å; A120-I123 PolarHBondContact O-N 2.94Å; A120-M124 WeakPolarHBondContact O-CG 3.32Å; A120-M124 PolarHBondContact O-N 3.27Å; A120-V235 HydrophobicContact CB-CG1 3.87Å; A120-V235 WeakPolarHBondContact O-CG1 3.35Å; A120-L239 HydrophobicContact CB-CB 4.19Å; A120-L239 HydrophobicContact CB-CD1 4.25Å; A120-L239 HydrophobicContact CB-CD2 3.87Å; A120-L239 HydrophobicContact CB-CG 4.32Å
121F98.7Very high98.2Very high44 Ų4436.2 Ų36.219%0.19320%0.197CC..Hα-helixtrans-69.9-30.9179.3-87.9-115.3000112.6E90 L93 A117 G118 D119 M124 A125 L236 L239E90-F121 HydrophobicContact CB-CD1 4.39Å; E90-F121 WeakPolarHBondContact O-CB 3.41Å; L93-F121 HydrophobicContact CD2-CD1 3.95Å; L93-F121 HydrophobicContact CD2-CE1 3.75Å; L93-F121 HydrophobicContact CG-CD1 4.37Å; A117-F121 WeakPolarHBondContact O-CB 3.33Å; A117-F121 WeakPolarHBondContact O-CD2 3.41Å; A117-F121 PolarHBondContact O-N 3.2Å; G118-F121 PolarHBondContact O-N 3.23Å; D119-F121 PolarHBondContact O-N 3.36Å; F121-M124 HydrophobicContact CD2-SD 4.48Å; F121-M124 WeakPolarHBondContact O-CB 3.4Å; F121-M124 PolarHBondContact O-N 2.99Å; F121-A125 PolarHBondContact O-N 3.31Å; F121-L236 HydrophobicContact CE2-CD2 4.13Å; F121-L239 HydrophobicContact CD2-CD2 4.42Å; F121-L239 HydrophobicContact CE2-CD2 4.14Å
122K98.5Very high98.2Very high72 Ų7236.5 Ų36.531%0.31320%0.198SC..Hα-helixtrans-67.1-40.5170.8-69.9173.474.1153.10111.6D95 G118 D119 A120 M124 A125 D126D95-K122 VanDerWaalsContact OD1-CE 3.23Å; D95-K122 WeakPolarHBondContact OD1-CE 3.28Å; D95-K122 IonicContact OD1-NZ 3.98Å; D95-K122 PolarHBondContact OD1-NZ 2.84Å; G118-K122 VanDerWaalsContact O-CG 3.27Å; G118-K122 WeakPolarHBondContact O-CG 3.45Å; G118-K122 PolarHBondContact O-N 2.9Å; D119-K122 PolarHBondContact O-N 3.41Å; A120-K122 VanDerWaalsContact C-N 3.34Å; A120-K122 PolarHBondContact O-N 2.89Å; K122-M124 VanDerWaalsContact C-N 3.31Å; K122-M124 PolarHBondContact O-N 2.82Å; K122-A125 WeakPolarHBondContact O-CB 3.19Å; K122-A125 PolarHBondContact O-N 2.91Å; K122-A125 VanDerWaalsContact O-N 3.13Å; K122-D126 PolarHBondContact O-N 2.85Å; K122-D126 VanDerWaalsContact O-N 3.07Å
123I98.6Very high98.2Very high83 Ų8338.1 Ų38.143%0.42620%0.204SC..Hα-helixtrans-61.1-41.1172-65.4163.9000110.8D119 A120 A125 D126 I127 V235D119-I123 WeakPolarHBondContact O-CG1 3.33Å; D119-I123 PolarHBondContact O-N 2.92Å; A120-I123 WeakPolarHBondContact O-CB 2.97Å; A120-I123 PolarHBondContact O-N 2.94Å; I123-A125 VanDerWaalsContact C-N 3.29Å; I123-A125 PolarHBondContact O-N 3.21Å; I123-D126 WeakPolarHBondContact O-CB 3.45Å; I123-D126 PolarHBondContact O-N 2.82Å; I123-D126 VanDerWaalsContact O-N 3.15Å; I123-I127 HydrophobicContact CG2-CD1 3.97Å; I123-I127 HydrophobicContact CG2-CG1 4.48Å; I123-I127 WeakPolarHBondContact O-CG1 3.26Å; I123-I127 PolarHBondContact O-N 3.36Å; I123-V235 HydrophobicContact CG2-CG2 3.83Å
124M98.7Very high98.2Very high20 Ų2040.8 Ų40.810%0.09921%0.213CC..Hα-helixtrans-61.4-36.4174.8-68.4175.459.300112.7E90 A120 F121 K122 I127 K128 T232 V235 L236E90-M124 HydrophobicContact CB-CB 4.48Å; E90-M124 HydrophobicContact CG-CE 4.5Å; A120-M124 WeakPolarHBondContact O-CG 3.32Å; A120-M124 PolarHBondContact O-N 3.27Å; F121-M124 HydrophobicContact CD2-SD 4.48Å; F121-M124 WeakPolarHBondContact O-CB 3.4Å; F121-M124 PolarHBondContact O-N 2.99Å; K122-M124 VanDerWaalsContact C-N 3.31Å; K122-M124 PolarHBondContact O-N 2.82Å; M124-I127 PolarHBondContact O-N 2.8Å; M124-K128 WeakPolarHBondContact O-CB 3.4Å; M124-K128 PolarHBondContact O-N 2.91Å; M124-T232 HydrophobicContact CB-CG2 4.38Å; M124-T232 HydrophobicContact CE-CG2 4.21Å; M124-T232 HydrophobicContact CG-CG2 4.19Å; M124-V235 HydrophobicContact CG-CB 4.29Å; M124-V235 HydrophobicContact CG-CG1 3.91Å; M124-L236 HydrophobicContact CE-CD1 4.1Å; M124-L236 HydrophobicContact CE-CD2 4.48Å; M124-L236 HydrophobicContact CE-CG 4.35Å; M124-L236 HydrophobicContact SD-CD1 4.23Å; M124-L236 HydrophobicContact SD-CD2 3.68Å; M124-L236 HydrophobicContact SD-CG 3.82Å
125A98.2Very high98.2Very high5 Ų538.9 Ų38.94%0.04120%0.203CC..Hα-helixtrans-63.5-41.317300000112Q88 F121 K122 I123 K128 Y129Q88-A125 HydrophobicContact CB-CB 3.78Å; Q88-A125 HydrophobicContact CG-CB 4.24Å; F121-A125 PolarHBondContact O-N 3.31Å; K122-A125 WeakPolarHBondContact O-CB 3.19Å; K122-A125 PolarHBondContact O-N 2.91Å; K122-A125 VanDerWaalsContact O-N 3.13Å; I123-A125 VanDerWaalsContact C-N 3.29Å; I123-A125 PolarHBondContact O-N 3.21Å; A125-K128 WeakPolarHBondContact O-CB 3.44Å; A125-K128 PolarHBondContact O-N 3.47Å; A125-K128 VanDerWaalsContact O-N 3.15Å; A125-Y129 WeakPolarHBondContact O-CD2 3.37Å; A125-Y129 PolarHBondContact O-N 3.27Å
126D98.1Very high98.1Very high105 Ų10541.3 Ų41.356%0.56121%0.211SC*.Hα-helixtrans-62.3-43.1175.2-65.8-27.1000111.9K122 I123 K128 Y129 A130K122-D126 PolarHBondContact O-N 2.85Å; K122-D126 VanDerWaalsContact O-N 3.07Å; I123-D126 WeakPolarHBondContact O-CB 3.45Å; I123-D126 PolarHBondContact O-N 2.82Å; I123-D126 VanDerWaalsContact O-N 3.15Å; D126-K128 VanDerWaalsContact C-N 3.26Å; D126-K128 PolarHBondContact O-N 2.96Å; D126-Y129 PolarHBondContact O-N 2.97Å; D126-A130 PolarHBondContact O-N 3.3Å
127I98.5Very high98.1Very high15 Ų1545 Ų458%0.07723%0.227CC..Hα-helixtrans-61.1-37.5173.9-64.1162.2000110.6I123 M124 A130 L131 F228 Q231 T232 V235I123-I127 HydrophobicContact CG2-CD1 3.97Å; I123-I127 HydrophobicContact CG2-CG1 4.48Å; I123-I127 WeakPolarHBondContact O-CG1 3.26Å; I123-I127 PolarHBondContact O-N 3.36Å; M124-I127 PolarHBondContact O-N 2.8Å; I127-A130 WeakPolarHBondContact O-CB 3.11Å; I127-A130 PolarHBondContact O-N 2.95Å; I127-L131 PolarHBondContact O-N 3.38Å; I127-F228 HydrophobicContact CG2-CD2 3.81Å; I127-F228 HydrophobicContact CG2-CE2 4.35Å; I127-Q231 HydrophobicContact CD1-CB 3.9Å; I127-Q231 HydrophobicContact CG1-CB 4.35Å; I127-Q231 HydrophobicContact CG2-CB 3.85Å; I127-T232 HydrophobicContact CD1-CG2 4.47Å; I127-T232 HydrophobicContact CG2-CG2 4.12Å; I127-V235 HydrophobicContact CD1-CG2 3.79Å
128K98Very high98Very high36 Ų3647.4 Ų47.416%0.15724%0.238CC..Hα-helixtrans-68.7-37.6176.9-166.2163175.5-177.20112.8Q88 E90 M124 A125 D126 A130 L131 E132 F228Q88-K128 HydrophobicContact CB-CD 4.48Å; Q88-K128 HydrophobicContact CG-CB 4.28Å; Q88-K128 HydrophobicContact CG-CD 4.29Å; Q88-K128 HydrophobicContact CG-CG 4.36Å; E90-K128 VanDerWaalsContact CD-NZ 3.28Å; E90-K128 IonicContact OE1-NZ 3.7Å; E90-K128 PolarHBondContact OE1-NZ 2.99Å; E90-K128 IonicContact OE2-NZ 2.7Å; E90-K128 PolarHBondContact OE2-NZ 3.04Å; M124-K128 WeakPolarHBondContact O-CB 3.4Å; M124-K128 PolarHBondContact O-N 2.91Å; A125-K128 WeakPolarHBondContact O-CB 3.44Å; A125-K128 PolarHBondContact O-N 3.47Å; A125-K128 VanDerWaalsContact O-N 3.15Å; D126-K128 VanDerWaalsContact C-N 3.26Å; D126-K128 PolarHBondContact O-N 2.96Å; K128-A130 VanDerWaalsContact C-N 3.32Å; K128-L131 WeakPolarHBondContact O-CB 3.37Å; K128-L131 PolarHBondContact O-N 2.86Å; K128-E132 WeakPolarHBondContact O-CG 3.38Å; K128-E132 PolarHBondContact O-N 2.88Å; K128-F228 HydrophobicContact CB-CE2 3.87Å; K128-F228 HydrophobicContact CD-CE2 4.47Å; K128-F228 HydrophobicContact CG-CE2 4.13Å
129Y97.3Very high98Very high59 Ų5947.6 Ų47.623%0.23124%0.239CC..Hα-helixtrans-62-41.7170.8-69.6-58.2000111.8P85 Y86 Q88 A125 D126 L131 E132 D133P85-Y129 HydrophobicContact CB-CD1 4.41Å; P85-Y129 HydrophobicContact CB-CE1 3.7Å; P85-Y129 HydrophobicContact CG-CE1 4.49Å; Y86-Y129 WeakPolarHBondContact O-CE1 3.35Å; Y86-Y129 PolarHBondContact O-OH 3.2Å; Q88-Y129 HydrophobicContact CG-CD1 4.14Å; Q88-Y129 HydrophobicContact CG-CD2 4.31Å; Q88-Y129 HydrophobicContact CG-CE1 3.69Å; Q88-Y129 HydrophobicContact CG-CE2 3.88Å; Q88-Y129 HydrophobicContact CG-CG 4.43Å; A125-Y129 WeakPolarHBondContact O-CD2 3.37Å; A125-Y129 PolarHBondContact O-N 3.27Å; D126-Y129 PolarHBondContact O-N 2.97Å; Y129-L131 VanDerWaalsContact C-N 3.34Å; Y129-L131 PolarHBondContact O-N 3.45Å; Y129-E132 PolarHBondContact O-N 2.98Å; Y129-D133 PolarHBondContact O-N 3.32Å
130A97.7Very high98Very high53 Ų5344.8 Ų44.844%0.43822%0.224SC..Hα-helixtrans-62.3-40.5175.200000112.3D126 I127 K128 D133 H134D126-A130 PolarHBondContact O-N 3.3Å; I127-A130 WeakPolarHBondContact O-CB 3.11Å; I127-A130 PolarHBondContact O-N 2.95Å; K128-A130 VanDerWaalsContact C-N 3.32Å; A130-D133 PolarHBondContact O-N 3.47Å; A130-H134 WeakPolarHBondContact O-CB 3.1Å; A130-H134 PolarHBondContact O-N 3.4Å
131L98.3Very high98Very high14 Ų1448.6 Ų48.67%0.07324%0.243CC..Hα-helixtrans-57.1-51171.7170.469.1000111.3L58 I127 K128 Y129 D133 H134 V135 A224 F228L58-L131 HydrophobicContact CD2-CD2 4.33Å; L58-L131 HydrophobicContact CD2-CG 4.45Å; I127-L131 PolarHBondContact O-N 3.38Å; K128-L131 WeakPolarHBondContact O-CB 3.37Å; K128-L131 PolarHBondContact O-N 2.86Å; Y129-L131 VanDerWaalsContact C-N 3.34Å; Y129-L131 PolarHBondContact O-N 3.45Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 2.95Å; L131-H134 PolarHBondContact O-N 3.22Å; L131-V135 HydrophobicContact CD1-CG2 3.83Å; L131-V135 HydrophobicContact CG-CG2 4.34Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.34Å; L131-A224 HydrophobicContact CD1-CB 3.73Å; L131-A224 WeakPolarHBondContact CD1-O 3.32Å; L131-F228 HydrophobicContact CB-CB 4.17Å; L131-F228 HydrophobicContact CB-CD2 4.02Å; L131-F228 HydrophobicContact CB-CG 4.33Å; L131-F228 HydrophobicContact CD1-CB 3.94Å; L131-F228 HydrophobicContact CD2-CB 3.99Å; L131-F228 HydrophobicContact CD2-CD1 4.09Å; L131-F228 HydrophobicContact CD2-CD2 3.83Å; L131-F228 HydrophobicContact CD2-CE2 4.4Å; L131-F228 HydrophobicContact CD2-CG 3.69Å; L131-F228 HydrophobicContact CG-CB 4.24Å; L131-F228 HydrophobicContact CG-CD2 4.47Å; L131-F228 HydrophobicContact CG-CG 4.4Å
132E97.2Very high97.9Very high6 Ų648 Ų483%0.02824%0.244CC..Hα-helixtrans-60.4-40-179.1-72.8-173.5-168.300112.4L58 Q59 Q88 K128 Y129 R136L58-E132 HydrophobicContact CB-CG 4.23Å; L58-E132 HydrophobicContact CD1-CG 4.47Å; L58-E132 HydrophobicContact CD2-CG 4.29Å; Q59-E132 PolarHBondContact NE2-OE2 3.33Å; Q88-E132 PolarHBondContact NE2-OE1 3.18Å; K128-E132 WeakPolarHBondContact O-CG 3.38Å; K128-E132 PolarHBondContact O-N 2.88Å; Y129-E132 PolarHBondContact O-N 2.98Å; E132-R136 VanDerWaalsContact O-CB 3.24Å; E132-R136 WeakPolarHBondContact O-CB 3.32Å; E132-R136 PolarHBondContact O-N 3.27Å; E132-R136 IonicContact OE2-NH2 3.81Å
133D96.4Very high97.9Very high74 Ų7445 Ų4540%0.39623%0.231SC..Hα-helixtrans-66.1-44.5177.2-73.7-11.2000111.4Y129 A130 L131 R136 Q137Y129-D133 PolarHBondContact O-N 3.32Å; A130-D133 PolarHBondContact O-N 3.47Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 2.95Å; D133-R136 PolarHBondContact O-N 3.12Å; D133-R136 IonicContact OD1-CZ 3.52Å; D133-R136 IonicContact OD1-NH1 2.74Å; D133-R136 PolarHBondContact OD1-NH1 3.08Å; D133-R136 IonicContact OD1-NH2 2.67Å; D133-Q137 WeakPolarHBondContact O-CB 3.38Å; D133-Q137 WeakPolarHBondContact O-CG 3.25Å; D133-Q137 PolarHBondContact O-N 3.11Å
134H97.8Very high97.8Very high76 Ų7642.5 Ų42.535%0.35223%0.225SC..Hα-helixtrans-63-47.6176.8-170.5-76.9000112A130 L131 R136 Q137 N138 A224A130-H134 WeakPolarHBondContact O-CB 3.1Å; A130-H134 PolarHBondContact O-N 3.4Å; L131-H134 PolarHBondContact O-N 3.22Å; H134-R136 VanDerWaalsContact C-N 3.29Å; H134-R136 PolarHBondContact O-N 3.03Å; H134-Q137 PolarHBondContact O-N 3.12Å; H134-N138 PolarHBondContact CD2-ND2 3.25Å; H134-N138 VanDerWaalsContact CD2-ND2 3.33Å; H134-N138 PolarHBondContact CE1-ND2 2.81Å; H134-N138 PolarHBondContact ND1-ND2 3.28Å; H134-N138 PolarHBondContact NE2-ND2 3.09Å; H134-N138 WeakPolarHBondContact O-CB 3.48Å; H134-N138 PolarHBondContact O-N 3.01Å; H134-N138 PolarHBondContact O-ND2 2.84Å; H134-A224 HydrophobicContact CB-CB 4.44Å; H134-A224 VanDerWaalsContact ND1-CB 3.33Å; H134-A224 WeakPolarHBondContact ND1-CB 3.36Å
135V98.7Very high97.7Very high1 Ų147.1 Ų47.11%0.00625%0.246CC..Hα-helixtrans-63.7-36.9177.6173.30000111T54 L58 L131 F139 L140 F221 A224T54-V135 HydrophobicContact CG2-CG1 3.8Å; L58-V135 HydrophobicContact CD1-CB 4.02Å; L58-V135 HydrophobicContact CD1-CG1 3.72Å; L131-V135 HydrophobicContact CD1-CG2 3.83Å; L131-V135 HydrophobicContact CG-CG2 4.34Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.34Å; V135-F139 HydrophobicContact CG1-CB 4.39Å; V135-F139 HydrophobicContact CG1-CD1 4.18Å; V135-F139 WeakPolarHBondContact O-CA 3.42Å; V135-F139 VanDerWaalsContact O-CB 3.29Å; V135-F139 WeakPolarHBondContact O-CB 3.48Å; V135-F139 PolarHBondContact O-N 2.99Å; V135-F139 VanDerWaalsContact O-N 3.11Å; V135-L140 HydrophobicContact CG1-CG 4.36Å; V135-L140 PolarHBondContact O-N 3.03Å; V135-F221 HydrophobicContact CB-CD2 4.31Å; V135-F221 HydrophobicContact CG1-CD2 3.59Å; V135-F221 HydrophobicContact CG1-CE2 3.87Å; V135-F221 HydrophobicContact CG2-CD2 3.73Å; V135-F221 HydrophobicContact CG2-CE2 4.03Å; V135-A224 HydrophobicContact CG2-CB 3.81Å
136R97Very high97.7Very high73 Ų7347.3 Ų47.328%0.27525%0.247SC..Iπ-helixtrans-63.4-53176.7-170.6179.2-48.7101.97.3111.6E132 D133 H134 L140 D141E132-R136 VanDerWaalsContact O-CB 3.24Å; E132-R136 WeakPolarHBondContact O-CB 3.32Å; E132-R136 PolarHBondContact O-N 3.27Å; E132-R136 IonicContact OE2-NH2 3.81Å; D133-R136 PolarHBondContact O-N 3.12Å; D133-R136 IonicContact OD1-CZ 3.52Å; D133-R136 IonicContact OD1-NH1 2.74Å; D133-R136 PolarHBondContact OD1-NH1 3.08Å; D133-R136 IonicContact OD1-NH2 2.67Å; H134-R136 VanDerWaalsContact C-N 3.29Å; H134-R136 PolarHBondContact O-N 3.03Å; R136-L140 PolarHBondContact O-N 2.96Å; R136-D141 WeakPolarHBondContact O-CB 3.29Å; R136-D141 PolarHBondContact O-N 3.34Å
137Q97.3Very high97.6Very high119 Ų11944.2 Ų44.256%0.55623%0.23SC*.Iπ-helixtrans-70.3-39.6-173.7-69173.116.800112.9D133 H134 P142D133-Q137 WeakPolarHBondContact O-CB 3.38Å; D133-Q137 WeakPolarHBondContact O-CG 3.25Å; D133-Q137 PolarHBondContact O-N 3.11Å; H134-Q137 PolarHBondContact O-N 3.12Å; Q137-P142 VanDerWaalsContact O-CD 3.25Å; Q137-P142 WeakPolarHBondContact O-CD 3.48Å
138N97.9Very high97.5Very high63 Ų6346.4 Ų46.434%0.33725%0.25SC..Iπ-helixtrans-102.6-6.6-169.1-59-50.9000113.8H134 A220H134-N138 PolarHBondContact CD2-ND2 3.25Å; H134-N138 VanDerWaalsContact CD2-ND2 3.33Å; H134-N138 PolarHBondContact CE1-ND2 2.81Å; H134-N138 PolarHBondContact ND1-ND2 3.28Å; H134-N138 PolarHBondContact NE2-ND2 3.09Å; H134-N138 WeakPolarHBondContact O-CB 3.48Å; H134-N138 PolarHBondContact O-N 3.01Å; H134-N138 PolarHBondContact O-ND2 2.84Å; N138-A220 HydrophobicContact CB-CB 4.13Å
139F98.6Very high97.4Very high4 Ų447 Ų472%0.01826%0.257CS..Iπ-helixtrans-132.1-59.3178.7-178.4-120000112.6L50 T54 V135 P142 L143 Q217 L218 F221L50-F139 HydrophobicContact CD2-CE2 4.48Å; L50-F139 HydrophobicContact CD2-CZ 3.72Å; L50-F139 HydrophobicContact CG-CE1 4.44Å; L50-F139 HydrophobicContact CG-CZ 4.04Å; T54-F139 HydrophobicContact CG2-CD1 4.1Å; T54-F139 HydrophobicContact CG2-CE1 4.06Å; V135-F139 HydrophobicContact CG1-CB 4.39Å; V135-F139 HydrophobicContact CG1-CD1 4.18Å; V135-F139 WeakPolarHBondContact O-CA 3.42Å; V135-F139 VanDerWaalsContact O-CB 3.29Å; V135-F139 WeakPolarHBondContact O-CB 3.48Å; V135-F139 PolarHBondContact O-N 2.99Å; V135-F139 VanDerWaalsContact O-N 3.11Å; F139-P142 WeakPolarHBondContact O-CD 3.46Å; F139-L143 HydrophobicContact CD1-CD1 4.39Å; F139-L143 HydrophobicContact CD2-CD1 4.18Å; F139-L143 HydrophobicContact CD2-CG 4.44Å; F139-L143 HydrophobicContact CE1-CD1 4.01Å; F139-L143 HydrophobicContact CE2-CD1 3.79Å; F139-L143 HydrophobicContact CE2-CG 4.33Å; F139-L143 HydrophobicContact CG-CD1 4.48Å; F139-L143 HydrophobicContact CZ-CD1 3.7Å; F139-L143 WeakPolarHBondContact O-CB 3.42Å; F139-L143 VanDerWaalsContact O-CG 3.28Å; F139-L143 WeakPolarHBondContact O-CG 3.43Å; F139-L143 PolarHBondContact O-N 2.87Å; F139-L143 VanDerWaalsContact O-N 3.08Å; F139-Q217 HydrophobicContact CD2-CB 4.08Å; F139-Q217 WeakPolarHBondContact CD2-O 3.27Å; F139-L218 HydrophobicContact CE2-CB 4.5Å; F139-L218 HydrophobicContact CE2-CD1 4.34Å; F139-L218 HydrophobicContact CZ-CD1 4.36Å; F139-F221 HydrophobicContact CB-CB 4.13Å; F139-F221 HydrophobicContact CD1-CB 3.88Å; F139-F221 AromaticContact CD1-CD2 3.93Å; F139-F221 HydrophobicContact CD1-CD2 3.93Å; F139-F221 AromaticContact CD1-CG 3.99Å; F139-F221 HydrophobicContact CD1-CG 3.99Å; F139-F221 HydrophobicContact CD2-CB 3.96Å; F139-F221 HydrophobicContact CE1-CB 4.2Å; F139-F221 HydrophobicContact CE1-CD2 4.25Å; F139-F221 HydrophobicContact CE1-CG 4.07Å; F139-F221 HydrophobicContact CE2-CB 4.26Å; F139-F221 HydrophobicContact CG-CB 3.74Å; F139-F221 HydrophobicContact CG-CG 4.36Å; F139-F221 HydrophobicContact CZ-CB 4.36Å
140L98.3Very high97.4Very high9 Ų947.1 Ų47.15%0.04726%0.261CS..Iπ-helixtrans-67.7-41.5-175.6-64176.6000113.7T51 T54 R55 L58 V135 R136 L143 G144T51-L140 HydrophobicContact CG2-CD2 4Å; T54-L140 HydrophobicContact CG2-CD1 4.46Å; T54-L140 HydrophobicContact CG2-CD2 3.78Å; T54-L140 HydrophobicContact CG2-CG 4.28Å; R55-L140 HydrophobicContact CG-CD1 3.91Å; L58-L140 HydrophobicContact CD1-CD1 4.5Å; V135-L140 HydrophobicContact CG1-CG 4.36Å; V135-L140 PolarHBondContact O-N 3.03Å; R136-L140 PolarHBondContact O-N 2.96Å; L140-L143 PolarHBondContact O-N 2.99Å; L140-G144 PolarHBondContact O-N 2.84Å
141D97.9Very high97.4Very high89 Ų8944.6 Ų44.648%0.47624%0.241SC..Hα-helixtrans-68.1-44179.7-68.9-16.4000111.4R136 L143 G144 H145R136-D141 WeakPolarHBondContact O-CB 3.29Å; R136-D141 PolarHBondContact O-N 3.34Å; D141-L143 PolarHBondContact O-N 3.35Å; D141-G144 CarbonylContact O-C 3.56Å; D141-G144 PolarHBondContact O-N 3.09Å; D141-H145 PolarHBondContact O-N 3.42Å
142P97.7Very high97.3Very high33 Ų3350.8 Ų50.821%0.21427%0.267CS..Hα-helixtrans-57.2-44.6169.9-29.635.8000114.3Q137 F139 G144 H145 L146 Q217Q137-P142 VanDerWaalsContact O-CD 3.25Å; Q137-P142 WeakPolarHBondContact O-CD 3.48Å; F139-P142 WeakPolarHBondContact O-CD 3.46Å; P142-G144 VanDerWaalsContact C-N 3.31Å; P142-G144 PolarHBondContact O-N 3.49Å; P142-H145 WeakPolarHBondContact O-CB 3.42Å; P142-H145 PolarHBondContact O-N 2.84Å; P142-L146 PolarHBondContact O-N 3.43Å; P142-Q217 HydrophobicContact CB-CG 3.87Å
143L97.7Very high97.3Very high9 Ų955.6 Ų55.65%0.04729%0.289CS..Hα-helixtrans-61.4-41.1174-72.1-176.5000111.9I47 L50 F139 L140 D141 H145 L146 L147I47-L143 HydrophobicContact CG1-CD2 4.35Å; I47-L143 HydrophobicContact CG2-CB 3.87Å; I47-L143 HydrophobicContact CG2-CD2 4.1Å; I47-L143 HydrophobicContact CG2-CG 4.39Å; L50-L143 HydrophobicContact CD2-CD1 4.27Å; F139-L143 HydrophobicContact CD1-CD1 4.39Å; F139-L143 HydrophobicContact CD2-CD1 4.18Å; F139-L143 HydrophobicContact CD2-CG 4.44Å; F139-L143 HydrophobicContact CE1-CD1 4.01Å; F139-L143 HydrophobicContact CE2-CD1 3.79Å; F139-L143 HydrophobicContact CE2-CG 4.33Å; F139-L143 HydrophobicContact CG-CD1 4.48Å; F139-L143 HydrophobicContact CZ-CD1 3.7Å; F139-L143 WeakPolarHBondContact O-CB 3.42Å; F139-L143 VanDerWaalsContact O-CG 3.28Å; F139-L143 WeakPolarHBondContact O-CG 3.43Å; F139-L143 PolarHBondContact O-N 2.87Å; F139-L143 VanDerWaalsContact O-N 3.08Å; L140-L143 PolarHBondContact O-N 2.99Å; D141-L143 PolarHBondContact O-N 3.35Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-H145 PolarHBondContact O-N 3.1Å; L143-L146 PolarHBondContact O-N 2.88Å; L143-L147 PolarHBondContact O-N 3.45Å; L143-L147 VanDerWaalsContact O-N 3.11Å
144G97.1Very high97.4Very high29 Ų2952.1 Ų52.130%0.29927%0.271SS..Hα-helixtrans-63.1-37.3174.400000113L140 D141 P142 A148L140-G144 PolarHBondContact O-N 2.84Å; D141-G144 CarbonylContact O-C 3.56Å; D141-G144 PolarHBondContact O-N 3.09Å; P142-G144 VanDerWaalsContact C-N 3.31Å; P142-G144 PolarHBondContact O-N 3.49Å; G144-A148 VanDerWaalsContact O-CB 3.28Å; G144-A148 WeakPolarHBondContact O-CB 3.46Å; G144-A148 PolarHBondContact O-N 2.8Å
145H96.8Very high97.4Very high117 Ų11751 Ų5154%0.54227%0.267SS..Hα-helixtrans-63.6-52.3173.7-178.1-86.5000110.6D141 P142 L143 L147 A148 T149D141-H145 PolarHBondContact O-N 3.42Å; P142-H145 WeakPolarHBondContact O-CB 3.42Å; P142-H145 PolarHBondContact O-N 2.84Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-H145 PolarHBondContact O-N 3.1Å; H145-L147 VanDerWaalsContact C-N 3.26Å; H145-L147 PolarHBondContact O-N 2.96Å; H145-A148 CarbonylContact O-C 3.49Å; H145-A148 PolarHBondContact O-N 2.93Å; H145-T149 PolarHBondContact CE1-OG1 3.27Å; H145-T149 VanDerWaalsContact CE1-OG1 3.32Å; H145-T149 PolarHBondContact ND1-OG1 2.87Å; H145-T149 PolarHBondContact O-N 3.3Å; H145-T149 PolarHBondContact O-OG1 3.39Å
146L96.6Very high97.4Very high10 Ų1056.4 Ų56.45%0.05229%0.292CS..Hα-helixtrans-52.5-41.6178178.158.9000112.8I47 P142 L143 D150 L151 Q214I47-L146 HydrophobicContact CD1-CD2 3.43Å; I47-L146 VanDerWaalsContact CD1-CD2 3.43Å; I47-L146 HydrophobicContact CD1-CG 3.93Å; I47-L146 HydrophobicContact CG1-CD2 4.47Å; P142-L146 PolarHBondContact O-N 3.43Å; L143-L146 PolarHBondContact O-N 2.88Å; L146-D150 HydrophobicContact CD1-CB 3.98Å; L146-D150 PolarHBondContact O-N 2.64Å; L146-L151 HydrophobicContact CG-CD1 4.4Å; L146-L151 PolarHBondContact O-N 3.18Å; L146-L151 VanDerWaalsContact O-N 3.1Å; L146-Q214 HydrophobicContact CD2-CG 4.23Å
147L96Very high97.5Very high40 Ų4054.3 Ų54.321%0.20929%0.286CS..Hα-helixtrans-65.6-44.7173.1-81.5170.5000112.9T44 I47 D48 L143 H145 L151 K152T44-L147 HydrophobicContact CG2-CD2 4.14Å; I47-L147 HydrophobicContact CB-CD1 4.33Å; I47-L147 HydrophobicContact CB-CD2 4.33Å; I47-L147 HydrophobicContact CB-CG 4.21Å; I47-L147 HydrophobicContact CG2-CD1 3.55Å; I47-L147 HydrophobicContact CG2-CD2 4.27Å; I47-L147 HydrophobicContact CG2-CG 3.61Å; D48-L147 WeakPolarHBondContact OD1-CD1 3.13Å; L143-L147 PolarHBondContact O-N 3.45Å; L143-L147 VanDerWaalsContact O-N 3.11Å; H145-L147 VanDerWaalsContact C-N 3.26Å; H145-L147 PolarHBondContact O-N 2.96Å; L147-L151 HydrophobicContact CD2-CD1 3.7Å; L147-L151 HydrophobicContact CG-CD1 4.34Å; L147-K152 PolarHBondContact O-N 3.02Å
148A96.7Very high97.5Very high60 Ų6050.4 Ų50.450%0.49627%0.266SS..Hα-helixtrans-77.2-24.1-173.300000113.9G144 H145 K152G144-A148 VanDerWaalsContact O-CB 3.28Å; G144-A148 WeakPolarHBondContact O-CB 3.46Å; G144-A148 PolarHBondContact O-N 2.8Å; H145-A148 CarbonylContact O-C 3.49Å; H145-A148 PolarHBondContact O-N 2.93Å; A148-K152 WeakPolarHBondContact O-CB 3.46Å; A148-K152 VanDerWaalsContact O-CD 3.23Å; A148-K152 WeakPolarHBondContact O-CD 3.4Å
149T96.4Very high97.5Very high48 Ų4854.2 Ų54.229%0.29428%0.28SS..THydrogen-bonded Turntrans-105.7-81.4-179.554.50000111.4H145 K152 E153H145-T149 PolarHBondContact CE1-OG1 3.27Å; H145-T149 VanDerWaalsContact CE1-OG1 3.32Å; H145-T149 PolarHBondContact ND1-OG1 2.87Å; H145-T149 PolarHBondContact O-N 3.3Å; H145-T149 PolarHBondContact O-OG1 3.39Å; T149-K152 WeakPolarHBondContact O-CB 3.43Å; T149-K152 PolarHBondContact O-N 3.33Å; T149-E153 WeakPolarHBondContact O-CB 3.13Å; T149-E153 PolarHBondContact O-N 3.37Å
150D97Very high97.4Very high62 Ų6258.2 Ų58.233%0.33230%0.297SS..Hα-helixtrans-71.7-45.2-161.3-47.9-70.6000110.7L146 K152 E153 V154 V207L146-D150 HydrophobicContact CD1-CB 3.98Å; L146-D150 PolarHBondContact O-N 2.64Å; D150-K152 VanDerWaalsContact C-N 3.29Å; D150-K152 PolarHBondContact O-N 2.85Å; D150-E153 PolarHBondContact O-N 2.85Å; D150-V154 WeakPolarHBondContact O-CG2 3.24Å; D150-V154 PolarHBondContact O-N 3.4Å; D150-V207 HydrophobicContact CB-CG2 3.78Å
151L97.5Very high97.4Very high1 Ų158 Ų581%0.00530%0.296CS..Hα-helixtrans-67.7-31.3176.5-71.4174.3000112.5V40 T44 I47 L146 L147 N155 V207V40-L151 HydrophobicContact CG1-CD2 3.78Å; T44-L151 HydrophobicContact CG2-CD1 4.45Å; T44-L151 WeakPolarHBondContact OG1-CD2 3.46Å; I47-L151 HydrophobicContact CD1-CD1 3.61Å; L146-L151 HydrophobicContact CG-CD1 4.4Å; L146-L151 PolarHBondContact O-N 3.18Å; L146-L151 VanDerWaalsContact O-N 3.1Å; L147-L151 HydrophobicContact CD2-CD1 3.7Å; L147-L151 HydrophobicContact CG-CD1 4.34Å; L151-N155 WeakPolarHBondContact O-CB 3.38Å; L151-N155 PolarHBondContact O-N 3.4Å; L151-N155 PolarHBondContact O-ND2 2.81Å; L151-V207 HydrophobicContact CD2-CG1 3.85Å; L151-V207 HydrophobicContact CD2-CG2 4.49Å
152K97.3Very high97.3Very high143 Ų14358.3 Ų58.362%0.62229%0.294SS*.Hα-helixtrans-68.7-39.2173.4-171.7-178.9-179.5-179.20111.5L147 A148 T149 D150 N155 H156L147-K152 PolarHBondContact O-N 3.02Å; A148-K152 WeakPolarHBondContact O-CB 3.46Å; A148-K152 VanDerWaalsContact O-CD 3.23Å; A148-K152 WeakPolarHBondContact O-CD 3.4Å; T149-K152 WeakPolarHBondContact O-CB 3.43Å; T149-K152 PolarHBondContact O-N 3.33Å; D150-K152 VanDerWaalsContact C-N 3.29Å; D150-K152 PolarHBondContact O-N 2.85Å; K152-N155 PolarHBondContact O-N 2.86Å; K152-H156 PolarHBondContact O-N 2.92Å
153E97.8Very high97.2Very high107 Ų10757.6 Ų57.650%0.529%0.293SS..Hα-helixtrans-66.3-46.3175.3180167.6-16300111.6T149 D150 N155 H156 H157T149-E153 WeakPolarHBondContact O-CB 3.13Å; T149-E153 PolarHBondContact O-N 3.37Å; D150-E153 PolarHBondContact O-N 2.85Å; E153-N155 VanDerWaalsContact C-N 3.3Å; E153-N155 PolarHBondContact O-N 2.96Å; E153-H156 WeakPolarHBondContact O-CA 2.97Å; E153-H156 VanDerWaalsContact O-CB 3.31Å; E153-H156 WeakPolarHBondContact O-CB 3.47Å; E153-H156 PolarHBondContact O-N 3.49Å; E153-H157 WeakPolarHBondContact CG-NE2 3.5Å; E153-H157 PolarHBondContact O-CD2 2.9Å; E153-H157 PolarHBondContact O-N 3.21Å; E153-H157 IonicContact OE1-NE2 3.63Å; E153-H157 PolarHBondContact OE1-NE2 3.5Å
154V98.3Very high97.2Very high1 Ų160.1 Ų60.11%0.00630%0.301CS..Hα-helixtrans-54.6-47.6172.5170.50000111.1V40 D150 H156 H157 R158 A203 M204 V207V40-V154 HydrophobicContact CG1-CG1 3.92Å; D150-V154 WeakPolarHBondContact O-CG2 3.24Å; D150-V154 PolarHBondContact O-N 3.4Å; V154-H156 VanDerWaalsContact C-N 3.29Å; V154-H156 PolarHBondContact O-N 3.18Å; V154-H157 PolarHBondContact O-N 3.44Å; V154-R158 HydrophobicContact CG1-CG 4.3Å; V154-R158 WeakPolarHBondContact O-CG 3.24Å; V154-R158 PolarHBondContact O-N 3.5Å; V154-A203 HydrophobicContact CG2-CB 3.85Å; V154-A203 WeakPolarHBondContact CG2-O 3.36Å; V154-M204 HydrophobicContact CG1-CG 3.48Å; V154-M204 VanDerWaalsContact CG1-CG 3.48Å; V154-M204 HydrophobicContact CG1-SD 4.48Å; V154-M204 HydrophobicContact CG2-CG 4.49Å; V154-V207 HydrophobicContact CG2-CG2 3.85Å
155N97.5Very high97.2Very high53 Ų5360.2 Ų60.228%0.28329%0.293SS..Hα-helixtrans-61-36.4176.4-86.2-57.9000112.9L151 K152 E153 K159L151-N155 WeakPolarHBondContact O-CB 3.38Å; L151-N155 PolarHBondContact O-N 3.4Å; L151-N155 PolarHBondContact O-ND2 2.81Å; K152-N155 PolarHBondContact O-N 2.86Å; E153-N155 VanDerWaalsContact C-N 3.3Å; E153-N155 PolarHBondContact O-N 2.96Å; N155-K159 WeakPolarHBondContact O-CB 3.26Å; N155-K159 VanDerWaalsContact O-CG 3.27Å; N155-K159 WeakPolarHBondContact O-CG 3.48Å; N155-K159 PolarHBondContact O-N 2.83Å
156H98.3Very high97.1Very high114 Ų11455.3 Ų55.353%0.52827%0.271SS..Hα-helixtrans-62.9-47.9173.6175.679000111.4K152 E153 V154 K159 K160K152-H156 PolarHBondContact O-N 2.92Å; E153-H156 WeakPolarHBondContact O-CA 2.97Å; E153-H156 VanDerWaalsContact O-CB 3.31Å; E153-H156 WeakPolarHBondContact O-CB 3.47Å; E153-H156 PolarHBondContact O-N 3.49Å; V154-H156 VanDerWaalsContact C-N 3.29Å; V154-H156 PolarHBondContact O-N 3.18Å; H156-K159 PolarHBondContact O-N 3.05Å; H156-K160 WeakPolarHBondContact O-CB 3.42Å; H156-K160 PolarHBondContact O-N 3.2Å
157H98.5Very high97Very high29 Ų2955.4 Ų55.413%0.13427%0.271CS..Hα-helixtrans-65.3-42.2179.4-66.9-53.8000112.6E153 V154 K160 L161 I199 A200E153-H157 WeakPolarHBondContact CG-NE2 3.5Å; E153-H157 PolarHBondContact O-CD2 2.9Å; E153-H157 PolarHBondContact O-N 3.21Å; E153-H157 IonicContact OE1-NE2 3.63Å; E153-H157 PolarHBondContact OE1-NE2 3.5Å; V154-H157 PolarHBondContact O-N 3.44Å; H157-K160 WeakPolarHBondContact O-CB 3.28Å; H157-K160 PolarHBondContact O-N 3.23Å; H157-L161 WeakPolarHBondContact O-CB 3.18Å; H157-L161 PolarHBondContact O-N 3.49Å; H157-I199 HydrophobicContact CB-CG2 4.46Å; H157-I199 VanDerWaalsContact CE1-CG2 3.44Å; H157-I199 WeakPolarHBondContact CE1-CG2 3.29Å; H157-I199 VanDerWaalsContact ND1-CG2 3.34Å; H157-I199 WeakPolarHBondContact ND1-CG2 3.45Å; H157-A200 HydrophobicContact CB-CB 4Å
158R97.9Very high97Very high37 Ų3754.9 Ų54.914%0.1427%0.266CS..Hα-helixtrans-60.9-45.4174.9-72.6177.764.5-160.61.5112.3E37 D41 V154 K160 L161 Q162 M204E37-R158 IonicContact OE1-CZ 2.94Å; E37-R158 IonicContact OE1-NE 3.47Å; E37-R158 PolarHBondContact OE1-NE 3.32Å; E37-R158 IonicContact OE1-NH2 2.77Å; E37-R158 PolarHBondContact OE1-NH2 3.3Å; D41-R158 IonicContact OD1-CZ 2.69Å; D41-R158 IonicContact OD1-NH1 3.87Å; D41-R158 PolarHBondContact OD1-NH1 3.31Å; D41-R158 IonicContact OD1-NH2 3.77Å; D41-R158 PolarHBondContact OD1-NH2 2.83Å; D41-R158 IonicContact OD2-CZ 2.8Å; D41-R158 IonicContact OD2-NH1 3.93Å; D41-R158 IonicContact OD2-NH2 2.89Å; D41-R158 PolarHBondContact OD2-NH2 3.02Å; D41-R158 VanDerWaalsContact OD2-NH2 3.08Å; V154-R158 HydrophobicContact CG1-CG 4.3Å; V154-R158 WeakPolarHBondContact O-CG 3.24Å; V154-R158 PolarHBondContact O-N 3.5Å; R158-K160 VanDerWaalsContact C-N 3.32Å; R158-K160 PolarHBondContact O-N 3.5Å; R158-L161 PolarHBondContact O-N 3.08Å; R158-Q162 WeakPolarHBondContact O-CB 3.24Å; R158-Q162 PolarHBondContact O-N 2.91Å; R158-M204 HydrophobicContact CG-SD 4.3Å
159K97.5Very high96.8Very high144 Ų14452.1 Ų52.163%0.62624%0.244SC*.Hα-helixtrans-61-41.1174.5-75.4173.1-175.5173.30111.9N155 H156 G163N155-K159 WeakPolarHBondContact O-CB 3.26Å; N155-K159 VanDerWaalsContact O-CG 3.27Å; N155-K159 WeakPolarHBondContact O-CG 3.48Å; N155-K159 PolarHBondContact O-N 2.83Å; H156-K159 PolarHBondContact O-N 3.05Å; K159-G163 PolarHBondContact O-N 3.48Å
160K97.8Very high96.6Very high88 Ų8850.5 Ų50.538%0.38323%0.234SC..Hα-helixtrans-64.2-45.4176.5-173.7177.9178.4-176.10111.1H156 H157 R158 G163 R164H156-K160 WeakPolarHBondContact O-CB 3.42Å; H156-K160 PolarHBondContact O-N 3.2Å; H157-K160 WeakPolarHBondContact O-CB 3.28Å; H157-K160 PolarHBondContact O-N 3.23Å; R158-K160 VanDerWaalsContact C-N 3.32Å; R158-K160 PolarHBondContact O-N 3.5Å; K160-G163 CarbonylContact O-C 3.5Å; K160-G163 WeakPolarHBondContact O-CA 3.17Å; K160-G163 PolarHBondContact O-N 2.74Å; K160-R164 WeakPolarHBondContact O-CG 3.46Å; K160-R164 PolarHBondContact O-N 3.14Å
161L97.9Very high96.4Very high4 Ų449.2 Ų49.22%0.02123%0.225CC..Hα-helixtrans-58.7-50.4175.9173.157.8000111.5L29 Y33 H157 R158 G163 R164 R165 L193 K197 A200L29-L161 HydrophobicContact CD1-CD2 3.9Å; Y33-L161 HydrophobicContact CD2-CD2 4.45Å; Y33-L161 HydrophobicContact CE2-CD2 3.45Å; Y33-L161 VanDerWaalsContact CE2-CD2 3.45Å; Y33-L161 WeakPolarHBondContact OH-CD2 3.34Å; H157-L161 WeakPolarHBondContact O-CB 3.18Å; H157-L161 PolarHBondContact O-N 3.49Å; R158-L161 PolarHBondContact O-N 3.08Å; L161-G163 PolarHBondContact O-N 3.32Å; L161-R164 CarbonylContact O-C 3.57Å; L161-R164 WeakPolarHBondContact O-CA 3.27Å; L161-R164 WeakPolarHBondContact O-CB 3.28Å; L161-R164 PolarHBondContact O-N 3.48Å; L161-R165 PolarHBondContact O-N 2.9Å; L161-L193 HydrophobicContact CD1-CD1 3.48Å; L161-L193 VanDerWaalsContact CD1-CD1 3.48Å; L161-K197 HydrophobicContact CD1-CB 3.97Å; L161-K197 HydrophobicContact CD2-CB 4.41Å; L161-A200 HydrophobicContact CD2-CB 4.11Å
162Q95.8Very high96.1Very high96 Ų9652.9 Ų52.945%0.44924%0.239SC..Hα-helixtrans-55.7-42.7175.6-171.7-177.432.700111.3R158 R164 R165 L166R158-Q162 WeakPolarHBondContact O-CB 3.24Å; R158-Q162 PolarHBondContact O-N 2.91Å; Q162-R164 VanDerWaalsContact C-N 3.29Å; Q162-R164 PolarHBondContact O-N 2.95Å; Q162-R165 PolarHBondContact O-N 3.16Å; Q162-L166 WeakPolarHBondContact O-CG 3.3Å; Q162-L166 PolarHBondContact O-N 2.85Å; Q162-L166 VanDerWaalsContact O-N 3.09Å
163G95.6Very high95.7Very high17 Ų1750.2 Ų50.218%0.17523%0.225CC..Hα-helixtrans-64.9-27.2174.700000114.4K12 K159 K160 L161K12-G163 WeakPolarHBondContact CE-O 3.18Å; K12-G163 PolarHBondContact NZ-O 3Å; K159-G163 PolarHBondContact O-N 3.48Å; K160-G163 CarbonylContact O-C 3.5Å; K160-G163 WeakPolarHBondContact O-CA 3.17Å; K160-G163 PolarHBondContact O-N 2.74Å; L161-G163 PolarHBondContact O-N 3.32Å
164R96.8Very high95.2Very high62 Ų6247.8 Ų47.823%0.23421%0.213CC..Hα-helixtrans-79.1-39.6172.3-66.6-58.4-174173.60.2111.9K160 L161 Q162 L166 D167 Y168 L193 S196K160-R164 WeakPolarHBondContact O-CG 3.46Å; K160-R164 PolarHBondContact O-N 3.14Å; L161-R164 CarbonylContact O-C 3.57Å; L161-R164 WeakPolarHBondContact O-CA 3.27Å; L161-R164 WeakPolarHBondContact O-CB 3.28Å; L161-R164 PolarHBondContact O-N 3.48Å; Q162-R164 VanDerWaalsContact C-N 3.29Å; Q162-R164 PolarHBondContact O-N 2.95Å; R164-L166 PolarHBondContact O-N 3.07Å; R164-D167 WeakPolarHBondContact O-CB 3.49Å; R164-D167 PolarHBondContact O-N 3.39Å; R164-D167 VanDerWaalsContact O-N 3.1Å; R164-Y168 PolarHBondContact O-N 2.71Å; R164-L193 HydrophobicContact CB-CB 4.45Å; R164-L193 HydrophobicContact CB-CD1 4.16Å; R164-S196 WeakPolarHBondContact CG-OG 3.49Å
165R97.1Very high94.7Very high32 Ų3249.8 Ų49.812%0.12122%0.222CC..Hα-helixtrans-57.2-49.3176.1-172.6-164.862.179.1-11.5111.1E19 T27 L161 Q162 D167 Y168 D169 L193E19-R165 IonicContact OE1-CZ 3.45Å; E19-R165 IonicContact OE1-NH1 3.08Å; E19-R165 PolarHBondContact OE1-NH1 3.38Å; E19-R165 IonicContact OE1-NH2 3.21Å; E19-R165 IonicContact OE2-CZ 3.34Å; E19-R165 VanDerWaalsContact OE2-CZ 3.31Å; E19-R165 IonicContact OE2-NH1 3.84Å; E19-R165 PolarHBondContact OE2-NH1 3.12Å; E19-R165 IonicContact OE2-NH2 3.5Å; E19-R165 PolarHBondContact OE2-NH2 2.84Å; T27-R165 VanDerWaalsContact O-CD 3.3Å; T27-R165 WeakPolarHBondContact O-CD 3.28Å; L161-R165 PolarHBondContact O-N 2.9Å; Q162-R165 PolarHBondContact O-N 3.16Å; R165-D167 VanDerWaalsContact C-N 3.27Å; R165-D167 PolarHBondContact O-N 3.07Å; R165-Y168 PolarHBondContact O-N 3.39Å; R165-D169 WeakPolarHBondContact CG-OD2 3.35Å; R165-D169 IonicContact CZ-OD2 3.29Å; R165-D169 IonicContact NH1-OD2 3.85Å; R165-D169 PolarHBondContact NH1-OD2 2.92Å; R165-D169 WeakPolarHBondContact O-CB 3.42Å; R165-D169 PolarHBondContact O-N 3.07Å; R165-L193 HydrophobicContact CB-CD1 4Å
166L94.6Very high94.2Very high14 Ų1453.2 Ų53.27%0.07325%0.245CC..Hα-helixtrans-61.7-33.5177.1-67.3172.3000113.1K12 Q15 Y16 Q162 R164 C170K12-L166 HydrophobicContact CB-CB 4.24Å; K12-L166 HydrophobicContact CG-CB 4.22Å; Q15-L166 HydrophobicContact CB-CD2 4.21Å; Q15-L166 HydrophobicContact CG-CB 4.4Å; Q15-L166 HydrophobicContact CG-CD2 3.75Å; Y16-L166 HydrophobicContact CD2-CD1 4.4Å; Q162-L166 WeakPolarHBondContact O-CG 3.3Å; Q162-L166 PolarHBondContact O-N 2.85Å; Q162-L166 VanDerWaalsContact O-N 3.09Å; R164-L166 PolarHBondContact O-N 3.07Å; L166-C170 VanDerWaalsContact O-CB 3.26Å; L166-C170 WeakPolarHBondContact O-CB 3.41Å; L166-C170 PolarHBondContact O-N 2.86Å; L166-C170 VanDerWaalsContact O-N 3.17Å
167D94.2Very high93.5Very high12 Ų1256.3 Ų56.36%0.06426%0.257CS..Hα-helixtrans-68.7-47.7176.5-165.643000111K8 R164 R165 K171K8-D167 WeakPolarHBondContact CE-OD1 3.35Å; K8-D167 WeakPolarHBondContact CE-OD2 3.18Å; K8-D167 IonicContact NZ-OD1 3.85Å; K8-D167 IonicContact NZ-OD2 2.66Å; K8-D167 PolarHBondContact NZ-OD2 3.25Å; R164-D167 WeakPolarHBondContact O-CB 3.49Å; R164-D167 PolarHBondContact O-N 3.39Å; R164-D167 VanDerWaalsContact O-N 3.1Å; R165-D167 VanDerWaalsContact C-N 3.27Å; R165-D167 PolarHBondContact O-N 3.07Å; D167-K171 WeakPolarHBondContact O-CB 3.29Å; D167-K171 WeakPolarHBondContact O-CG 3.27Å; D167-K171 PolarHBondContact O-N 3.38Å; D167-K171 VanDerWaalsContact O-N 3.08Å
168Y95.8Very high92.9Very high28 Ų2858.5 Ų58.511%0.1127%0.269CS..Hα-helixtrans-62-49.7177.4169.8-106.6000111.4T27 R164 R165 C170 K171 R172 V186 A189 E190 L193T27-Y168 HydrophobicContact CG2-CE1 4.32Å; T27-Y168 WeakPolarHBondContact OG1-CE1 3.41Å; R164-Y168 PolarHBondContact O-N 2.71Å; R165-Y168 PolarHBondContact O-N 3.39Å; Y168-C170 VanDerWaalsContact C-N 3.31Å; Y168-C170 PolarHBondContact O-N 2.89Å; Y168-K171 PolarHBondContact O-N 2.78Å; Y168-K171 VanDerWaalsContact O-N 3.15Å; Y168-R172 WeakPolarHBondContact O-CB 3.47Å; Y168-R172 PolarHBondContact O-N 2.97Å; Y168-R172 PolarHBondContact OH-NH1 3.02Å; Y168-V186 HydrophobicContact CD2-CG1 4.39Å; Y168-V186 HydrophobicContact CE2-CG1 3.94Å; Y168-A189 HydrophobicContact CD2-CB 4.24Å; Y168-E190 HydrophobicContact CD2-CB 4.03Å; Y168-E190 HydrophobicContact CE2-CB 3.78Å; Y168-E190 HydrophobicContact CE2-CG 4.17Å; Y168-L193 HydrophobicContact CD1-CD2 3.52Å; Y168-L193 HydrophobicContact CE1-CD2 4.1Å; Y168-L193 HydrophobicContact CG-CD2 3.83Å
169D94Very high92.1Very high3 Ų359.6 Ų59.62%0.01629%0.286CS..Hα-helixtrans-61.2-39.9-179.7-72.2-23.8000112.2Q15 T27 R165 R172 R173Q15-D169 HydrophobicContact CG-CB 4.11Å; T27-D169 WeakPolarHBondContact CB-OD1 3.49Å; T27-D169 PolarHBondContact N-OD1 2.8Å; T27-D169 PolarHBondContact N-OD2 3.1Å; T27-D169 VanDerWaalsContact N-OD2 3.1Å; T27-D169 PolarHBondContact OG1-OD1 3.06Å; R165-D169 WeakPolarHBondContact CG-OD2 3.35Å; R165-D169 IonicContact CZ-OD2 3.29Å; R165-D169 IonicContact NH1-OD2 3.85Å; R165-D169 PolarHBondContact NH1-OD2 2.92Å; R165-D169 WeakPolarHBondContact O-CB 3.42Å; R165-D169 PolarHBondContact O-N 3.07Å; D169-R172 IonicContact OD1-CZ 2.96Å; D169-R172 IonicContact OD1-NH1 3.95Å; D169-R172 IonicContact OD1-NH2 3.69Å; D169-R172 PolarHBondContact OD1-NH2 3.33Å; D169-R173 PolarHBondContact O-N 2.87Å
170C92Very high91.4Very high13 Ų1361.6 Ų61.69%0.08830%0.297CS..Hα-helixtrans-63.8-45.5175.5-176.90000112Q15 L166 Y168 R173 K174Q15-C170 HydrophobicContact CB-CB 4.29Å; Q15-C170 HydrophobicContact CG-CB 4.46Å; L166-C170 VanDerWaalsContact O-CB 3.26Å; L166-C170 WeakPolarHBondContact O-CB 3.41Å; L166-C170 PolarHBondContact O-N 2.86Å; L166-C170 VanDerWaalsContact O-N 3.17Å; Y168-C170 VanDerWaalsContact C-N 3.31Å; Y168-C170 PolarHBondContact O-N 2.89Å; C170-R173 PolarHBondContact O-N 3.14Å; C170-K174 WeakPolarHBondContact O-CG 3.5Å; C170-K174 PolarHBondContact O-N 3.38Å
171K92.8Very high90.7Very high36 Ų3663.1 Ų63.116%0.15731%0.309CS..Hα-helixtrans-68.9-42-179.6-75.5172.2155.8-161.10112.1D167 Y168 R173 K174 Q175 E185 V186 A189D167-K171 WeakPolarHBondContact O-CB 3.29Å; D167-K171 WeakPolarHBondContact O-CG 3.27Å; D167-K171 PolarHBondContact O-N 3.38Å; D167-K171 VanDerWaalsContact O-N 3.08Å; Y168-K171 PolarHBondContact O-N 2.78Å; Y168-K171 VanDerWaalsContact O-N 3.15Å; K171-R173 VanDerWaalsContact C-N 3.32Å; K171-R173 PolarHBondContact O-N 2.92Å; K171-K174 CarbonylContact O-C 3.6Å; K171-K174 WeakPolarHBondContact O-CA 3.37Å; K171-K174 WeakPolarHBondContact O-CB 3.34Å; K171-K174 PolarHBondContact O-N 2.99Å; K171-Q175 PolarHBondContact O-N 3.38Å; K171-E185 HydrophobicContact CD-CB 4.43Å; K171-E185 WeakPolarHBondContact CD-O 3.23Å; K171-E185 PolarHBondContact NZ-O 3.48Å; K171-V186 HydrophobicContact CB-CG2 3.84Å; K171-A189 HydrophobicContact CD-CB 3.67Å
172R91.3Very high90.2Very high77 Ų7766 Ų6629%0.29132%0.321SS..Hα-helixtrans-59.1-42.9174.7-173.317763.1-166.5-1.1111.4T27 Y168 D169 K174 Q175 V176T27-R172 PolarHBondContact OG1-NH1 3.48Å; T27-R172 PolarHBondContact OG1-NH2 2.7Å; Y168-R172 WeakPolarHBondContact O-CB 3.47Å; Y168-R172 PolarHBondContact O-N 2.97Å; Y168-R172 PolarHBondContact OH-NH1 3.02Å; D169-R172 IonicContact OD1-CZ 2.96Å; D169-R172 IonicContact OD1-NH1 3.95Å; D169-R172 IonicContact OD1-NH2 3.69Å; D169-R172 PolarHBondContact OD1-NH2 3.33Å; R172-K174 VanDerWaalsContact C-N 3.27Å; R172-K174 PolarHBondContact O-N 2.83Å; R172-Q175 WeakPolarHBondContact O-CB 3.45Å; R172-Q175 PolarHBondContact O-N 3.11Å; R172-V176 WeakPolarHBondContact O-CG2 3.34Å; R172-V176 PolarHBondContact O-N 3.28Å; R172-V176 VanDerWaalsContact O-N 3.12Å
173R87.8Confident90Very high87 Ų8765.7 Ų65.733%0.32832%0.322SS..Hα-helixtrans-60.7-35.4173.8-172.8-176.9-61.114319.7112.7Q15 D169 C170 K171Q15-R173 VanDerWaalsContact OE1-NH1 3.1Å; D169-R173 PolarHBondContact O-N 2.87Å; C170-R173 PolarHBondContact O-N 3.14Å; K171-R173 VanDerWaalsContact C-N 3.32Å; K171-R173 PolarHBondContact O-N 2.92Å
174K88Confident89.8Confident57 Ų5769.9 Ų69.925%0.24834%0.337CS..Hα-helixtrans-74-37.4177.3-69.8172.7-178.6172.60112N11 C170 K171 R172 V176 K177 D178 Y182N11-K174 PolarHBondContact ND2-NZ 3.01Å; C170-K174 WeakPolarHBondContact O-CG 3.5Å; C170-K174 PolarHBondContact O-N 3.38Å; K171-K174 CarbonylContact O-C 3.6Å; K171-K174 WeakPolarHBondContact O-CA 3.37Å; K171-K174 WeakPolarHBondContact O-CB 3.34Å; K171-K174 PolarHBondContact O-N 2.99Å; R172-K174 VanDerWaalsContact C-N 3.27Å; R172-K174 PolarHBondContact O-N 2.83Å; K174-V176 VanDerWaalsContact C-N 3.29Å; K174-V176 PolarHBondContact O-N 3.21Å; K174-K177 WeakPolarHBondContact O-CA 3.15Å; K174-K177 WeakPolarHBondContact O-CB 3.48Å; K174-K177 PolarHBondContact O-N 2.89Å; K174-D178 PolarHBondContact O-N 3.45Å; K174-Y182 HydrophobicContact CB-CD1 4.16Å; K174-Y182 HydrophobicContact CB-CD2 4.03Å; K174-Y182 HydrophobicContact CB-CE1 4.06Å; K174-Y182 HydrophobicContact CB-CE2 3.94Å; K174-Y182 HydrophobicContact CB-CG 4.15Å; K174-Y182 HydrophobicContact CD-CE1 3.94Å
175Q88.2Confident89.6Confident42 Ų4271.1 Ų71.120%0.19635%0.345CS..Hα-helixtrans-60.3-37.7174.1-171.8-169.529.200112.2K171 R172 K177 D178 A179 D183 V186K171-Q175 PolarHBondContact O-N 3.38Å; R172-Q175 WeakPolarHBondContact O-CB 3.45Å; R172-Q175 PolarHBondContact O-N 3.11Å; Q175-K177 PolarHBondContact O-N 3.1Å; Q175-K177 VanDerWaalsContact O-N 3.16Å; Q175-D178 CarbonylContact O-C 3.31Å; Q175-D178 VanDerWaalsContact O-C 3.31Å; Q175-D178 PolarHBondContact O-N 2.6Å; Q175-A179 VanDerWaalsContact O-CA 3.23Å; Q175-A179 WeakPolarHBondContact O-CA 3.18Å; Q175-A179 PolarHBondContact O-N 3.34Å; Q175-A179 VanDerWaalsContact O-N 3.13Å; Q175-D183 PolarHBondContact NE2-OD1 3.19Å; Q175-V186 HydrophobicContact CB-CG2 3.84Å; Q175-V186 HydrophobicContact CG-CG2 4.29Å
176V86.2Confident89.4Confident125 Ų12569.9 Ų69.976%0.75834%0.341SS*.THydrogen-bonded Turntrans-58.9-27.5173173.80000112.2R172 K174R172-V176 WeakPolarHBondContact O-CG2 3.34Å; R172-V176 PolarHBondContact O-N 3.28Å; R172-V176 VanDerWaalsContact O-N 3.12Å; K174-V176 VanDerWaalsContact C-N 3.29Å; K174-V176 PolarHBondContact O-N 3.21Å
177K84.7Confident89.4Confident180 Ų18075.2 Ų75.278%0.78336%0.36SS*.THydrogen-bonded Turntrans-88.4-33.1176.4-61.8-174.6177.5-171.20113.2K174 Q175K174-K177 WeakPolarHBondContact O-CA 3.15Å; K174-K177 WeakPolarHBondContact O-CB 3.48Å; K174-K177 PolarHBondContact O-N 2.89Å; Q175-K177 PolarHBondContact O-N 3.1Å; Q175-K177 VanDerWaalsContact O-N 3.16Å
178D85.2Confident89.5Confident74 Ų7478.2 Ų78.240%0.39638%0.376SS..  trans-147.983-174.6-155.3-26.5000110.8K174 Q175 H180 L181 Y182K174-D178 PolarHBondContact O-N 3.45Å; Q175-D178 CarbonylContact O-C 3.31Å; Q175-D178 VanDerWaalsContact O-C 3.31Å; Q175-D178 PolarHBondContact O-N 2.6Å; D178-H180 PolarHBondContact O-N 3.03Å; D178-L181 WeakPolarHBondContact OD2-CD1 3.45Å; D178-Y182 HydrophobicContact CB-CD2 4.23Å; D178-Y182 HydrophobicContact CB-CE2 4.34Å; D178-Y182 WeakPolarHBondContact O-CD2 3.27Å
179A81.1Confident89.5Confident60 Ų6077 Ų7750%0.49637%0.371SS..Hα-helixtrans-62.7-48.4-165.100000113.2Q175 L181 Y182 D183Q175-A179 VanDerWaalsContact O-CA 3.23Å; Q175-A179 WeakPolarHBondContact O-CA 3.18Å; Q175-A179 PolarHBondContact O-N 3.34Å; Q175-A179 VanDerWaalsContact O-N 3.13Å; A179-L181 PolarHBondContact O-N 2.81Å; A179-Y182 PolarHBondContact O-N 3.45Å; A179-D183 PolarHBondContact O-N 3.46Å
180H81.8Confident89.6Confident186 Ų18681.5 Ų81.586%0.86139%0.393SS*.Hα-helixtrans-67.3-31.6-175-85.6-70.4000113.6D178D178-H180 PolarHBondContact O-N 3.03Å
181L84.3Confident89.8Confident121 Ų12186 Ų8663%0.63441%0.413SS*.Hα-helixtrans-76.4-26.9-178-69.9-176000113.4D178 A179D178-L181 WeakPolarHBondContact OD2-CD1 3.45Å; A179-L181 PolarHBondContact O-N 2.81Å
182Y87.8Confident90.1Very high65 Ų6588.8 Ų88.826%0.25542%0.424SS..Hα-helixtrans-110.9-2.8-172.1-72.1-80.9000114.4K174 D178 A179 E184 E185 V186K174-Y182 HydrophobicContact CB-CD1 4.16Å; K174-Y182 HydrophobicContact CB-CD2 4.03Å; K174-Y182 HydrophobicContact CB-CE1 4.06Å; K174-Y182 HydrophobicContact CB-CE2 3.94Å; K174-Y182 HydrophobicContact CB-CG 4.15Å; K174-Y182 HydrophobicContact CD-CE1 3.94Å; D178-Y182 HydrophobicContact CB-CD2 4.23Å; D178-Y182 HydrophobicContact CB-CE2 4.34Å; D178-Y182 WeakPolarHBondContact O-CD2 3.27Å; A179-Y182 PolarHBondContact O-N 3.45Å; Y182-E184 PolarHBondContact O-N 3.38Å; Y182-E185 HydrophobicContact CD1-CB 4.41Å; Y182-E185 PolarHBondContact O-N 2.75Å; Y182-E185 VanDerWaalsContact O-N 3.1Å; Y182-V186 WeakPolarHBondContact O-CG2 3.42Å; Y182-V186 PolarHBondContact O-N 3.2Å
183D90.5Very high90.3Very high88 Ų8885.7 Ų85.747%0.47141%0.414SS..Hα-helixtrans-55.7-55.1-175.3-164.655.9000112.9Q175 A179 E185 V186 R187Q175-D183 PolarHBondContact NE2-OD1 3.19Å; A179-D183 PolarHBondContact O-N 3.46Å; D183-E185 VanDerWaalsContact C-N 3.29Å; D183-E185 PolarHBondContact O-N 2.77Å; D183-V186 PolarHBondContact O-N 2.99Å; D183-R187 PolarHBondContact O-N 3.46Å
184E91.6Very high90.8Very high105 Ų10585.9 Ų85.949%0.49142%0.418SS..Hα-helixtrans-63.7-34.3175.7-73.6-64.117200112.8Y182 R187 L188Y182-E184 PolarHBondContact O-N 3.38Å; E184-R187 IonicContact OE1-CZ 3.26Å; E184-R187 IonicContact OE1-NH2 2.75Å; E184-R187 PolarHBondContact OE1-NH2 3.38Å; E184-R187 IonicContact OE2-CZ 2.79Å; E184-R187 VanDerWaalsContact OE2-CZ 3.31Å; E184-R187 IonicContact OE2-NE 3.91Å; E184-R187 PolarHBondContact OE2-NE 3.44Å; E184-R187 VanDerWaalsContact OE2-NE 3.13Å; E184-R187 IonicContact OE2-NH2 3.41Å; E184-R187 PolarHBondContact OE2-NH2 3.47Å; E184-L188 WeakPolarHBondContact O-CB 3.45Å; E184-L188 VanDerWaalsContact O-CG 3.28Å; E184-L188 WeakPolarHBondContact O-CG 3.23Å; E184-L188 PolarHBondContact O-N 2.85Å
185E92Very high91.3Very high88 Ų8887.2 Ų87.241%0.41143%0.425SS..Hα-helixtrans-68.5-35.3178-73.4-159.8-176.300113.1K171 Y182 D183 A189K171-E185 HydrophobicContact CD-CB 4.43Å; K171-E185 WeakPolarHBondContact CD-O 3.23Å; K171-E185 PolarHBondContact NZ-O 3.48Å; Y182-E185 HydrophobicContact CD1-CB 4.41Å; Y182-E185 PolarHBondContact O-N 2.75Å; Y182-E185 VanDerWaalsContact O-N 3.1Å; D183-E185 VanDerWaalsContact C-N 3.29Å; D183-E185 PolarHBondContact O-N 2.77Å; E185-A189 WeakPolarHBondContact O-CB 3.41Å; E185-A189 PolarHBondContact O-N 3Å
186V94.1Very high91.7Very high7 Ų785.6 Ų85.64%0.04242%0.418CS..Hα-helixtrans-72.5-46.9176.8170.80000109.6Y168 K171 Q175 Y182 D183 L188 A189 E190Y168-V186 HydrophobicContact CD2-CG1 4.39Å; Y168-V186 HydrophobicContact CE2-CG1 3.94Å; K171-V186 HydrophobicContact CB-CG2 3.84Å; Q175-V186 HydrophobicContact CB-CG2 3.84Å; Q175-V186 HydrophobicContact CG-CG2 4.29Å; Y182-V186 WeakPolarHBondContact O-CG2 3.42Å; Y182-V186 PolarHBondContact O-N 3.2Å; D183-V186 PolarHBondContact O-N 2.99Å; V186-L188 VanDerWaalsContact C-N 3.33Å; V186-L188 PolarHBondContact O-N 3.02Å; V186-A189 CarbonylContact O-C 3.57Å; V186-A189 WeakPolarHBondContact O-CA 3.21Å; V186-A189 WeakPolarHBondContact O-CB 3.49Å; V186-A189 PolarHBondContact O-N 2.83Å; V186-E190 PolarHBondContact O-N 3.46Å
187R94.4Very high92.3Very high125 Ų12580.6 Ų80.647%0.47239%0.387SS..Hα-helixtrans-55.1-47.7176.2-170.2176.569.7146.9-1.9111.9D183 E184 A189 E190 E191D183-R187 PolarHBondContact O-N 3.46Å; E184-R187 IonicContact OE1-CZ 3.26Å; E184-R187 IonicContact OE1-NH2 2.75Å; E184-R187 PolarHBondContact OE1-NH2 3.38Å; E184-R187 IonicContact OE2-CZ 2.79Å; E184-R187 VanDerWaalsContact OE2-CZ 3.31Å; E184-R187 IonicContact OE2-NE 3.91Å; E184-R187 PolarHBondContact OE2-NE 3.44Å; E184-R187 VanDerWaalsContact OE2-NE 3.13Å; E184-R187 IonicContact OE2-NH2 3.41Å; E184-R187 PolarHBondContact OE2-NH2 3.47Å; R187-A189 VanDerWaalsContact C-N 3.25Å; R187-A189 PolarHBondContact O-N 3.37Å; R187-E190 WeakPolarHBondContact O-CB 3.31Å; R187-E190 PolarHBondContact O-N 3.39Å; R187-E191 WeakPolarHBondContact O-CG 3.45Å; R187-E191 PolarHBondContact O-N 2.85Å
188L95.6Very high93Very high75 Ų7577.2 Ų77.239%0.39337%0.369SS..Hα-helixtrans-66.1-24175.5-71.8173.6000114.1E184 V186 K192E184-L188 WeakPolarHBondContact O-CB 3.45Å; E184-L188 VanDerWaalsContact O-CG 3.28Å; E184-L188 WeakPolarHBondContact O-CG 3.23Å; E184-L188 PolarHBondContact O-N 2.85Å; V186-L188 VanDerWaalsContact C-N 3.33Å; V186-L188 PolarHBondContact O-N 3.02Å; L188-K192 VanDerWaalsContact O-CD 3.32Å; L188-K192 WeakPolarHBondContact O-CD 3.43Å; L188-K192 VanDerWaalsContact O-CG 3.23Å; L188-K192 WeakPolarHBondContact O-CG 3.49Å
189A95.2Very high93.6Very high2 Ų276.2 Ų76.22%0.01736%0.363CS..Hα-helixtrans-81.4-36.6175.800000111.5Y168 K171 E185 V186 R187 K192 L193Y168-A189 HydrophobicContact CD2-CB 4.24Å; K171-A189 HydrophobicContact CD-CB 3.67Å; E185-A189 WeakPolarHBondContact O-CB 3.41Å; E185-A189 PolarHBondContact O-N 3Å; V186-A189 CarbonylContact O-C 3.57Å; V186-A189 WeakPolarHBondContact O-CA 3.21Å; V186-A189 WeakPolarHBondContact O-CB 3.49Å; V186-A189 PolarHBondContact O-N 2.83Å; R187-A189 VanDerWaalsContact C-N 3.25Å; R187-A189 PolarHBondContact O-N 3.37Å; A189-K192 PolarHBondContact O-N 3.17Å; A189-L193 WeakPolarHBondContact O-CB 3.48Å; A189-L193 PolarHBondContact O-N 3.5Å
190E96.3Very high94.4Very high99 Ų9973.3 Ų73.346%0.46334%0.339SS..Hα-helixtrans-62.5-50.9174-173.5172.2-170.400111.2Y168 V186 R187 K192 L193 E194Y168-E190 HydrophobicContact CD2-CB 4.03Å; Y168-E190 HydrophobicContact CE2-CB 3.78Å; Y168-E190 HydrophobicContact CE2-CG 4.17Å; V186-E190 PolarHBondContact O-N 3.46Å; R187-E190 WeakPolarHBondContact O-CB 3.31Å; R187-E190 PolarHBondContact O-N 3.39Å; E190-K192 PolarHBondContact O-N 3.39Å; E190-L193 WeakPolarHBondContact O-CA 3.46Å; E190-L193 WeakPolarHBondContact O-CB 3.44Å; E190-L193 PolarHBondContact O-N 3Å; E190-E194 PolarHBondContact O-N 3.46Å
191E97.6Very high95.2Very high108 Ų10866.2 Ų66.251%0.50531%0.307SS..Hα-helixtrans-55.4-41.6175.7-71.9174.6179.800112.1R187 L193 E195R187-E191 WeakPolarHBondContact O-CG 3.45Å; R187-E191 PolarHBondContact O-N 2.85Å; E191-L193 VanDerWaalsContact C-N 3.35Å; E191-E195 VanDerWaalsContact O-CB 3.32Å; E191-E195 WeakPolarHBondContact O-CB 3.1Å; E191-E195 PolarHBondContact O-N 3.2Å
192K97.6Very high95.8Very high93 Ų9364.7 Ų64.740%0.40430%0.298SS..Hα-helixtrans-72.4-29.3178.7-70.9175.2-168.7172.30112.9L188 A189 E190 S196L188-K192 VanDerWaalsContact O-CD 3.32Å; L188-K192 WeakPolarHBondContact O-CD 3.43Å; L188-K192 VanDerWaalsContact O-CG 3.23Å; L188-K192 WeakPolarHBondContact O-CG 3.49Å; A189-K192 PolarHBondContact O-N 3.17Å; E190-K192 PolarHBondContact O-N 3.39Å; K192-S196 WeakPolarHBondContact O-CB 3.31Å; K192-S196 PolarHBondContact O-N 2.7Å; K192-S196 PolarHBondContact O-OG 3.36Å
193L97.3Very high96.3Very high13 Ų1362.3 Ų62.37%0.06829%0.292CS..Hα-helixtrans-68.8-51.4173.817458.4000109.2L161 R164 R165 Y168 A189 E190 E191 E195 S196 K197L161-L193 HydrophobicContact CD1-CD1 3.48Å; L161-L193 VanDerWaalsContact CD1-CD1 3.48Å; R164-L193 HydrophobicContact CB-CB 4.45Å; R164-L193 HydrophobicContact CB-CD1 4.16Å; R165-L193 HydrophobicContact CB-CD1 4Å; Y168-L193 HydrophobicContact CD1-CD2 3.52Å; Y168-L193 HydrophobicContact CE1-CD2 4.1Å; Y168-L193 HydrophobicContact CG-CD2 3.83Å; A189-L193 WeakPolarHBondContact O-CB 3.48Å; A189-L193 PolarHBondContact O-N 3.5Å; E190-L193 WeakPolarHBondContact O-CA 3.46Å; E190-L193 WeakPolarHBondContact O-CB 3.44Å; E190-L193 PolarHBondContact O-N 3Å; E191-L193 VanDerWaalsContact C-N 3.35Å; L193-E195 PolarHBondContact O-N 2.85Å; L193-S196 PolarHBondContact O-N 2.93Å; L193-S196 VanDerWaalsContact O-N 3.11Å; L193-K197 WeakPolarHBondContact O-CB 3.31Å; L193-K197 PolarHBondContact O-N 3.37Å
194E97.2Very high96.7Very high90 Ų9058.1 Ų58.142%0.42127%0.269SS..Hα-helixtrans-60.5-44.6179.9-168.256.4-143.800112E190 S196 K197 R198E190-E194 PolarHBondContact O-N 3.46Å; E194-S196 VanDerWaalsContact C-N 3.33Å; E194-S196 PolarHBondContact O-N 3.47Å; E194-K197 WeakPolarHBondContact O-CB 3.23Å; E194-K197 PolarHBondContact O-N 3.03Å; E194-R198 PolarHBondContact O-N 3.45Å
195E98.1Very high97Very high86 Ų8657.8 Ų57.840%0.40227%0.266SS..Hα-helixtrans-58.8-44.6173.8-176.559.1-140.200112E191 L193 K197 R198 I199E191-E195 VanDerWaalsContact O-CB 3.32Å; E191-E195 WeakPolarHBondContact O-CB 3.1Å; E191-E195 PolarHBondContact O-N 3.2Å; L193-E195 PolarHBondContact O-N 2.85Å; E195-K197 VanDerWaalsContact C-N 3.3Å; E195-K197 PolarHBondContact O-N 3.47Å; E195-R198 VanDerWaalsContact CD-NH1 3.3Å; E195-R198 PolarHBondContact O-N 3.17Å; E195-R198 IonicContact OE1-NH1 3.81Å; E195-R198 PolarHBondContact OE1-NH1 2.95Å; E195-R198 IonicContact OE2-CZ 3.01Å; E195-R198 IonicContact OE2-NH1 2.73Å; E195-R198 PolarHBondContact OE2-NH1 2.87Å; E195-R198 IonicContact OE2-NH2 2.79Å; E195-I199 HydrophobicContact CG-CD1 4.07Å; E195-I199 VanDerWaalsContact O-CG1 3.29Å; E195-I199 WeakPolarHBondContact O-CG1 3.29Å; E195-I199 PolarHBondContact O-N 3.3Å; E195-I199 VanDerWaalsContact O-N 3.09Å; E195-I199 WeakPolarHBondContact OE1-CD1 3.49Å
196S98Very high97.3Very high7 Ų758.1 Ų58.15%0.04927%0.271CS..Hα-helixtrans-71.8-28.3-179.1-57.50000112.3R164 K192 L193 E194 A200R164-S196 WeakPolarHBondContact CG-OG 3.49Å; K192-S196 WeakPolarHBondContact O-CB 3.31Å; K192-S196 PolarHBondContact O-N 2.7Å; K192-S196 PolarHBondContact O-OG 3.36Å; L193-S196 PolarHBondContact O-N 2.93Å; L193-S196 VanDerWaalsContact O-N 3.11Å; E194-S196 VanDerWaalsContact C-N 3.33Å; E194-S196 PolarHBondContact O-N 3.47Å; S196-A200 WeakPolarHBondContact O-CB 3.31Å; S196-A200 PolarHBondContact O-N 3.22Å; S196-A200 VanDerWaalsContact O-N 3.13Å
197K98.3Very high97.4Very high21 Ų2158.1 Ų58.19%0.09127%0.271CS..Hα-helixtrans-66.7-52.9174.5178.3-176.8178-780109.2L29 D30 Y33 L161 L193 E194 E195 I199 A200 E201L29-K197 HydrophobicContact CD2-CD 4.14Å; L29-K197 HydrophobicContact CD2-CG 4.48Å; D30-K197 WeakPolarHBondContact OD2-CE 3.4Å; D30-K197 IonicContact OD2-NZ 3.76Å; D30-K197 PolarHBondContact OD2-NZ 3.5Å; Y33-K197 HydrophobicContact CD2-CG 4.17Å; L161-K197 HydrophobicContact CD1-CB 3.97Å; L161-K197 HydrophobicContact CD2-CB 4.41Å; L193-K197 WeakPolarHBondContact O-CB 3.31Å; L193-K197 PolarHBondContact O-N 3.37Å; E194-K197 WeakPolarHBondContact O-CB 3.23Å; E194-K197 PolarHBondContact O-N 3.03Å; E195-K197 VanDerWaalsContact C-N 3.3Å; E195-K197 PolarHBondContact O-N 3.47Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 PolarHBondContact O-N 3.41Å; K197-A200 PolarHBondContact O-N 3.05Å; K197-A200 VanDerWaalsContact O-N 3.1Å; K197-E201 VanDerWaalsContact CE-OE1 3.29Å; K197-E201 WeakPolarHBondContact CE-OE1 3.11Å; K197-E201 HydrophobicContact CG-CG 4.44Å; K197-E201 IonicContact NZ-OE1 3.13Å; K197-E201 PolarHBondContact NZ-OE1 3.24Å; K197-E201 IonicContact NZ-OE2 3.31Å; K197-E201 PolarHBondContact NZ-OE2 2.79Å; K197-E201 WeakPolarHBondContact O-CG 3.47Å; K197-E201 PolarHBondContact O-N 3.28Å
198R98.1Very high97.5Very high108 Ų10854 Ų5441%0.40826%0.258SS..Hα-helixtrans-55.5-46.3178.2-164.8-170.9-49.1113.17.7112.6E194 E195 E201 I202E194-R198 PolarHBondContact O-N 3.45Å; E195-R198 VanDerWaalsContact CD-NH1 3.3Å; E195-R198 PolarHBondContact O-N 3.17Å; E195-R198 IonicContact OE1-NH1 3.81Å; E195-R198 PolarHBondContact OE1-NH1 2.95Å; E195-R198 IonicContact OE2-CZ 3.01Å; E195-R198 IonicContact OE2-NH1 2.73Å; E195-R198 PolarHBondContact OE2-NH1 2.87Å; E195-R198 IonicContact OE2-NH2 2.79Å; R198-E201 PolarHBondContact O-N 3.27Å; R198-I202 HydrophobicContact CG-CD1 3.98Å; R198-I202 VanDerWaalsContact O-CG1 3.28Å; R198-I202 WeakPolarHBondContact O-CG1 3.33Å; R198-I202 PolarHBondContact O-N 2.98Å
199I98.4Very high97.5Very high53 Ų5355.5 Ų55.527%0.27227%0.266SS..Hα-helixtrans-62.9-43.9178.4-66.1167.4000111.1H157 E195 K197 A203H157-I199 HydrophobicContact CB-CG2 4.46Å; H157-I199 VanDerWaalsContact CE1-CG2 3.44Å; H157-I199 WeakPolarHBondContact CE1-CG2 3.29Å; H157-I199 VanDerWaalsContact ND1-CG2 3.34Å; H157-I199 WeakPolarHBondContact ND1-CG2 3.45Å; E195-I199 HydrophobicContact CG-CD1 4.07Å; E195-I199 VanDerWaalsContact O-CG1 3.29Å; E195-I199 WeakPolarHBondContact O-CG1 3.29Å; E195-I199 PolarHBondContact O-N 3.3Å; E195-I199 VanDerWaalsContact O-N 3.09Å; E195-I199 WeakPolarHBondContact OE1-CD1 3.49Å; K197-I199 VanDerWaalsContact C-N 3.34Å; K197-I199 PolarHBondContact O-N 3.41Å; I199-A203 WeakPolarHBondContact O-CB 3.48Å; I199-A203 PolarHBondContact O-N 3.34Å
200A98.4Very high97.4Very high0 Ų058.5 Ų58.50%028%0.282CS..Hα-helixtrans-65.1-40.8178.200000111.9Y33 H157 L161 S196 K197 A203 M204Y33-A200 HydrophobicContact CE2-CB 4.24Å; H157-A200 HydrophobicContact CB-CB 4Å; L161-A200 HydrophobicContact CD2-CB 4.11Å; S196-A200 WeakPolarHBondContact O-CB 3.31Å; S196-A200 PolarHBondContact O-N 3.22Å; S196-A200 VanDerWaalsContact O-N 3.13Å; K197-A200 PolarHBondContact O-N 3.05Å; K197-A200 VanDerWaalsContact O-N 3.1Å; A200-A203 PolarHBondContact O-N 2.66Å; A200-M204 WeakPolarHBondContact O-CB 3.5Å; A200-M204 VanDerWaalsContact O-CG 3.28Å; A200-M204 WeakPolarHBondContact O-CG 3.38Å; A200-M204 PolarHBondContact O-N 2.88Å
201E98.1Very high97.3Very high37 Ų3757.9 Ų57.917%0.17328%0.282CS..Hα-helixtrans-61.8-48.3176.2-75.1174.6159.200112.1Y33 K197 R198 A203 M204 F205Y33-E201 HydrophobicContact CD2-CG 3.51Å; Y33-E201 HydrophobicContact CE2-CG 4.08Å; K197-E201 VanDerWaalsContact CE-OE1 3.29Å; K197-E201 WeakPolarHBondContact CE-OE1 3.11Å; K197-E201 HydrophobicContact CG-CG 4.44Å; K197-E201 IonicContact NZ-OE1 3.13Å; K197-E201 PolarHBondContact NZ-OE1 3.24Å; K197-E201 IonicContact NZ-OE2 3.31Å; K197-E201 PolarHBondContact NZ-OE2 2.79Å; K197-E201 WeakPolarHBondContact O-CG 3.47Å; K197-E201 PolarHBondContact O-N 3.28Å; R198-E201 PolarHBondContact O-N 3.27Å; E201-A203 VanDerWaalsContact C-N 3.32Å; E201-A203 PolarHBondContact O-N 3.34Å; E201-M204 HydrophobicContact CG-CE 4.41Å; E201-M204 PolarHBondContact O-N 3.18Å; E201-F205 VanDerWaalsContact O-CB 3.24Å; E201-F205 WeakPolarHBondContact O-CB 3.35Å; E201-F205 PolarHBondContact O-N 2.97Å
202I98.2Very high97.2Very high89 Ų8957.6 Ų57.646%0.45629%0.287SS..Hα-helixtrans-59.5-45.7177.4-69166.5000110.2R198 M204 F205 N206R198-I202 HydrophobicContact CG-CD1 3.98Å; R198-I202 VanDerWaalsContact O-CG1 3.28Å; R198-I202 WeakPolarHBondContact O-CG1 3.33Å; R198-I202 PolarHBondContact O-N 2.98Å; I202-M204 PolarHBondContact O-N 3.43Å; I202-F205 PolarHBondContact O-N 3.01Å; I202-N206 WeakPolarHBondContact O-CB 3.22Å; I202-N206 PolarHBondContact O-N 3.43Å; I202-N206 PolarHBondContact O-ND2 3.35Å; I202-N206 PolarHBondContact O-OD1 3.06Å
203A98.3Very high97Very high14 Ų1458 Ų5812%0.11629%0.29CS..Hα-helixtrans-62.7-44.417900000112.1V154 I199 A200 E201 V207V154-A203 HydrophobicContact CG2-CB 3.85Å; V154-A203 WeakPolarHBondContact CG2-O 3.36Å; I199-A203 WeakPolarHBondContact O-CB 3.48Å; I199-A203 PolarHBondContact O-N 3.34Å; A200-A203 PolarHBondContact O-N 2.66Å; E201-A203 VanDerWaalsContact C-N 3.32Å; E201-A203 PolarHBondContact O-N 3.34Å; A203-V207 PolarHBondContact O-N 3.39Å
204M98.5Very high96.9Very high0 Ų059.8 Ų59.80%030%0.298CS..Hα-helixtrans-64-45176.4-72.5-173.8-61.100111.5Y33 L36 E37 V40 V154 R158 A200 E201 I202 N206 V207 I208Y33-M204 HydrophobicContact CD2-CE 3.83Å; Y33-M204 HydrophobicContact CE1-CE 4.25Å; Y33-M204 HydrophobicContact CE2-CE 3.38Å; Y33-M204 HydrophobicContact CG-CE 4.41Å; L36-M204 HydrophobicContact CB-CB 4.24Å; L36-M204 HydrophobicContact CB-CE 4.05Å; L36-M204 HydrophobicContact CB-SD 4.39Å; E37-M204 HydrophobicContact CB-SD 4.22Å; V40-M204 HydrophobicContact CG2-CB 3.82Å; V40-M204 HydrophobicContact CG2-CG 3.93Å; V154-M204 HydrophobicContact CG1-CG 3.48Å; V154-M204 VanDerWaalsContact CG1-CG 3.48Å; V154-M204 HydrophobicContact CG1-SD 4.48Å; V154-M204 HydrophobicContact CG2-CG 4.49Å; R158-M204 HydrophobicContact CG-SD 4.3Å; A200-M204 WeakPolarHBondContact O-CB 3.5Å; A200-M204 VanDerWaalsContact O-CG 3.28Å; A200-M204 WeakPolarHBondContact O-CG 3.38Å; A200-M204 PolarHBondContact O-N 2.88Å; E201-M204 HydrophobicContact CG-CE 4.41Å; E201-M204 PolarHBondContact O-N 3.18Å; I202-M204 PolarHBondContact O-N 3.43Å; M204-N206 PolarHBondContact O-N 3.26Å; M204-V207 PolarHBondContact O-N 2.98Å; M204-I208 WeakPolarHBondContact O-CG1 3.44Å; M204-I208 PolarHBondContact O-N 3.09Å
205F97.9Very high96.9Very high99 Ų9959.9 Ų59.943%0.43431%0.305SS..Hα-helixtrans-59.4-46.4178.8-178.4-93.7000111.1L36 E201 I202 V207 I208 D209L36-F205 HydrophobicContact CD2-CD2 4.38Å; E201-F205 VanDerWaalsContact O-CB 3.24Å; E201-F205 WeakPolarHBondContact O-CB 3.35Å; E201-F205 PolarHBondContact O-N 2.97Å; I202-F205 PolarHBondContact O-N 3.01Å; F205-V207 VanDerWaalsContact C-N 3.28Å; F205-V207 PolarHBondContact O-N 2.92Å; F205-I208 PolarHBondContact O-N 3.5Å; F205-D209 HydrophobicContact CD1-CB 4.13Å; F205-D209 HydrophobicContact CE1-CB 3.71Å; F205-D209 HydrophobicContact CZ-CB 3.98Å; F205-D209 VanDerWaalsContact O-CB 3.29Å; F205-D209 WeakPolarHBondContact O-CB 3.4Å; F205-D209 PolarHBondContact O-N 3.04Å
206N96.7Very high96.9Very high94 Ų9458.9 Ų58.950%0.50331%0.307SS..Hα-helixtrans-59-37179.3-68.8-10.7000113I202 M204 N210I202-N206 WeakPolarHBondContact O-CB 3.22Å; I202-N206 PolarHBondContact O-N 3.43Å; I202-N206 PolarHBondContact O-ND2 3.35Å; I202-N206 PolarHBondContact O-OD1 3.06Å; M204-N206 PolarHBondContact O-N 3.26Å; N206-N210 VanDerWaalsContact O-CB 3.31Å; N206-N210 WeakPolarHBondContact O-CB 3.34Å; N206-N210 PolarHBondContact O-N 3.34Å
207V96.9Very high96.9Very high7 Ų759.3 Ų59.34%0.04231%0.309CS..Hα-helixtrans-66.7-40.3175.8171.20000111.5D150 L151 V154 A203 M204 F205 Q214D150-V207 HydrophobicContact CB-CG2 3.78Å; L151-V207 HydrophobicContact CD2-CG1 3.85Å; L151-V207 HydrophobicContact CD2-CG2 4.49Å; V154-V207 HydrophobicContact CG2-CG2 3.85Å; A203-V207 PolarHBondContact O-N 3.39Å; M204-V207 PolarHBondContact O-N 2.98Å; F205-V207 VanDerWaalsContact C-N 3.28Å; F205-V207 PolarHBondContact O-N 2.92Å; V207-Q214 PolarHBondContact O-NE2 2.92Å
208I96.1Very high96.8Very high40 Ų4062.4 Ų62.421%0.20533%0.326CS..Hα-helixtrans-77.1-36.8-177.9-61.2-55.8000112K39 V40 M204 F205 N210K39-I208 HydrophobicContact CB-CD1 3.8Å; K39-I208 HydrophobicContact CB-CG1 4.2Å; K39-I208 HydrophobicContact CD-CG2 4.33Å; V40-I208 HydrophobicContact CG2-CD1 3.91Å; V40-I208 HydrophobicContact CG2-CG1 3.89Å; M204-I208 WeakPolarHBondContact O-CG1 3.44Å; M204-I208 PolarHBondContact O-N 3.09Å; F205-I208 PolarHBondContact O-N 3.5Å; I208-N210 VanDerWaalsContact C-N 3.26Å; I208-N210 PolarHBondContact O-N 3.4Å
209D96.5Very high96.8Very high105 Ų10561.6 Ų61.656%0.56133%0.329SS*.Hα-helixtrans-74.7-16.6179.8-161.157.5000112.3F205 D211F205-D209 HydrophobicContact CD1-CB 4.13Å; F205-D209 HydrophobicContact CE1-CB 3.71Å; F205-D209 HydrophobicContact CZ-CB 3.98Å; F205-D209 VanDerWaalsContact O-CB 3.29Å; F205-D209 WeakPolarHBondContact O-CB 3.4Å; F205-D209 PolarHBondContact O-N 3.04Å; D209-D211 PolarHBondContact O-N 3.43Å
210N93.8Very high96.8Very high65 Ų6559.9 Ų59.935%0.34832%0.323SS..THydrogen-bonded Turntrans-85.935174.8-161.331.4000113N206 I208 V212 E213N206-N210 VanDerWaalsContact O-CB 3.31Å; N206-N210 WeakPolarHBondContact O-CB 3.34Å; N206-N210 PolarHBondContact O-N 3.34Å; I208-N210 VanDerWaalsContact C-N 3.26Å; I208-N210 PolarHBondContact O-N 3.4Å; N210-V212 VanDerWaalsContact C-N 3.3Å; N210-V212 PolarHBondContact O-N 2.96Å; N210-E213 PolarHBondContact ND2-OE2 2.8Å; N210-E213 PolarHBondContact O-N 3.38Å
211D92.7Very high96.9Very high87 Ų8761.5 Ų61.547%0.46533%0.33SS..Hα-helixtrans-67.4-30.1-178.965.7-9.3000112.5D209 E213 Q214 V215D209-D211 PolarHBondContact O-N 3.43Å; D211-E213 VanDerWaalsContact C-N 3.29Å; D211-E213 PolarHBondContact O-N 2.86Å; D211-Q214 WeakPolarHBondContact O-CB 3.41Å; D211-Q214 PolarHBondContact O-N 3.3Å; D211-Q214 VanDerWaalsContact O-N 3.14Å; D211-V215 WeakPolarHBondContact O-CB 3.4Å; D211-V215 VanDerWaalsContact O-CG2 3.31Å; D211-V215 WeakPolarHBondContact O-CG2 3.37Å; D211-V215 PolarHBondContact O-N 3.1Å
212V95.6Very high96.9Very high101 Ų10163.2 Ų63.261%0.61234%0.343SS*.Hα-helixtrans-56.2-43175.3178.50000111.4N210 S216N210-V212 VanDerWaalsContact C-N 3.3Å; N210-V212 PolarHBondContact O-N 2.96Å; V212-S216 WeakPolarHBondContact O-CB 3.46Å; V212-S216 PolarHBondContact O-N 3.19Å; V212-S216 PolarHBondContact O-OG 3.31Å
213E94.6Very high96.9Very high101 Ų10164.3 Ų64.347%0.47235%0.346SS..Hα-helixtrans-67.6-42.3177.4-168.1178.1174.100111.1N210 D211 V215 S216 Q217N210-E213 PolarHBondContact ND2-OE2 2.8Å; N210-E213 PolarHBondContact O-N 3.38Å; D211-E213 VanDerWaalsContact C-N 3.29Å; D211-E213 PolarHBondContact O-N 2.86Å; E213-V215 PolarHBondContact O-N 3.13Å; E213-S216 WeakPolarHBondContact O-CB 3.29Å; E213-S216 PolarHBondContact O-N 3.33Å; E213-S216 VanDerWaalsContact O-N 3.16Å; E213-Q217 VanDerWaalsContact O-CG 3.29Å; E213-Q217 WeakPolarHBondContact O-CG 3.46Å; E213-Q217 PolarHBondContact O-N 3.09Å
214Q94.4Very high96.9Very high51 Ų5164 Ų6424%0.23834%0.343CS..Hα-helixtrans-63-43.8178.1-61.3169.116.200111.7L146 V207 D211 S216 Q217 L218L146-Q214 HydrophobicContact CD2-CG 4.23Å; V207-Q214 PolarHBondContact O-NE2 2.92Å; D211-Q214 WeakPolarHBondContact O-CB 3.41Å; D211-Q214 PolarHBondContact O-N 3.3Å; D211-Q214 VanDerWaalsContact O-N 3.14Å; Q214-S216 VanDerWaalsContact C-N 3.31Å; Q214-S216 PolarHBondContact O-N 3.11Å; Q214-Q217 PolarHBondContact O-N 2.96Å; Q214-L218 PolarHBondContact O-N 3.41Å
215V97.6Very high96.9Very high93 Ų9365.3 Ų65.356%0.56435%0.349SS*.Hα-helixtrans-63.8-38.3174.3173.50000110.7D211 E213 L218 L219D211-V215 WeakPolarHBondContact O-CB 3.4Å; D211-V215 VanDerWaalsContact O-CG2 3.31Å; D211-V215 WeakPolarHBondContact O-CG2 3.37Å; D211-V215 PolarHBondContact O-N 3.1Å; E213-V215 PolarHBondContact O-N 3.13Å; V215-L218 PolarHBondContact O-N 3.21Å; V215-L219 WeakPolarHBondContact O-CB 3.44Å; V215-L219 PolarHBondContact O-N 3.28Å
216S97.8Very high97Very high64 Ų6463.8 Ų63.845%0.44835%0.348SS..Hα-helixtrans-65.6-38.7176.5-59.50000112.2V212 E213 Q214 L219 A220V212-S216 WeakPolarHBondContact O-CB 3.46Å; V212-S216 PolarHBondContact O-N 3.19Å; V212-S216 PolarHBondContact O-OG 3.31Å; E213-S216 WeakPolarHBondContact O-CB 3.29Å; E213-S216 PolarHBondContact O-N 3.33Å; E213-S216 VanDerWaalsContact O-N 3.16Å; Q214-S216 VanDerWaalsContact C-N 3.31Å; Q214-S216 PolarHBondContact O-N 3.11Å; S216-L219 WeakPolarHBondContact O-CB 3.45Å; S216-L219 PolarHBondContact O-N 2.96Å; S216-A220 PolarHBondContact O-N 3.08Å
217Q97Very high97.1Very high16 Ų1662.7 Ų62.78%0.07534%0.343CS..Hα-helixtrans-63.9-43.5173.4-67.3164.11000111F139 P142 E213 Q214 L219 A220 F221F139-Q217 HydrophobicContact CD2-CB 4.08Å; F139-Q217 WeakPolarHBondContact CD2-O 3.27Å; P142-Q217 HydrophobicContact CB-CG 3.87Å; E213-Q217 VanDerWaalsContact O-CG 3.29Å; E213-Q217 WeakPolarHBondContact O-CG 3.46Å; E213-Q217 PolarHBondContact O-N 3.09Å; Q214-Q217 PolarHBondContact O-N 2.96Å; Q217-L219 VanDerWaalsContact C-N 3.34Å; Q217-L219 PolarHBondContact O-N 3.2Å; Q217-A220 WeakPolarHBondContact O-CB 3.41Å; Q217-A220 PolarHBondContact O-N 2.89Å; Q217-F221 PolarHBondContact O-N 2.75Å; Q217-F221 VanDerWaalsContact O-N 3.12Å
218L97.8Very high97.2Very high86 Ų8663.7 Ų63.745%0.4535%0.346SS..Hα-helixtrans-63.5-39.6175.1-17861000112F139 Q214 V215 A220 F221 V222F139-L218 HydrophobicContact CE2-CB 4.5Å; F139-L218 HydrophobicContact CE2-CD1 4.34Å; F139-L218 HydrophobicContact CZ-CD1 4.36Å; Q214-L218 PolarHBondContact O-N 3.41Å; V215-L218 PolarHBondContact O-N 3.21Å; L218-A220 VanDerWaalsContact C-N 3.34Å; L218-A220 PolarHBondContact O-N 3.03Å; L218-F221 HydrophobicContact CD1-CD1 4.4Å; L218-F221 WeakPolarHBondContact O-CB 3.34Å; L218-F221 PolarHBondContact O-N 2.78Å; L218-V222 WeakPolarHBondContact O-CG2 3.47Å; L218-V222 PolarHBondContact O-N 2.96Å; L218-V222 VanDerWaalsContact O-N 3.09Å
219L98.4Very high97.3Very high91 Ų9167 Ų6748%0.47636%0.36SS..Hα-helixtrans-59-46.1173175.862.6000110.7V215 S216 Q217 F221 V222 E223V215-L219 WeakPolarHBondContact O-CB 3.44Å; V215-L219 PolarHBondContact O-N 3.28Å; S216-L219 WeakPolarHBondContact O-CB 3.45Å; S216-L219 PolarHBondContact O-N 2.96Å; Q217-L219 VanDerWaalsContact C-N 3.34Å; Q217-L219 PolarHBondContact O-N 3.2Å; L219-F221 VanDerWaalsContact C-N 3.25Å; L219-F221 PolarHBondContact O-N 2.82Å; L219-V222 PolarHBondContact O-N 2.99Å; L219-E223 HydrophobicContact CD1-CG 3.92Å; L219-E223 HydrophobicContact CG-CG 4.17Å; L219-E223 WeakPolarHBondContact O-CG 3.33Å; L219-E223 PolarHBondContact O-N 3.47Å
220A98.4Very high97.4Very high17 Ų1769 Ų6914%0.1436%0.36CS..Hα-helixtrans-59.6-35.517800000112.6N138 S216 Q217 L218 A224N138-A220 HydrophobicContact CB-CB 4.13Å; S216-A220 PolarHBondContact O-N 3.08Å; Q217-A220 WeakPolarHBondContact O-CB 3.41Å; Q217-A220 PolarHBondContact O-N 2.89Å; L218-A220 VanDerWaalsContact C-N 3.34Å; L218-A220 PolarHBondContact O-N 3.03Å; A220-A224 WeakPolarHBondContact O-CB 3.45Å; A220-A224 PolarHBondContact O-N 3Å; A220-A224 VanDerWaalsContact O-N 3.11Å
221F98.6Very high97.6Very high35 Ų3569.2 Ų69.215%0.15436%0.359CS..Hα-helixtrans-63.3-47.6171.7174.2-113.3000111.9T54 F57 V135 F139 Q217 L218 L219 A224 Q225T54-F221 HydrophobicContact CG2-CD2 4.42Å; T54-F221 HydrophobicContact CG2-CE2 3.94Å; T54-F221 HydrophobicContact CG2-CZ 4.49Å; F57-F221 HydrophobicContact CD1-CZ 4.3Å; F57-F221 HydrophobicContact CE1-CZ 4.18Å; V135-F221 HydrophobicContact CB-CD2 4.31Å; V135-F221 HydrophobicContact CG1-CD2 3.59Å; V135-F221 HydrophobicContact CG1-CE2 3.87Å; V135-F221 HydrophobicContact CG2-CD2 3.73Å; V135-F221 HydrophobicContact CG2-CE2 4.03Å; F139-F221 HydrophobicContact CB-CB 4.13Å; F139-F221 HydrophobicContact CD1-CB 3.88Å; F139-F221 AromaticContact CD1-CD2 3.93Å; F139-F221 HydrophobicContact CD1-CD2 3.93Å; F139-F221 AromaticContact CD1-CG 3.99Å; F139-F221 HydrophobicContact CD1-CG 3.99Å; F139-F221 HydrophobicContact CD2-CB 3.96Å; F139-F221 HydrophobicContact CE1-CB 4.2Å; F139-F221 HydrophobicContact CE1-CD2 4.25Å; F139-F221 HydrophobicContact CE1-CG 4.07Å; F139-F221 HydrophobicContact CE2-CB 4.26Å; F139-F221 HydrophobicContact CG-CB 3.74Å; F139-F221 HydrophobicContact CG-CG 4.36Å; F139-F221 HydrophobicContact CZ-CB 4.36Å; Q217-F221 PolarHBondContact O-N 2.75Å; Q217-F221 VanDerWaalsContact O-N 3.12Å; L218-F221 HydrophobicContact CD1-CD1 4.4Å; L218-F221 WeakPolarHBondContact O-CB 3.34Å; L218-F221 PolarHBondContact O-N 2.78Å; L219-F221 VanDerWaalsContact C-N 3.25Å; L219-F221 PolarHBondContact O-N 2.82Å; F221-A224 WeakPolarHBondContact O-CB 3.29Å; F221-A224 PolarHBondContact O-N 3.27Å; F221-Q225 HydrophobicContact CE2-CG 4.42Å; F221-Q225 HydrophobicContact CZ-CG 4.27Å; F221-Q225 WeakPolarHBondContact O-CG 3.28Å; F221-Q225 PolarHBondContact O-N 3.48Å
222V98.7Very high97.9Very high73 Ų7365.6 Ų65.644%0.44234%0.34SS..Hα-helixtrans-65.7-42.3-180174.90000111.6L218 L219 A224 Q225 V226L218-V222 WeakPolarHBondContact O-CG2 3.47Å; L218-V222 PolarHBondContact O-N 2.96Å; L218-V222 VanDerWaalsContact O-N 3.09Å; L219-V222 PolarHBondContact O-N 2.99Å; V222-A224 VanDerWaalsContact C-N 3.29Å; V222-A224 PolarHBondContact O-N 3.4Å; V222-Q225 WeakPolarHBondContact O-CB 3.28Å; V222-Q225 PolarHBondContact O-N 3.46Å; V222-Q225 VanDerWaalsContact O-N 3.12Å; V222-V226 HydrophobicContact CG1-CG2 4.43Å; V222-V226 WeakPolarHBondContact O-CG2 3.4Å; V222-V226 PolarHBondContact O-N 2.95Å
223E98.6Very high98.1Very high112 Ų11263.7 Ų63.752%0.52333%0.331SS..Hα-helixtrans-61.2-39.5176.5-73.1-177.6144.800111.7L219 Q225 V226 D227L219-E223 HydrophobicContact CD1-CG 3.92Å; L219-E223 HydrophobicContact CG-CG 4.17Å; L219-E223 WeakPolarHBondContact O-CG 3.33Å; L219-E223 PolarHBondContact O-N 3.47Å; E223-Q225 VanDerWaalsContact C-N 3.33Å; E223-Q225 PolarHBondContact O-N 3.45Å; E223-V226 PolarHBondContact O-N 3.39Å; E223-D227 WeakPolarHBondContact O-CB 3.47Å; E223-D227 PolarHBondContact O-N 3.44Å
224A98.7Very high98.3Very high7 Ų764.4 Ų64.46%0.05833%0.334CS..Hα-helixtrans-59.4-43.4173.500000111.8L131 H134 V135 A220 F221 V222 D227 F228L131-A224 HydrophobicContact CD1-CB 3.73Å; L131-A224 WeakPolarHBondContact CD1-O 3.32Å; H134-A224 HydrophobicContact CB-CB 4.44Å; H134-A224 VanDerWaalsContact ND1-CB 3.33Å; H134-A224 WeakPolarHBondContact ND1-CB 3.36Å; V135-A224 HydrophobicContact CG2-CB 3.81Å; A220-A224 WeakPolarHBondContact O-CB 3.45Å; A220-A224 PolarHBondContact O-N 3Å; A220-A224 VanDerWaalsContact O-N 3.11Å; F221-A224 WeakPolarHBondContact O-CB 3.29Å; F221-A224 PolarHBondContact O-N 3.27Å; V222-A224 VanDerWaalsContact C-N 3.29Å; V222-A224 PolarHBondContact O-N 3.4Å; A224-D227 PolarHBondContact O-N 3.22Å; A224-F228 WeakPolarHBondContact O-CB 3.24Å; A224-F228 PolarHBondContact O-N 3.11Å
225Q98.6Very high98.5Very high27 Ų2763 Ų6313%0.12633%0.329CS..Hα-helixtrans-63.9-44.9175.9-63.2-59.7-46.100111.7F221 V222 E223 D227 F228 H229F221-Q225 HydrophobicContact CE2-CG 4.42Å; F221-Q225 HydrophobicContact CZ-CG 4.27Å; F221-Q225 WeakPolarHBondContact O-CG 3.28Å; F221-Q225 PolarHBondContact O-N 3.48Å; V222-Q225 WeakPolarHBondContact O-CB 3.28Å; V222-Q225 PolarHBondContact O-N 3.46Å; V222-Q225 VanDerWaalsContact O-N 3.12Å; E223-Q225 VanDerWaalsContact C-N 3.33Å; E223-Q225 PolarHBondContact O-N 3.45Å; Q225-D227 VanDerWaalsContact C-N 3.3Å; Q225-D227 PolarHBondContact O-N 2.96Å; Q225-F228 PolarHBondContact O-N 2.85Å; Q225-H229 PolarHBondContact O-CD2 3.49Å; Q225-H229 PolarHBondContact O-N 3.4Å
226V98.8Very high98.5Very high68 Ų6862 Ų6241%0.41232%0.32SS..Hα-helixtrans-58.8-44.7178168.30000110.6V222 E223 R230V222-V226 HydrophobicContact CG1-CG2 4.43Å; V222-V226 WeakPolarHBondContact O-CG2 3.4Å; V222-V226 PolarHBondContact O-N 2.95Å; E223-V226 PolarHBondContact O-N 3.39Å; V226-R230 VanDerWaalsContact CG1-NH2 3.32Å; V226-R230 WeakPolarHBondContact O-CB 3.48Å; V226-R230 PolarHBondContact O-N 2.63Å
227D98.7Very high98.6Very high71 Ų7164.3 Ų64.338%0.3832%0.324SS..Hα-helixtrans-65.9-46.2178.8-170.557.6000112.4E223 A224 Q225 H229 R230 Q231E223-D227 WeakPolarHBondContact O-CB 3.47Å; E223-D227 PolarHBondContact O-N 3.44Å; A224-D227 PolarHBondContact O-N 3.22Å; Q225-D227 VanDerWaalsContact C-N 3.3Å; Q225-D227 PolarHBondContact O-N 2.96Å; D227-H229 VanDerWaalsContact C-N 3.35Å; D227-H229 PolarHBondContact O-N 3.4Å; D227-R230 PolarHBondContact O-N 3.23Å; D227-R230 IonicContact OD1-NH1 2.67Å; D227-Q231 WeakPolarHBondContact O-CG 3.44Å; D227-Q231 PolarHBondContact O-N 3.31Å; D227-Q231 PolarHBondContact OD2-NE2 2.98Å
228F98.7Very high98.6Very high27 Ų2767.5 Ų67.512%0.11834%0.341CS..Hα-helixtrans-53.1-49.9173.5166.9-100.3000112.3I127 K128 L131 A224 Q225 Q231 T232I127-F228 HydrophobicContact CG2-CD2 3.81Å; I127-F228 HydrophobicContact CG2-CE2 4.35Å; K128-F228 HydrophobicContact CB-CE2 3.87Å; K128-F228 HydrophobicContact CD-CE2 4.47Å; K128-F228 HydrophobicContact CG-CE2 4.13Å; L131-F228 HydrophobicContact CB-CB 4.17Å; L131-F228 HydrophobicContact CB-CD2 4.02Å; L131-F228 HydrophobicContact CB-CG 4.33Å; L131-F228 HydrophobicContact CD1-CB 3.94Å; L131-F228 HydrophobicContact CD2-CB 3.99Å; L131-F228 HydrophobicContact CD2-CD1 4.09Å; L131-F228 HydrophobicContact CD2-CD2 3.83Å; L131-F228 HydrophobicContact CD2-CE2 4.4Å; L131-F228 HydrophobicContact CD2-CG 3.69Å; L131-F228 HydrophobicContact CG-CB 4.24Å; L131-F228 HydrophobicContact CG-CD2 4.47Å; L131-F228 HydrophobicContact CG-CG 4.4Å; A224-F228 WeakPolarHBondContact O-CB 3.24Å; A224-F228 PolarHBondContact O-N 3.11Å; Q225-F228 PolarHBondContact O-N 2.85Å; F228-Q231 PolarHBondContact O-N 2.88Å; F228-T232 HydrophobicContact CD2-CG2 4.1Å; F228-T232 HydrophobicContact CE1-CG2 4.44Å; F228-T232 HydrophobicContact CE2-CG2 3.65Å; F228-T232 HydrophobicContact CZ-CG2 3.84Å; F228-T232 WeakPolarHBondContact O-CB 3.42Å; F228-T232 WeakPolarHBondContact O-CG2 3.38Å; F228-T232 PolarHBondContact O-N 3.3Å; F228-T232 PolarHBondContact O-OG1 3.09Å
229H98.7Very high98.7Very high109 Ų10964 Ų6451%0.50532%0.323SS..Hα-helixtrans-66.3-38.4-180-75.9-59.1000112.5Q225 D227 T232 C233Q225-H229 PolarHBondContact O-CD2 3.49Å; Q225-H229 PolarHBondContact O-N 3.4Å; D227-H229 VanDerWaalsContact C-N 3.35Å; D227-H229 PolarHBondContact O-N 3.4Å; H229-T232 WeakPolarHBondContact CA-OG1 3.49Å; H229-T232 PolarHBondContact O-OG1 3.31Å; H229-C233 WeakPolarHBondContact O-CB 3.38Å; H229-C233 PolarHBondContact O-N 3.1Å
230R98.8Very high98.7Very high149 Ų14962.1 Ų62.156%0.56232%0.317SS*.Hα-helixtrans-61.2-50.1175.4-175.5-178-65.1109.60.5111.4V226 D227 C233 Q234V226-R230 VanDerWaalsContact CG1-NH2 3.32Å; V226-R230 WeakPolarHBondContact O-CB 3.48Å; V226-R230 PolarHBondContact O-N 2.63Å; D227-R230 PolarHBondContact O-N 3.23Å; D227-R230 IonicContact OD1-NH1 2.67Å; R230-C233 PolarHBondContact O-N 3Å; R230-Q234 PolarHBondContact O-N 3.49Å; R230-Q234 VanDerWaalsContact O-N 3.1Å
231Q98.8Very high98.7Very high69 Ų6967.4 Ų67.432%0.32234%0.339SS..Hα-helixtrans-64.7-45.5-178.9-68.5-170.361.200111.9I127 D227 F228 C233 Q234 V235I127-Q231 HydrophobicContact CD1-CB 3.9Å; I127-Q231 HydrophobicContact CG1-CB 4.35Å; I127-Q231 HydrophobicContact CG2-CB 3.85Å; D227-Q231 WeakPolarHBondContact O-CG 3.44Å; D227-Q231 PolarHBondContact O-N 3.31Å; D227-Q231 PolarHBondContact OD2-NE2 2.98Å; F228-Q231 PolarHBondContact O-N 2.88Å; Q231-C233 PolarHBondContact O-N 2.67Å; Q231-Q234 WeakPolarHBondContact O-CB 3.5Å; Q231-Q234 PolarHBondContact O-N 3.49Å; Q231-V235 WeakPolarHBondContact O-CG2 3.4Å; Q231-V235 PolarHBondContact O-N 3.22Å
232T98.6Very high98.6Very high11 Ų1171.3 Ų71.37%0.06736%0.356CS..Hα-helixtrans-64.9-37.5177.851.10000112.6M124 I127 F228 H229 Q234 V235 L236M124-T232 HydrophobicContact CB-CG2 4.38Å; M124-T232 HydrophobicContact CE-CG2 4.21Å; M124-T232 HydrophobicContact CG-CG2 4.19Å; I127-T232 HydrophobicContact CD1-CG2 4.47Å; I127-T232 HydrophobicContact CG2-CG2 4.12Å; F228-T232 HydrophobicContact CD2-CG2 4.1Å; F228-T232 HydrophobicContact CE1-CG2 4.44Å; F228-T232 HydrophobicContact CE2-CG2 3.65Å; F228-T232 HydrophobicContact CZ-CG2 3.84Å; F228-T232 WeakPolarHBondContact O-CB 3.42Å; F228-T232 WeakPolarHBondContact O-CG2 3.38Å; F228-T232 PolarHBondContact O-N 3.3Å; F228-T232 PolarHBondContact O-OG1 3.09Å; H229-T232 WeakPolarHBondContact CA-OG1 3.49Å; H229-T232 PolarHBondContact O-OG1 3.31Å; T232-Q234 VanDerWaalsContact C-N 3.35Å; T232-Q234 PolarHBondContact O-N 3.34Å; T232-V235 PolarHBondContact O-N 3.42Å; T232-L236 WeakPolarHBondContact O-CG 3.4Å; T232-L236 PolarHBondContact O-N 3.37Å
233C98.7Very high98.6Very high61 Ų6170.3 Ų70.341%0.41235%0.348SS..Hα-helixtrans-59.2-47.1172.7-168.90000110.9H229 R230 Q231 V235 L236 E237H229-C233 WeakPolarHBondContact O-CB 3.38Å; H229-C233 PolarHBondContact O-N 3.1Å; R230-C233 PolarHBondContact O-N 3Å; Q231-C233 PolarHBondContact O-N 2.67Å; C233-V235 VanDerWaalsContact C-N 3.33Å; C233-V235 PolarHBondContact O-N 2.98Å; C233-L236 PolarHBondContact O-N 3.25Å; C233-E237 WeakPolarHBondContact O-CB 3.39Å; C233-E237 WeakPolarHBondContact O-CG 3.38Å; C233-E237 PolarHBondContact O-N 3.04Å
234Q98.8Very high98.6Very high115 Ų11571 Ų7154%0.53735%0.349SS..Hα-helixtrans-60.1-41.6177.9-172.6179.517.800112.5R230 Q231 T232 N238R230-Q234 PolarHBondContact O-N 3.49Å; R230-Q234 VanDerWaalsContact O-N 3.1Å; Q231-Q234 WeakPolarHBondContact O-CB 3.5Å; Q231-Q234 PolarHBondContact O-N 3.49Å; T232-Q234 VanDerWaalsContact C-N 3.35Å; T232-Q234 PolarHBondContact O-N 3.34Å; Q234-N238 WeakPolarHBondContact O-CB 3.32Å; Q234-N238 PolarHBondContact O-N 3.09Å; Q234-N238 VanDerWaalsContact O-N 3.1Å; Q234-N238 PolarHBondContact O-ND2 2.74Å; Q234-N238 VanDerWaalsContact O-ND2 3.14Å
235V98.8Very high98.5Very high22 Ų2276.7 Ų76.713%0.13337%0.373CS..Hα-helixtrans-61.6-45.4175.8172.70000111.1A120 I123 M124 I127 Q231 T232 C233 N238 L239A120-V235 HydrophobicContact CB-CG1 3.87Å; A120-V235 WeakPolarHBondContact O-CG1 3.35Å; I123-V235 HydrophobicContact CG2-CG2 3.83Å; M124-V235 HydrophobicContact CG-CB 4.29Å; M124-V235 HydrophobicContact CG-CG1 3.91Å; I127-V235 HydrophobicContact CD1-CG2 3.79Å; Q231-V235 WeakPolarHBondContact O-CG2 3.4Å; Q231-V235 PolarHBondContact O-N 3.22Å; T232-V235 PolarHBondContact O-N 3.42Å; C233-V235 VanDerWaalsContact C-N 3.33Å; C233-V235 PolarHBondContact O-N 2.98Å; V235-N238 PolarHBondContact O-N 3.14Å; V235-L239 WeakPolarHBondContact O-CB 3.48Å; V235-L239 PolarHBondContact O-N 2.78Å
236L98.8Very high98.2Very high71 Ų7176.8 Ų76.837%0.37237%0.373SS..Hα-helixtrans-70.6-35-179.1-71.4173.1000113F121 M124 T232 C233 L239 S240F121-L236 HydrophobicContact CE2-CD2 4.13Å; M124-L236 HydrophobicContact CE-CD1 4.1Å; M124-L236 HydrophobicContact CE-CD2 4.48Å; M124-L236 HydrophobicContact CE-CG 4.35Å; M124-L236 HydrophobicContact SD-CD1 4.23Å; M124-L236 HydrophobicContact SD-CD2 3.68Å; M124-L236 HydrophobicContact SD-CG 3.82Å; T232-L236 WeakPolarHBondContact O-CG 3.4Å; T232-L236 PolarHBondContact O-N 3.37Å; C233-L236 PolarHBondContact O-N 3.25Å; L236-L239 PolarHBondContact O-N 3.38Å; L236-S240 VanDerWaalsContact O-CB 3.27Å; L236-S240 WeakPolarHBondContact O-CB 3.32Å; L236-S240 PolarHBondContact O-N 3.35Å
237E98.7Very high98.1Very high114 Ų11478 Ų7853%0.53338%0.38SS..Hα-helixtrans-62.9-49.3173.6-75.7175.4155.300110.8C233 L239 S240 E241C233-E237 WeakPolarHBondContact O-CB 3.39Å; C233-E237 WeakPolarHBondContact O-CG 3.38Å; C233-E237 PolarHBondContact O-N 3.04Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 2.9Å; E237-S240 WeakPolarHBondContact O-CB 3.41Å; E237-S240 PolarHBondContact O-N 3.31Å; E237-S240 VanDerWaalsContact O-N 3.13Å; E237-E241 PolarHBondContact O-N 3.42Å
238N98.7Very high97.8Very high82 Ų8280.9 Ų80.944%0.43939%0.392SS..Hα-helixtrans-59.1-42.1175.9-70.7-27.4000111.9Q234 V235 K242Q234-N238 WeakPolarHBondContact O-CB 3.32Å; Q234-N238 PolarHBondContact O-N 3.09Å; Q234-N238 VanDerWaalsContact O-N 3.1Å; Q234-N238 PolarHBondContact O-ND2 2.74Å; Q234-N238 VanDerWaalsContact O-ND2 3.14Å; V235-N238 PolarHBondContact O-N 3.14Å; N238-K242 WeakPolarHBondContact O-CG 3.46Å; N238-K242 PolarHBondContact O-N 3.38Å; N238-K242 VanDerWaalsContact O-N 3.13Å
239L98.6Very high97.5Very high13 Ų1383.6 Ų83.67%0.06841%0.405CS..Hα-helixtrans-63.5-45.3174.9177.263.3000111.3D116 A117 A120 F121 V235 L236 E237 E241 K242 L243D116-L239 HydrophobicContact CB-CD1 4.18Å; A117-L239 HydrophobicContact CB-CD1 4.26Å; A117-L239 HydrophobicContact CB-CD2 4.17Å; A120-L239 HydrophobicContact CB-CB 4.19Å; A120-L239 HydrophobicContact CB-CD1 4.25Å; A120-L239 HydrophobicContact CB-CD2 3.87Å; A120-L239 HydrophobicContact CB-CG 4.32Å; F121-L239 HydrophobicContact CD2-CD2 4.42Å; F121-L239 HydrophobicContact CE2-CD2 4.14Å; V235-L239 WeakPolarHBondContact O-CB 3.48Å; V235-L239 PolarHBondContact O-N 2.78Å; L236-L239 PolarHBondContact O-N 3.38Å; E237-L239 VanDerWaalsContact C-N 3.31Å; E237-L239 PolarHBondContact O-N 2.9Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-E241 PolarHBondContact O-N 3.26Å; L239-K242 PolarHBondContact O-N 3.09Å; L239-L243 HydrophobicContact CD1-CD1 3.97Å; L239-L243 HydrophobicContact CD1-CD2 4.35Å; L239-L243 HydrophobicContact CD1-CG 3.89Å; L239-L243 HydrophobicContact CD2-CD1 4.41Å; L239-L243 HydrophobicContact CG-CD1 3.9Å; L239-L243 HydrophobicContact CG-CG 4.19Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 WeakPolarHBondContact O-CG 3.44Å; L239-L243 PolarHBondContact O-N 2.84Å
240S98.6Very high97.1Very high51 Ų5179.7 Ų79.736%0.35739%0.391SS..Hα-helixtrans-57.7-43.5178.9-174.80000111.6L236 E237 L243 K244L236-S240 VanDerWaalsContact O-CB 3.27Å; L236-S240 WeakPolarHBondContact O-CB 3.32Å; L236-S240 PolarHBondContact O-N 3.35Å; E237-S240 WeakPolarHBondContact O-CB 3.41Å; E237-S240 PolarHBondContact O-N 3.31Å; E237-S240 VanDerWaalsContact O-N 3.13Å; S240-L243 PolarHBondContact O-N 2.93Å; S240-K244 WeakPolarHBondContact O-CB 3.45Å; S240-K244 VanDerWaalsContact O-CG 3.23Å; S240-K244 WeakPolarHBondContact O-CG 3.5Å; S240-K244 PolarHBondContact O-N 3.02Å
241E98.5Very high96.8Very high129 Ų12976.9 Ų76.960%0.60340%0.395SS*.Hα-helixtrans-63.1-46.2175.2-70.1-176.317700112.7E237 L239 L243 K244 K245E237-E241 PolarHBondContact O-N 3.42Å; L239-E241 VanDerWaalsContact C-N 3.31Å; L239-E241 PolarHBondContact O-N 3.26Å; E241-L243 PolarHBondContact O-N 3.22Å; E241-K244 PolarHBondContact O-N 2.86Å; E241-K245 PolarHBondContact O-N 3.35Å; E241-K245 VanDerWaalsContact O-N 3.09Å
242K97.5Very high96.3Very high116 Ų11678.9 Ų78.950%0.50442%0.415SS..Hα-helixtrans-58.6-47.2175.7-74.3179.3178.4-174.10111.8D116 N238 L239 K245 Q246D116-K242 IonicContact OD1-NZ 4Å; N238-K242 WeakPolarHBondContact O-CG 3.46Å; N238-K242 PolarHBondContact O-N 3.38Å; N238-K242 VanDerWaalsContact O-N 3.13Å; L239-K242 PolarHBondContact O-N 3.09Å; K242-K245 WeakPolarHBondContact O-CB 3.49Å; K242-K245 PolarHBondContact O-N 2.93Å; K242-Q246 WeakPolarHBondContact O-CG 3.2Å; K242-Q246 PolarHBondContact O-N 2.92Å
243L98.2Very high95.6Very high53 Ų5385.2 Ų85.228%0.27744%0.437SS..Hα-helixtrans-67.4-38.1-179.6-67.5-178.2000111.9A113 L239 S240 E241 K245 Q246 V247A113-L243 HydrophobicContact CB-CD2 3.68Å; L239-L243 HydrophobicContact CD1-CD1 3.97Å; L239-L243 HydrophobicContact CD1-CD2 4.35Å; L239-L243 HydrophobicContact CD1-CG 3.89Å; L239-L243 HydrophobicContact CD2-CD1 4.41Å; L239-L243 HydrophobicContact CG-CD1 3.9Å; L239-L243 HydrophobicContact CG-CG 4.19Å; L239-L243 WeakPolarHBondContact O-CB 3.47Å; L239-L243 WeakPolarHBondContact O-CG 3.44Å; L239-L243 PolarHBondContact O-N 2.84Å; S240-L243 PolarHBondContact O-N 2.93Å; E241-L243 PolarHBondContact O-N 3.22Å; L243-K245 VanDerWaalsContact C-N 3.29Å; L243-K245 PolarHBondContact O-N 2.86Å; L243-Q246 PolarHBondContact O-N 3.18Å; L243-V247 VanDerWaalsContact O-CG2 3.3Å; L243-V247 WeakPolarHBondContact O-CG2 3.1Å; L243-V247 PolarHBondContact O-N 3.41Å
244K98.1Very high94.7Very high125 Ų12587.9 Ų87.954%0.54345%0.454SS..Hα-helixtrans-57.3-43.8172.6-77.9168.8-174.8170.80111.4S240 E241 V247 Q248S240-K244 WeakPolarHBondContact O-CB 3.45Å; S240-K244 VanDerWaalsContact O-CG 3.23Å; S240-K244 WeakPolarHBondContact O-CG 3.5Å; S240-K244 PolarHBondContact O-N 3.02Å; E241-K244 PolarHBondContact O-N 2.86Å; K244-V247 PolarHBondContact O-N 3.25Å; K244-Q248 WeakPolarHBondContact O-CG 3.44Å; K244-Q248 PolarHBondContact O-N 3Å
245K95.9Very high93.8Very high128 Ų12894.1 Ų94.156%0.55747%0.472SS*.Hα-helixtrans-63.1-45.3175.6-172.6-178.3177.9-1700111.6E241 K242 L243 V247 Q248 E249E241-K245 PolarHBondContact O-N 3.35Å; E241-K245 VanDerWaalsContact O-N 3.09Å; K242-K245 WeakPolarHBondContact O-CB 3.49Å; K242-K245 PolarHBondContact O-N 2.93Å; L243-K245 VanDerWaalsContact C-N 3.29Å; L243-K245 PolarHBondContact O-N 2.86Å; K245-V247 VanDerWaalsContact C-N 3.33Å; K245-V247 PolarHBondContact O-N 3.48Å; K245-Q248 WeakPolarHBondContact O-CB 3.2Å; K245-Q248 PolarHBondContact O-N 3.41Å; K245-Q248 VanDerWaalsContact O-N 3.16Å; K245-E249 WeakPolarHBondContact CE-OE1 3.32Å; K245-E249 IonicContact NZ-OE1 3.31Å; K245-E249 WeakPolarHBondContact O-CG 3.42Å; K245-E249 PolarHBondContact O-N 3.16Å
246Q93.4Very high92.8Very high29 Ų29102 Ų10214%0.13651%0.508CS..Hα-helixtrans-62.8-38176.9-72.8-179.5-6.500113D116 K242 L243 Q248 E249 A250D116-Q246 PolarHBondContact OD2-NE2 3.35Å; K242-Q246 WeakPolarHBondContact O-CG 3.2Å; K242-Q246 PolarHBondContact O-N 2.92Å; L243-Q246 PolarHBondContact O-N 3.18Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q246-E249 PolarHBondContact O-N 2.67Å; Q246-A250 WeakPolarHBondContact O-CB 3.35Å; Q246-A250 PolarHBondContact O-N 3.15Å
247V95.8Very high91.9Very high93 Ų93103 Ų10356%0.56453%0.526SS*.Hα-helixtrans-62.4-43.1174.11690000110.5L243 K244 K245 S251L243-V247 VanDerWaalsContact O-CG2 3.3Å; L243-V247 WeakPolarHBondContact O-CG2 3.1Å; L243-V247 PolarHBondContact O-N 3.41Å; K244-V247 PolarHBondContact O-N 3.25Å; K245-V247 VanDerWaalsContact C-N 3.33Å; K245-V247 PolarHBondContact O-N 3.48Å; V247-S251 VanDerWaalsContact O-CB 3.27Å; V247-S251 WeakPolarHBondContact O-CB 3.38Å; V247-S251 PolarHBondContact O-N 3.37Å; V247-S251 PolarHBondContact O-OG 3.25Å
248Q94.3Very high91.1Very high131 Ų131105.2 Ų105.261%0.61254%0.536SS*.Hα-helixtrans-62.2-48.4175.7-70.1171.83.700111.5K244 K245 Q246 A250 S251 C252K244-Q248 WeakPolarHBondContact O-CG 3.44Å; K244-Q248 PolarHBondContact O-N 3Å; K245-Q248 WeakPolarHBondContact O-CB 3.2Å; K245-Q248 PolarHBondContact O-N 3.41Å; K245-Q248 VanDerWaalsContact O-N 3.16Å; Q246-Q248 VanDerWaalsContact C-N 3.34Å; Q248-A250 PolarHBondContact O-N 3.22Å; Q248-S251 PolarHBondContact O-N 2.92Å; Q248-C252 PolarHBondContact O-N 3.23Å; Q248-C252 VanDerWaalsContact O-N 3.11Å; Q248-C252 PolarHBondContact O-SG 2.88Å; Q248-C252 VanDerWaalsContact O-SG 3.39Å
249E91.4Very high90.5Very high85 Ų85108 Ų10840%0.39755%0.549SS..Hα-helixtrans-60.9-44.6177.7-70.8175.1-176.600112.2Y109 K245 Q246 S251 C252Y109-E249 HydrophobicContact CE1-CB 3.94Å; K245-E249 WeakPolarHBondContact CE-OE1 3.32Å; K245-E249 IonicContact NZ-OE1 3.31Å; K245-E249 WeakPolarHBondContact O-CG 3.42Å; K245-E249 PolarHBondContact O-N 3.16Å; Q246-E249 PolarHBondContact O-N 2.67Å; E249-S251 VanDerWaalsContact C-N 3.27Å; E249-S251 PolarHBondContact O-N 3.44Å; E249-C252 PolarHBondContact O-N 3.46Å
250A90.9Very high89.7Confident26 Ų26111.9 Ų111.922%0.21558%0.575CS.*Hα-helixtrans-66.6-28.6177.400000112.7Y109 Q246 Q248 R253Y109-A250 HydrophobicContact CD1-CB 3.91Å; Y109-A250 HydrophobicContact CD2-CB 3.91Å; Y109-A250 HydrophobicContact CE1-CB 4.33Å; Y109-A250 HydrophobicContact CE2-CB 4.33Å; Y109-A250 HydrophobicContact CG-CB 3.68Å; Q246-A250 WeakPolarHBondContact O-CB 3.35Å; Q246-A250 PolarHBondContact O-N 3.15Å; Q248-A250 PolarHBondContact O-N 3.22Å; A250-R253 WeakPolarHBondContact O-CD 3.42Å; A250-R253 WeakPolarHBondContact O-CG 3.42Å
251S91.6Very high88.8Confident91 Ų91119.8 Ų119.864%0.63660%0.597SS**Hα-helixtrans-76.5-31.5177.8-61.60000112.5V247 Q248 E249 R253V247-S251 VanDerWaalsContact O-CB 3.27Å; V247-S251 WeakPolarHBondContact O-CB 3.38Å; V247-S251 PolarHBondContact O-N 3.37Å; V247-S251 PolarHBondContact O-OG 3.25Å; Q248-S251 PolarHBondContact O-N 2.92Å; E249-S251 VanDerWaalsContact C-N 3.27Å; E249-S251 PolarHBondContact O-N 3.44Å; S251-R253 VanDerWaalsContact C-N 3.26Å; S251-R253 PolarHBondContact O-N 3.06Å
252C89.6Confident87.7Confident110 Ų110118 Ų11874%0.74360%0.597SS**SBendtrans-77.7-7.4177.8-68.60000113.8Q248 E249Q248-C252 PolarHBondContact O-N 3.23Å; Q248-C252 VanDerWaalsContact O-N 3.11Å; Q248-C252 PolarHBondContact O-SG 2.88Å; Q248-C252 VanDerWaalsContact O-SG 3.39Å; E249-C252 PolarHBondContact O-N 3.46Å
253R83Confident86.6Confident145 Ų145120.3 Ų120.355%0.54761%0.614SS.*SBendtrans-74.2137.9-176.384.4-168.7173.1158.4-2.8111.9A250 S251 R255A250-R253 WeakPolarHBondContact O-CD 3.42Å; A250-R253 WeakPolarHBondContact O-CG 3.42Å; S251-R253 VanDerWaalsContact C-N 3.26Å; S251-R253 PolarHBondContact O-N 3.06Å; R253-R255 PolarHBondContact O-N 2.95Å
254P80.6Confident85.5Confident116 Ų116124.7 Ų124.775%0.75363%0.631SS**PPolyproline II helixtrans-64133.1171.524.1-29.9000110Q256P254-Q256 PolarHBondContact O-N 2.93Å
255R79.1Confident83.7Confident247 Ų247124.8 Ų124.893%0.93263%0.633SS**PPolyproline II helixtrans-64.2120.8175.5-69.7-169.1-177.4-165.11.9108.9R253 A257R253-R255 PolarHBondContact O-N 2.95Å; R255-A257 PolarHBondContact O-N 3.32Å
256Q77Confident81.8Confident188 Ų188125.9 Ų125.988%0.87964%0.641SS**PPolyproline II helixtrans-75.2124.1173.4-67.8179.7-9.800108.9P254 H258P254-Q256 PolarHBondContact O-N 2.93Å; Q256-H258 PolarHBondContact O-N 3.36Å
257A79.7Confident80Confident91 Ų91131.4 Ų131.475%0.75267%0.666SS**  trans-69.2113.2169.800000108.4R255 I259R255-A257 PolarHBondContact O-N 3.32Å; A257-I259 PolarHBondContact O-N 3.08Å
258H83.8Confident77.9Confident160 Ų160132 Ų13274%0.74167%0.674SS**  trans-74.3113.8171.3176.2-86.6000108.4Q256 P260Q256-H258 PolarHBondContact O-N 3.36Å; H258-P260 VanDerWaalsContact O-CD 3.31Å; H258-P260 WeakPolarHBondContact O-CD 3.28Å
259I85.3Confident75.8Confident141 Ų141130.5 Ų130.572%0.72368%0.678SS**  trans-92107.1172.3-57.8174.1000106.9A257 R261A257-I259 PolarHBondContact O-N 3.08Å; I259-R261 PolarHBondContact O-N 3.08Å
260P82Confident73.7Confident94 Ų94135.2 Ų135.261%0.6170%0.698SS**PPolyproline II helixtrans-59.3124.5177.2-19.332.7000109.3H258 P262H258-P260 VanDerWaalsContact O-CD 3.31Å; H258-P260 WeakPolarHBondContact O-CD 3.28Å; P260-P262 WeakPolarHBondContact O-CD 3.41Å
261R80.1Confident71.3Confident217 Ų217141.8 Ų141.882%0.81973%0.728SS**PPolyproline II helixtrans-77.1124.2175.8-74.3-176.2-76.3176.4-2.9108.9I259I259-R261 PolarHBondContact O-N 3.08Å
262P74Confident68.9Low92 Ų92144 Ų14460%0.59774%0.738SS**PPolyproline II helixtrans-62.1138.2176.4-20.131.6000111.1P260 F264 Q265P260-P262 WeakPolarHBondContact O-CD 3.41Å; P262-F264 PolarHBondContact O-N 3.31Å; P262-F264 VanDerWaalsContact O-N 3.1Å; P262-Q265 PolarHBondContact O-N 3.1Å
263L74.2Confident66.4Low164 Ų164145.7 Ų145.786%0.85974%0.739SS**THydrogen-bonded Turntrans-53.8-31.5-178.8-84.3155.5000113.8
264F75.2Confident64Low146 Ų146147 Ų14764%0.6475%0.751SS**THydrogen-bonded Turntrans-108.127.9-169.5-56.7-63.2000114.1P262 E266 H267P262-F264 PolarHBondContact O-N 3.31Å; P262-F264 VanDerWaalsContact O-N 3.1Å; F264-E266 PolarHBondContact O-N 3.17Å; F264-H267 AromaticContact CD1-CD2 3.78Å; F264-H267 PolarHBondContact O-N 3.45Å; F264-H267 VanDerWaalsContact O-N 3.16Å
265Q59.9Low61.9Low126 Ų126145.3 Ų145.359%0.58975%0.754SS**G310 helixtrans-61.2-28.5-178.3-164.6167.910.400113.2P262 H267P262-Q265 PolarHBondContact O-N 3.1Å; Q265-H267 PolarHBondContact O-N 2.84Å
266E57.5Low59.6Low152 Ų152138.4 Ų138.471%0.7174%0.744SS**G310 helixtrans-76.4-15178.3-73.5-159.517100114.6F264F264-E266 PolarHBondContact O-N 3.17Å
267H55.8Low57.5Low145 Ų145136.5 Ų136.567%0.67174%0.74SS**G310 helixtrans-80.2-21.2179.4-70.2-62.3000113.5F264 Q265F264-H267 AromaticContact CD1-CD2 3.78Å; F264-H267 PolarHBondContact O-N 3.45Å; F264-H267 VanDerWaalsContact O-N 3.16Å; Q265-H267 PolarHBondContact O-N 2.84Å
268S51Low55.1Low105 Ų105136.9 Ų136.973%0.73474%0.737SS**G310 helixtrans-83.4-10.4-179.9-74.10000114.4
269S50.3Low52.7Low100 Ų100135.3 Ų135.370%0.69974%0.744SS**G310 helixtrans-91.74.1-176-54.70000114.9
270K46.1Very low50.2Low184 Ų184135 Ų13580%0.875%0.749SS**G310 helixtrans-100.86177.2-82.1-170.2176.4-178.70115.7
271L41.5Very low47.9Very low164 Ų164138.7 Ų138.786%0.85976%0.763SS**  trans-110.855.4173.3-91.4156.8000111.7
272V41Very low45.4Very low138 Ų138136.1 Ų136.184%0.83676%0.76SS**  trans-136.172.6155.5-172.10000107.4
273L38Very low43.4Very low145 Ų145141 Ų14176%0.75977%0.773SS**  trans-89.6115164.6-91.3161.3000108.3
274Q32.2Very low41.2Very low173 Ų173136.8 Ų136.881%0.80877%0.768SS**  trans63.687.4148-72.7171.4-11.600118.3
275G35.6Very low39.1Very low80 Ų80134.5 Ų134.583%0.82578%0.776SS**  trans-119.5102.9145.800000109.1
276S31.4Very low37.5Very low102 Ų102134.3 Ų134.371%0.71379%0.789SS**  trans-54136.2-177.2-43.20000115.3
277N32.7Very low36.4Very low148 Ų148131.8 Ų131.879%0.79179%0.794SS**  161.3120.2107.3-94.7-8000113.1
278S29.9Very low35Very low99 Ų99131.7 Ų131.769%0.69280%0.804SS**  trans25.8116.3142.860.80000119.8
279S33.3Very low34.2Very low126 Ų126131.3 Ų131.388%0.88181%0.807SS**  trans-152.5113130.4-70.40000107.8
280V32.2Very low33.7Very low136 Ų136132.2 Ų132.282%0.82481%0.811SS**  trans-68.8126.6171.5-1240000106.9
281D33.8Very low33.1Very low171 Ų171130.5 Ų130.591%0.91482%0.815SS**  trans-149.3129.3146.6-92.5-36000109.6
282E26.8Very low32.7Very low162 Ų162128 Ų12876%0.75781%0.811SS**  trans-91.3163.9-168.1-171.8174.1-178.700110.1
283F32.2Very low32.2Very low196 Ų196131 Ų13186%0.8681%0.808SS**  trans114.8116.8162.6-71.7-80.5000117.4
284G28.6Very low31.9Very low74 Ų74131 Ų13176%0.76381%0.813SS**  trans124.563.1135.800000119.1
285A30.5Very low31.9Very low99 Ų99129.6 Ų129.682%0.81881%0.811SS**  trans42.5124134.200000123
286S27.1Very low31.6Very low122 Ų122130.8 Ų130.885%0.85381%0.814SS**  82.1105.1127.6-168.70000120.6
287A34.2Very low31.7Very low98 Ų98130.8 Ų130.881%0.8181%0.814SS**  -179.7118.9105.600000110.5
288T26.7Very low31.7Very low143 Ų143131.4 Ų131.488%0.87782%0.817SS**  trans-91136.5176.346.60000111.4
289A34.6Very low31.6Very low97 Ų97131.2 Ų131.280%0.80282%0.821SS**  trans-171.6140.8134.300000111.8
290P39.5Very low31.4Very low120 Ų120134.5 Ų134.578%0.77982%0.823SS**  trans-104.9146.5-162.937.9-28.4000113.6
291V34.5Very low31.3Very low147 Ų147136.9 Ų136.989%0.89183%0.825SS**  trans-107.7114.1167.9-175.60000108.6R293V291-R293 PolarHBondContact O-N 3.26Å
292S31.5Very low31Very low112 Ų112136.7 Ų136.778%0.78382%0.82SS**PPolyproline II helixtrans-65.6124.9-179.1-60.40000111.8
293R31.1Very low31Very low202 Ų202141 Ų14176%0.76283%0.83SS**PPolyproline II helixtrans-84.9116.6-179.3-167177.7-169.8167.61.7109.1V291V291-R293 PolarHBondContact O-N 3.26Å
294V32.5Very low30.6Very low143 Ų143139.4 Ų139.487%0.86783%0.825SS**PPolyproline II helixtrans-87.8116.8169.9-1330000107.8A296V294-A296 PolarHBondContact O-N 2.7Å
295N30.4Very low30.7Very low144 Ų144140.3 Ų140.377%0.7783%0.825SS**  trans-73.2107176.6-90.1-6.5000109.7
296A30.3Very low30.7Very low106 Ų106141 Ų14188%0.87682%0.821SS**  trans-91.496.2163.200000108.3V294V294-A296 PolarHBondContact O-N 2.7Å
297S32.5Very low30.7Very low102 Ų102144.4 Ų144.471%0.71382%0.824SS**  trans-91.6126.2170.450.40000110.4
298N33Very low30.6Very low160 Ų160145.7 Ų145.786%0.85682%0.821SS**  trans81.576.1155.1-62.714.5000117.4
299A29Very low30.6Very low95 Ų95147.3 Ų147.379%0.78582%0.819SS**  trans-84.8118.2142.700000109.1
300Q27.9Very low30.6Very low196 Ų196150 Ų15092%0.91682%0.82SS**  trans172.184.9141.2-103.6-178-70.400108.3
301E31.3Very low30.3Very low186 Ų186149.6 Ų149.687%0.86982%0.817SS**  trans-122.4129.7149.1-78.9-167.8158.500109W303E301-W303 PolarHBondContact O-N 3.1Å
302M26.6Very low30.2Very low166 Ų166153.4 Ų153.482%0.81882%0.816SS**  trans-64.4120.1-172.2178.7167.3147.100109.5Q304M302-Q304 PolarHBondContact O-N 2.69Å
303W26.8Very low30Very low253 Ų253153 Ų15396%0.95882%0.819SS**  trans-65102.5-176.6-6957.3000110.1E301E301-W303 PolarHBondContact O-N 3.1Å
304Q24.2Very low30Very low163 Ų163147 Ų14776%0.76281%0.813SS**PPolyproline II helixtrans-101123158-75.9-172.4-5.700108.2M302M302-Q304 PolarHBondContact O-N 2.69Å
305A30.7Very low29.9Very low92 Ų92147 Ų14776%0.7681%0.813SS**PPolyproline II helixtrans-56.4125.317800000109.7Q307A305-Q307 PolarHBondContact O-N 3.01Å
306P30.1Very low29.7Very low114 Ų114145.2 Ų145.274%0.7481%0.812SS**PPolyproline II helixtrans-70.5118.3-175.1-8.822.2000110.1V308P306-V308 VanDerWaalsContact C-N 3.3Å; P306-V308 HydrophobicContact CB-CG2 4.2Å; P306-V308 PolarHBondContact O-N 2.78Å
307Q26.8Very low29.7Very low193 Ų193148.1 Ų148.190%0.90281%0.813SS**  trans-7090.4160.6-69.2-99.8-6400107.1A305 Q309A305-Q307 PolarHBondContact O-N 3.01Å; Q307-Q309 PolarHBondContact O-N 2.79Å; Q307-Q309 VanDerWaalsContact O-N 3.17Å
308V33.5Very low29.4Very low126 Ų126146.9 Ų146.976%0.76482%0.816SS**  trans-73.6107.2176.5-176.30000107.7P306 D310P306-V308 VanDerWaalsContact C-N 3.3Å; P306-V308 HydrophobicContact CB-CG2 4.2Å; P306-V308 PolarHBondContact O-N 2.78Å; V308-D310 PolarHBondContact O-N 2.83Å
309Q26.4Very low29.3Very low177 Ų177144.4 Ų144.483%0.82781%0.811SS**  trans-60.4121.7168.7-91.1171.6-54.700109.7Q307 P311Q307-Q309 PolarHBondContact O-N 2.79Å; Q307-Q309 VanDerWaalsContact O-N 3.17Å; Q309-P311 WeakPolarHBondContact O-CD 3.23Å
310D33.6Very low29.3Very low154 Ų154146.4 Ų146.482%0.82481%0.808SS**  trans-59.9114.7171.3-103.2-39.3000110.9V308V308-D310 PolarHBondContact O-N 2.83Å
311P34.4Very low29.6Very low111 Ų111142.2 Ų142.272%0.72180%0.796SS**  trans-86.5-5.4178.1-8.527.8000113.6Q309Q309-P311 WeakPolarHBondContact O-CD 3.23Å
312W31.3Very low29.7Very low227 Ų227141.7 Ų141.786%0.8679%0.794SS**  trans-116.238.8-165.4-7418.3000114.7A314W312-A314 PolarHBondContact O-N 3.24Å
313A28.2Very low30.1Very low104 Ų104140.2 Ų140.286%0.8679%0.794SS**  trans-74.254.1160.700000111.4
314A30Very low30.6Very low76 Ų76131.9 Ų131.963%0.62877%0.773SS**  trans-177.3112.6163.500000107.9W312W312-A314 PolarHBondContact O-N 3.24Å
315V29.9Very low31.2Very low142 Ų142129.5 Ų129.586%0.86177%0.774SS**  173.7103117.91720000106
316S27.8Very low31.8Very low107 Ų107130.2 Ų130.275%0.74878%0.779SS**  trans-70.4149.8167.8-450000110.4
317N29.3Very low33.4Very low167 Ų167129.9 Ų129.989%0.89377%0.768SS**  trans61.5120.6159.9-80.93000118.7
318G27.6Very low36.2Very low76 Ų76122.7 Ų122.778%0.78475%0.746SS**  trans159.296.8153.600000113.9N320G318-N320 PolarHBondContact O-N 2.86Å
319S31Very low39.1Very low107 Ų107118.1 Ų118.175%0.74872%0.719SS**  trans-52128.1160.254.30000111.2
320N29Very low42.5Very low137 Ų137110.3 Ų110.373%0.73368%0.683SS**  154127.1127.8-85.2-15.2000111G318G318-N320 PolarHBondContact O-N 2.86Å
321T32.4Very low45.5Very low108 Ų108103 Ų10366%0.66364%0.644SS**  trans18.6108.5141.957.90000115.4
322H34.2Very low48.4Very low176 Ų176101.9 Ų101.982%0.81563%0.628SS**  trans-171.1130.5135.7-83.9-52.1000108.1P324H322-P324 WeakPolarHBondContact O-CD 3.35Å
323T35Very low51.4Low135 Ų13591.1 Ų91.183%0.82859%0.587SS**  trans-42.7113.1173.441.10000111.6S325T323-S325 PolarHBondContact O-N 3.22Å
324P36.8Very low54.4Low78 Ų7889.3 Ų89.351%0.50656%0.563SS.*  trans-85.5106177.915.1-1.3000109.5H322 Q327H322-P324 WeakPolarHBondContact O-CD 3.35Å; P324-Q327 HydrophobicContact CB-CG 4.26Å; P324-Q327 VanDerWaalsContact CB-NE2 3.35Å
325S36.3Very low57.2Low113 Ų11392 Ų9279%0.7956%0.558SS**THydrogen-bonded Turntrans-48.5135.7153.651.90000110.8T323T323-S325 PolarHBondContact O-N 3.22Å
326A44.6Very low60Low106 Ų10688.9 Ų88.988%0.87654%0.536SS*.THydrogen-bonded Turntrans74.229.316500000119
327Q62.7Low63Low108 Ų10884.9 Ų84.951%0.50551%0.506SS..  trans-85.5131.7165.4-72.8171.31.900109.7P324P324-Q327 HydrophobicContact CB-CG 4.26Å; P324-Q327 VanDerWaalsContact CB-NE2 3.35Å
328G85.6Confident66Low42 Ų4283.7 Ų83.743%0.43350%0.495SS..  trans-59.7-174.6177.600000113.2C330G328-C330 PolarHBondContact O-N 3.1Å
329P95.9Very high68.8Low30 Ų3083.3 Ų83.320%0.19548%0.478CS..SBendtrans-45.7126-176.2-28.333.9000113L355 V385 L387 P388P329-L355 HydrophobicContact CB-CB 3.9Å; P329-L355 PolarHBondContact O-N 3.22Å; P329-V385 CarbonylContact C-O 3.51Å; P329-V385 VanDerWaalsContact CA-O 3.27Å; P329-V385 WeakPolarHBondContact CA-O 3.46Å; P329-L387 HydrophobicContact CB-CD2 3.81Å; P329-L387 HydrophobicContact CB-CG 4.26Å; P329-L387 HydrophobicContact CG-CD2 4.2Å; P329-P388 HydrophobicContact CG-CG 4.5Å
330C96.3Very high71.2Confident12 Ų1286.5 Ų86.58%0.08148%0.482CS..EExtended strand (participates in β ladder)trans-155.8160.2-175.570.60000112.7G328 I352 I353 L384 V385G328-C330 PolarHBondContact O-N 3.1Å; C330-I352 HydrophobicContact CB-CG2 4.37Å; C330-I353 CarbonylContact C-O 3.52Å; C330-I353 VanDerWaalsContact CA-O 3.28Å; C330-I353 WeakPolarHBondContact CA-O 2.97Å; C330-I353 WeakPolarHBondContact CB-O 3.29Å; C330-L384 PolarHBondContact O-N 3.13Å; C330-V385 PolarHBondContact N-O 3.16Å; C330-V385 PolarHBondContact O-N 3.18Å
331C96.5Very high73.6Confident0 Ų084.8 Ų84.80%047%0.472CS..EExtended strand (participates in β ladder)trans-139.5164.6176.764.10000111.3I352 I353 L355 V381 Q382C331-I352 WeakPolarHBondContact O-CA 3.42Å; C331-I353 PolarHBondContact N-O 3.34Å; C331-I353 PolarHBondContact O-N 3.29Å; C331-L355 HydrophobicContact CB-CD1 4.18Å; C331-L355 HydrophobicContact CB-CD2 4.37Å; C331-L355 HydrophobicContact CB-CG 4.26Å; C331-V381 HydrophobicContact CB-CB 3.97Å; C331-V381 HydrophobicContact CB-CG2 4.05Å; C331-Q382 CarbonylContact C-O 3.59Å; C331-Q382 WeakPolarHBondContact CA-O 3.41Å; C331-Q382 VanDerWaalsContact CB-O 3.26Å; C331-Q382 WeakPolarHBondContact CB-O 3.47Å
332K96.2Very high76.1Confident88 Ų8885.4 Ų85.438%0.38348%0.481SS..EExtended strand (participates in β ladder)trans-112.2132.5174.6-178.3177.6178-173.70109.9L334 Q351 I352 V381 Q382 L384K332-L334 PolarHBondContact O-N 2.82Å; K332-Q351 CarbonylContact C-O 3.42Å; K332-Q351 WeakPolarHBondContact CA-O 3.42Å; K332-I352 HydrophobicContact CB-CD1 3.71Å; K332-I352 HydrophobicContact CD-CD1 4.3Å; K332-I352 HydrophobicContact CG-CD1 3.85Å; K332-V381 CarbonylContact O-C 3.56Å; K332-V381 VanDerWaalsContact O-CA 3.26Å; K332-V381 WeakPolarHBondContact O-CA 3.37Å; K332-Q382 PolarHBondContact N-O 3.39Å; K332-Q382 PolarHBondContact O-N 3.02Å; K332-L384 HydrophobicContact CB-CD1 4.14Å; K332-L384 HydrophobicContact CB-CD2 4.43Å; K332-L384 HydrophobicContact CB-CG 4.29Å
333A94.5Very high78.5Confident1 Ų179 Ų791%0.00846%0.463CS..EExtended strand (participates in β ladder)trans-63.8126.7172.400000111.1F347 K348 G350 Q351A333-F347 HydrophobicContact CB-CD2 3.43Å; A333-F347 VanDerWaalsContact CB-CD2 3.43Å; A333-F347 HydrophobicContact CB-CE2 3.65Å; A333-F347 HydrophobicContact CB-CG 4.42Å; A333-K348 WeakPolarHBondContact CB-O 3.5Å; A333-G350 WeakPolarHBondContact O-CA 3.43Å; A333-G350 PolarHBondContact O-N 3.26Å; A333-Q351 PolarHBondContact N-O 2.83Å
334L90.6Very high81.1Confident67 Ų6773.8 Ų73.835%0.35143%0.429SS..SBendtrans-88.6-22.4173.2-66174.8000112.1K332 E349 Y380 Q382K332-L334 PolarHBondContact O-N 2.82Å; L334-E349 WeakPolarHBondContact O-CG 3.41Å; L334-Y380 WeakPolarHBondContact CB-O 3.48Å; L334-Y380 PolarHBondContact N-O 3.32Å; L334-Q382 HydrophobicContact CD1-CB 4.35Å; L334-Q382 HydrophobicContact CD2-CB 4Å; L334-Q382 HydrophobicContact CG-CB 4.19Å
335Y88.4Confident83.9Confident132 Ų13270.1 Ų70.152%0.51841%0.405SS..SBendtrans-143.3162.9-178.7-49.8-69.7000109.9F347 Y380Y335-F347 WeakPolarHBondContact O-CE2 3.41Å; Y335-Y380 HydrophobicContact CD2-CD1 4.25Å; Y335-Y380 HydrophobicContact CD2-CG 4.31Å
336D88.7Confident86.6Confident76 Ų7665.7 Ų65.741%0.40638%0.377SS..  trans-63.9143.2162.9-75.77.9000110.2K348 E349 Y380D336-K348 HydrophobicContact CB-CD 4.23Å; D336-K348 VanDerWaalsContact OD1-CA 3.29Å; D336-K348 WeakPolarHBondContact OD1-CA 3.41Å; D336-K348 WeakPolarHBondContact OD1-CD 3.4Å; D336-K348 WeakPolarHBondContact OD2-CD 3.46Å; D336-K348 WeakPolarHBondContact OD2-CE 3.36Å; D336-K348 IonicContact OD2-NZ 3.31Å; D336-K348 PolarHBondContact OD2-NZ 2.86Å; D336-E349 PolarHBondContact OD1-N 2.98Å; D336-Y380 WeakPolarHBondContact O-CE1 3.49Å
337F91.1Very high89Confident24 Ų2461 Ų6111%0.10534%0.337CS..BIsolated β-bridgetrans-134.5116.3173.2-176.1-109.7000109.5E344 L345 G346 F347 W363 F376 P377 Y380F337-E344 HydrophobicContact CE1-CB 4.21Å; F337-L345 VanDerWaalsContact CD1-O 3.27Å; F337-L345 WeakPolarHBondContact CD1-O 3.47Å; F337-G346 CarbonylContact O-C 3.58Å; F337-G346 VanDerWaalsContact O-CA 3.23Å; F337-G346 WeakPolarHBondContact O-CA 3.4Å; F337-F347 HydrophobicContact CB-CD1 4.25Å; F337-F347 HydrophobicContact CB-CD2 3.94Å; F337-F347 HydrophobicContact CB-CE1 3.85Å; F337-F347 HydrophobicContact CB-CE2 3.51Å; F337-F347 HydrophobicContact CB-CG 4.3Å; F337-F347 HydrophobicContact CB-CZ 3.47Å; F337-F347 VanDerWaalsContact CB-CZ 3.47Å; F337-F347 HydrophobicContact CD1-CD1 4.41Å; F337-F347 AromaticContact CD1-CE1 3.87Å; F337-F347 HydrophobicContact CD1-CE1 3.87Å; F337-F347 HydrophobicContact CD1-CZ 4.19Å; F337-F347 HydrophobicContact CG-CE1 4.17Å; F337-F347 HydrophobicContact CG-CZ 4.02Å; F337-F347 PolarHBondContact N-O 2.84Å; F337-F347 PolarHBondContact O-N 3.36Å; F337-W363 HydrophobicContact CZ-CZ3 4.36Å; F337-F376 HydrophobicContact CD1-CB 4.22Å; F337-F376 HydrophobicContact CE1-CB 4.15Å; F337-P377 HydrophobicContact CD2-CG 4.36Å; F337-P377 HydrophobicContact CE2-CG 3.79Å; F337-P377 HydrophobicContact CZ-CG 4.14Å; F337-Y380 HydrophobicContact CB-CD1 4.01Å; F337-Y380 HydrophobicContact CB-CE1 4.42Å; F337-Y380 AromaticContact CD2-CD1 3.95Å; F337-Y380 HydrophobicContact CD2-CD1 3.95Å; F337-Y380 AromaticContact CD2-CE1 3.9Å; F337-Y380 HydrophobicContact CD2-CE1 3.9Å; F337-Y380 HydrophobicContact CG-CD1 4.37Å
338E92Very high90.5Very high142 Ų14260.5 Ų60.566%0.66433%0.333SS*.  trans-100123.8174.9-69.2-176.4178.100108.4K348E338-K348 IonicContact OE1-NZ 2.66Å
339P86.3Confident90.7Very high67 Ų6765 Ų6544%0.43534%0.343SS..  trans-73.9129.4-176.127.9-30.2000110.2E344P339-E344 WeakPolarHBondContact CA-OE2 3.46Å; P339-E344 HydrophobicContact CB-CB 3.5Å
340E82.8Confident90.4Very high175 Ų17565.1 Ų65.182%0.81835%0.35SS*.  trans-99.1-26.6177.2-66.8-177.2-179.600111.4E344E340-E344 PolarHBondContact N-OE2 3.13Å
341N78.4Confident90.3Very high100 Ų10068.3 Ų68.354%0.53536%0.363SS..SBendtrans-116.5156.7-177.1-57.1-73.9000112.7G343 E344N341-G343 PolarHBondContact O-N 2.54Å; N341-E344 HydrophobicContact CB-CG 4.24Å; N341-E344 WeakPolarHBondContact CB-OE1 3.35Å; N341-E344 PolarHBondContact N-OE2 3.06Å; N341-E344 VanDerWaalsContact N-OE2 3.1Å; N341-E344 PolarHBondContact ND2-OE1 2.73Å; N341-E344 WeakPolarHBondContact O-CB 3.38Å; N341-E344 PolarHBondContact O-N 3.1Å
342S84.9Confident90.3Very high121 Ų12171.8 Ų71.885%0.84638%0.381SS*.THydrogen-bonded Turntrans-64.2130.4173.351.70000111.2
343G84.5Confident90.4Very high42 Ų4267.6 Ų67.643%0.43336%0.363SS..THydrogen-bonded Turntrans94.7-7.8-178.400000114.7N341 G374 F375N341-G343 PolarHBondContact O-N 2.54Å; G343-G374 CarbonylContact O-C 3.58Å; G343-G374 WeakPolarHBondContact O-CA 3.44Å; G343-F375 WeakPolarHBondContact O-CD1 3.41Å; G343-F375 VanDerWaalsContact O-CE1 3.24Å; G343-F375 WeakPolarHBondContact O-CE1 3.45Å; G343-F375 PolarHBondContact O-N 3.5Å
344E91.1Very high90.5Very high25 Ų2574.7 Ų74.712%0.11739%0.39CS..BIsolated β-bridgetrans-75.2145.3171.6-71.2175.3-178.200111.6F337 P339 E340 N341 W363 F375F337-E344 HydrophobicContact CE1-CB 4.21Å; P339-E344 WeakPolarHBondContact CA-OE2 3.46Å; P339-E344 HydrophobicContact CB-CB 3.5Å; E340-E344 PolarHBondContact N-OE2 3.13Å; N341-E344 HydrophobicContact CB-CG 4.24Å; N341-E344 WeakPolarHBondContact CB-OE1 3.35Å; N341-E344 PolarHBondContact N-OE2 3.06Å; N341-E344 VanDerWaalsContact N-OE2 3.1Å; N341-E344 PolarHBondContact ND2-OE1 2.73Å; N341-E344 WeakPolarHBondContact O-CB 3.38Å; N341-E344 PolarHBondContact O-N 3.1Å; E344-W363 HydrophobicContact CG-CZ3 4.47Å; E344-F375 VanDerWaalsContact CA-O 3.29Å; E344-F375 WeakPolarHBondContact CA-O 3.21Å; E344-F375 HydrophobicContact CB-CE2 4.34Å; E344-F375 HydrophobicContact CG-CD2 3.7Å; E344-F375 HydrophobicContact CG-CE2 3.21Å; E344-F375 HydrophobicContact CG-CZ 3.8Å
345L93.8Very high90.8Very high2 Ų271.7 Ų71.71%0.0137%0.374CS..  trans-101.8109.8-180-179.364000110.7F337 F347 I353 L368 Q372 F375 F376F337-L345 VanDerWaalsContact CD1-O 3.27Å; F337-L345 WeakPolarHBondContact CD1-O 3.47Å; L345-F347 WeakPolarHBondContact O-CD1 3.26Å; L345-F347 WeakPolarHBondContact O-CE1 3.5Å; L345-I353 HydrophobicContact CD2-CG2 3.94Å; L345-L368 HydrophobicContact CD1-CD1 3.94Å; L345-L368 HydrophobicContact CD1-CG 4.05Å; L345-L368 HydrophobicContact CD2-CG 4.18Å; L345-L368 HydrophobicContact CG-CD1 4.38Å; L345-L368 HydrophobicContact CG-CG 4.3Å; L345-Q372 HydrophobicContact CD1-CB 3.79Å; L345-F375 PolarHBondContact N-O 3.26Å; L345-F376 HydrophobicContact CB-CD1 4.13Å; L345-F376 HydrophobicContact CD2-CD1 3.99Å; L345-F376 HydrophobicContact CD2-CE1 3.97Å
346G92.9Very high91Very high19 Ų1968.7 Ų68.720%0.19637%0.366CS..  trans-74.9140.2174.500000113.8F337 L368F337-G346 CarbonylContact O-C 3.58Å; F337-G346 VanDerWaalsContact O-CA 3.23Å; F337-G346 WeakPolarHBondContact O-CA 3.4Å; G346-L368 WeakPolarHBondContact O-CD1 3.47Å
347F95.6Very high91.3Very high8 Ų866.9 Ų66.94%0.03536%0.359CS..BIsolated β-bridgetrans-154169.2177.752.2-100.3000112.8A333 Y335 F337 L345 Q351 I353 L368 F376 V381A333-F347 HydrophobicContact CB-CD2 3.43Å; A333-F347 VanDerWaalsContact CB-CD2 3.43Å; A333-F347 HydrophobicContact CB-CE2 3.65Å; A333-F347 HydrophobicContact CB-CG 4.42Å; Y335-F347 WeakPolarHBondContact O-CE2 3.41Å; F337-F347 HydrophobicContact CB-CD1 4.25Å; F337-F347 HydrophobicContact CB-CD2 3.94Å; F337-F347 HydrophobicContact CB-CE1 3.85Å; F337-F347 HydrophobicContact CB-CE2 3.51Å; F337-F347 HydrophobicContact CB-CG 4.3Å; F337-F347 HydrophobicContact CB-CZ 3.47Å; F337-F347 VanDerWaalsContact CB-CZ 3.47Å; F337-F347 HydrophobicContact CD1-CD1 4.41Å; F337-F347 AromaticContact CD1-CE1 3.87Å; F337-F347 HydrophobicContact CD1-CE1 3.87Å; F337-F347 HydrophobicContact CD1-CZ 4.19Å; F337-F347 HydrophobicContact CG-CE1 4.17Å; F337-F347 HydrophobicContact CG-CZ 4.02Å; F337-F347 PolarHBondContact N-O 2.84Å; F337-F347 PolarHBondContact O-N 3.36Å; L345-F347 WeakPolarHBondContact O-CD1 3.26Å; L345-F347 WeakPolarHBondContact O-CE1 3.5Å; F347-Q351 VanDerWaalsContact CA-OE1 3.3Å; F347-I353 HydrophobicContact CB-CD1 4.29Å; F347-I353 HydrophobicContact CD1-CD1 3.45Å; F347-I353 VanDerWaalsContact CD1-CD1 3.45Å; F347-I353 HydrophobicContact CD1-CG1 4.48Å; F347-I353 HydrophobicContact CD2-CD1 4.09Å; F347-I353 HydrophobicContact CE1-CD1 3.64Å; F347-I353 HydrophobicContact CE2-CD1 4.25Å; F347-I353 HydrophobicContact CG-CD1 3.68Å; F347-I353 HydrophobicContact CZ-CD1 4.04Å; F347-L368 HydrophobicContact CB-CD2 4.44Å; F347-F376 HydrophobicContact CE1-CB 3.5Å; F347-F376 VanDerWaalsContact CE1-CB 3.5Å; F347-F376 HydrophobicContact CE1-CD1 4.15Å; F347-F376 AromaticContact CE1-CD2 3.97Å; F347-F376 HydrophobicContact CE1-CD2 3.97Å; F347-F376 AromaticContact CE1-CG 3.61Å; F347-F376 HydrophobicContact CE1-CG 3.61Å; F347-F376 HydrophobicContact CZ-CB 4.07Å; F347-F376 HydrophobicContact CZ-CD2 4.19Å; F347-F376 HydrophobicContact CZ-CG 4.23Å; F347-V381 HydrophobicContact CE2-CG1 4.44Å; F347-V381 HydrophobicContact CZ-CG1 4.1Å
348K93.6Very high91.3Very high97 Ų9770.8 Ų70.842%0.42238%0.378SS..  trans-110.8150.9177.8-65.7-61.7-173.5-172.80111.9A333 D336 E338 G350 Q351A333-K348 WeakPolarHBondContact CB-O 3.5Å; D336-K348 HydrophobicContact CB-CD 4.23Å; D336-K348 VanDerWaalsContact OD1-CA 3.29Å; D336-K348 WeakPolarHBondContact OD1-CA 3.41Å; D336-K348 WeakPolarHBondContact OD1-CD 3.4Å; D336-K348 WeakPolarHBondContact OD2-CD 3.46Å; D336-K348 WeakPolarHBondContact OD2-CE 3.36Å; D336-K348 IonicContact OD2-NZ 3.31Å; D336-K348 PolarHBondContact OD2-NZ 2.86Å; E338-K348 IonicContact OE1-NZ 2.66Å; K348-G350 PolarHBondContact O-N 2.84Å; K348-Q351 HydrophobicContact CB-CG 4.33Å; K348-Q351 VanDerWaalsContact O-CB 3.27Å; K348-Q351 WeakPolarHBondContact O-CB 3.33Å; K348-Q351 WeakPolarHBondContact O-CG 3.3Å; K348-Q351 PolarHBondContact O-N 3.28Å
349E91.5Very high91Very high136 Ų13668.3 Ų68.364%0.63637%0.369SS*.THydrogen-bonded Turntrans-48.4134.6176.1-178.8-179.1162.600110.5L334 D336 Q351L334-E349 WeakPolarHBondContact O-CG 3.41Å; D336-E349 PolarHBondContact OD1-N 2.98Å; E349-Q351 VanDerWaalsContact C-N 3.29Å; E349-Q351 PolarHBondContact O-N 2.93Å
350G89.6Confident91.1Very high34 Ų3468.7 Ų68.735%0.35137%0.367SS..THydrogen-bonded Turntrans84.2-10.9179.700000115.6A333 K348A333-G350 WeakPolarHBondContact O-CA 3.43Å; A333-G350 PolarHBondContact O-N 3.26Å; K348-G350 PolarHBondContact O-N 2.84Å
351Q94.2Very high91.1Very high78 Ų7868.4 Ų68.436%0.36437%0.366SS..  trans-65.1145.9174.6-74.7-173.6-35.700112.2K332 A333 F347 K348 E349K332-Q351 CarbonylContact C-O 3.42Å; K332-Q351 WeakPolarHBondContact CA-O 3.42Å; A333-Q351 PolarHBondContact N-O 2.83Å; F347-Q351 VanDerWaalsContact CA-OE1 3.3Å; K348-Q351 HydrophobicContact CB-CG 4.33Å; K348-Q351 VanDerWaalsContact O-CB 3.27Å; K348-Q351 WeakPolarHBondContact O-CB 3.33Å; K348-Q351 WeakPolarHBondContact O-CG 3.3Å; K348-Q351 PolarHBondContact O-N 3.28Å; E349-Q351 VanDerWaalsContact C-N 3.29Å; E349-Q351 PolarHBondContact O-N 2.93Å
352I96.1Very high91.5Very high73 Ų7368 Ų6837%0.37436%0.364SS..EExtended strand (participates in β ladder)trans-96127.6174.5-56.4-58.1000109.1C330 C331 K332 L384C330-I352 HydrophobicContact CB-CG2 4.37Å; C331-I352 WeakPolarHBondContact O-CA 3.42Å; K332-I352 HydrophobicContact CB-CD1 3.71Å; K332-I352 HydrophobicContact CD-CD1 4.3Å; K332-I352 HydrophobicContact CG-CD1 3.85Å; I352-L384 HydrophobicContact CD1-CD1 3.84Å
353I97.2Very high91.8Very high0 Ų065.6 Ų65.60%034%0.336CS..EExtended strand (participates in β ladder)trans-116.8131.3-178.8-52.4160.4000107.8C330 C331 L345 F347 L368 F376 V381C330-I353 CarbonylContact C-O 3.52Å; C330-I353 VanDerWaalsContact CA-O 3.28Å; C330-I353 WeakPolarHBondContact CA-O 2.97Å; C330-I353 WeakPolarHBondContact CB-O 3.29Å; C331-I353 PolarHBondContact N-O 3.34Å; C331-I353 PolarHBondContact O-N 3.29Å; L345-I353 HydrophobicContact CD2-CG2 3.94Å; F347-I353 HydrophobicContact CB-CD1 4.29Å; F347-I353 HydrophobicContact CD1-CD1 3.45Å; F347-I353 VanDerWaalsContact CD1-CD1 3.45Å; F347-I353 HydrophobicContact CD1-CG1 4.48Å; F347-I353 HydrophobicContact CD2-CD1 4.09Å; F347-I353 HydrophobicContact CE1-CD1 3.64Å; F347-I353 HydrophobicContact CE2-CD1 4.25Å; F347-I353 HydrophobicContact CG-CD1 3.68Å; F347-I353 HydrophobicContact CZ-CD1 4.04Å; I353-L368 HydrophobicContact CG1-CD2 3.86Å; I353-F376 HydrophobicContact CB-CZ 4.3Å; I353-F376 HydrophobicContact CD1-CE1 4.44Å; I353-F376 HydrophobicContact CD1-CE2 4.29Å; I353-F376 HydrophobicContact CD1-CZ 4.17Å; I353-F376 HydrophobicContact CG2-CE1 3.64Å; I353-F376 HydrophobicContact CG2-CZ 3.67Å; I353-V381 HydrophobicContact CD1-CG1 4.15Å
354R96.6Very high92.3Very high150 Ų15064.2 Ų64.257%0.56632%0.318SS*.EExtended strand (participates in β ladder)trans-76.5127173179.8176.2174.2-106.3-0.5108.8G366 S367R354-G366 CarbonylContact O-C 3.58Å; R354-G366 WeakPolarHBondContact O-CA 3.39Å; R354-S367 PolarHBondContact N-O 3.49Å; R354-S367 PolarHBondContact O-N 3.35Å
355L96.5Very high92.5Very high4 Ų466.1 Ų66.12%0.02133%0.327CS..EExtended strand (participates in β ladder)trans-81.1131.7175.8-68.8172.4000109.6P329 C331 F364 F376 V383 L387P329-L355 HydrophobicContact CB-CB 3.9Å; P329-L355 PolarHBondContact O-N 3.22Å; C331-L355 HydrophobicContact CB-CD1 4.18Å; C331-L355 HydrophobicContact CB-CD2 4.37Å; C331-L355 HydrophobicContact CB-CG 4.26Å; L355-F364 HydrophobicContact CD2-CB 3.85Å; L355-F364 HydrophobicContact CD2-CD1 4.04Å; L355-F364 HydrophobicContact CD2-CD2 3.67Å; L355-F364 HydrophobicContact CD2-CE2 4.23Å; L355-F364 HydrophobicContact CD2-CG 3.6Å; L355-F376 HydrophobicContact CD2-CE2 4.48Å; L355-F376 HydrophobicContact CD2-CZ 4.03Å; L355-V383 HydrophobicContact CD1-CG1 4.17Å; L355-V383 HydrophobicContact CD1-CG2 4.36Å; L355-L387 HydrophobicContact CB-CD1 4.48Å; L355-L387 HydrophobicContact CB-CD2 3.93Å; L355-L387 HydrophobicContact CB-CG 4.03Å
356I94.2Very high92.6Very high70 Ų7066 Ų6636%0.35933%0.327SS..EExtended strand (participates in β ladder)trans-105-50.8178-65.1171.6000109.8Q365 L387I356-Q365 HydrophobicContact CB-CG 4.49Å; I356-Q365 PolarHBondContact N-O 3.13Å; I356-L387 WeakPolarHBondContact O-CD2 3.49Å
357S93.5Very high92.7Very high37 Ų3766.2 Ų66.226%0.25933%0.325SS..EExtended strand (participates in β ladder)trans-158.4164.1-178.565.60000110.8Q365S357-Q365 PolarHBondContact N-O 3.33Å; S357-Q365 PolarHBondContact O-N 2.68Å; S357-Q365 WeakPolarHBondContact OG-CB 3.46Å; S357-Q365 PolarHBondContact OG-OE1 2.92Å
358Q93.1Very high92.7Very high106 Ų10666.4 Ų66.450%0.49533%0.326SS..EExtended strand (participates in β ladder)trans-104.4119.5168-176.5172.7-7.600107.6D360 F364 I378 L387Q358-D360 WeakPolarHBondContact CG-O 3.5Å; Q358-D360 PolarHBondContact NE2-O 3.03Å; Q358-F364 HydrophobicContact CB-CD1 3.82Å; Q358-F364 HydrophobicContact CB-CE1 3.81Å; Q358-F364 HydrophobicContact CG-CD1 3.97Å; Q358-F364 HydrophobicContact CG-CE1 3.84Å; Q358-I378 HydrophobicContact CG-CD1 4.11Å; Q358-L387 HydrophobicContact CB-CD1 4.03Å
359L84.1Confident92.6Very high90 Ų9067.8 Ų67.847%0.47135%0.345SS..  trans-79.2-41.4-176.7-60-179.2000110.7W363 Q365 F375L359-W363 HydrophobicContact CB-CB 4.3Å; L359-W363 HydrophobicContact CD1-CB 4.49Å; L359-W363 PolarHBondContact N-O 3.2Å; L359-Q365 HydrophobicContact CD1-CB 4.46Å; L359-Q365 HydrophobicContact CD2-CB 4.24Å; L359-Q365 HydrophobicContact CG-CB 4.25Å; L359-F375 HydrophobicContact CD1-CB 3.67Å; L359-F375 HydrophobicContact CD1-CD1 4.48Å; L359-F375 HydrophobicContact CD1-CG 4.23Å
360D88.3Confident92.4Very high75 Ų7566.1 Ų66.140%0.40134%0.34SS..SBendtrans-158.5-166.3176.563.828.3000111.3Q358 N362 W363Q358-D360 WeakPolarHBondContact CG-O 3.5Å; Q358-D360 PolarHBondContact NE2-O 3.03Å; D360-N362 PolarHBondContact O-N 3.3Å; D360-N362 WeakPolarHBondContact OD1-CA 3.45Å; D360-N362 PolarHBondContact OD1-N 2.88Å; D360-W363 PolarHBondContact OD1-N 3.4Å
361E83.1Confident92.4Very high170 Ų17067.4 Ų67.479%0.79435%0.354SS*.SBendtrans-66.9-11.8179.9-60.5-173.9179.500114.7
362N86.2Confident92.4Very high91 Ų9168.9 Ų68.949%0.48736%0.361SS..SBendtrans-119.7-22-173.3-60.7-52.5000113.6D360 P377 I378D360-N362 PolarHBondContact O-N 3.3Å; D360-N362 WeakPolarHBondContact OD1-CA 3.45Å; D360-N362 PolarHBondContact OD1-N 2.88Å; N362-P377 CarbonylContact O-C 3.51Å; N362-P377 WeakPolarHBondContact O-CA 3.48Å; N362-I378 WeakPolarHBondContact O-CG1 3.44Å; N362-I378 PolarHBondContact O-N 3.22Å
363W91.3Very high92.2Very high71 Ų7169 Ų6927%0.26937%0.368SS..EExtended strand (participates in β ladder)trans-125.5129.4-171.1-65.295.9000113.8F337 E344 L359 D360 F375 P377F337-W363 HydrophobicContact CZ-CZ3 4.36Å; E344-W363 HydrophobicContact CG-CZ3 4.47Å; L359-W363 HydrophobicContact CB-CB 4.3Å; L359-W363 HydrophobicContact CD1-CB 4.49Å; L359-W363 PolarHBondContact N-O 3.2Å; D360-W363 PolarHBondContact OD1-N 3.4Å; W363-F375 HydrophobicContact CD2-CD2 4.3Å; W363-F375 HydrophobicContact CE3-CB 4.31Å; W363-F375 AromaticContact CE3-CD2 3.61Å; W363-F375 HydrophobicContact CE3-CD2 3.61Å; W363-F375 HydrophobicContact CE3-CE2 4.49Å; W363-F375 HydrophobicContact CE3-CG 4.44Å; W363-F375 HydrophobicContact CH2-CD2 4.44Å; W363-F375 AromaticContact CZ3-CD2 3.68Å; W363-F375 HydrophobicContact CZ3-CD2 3.68Å; W363-F375 HydrophobicContact CZ3-CE2 4.27Å; W363-P377 HydrophobicContact CE3-CG 4.32Å; W363-P377 HydrophobicContact CH2-CG 3.96Å; W363-P377 HydrophobicContact CZ3-CG 3.82Å
364F96.2Very high92Very high13 Ų1369.2 Ų69.26%0.05737%0.371CS..EExtended strand (participates in β ladder)trans-96.2152.6163-76.9-47000110.5L355 Q358 F375 F376 I378 V381 V383 L387L355-F364 HydrophobicContact CD2-CB 3.85Å; L355-F364 HydrophobicContact CD2-CD1 4.04Å; L355-F364 HydrophobicContact CD2-CD2 3.67Å; L355-F364 HydrophobicContact CD2-CE2 4.23Å; L355-F364 HydrophobicContact CD2-CG 3.6Å; Q358-F364 HydrophobicContact CB-CD1 3.82Å; Q358-F364 HydrophobicContact CB-CE1 3.81Å; Q358-F364 HydrophobicContact CG-CD1 3.97Å; Q358-F364 HydrophobicContact CG-CE1 3.84Å; F364-F375 CarbonylContact O-C 3.44Å; F364-F375 WeakPolarHBondContact O-CA 3.38Å; F364-F375 WeakPolarHBondContact O-CB 3.37Å; F364-F376 HydrophobicContact CB-CD2 4.3Å; F364-F376 HydrophobicContact CB-CE1 4.46Å; F364-F376 HydrophobicContact CB-CE2 3.76Å; F364-F376 HydrophobicContact CB-CZ 3.86Å; F364-F376 HydrophobicContact CD2-CE2 4.18Å; F364-F376 HydrophobicContact CG-CE2 4.48Å; F364-F376 PolarHBondContact N-O 2.99Å; F364-F376 PolarHBondContact O-N 3.05Å; F364-I378 HydrophobicContact CB-CG1 4.48Å; F364-I378 HydrophobicContact CD1-CD1 4.3Å; F364-I378 HydrophobicContact CD1-CG1 4.16Å; F364-I378 HydrophobicContact CD2-CB 4.2Å; F364-I378 HydrophobicContact CD2-CD1 4.47Å; F364-I378 HydrophobicContact CD2-CG1 3.57Å; F364-I378 HydrophobicContact CD2-CG2 4.35Å; F364-I378 HydrophobicContact CE1-CD1 4.12Å; F364-I378 HydrophobicContact CE1-CG1 4.24Å; F364-I378 HydrophobicContact CE2-CB 4.09Å; F364-I378 HydrophobicContact CE2-CD1 4.32Å; F364-I378 HydrophobicContact CE2-CG1 3.69Å; F364-I378 HydrophobicContact CE2-CG2 3.74Å; F364-I378 HydrophobicContact CG-CD1 4.44Å; F364-I378 HydrophobicContact CG-CG1 3.8Å; F364-I378 HydrophobicContact CZ-CD1 4.12Å; F364-I378 HydrophobicContact CZ-CG1 4Å; F364-I378 HydrophobicContact CZ-CG2 4.14Å; F364-V381 HydrophobicContact CD2-CG2 3.95Å; F364-V381 HydrophobicContact CE2-CG2 4.15Å; F364-V383 HydrophobicContact CE2-CG2 3.69Å; F364-V383 HydrophobicContact CZ-CG2 3.89Å; F364-L387 HydrophobicContact CD1-CD1 4.19Å; F364-L387 HydrophobicContact CE1-CD1 4.13Å
365Q94.5Very high91.9Very high65 Ų6565 Ų6530%0.30436%0.356SS..EExtended strand (participates in β ladder)trans-103.9136.2160-170.1-178.87.100109I356 S357 L359 G374I356-Q365 HydrophobicContact CB-CG 4.49Å; I356-Q365 PolarHBondContact N-O 3.13Å; S357-Q365 PolarHBondContact N-O 3.33Å; S357-Q365 PolarHBondContact O-N 2.68Å; S357-Q365 WeakPolarHBondContact OG-CB 3.46Å; S357-Q365 PolarHBondContact OG-OE1 2.92Å; L359-Q365 HydrophobicContact CD1-CB 4.46Å; L359-Q365 HydrophobicContact CD2-CB 4.24Å; L359-Q365 HydrophobicContact CG-CB 4.25Å; Q365-G374 WeakPolarHBondContact CA-O 3.48Å
366G95.4Very high91.9Very high0 Ų064.8 Ų64.80%036%0.355CS..EExtended strand (participates in β ladder)trans-152.3-178.9177.900000113.6R354 S373 G374R354-G366 CarbonylContact O-C 3.58Å; R354-G366 WeakPolarHBondContact O-CA 3.39Å; G366-S373 VanDerWaalsContact O-CA 3.24Å; G366-S373 WeakPolarHBondContact O-CA 3.35Å; G366-S373 WeakPolarHBondContact O-CB 3.49Å; G366-G374 PolarHBondContact N-O 3.15Å; G366-G374 PolarHBondContact O-N 3.23Å; G366-G374 VanDerWaalsContact O-N 3.09Å
367S96.9Very high91.8Very high22 Ų2262.2 Ų62.215%0.15434%0.343CS..EExtended strand (participates in β ladder)trans-136.4138.7177.461.40000111.4R354 Q372R354-S367 PolarHBondContact N-O 3.49Å; R354-S367 PolarHBondContact O-N 3.35Å; S367-Q372 CarbonylContact C-O 3.58Å; S367-Q372 VanDerWaalsContact CA-O 3.24Å; S367-Q372 WeakPolarHBondContact CA-O 3.47Å
368L95.4Very high91.9Very high12 Ų1262.3 Ų62.36%0.06334%0.34CS..  trans-82.3160.6169.5-75.1175.8000111.2L345 G346 F347 I353 N370 G371 Q372L345-L368 HydrophobicContact CD1-CD1 3.94Å; L345-L368 HydrophobicContact CD1-CG 4.05Å; L345-L368 HydrophobicContact CD2-CG 4.18Å; L345-L368 HydrophobicContact CG-CD1 4.38Å; L345-L368 HydrophobicContact CG-CG 4.3Å; G346-L368 WeakPolarHBondContact O-CD1 3.47Å; F347-L368 HydrophobicContact CB-CD2 4.44Å; I353-L368 HydrophobicContact CG1-CD2 3.86Å; L368-N370 WeakPolarHBondContact CB-OD1 3.41Å; L368-N370 PolarHBondContact O-N 3.06Å; L368-N370 VanDerWaalsContact O-N 3.12Å; L368-G371 PolarHBondContact O-N 3.47Å; L368-G371 VanDerWaalsContact O-N 3.07Å; L368-Q372 PolarHBondContact N-O 3.33Å
369P90Very high91.9Very high126 Ų12660.3 Ų60.382%0.81834%0.335SS*.THydrogen-bonded Turntrans-60-20.2176.5-2534.8000114.9G371P369-G371 PolarHBondContact O-N 3.42Å
370N89.1Confident92.4Very high101 Ų10159.9 Ų59.954%0.5433%0.328SS..THydrogen-bonded Turntrans-82.27.617766.8-1.4000113.5L368 Q372L368-N370 WeakPolarHBondContact CB-OD1 3.41Å; L368-N370 PolarHBondContact O-N 3.06Å; L368-N370 VanDerWaalsContact O-N 3.12Å; N370-Q372 VanDerWaalsContact C-N 3.27Å; N370-Q372 PolarHBondContact ND2-NE2 2.79Å; N370-Q372 PolarHBondContact O-N 3.44Å; N370-Q372 WeakPolarHBondContact OD1-CB 3.44Å; N370-Q372 WeakPolarHBondContact OD1-CG 3.44Å; N370-Q372 PolarHBondContact OD1-N 2.87Å
371G89.3Confident92.6Very high61 Ų6156.9 Ų56.963%0.62931%0.312SS*.SBendtrans83.5-7.6179.700000114.7L368 P369 S373L368-G371 PolarHBondContact O-N 3.47Å; L368-G371 VanDerWaalsContact O-N 3.07Å; P369-G371 PolarHBondContact O-N 3.42Å; G371-S373 PolarHBondContact O-N 3.41Å
372Q92.5Very high93.2Very high109 Ų10953.8 Ų53.851%0.50930%0.298SS..  trans-67.3136.4174-65-178.413.800109.8L345 S367 L368 N370L345-Q372 HydrophobicContact CD1-CB 3.79Å; S367-Q372 CarbonylContact C-O 3.58Å; S367-Q372 VanDerWaalsContact CA-O 3.24Å; S367-Q372 WeakPolarHBondContact CA-O 3.47Å; L368-Q372 PolarHBondContact N-O 3.33Å; N370-Q372 VanDerWaalsContact C-N 3.27Å; N370-Q372 PolarHBondContact ND2-NE2 2.79Å; N370-Q372 PolarHBondContact O-N 3.44Å; N370-Q372 WeakPolarHBondContact OD1-CB 3.44Å; N370-Q372 WeakPolarHBondContact OD1-CG 3.44Å; N370-Q372 PolarHBondContact OD1-N 2.87Å
373S93.9Very high93.7Very high75 Ų7552.4 Ų52.452%0.52429%0.293SS..EExtended strand (participates in β ladder)trans-136.6153.4177.962.70000110.3G366 G371G366-S373 VanDerWaalsContact O-CA 3.24Å; G366-S373 WeakPolarHBondContact O-CA 3.35Å; G366-S373 WeakPolarHBondContact O-CB 3.49Å; G371-S373 PolarHBondContact O-N 3.41Å
374G93.1Very high93.9Very high6 Ų653.2 Ų53.26%0.06230%0.302CS..EExtended strand (participates in β ladder)trans171.6-174.4-176.500000111G343 Q365 G366G343-G374 CarbonylContact O-C 3.58Å; G343-G374 WeakPolarHBondContact O-CA 3.44Å; Q365-G374 WeakPolarHBondContact CA-O 3.48Å; G366-G374 PolarHBondContact N-O 3.15Å; G366-G374 PolarHBondContact O-N 3.23Å; G366-G374 VanDerWaalsContact O-N 3.09Å
375F94.2Very high93.8Very high60 Ų6055.2 Ų55.226%0.26332%0.315SS..EExtended strand (participates in β ladder)trans-103.5153178.152.6-92000112.4G343 E344 L345 L359 W363 F364G343-F375 WeakPolarHBondContact O-CD1 3.41Å; G343-F375 VanDerWaalsContact O-CE1 3.24Å; G343-F375 WeakPolarHBondContact O-CE1 3.45Å; G343-F375 PolarHBondContact O-N 3.5Å; E344-F375 VanDerWaalsContact CA-O 3.29Å; E344-F375 WeakPolarHBondContact CA-O 3.21Å; E344-F375 HydrophobicContact CB-CE2 4.34Å; E344-F375 HydrophobicContact CG-CD2 3.7Å; E344-F375 HydrophobicContact CG-CE2 3.21Å; E344-F375 HydrophobicContact CG-CZ 3.8Å; L345-F375 PolarHBondContact N-O 3.26Å; L359-F375 HydrophobicContact CD1-CB 3.67Å; L359-F375 HydrophobicContact CD1-CD1 4.48Å; L359-F375 HydrophobicContact CD1-CG 4.23Å; W363-F375 HydrophobicContact CD2-CD2 4.3Å; W363-F375 HydrophobicContact CE3-CB 4.31Å; W363-F375 AromaticContact CE3-CD2 3.61Å; W363-F375 HydrophobicContact CE3-CD2 3.61Å; W363-F375 HydrophobicContact CE3-CE2 4.49Å; W363-F375 HydrophobicContact CE3-CG 4.44Å; W363-F375 HydrophobicContact CH2-CD2 4.44Å; W363-F375 AromaticContact CZ3-CD2 3.68Å; W363-F375 HydrophobicContact CZ3-CD2 3.68Å; W363-F375 HydrophobicContact CZ3-CE2 4.27Å; F364-F375 CarbonylContact O-C 3.44Å; F364-F375 WeakPolarHBondContact O-CA 3.38Å; F364-F375 WeakPolarHBondContact O-CB 3.37Å
376F94.8Very high93.7Very high0 Ų056.5 Ų56.50%033%0.329CS..EExtended strand (participates in β ladder)trans-154.3157.4-179.853.2-90.6000112F337 L345 F347 I353 L355 F364 I378 V381F337-F376 HydrophobicContact CD1-CB 4.22Å; F337-F376 HydrophobicContact CE1-CB 4.15Å; L345-F376 HydrophobicContact CB-CD1 4.13Å; L345-F376 HydrophobicContact CD2-CD1 3.99Å; L345-F376 HydrophobicContact CD2-CE1 3.97Å; F347-F376 HydrophobicContact CE1-CB 3.5Å; F347-F376 VanDerWaalsContact CE1-CB 3.5Å; F347-F376 HydrophobicContact CE1-CD1 4.15Å; F347-F376 AromaticContact CE1-CD2 3.97Å; F347-F376 HydrophobicContact CE1-CD2 3.97Å; F347-F376 AromaticContact CE1-CG 3.61Å; F347-F376 HydrophobicContact CE1-CG 3.61Å; F347-F376 HydrophobicContact CZ-CB 4.07Å; F347-F376 HydrophobicContact CZ-CD2 4.19Å; F347-F376 HydrophobicContact CZ-CG 4.23Å; I353-F376 HydrophobicContact CB-CZ 4.3Å; I353-F376 HydrophobicContact CD1-CE1 4.44Å; I353-F376 HydrophobicContact CD1-CE2 4.29Å; I353-F376 HydrophobicContact CD1-CZ 4.17Å; I353-F376 HydrophobicContact CG2-CE1 3.64Å; I353-F376 HydrophobicContact CG2-CZ 3.67Å; L355-F376 HydrophobicContact CD2-CE2 4.48Å; L355-F376 HydrophobicContact CD2-CZ 4.03Å; F364-F376 HydrophobicContact CB-CD2 4.3Å; F364-F376 HydrophobicContact CB-CE1 4.46Å; F364-F376 HydrophobicContact CB-CE2 3.76Å; F364-F376 HydrophobicContact CB-CZ 3.86Å; F364-F376 HydrophobicContact CD2-CE2 4.18Å; F364-F376 HydrophobicContact CG-CE2 4.48Å; F364-F376 PolarHBondContact N-O 2.99Å; F364-F376 PolarHBondContact O-N 3.05Å; F376-I378 PolarHBondContact O-N 3.33Å; F376-V381 HydrophobicContact CD2-CG1 3.84Å; F376-V381 HydrophobicContact CD2-CG2 4.48Å; F376-V381 HydrophobicContact CE2-CB 4.44Å; F376-V381 HydrophobicContact CE2-CG1 3.66Å; F376-V381 HydrophobicContact CE2-CG2 3.99Å
377P93.6Very high93.5Very high17 Ų1758.5 Ų58.511%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-66.5134.1-176.4-20.633000112.2F337 N362 W363 T379 Y380F337-P377 HydrophobicContact CD2-CG 4.36Å; F337-P377 HydrophobicContact CE2-CG 3.79Å; F337-P377 HydrophobicContact CZ-CG 4.14Å; N362-P377 CarbonylContact O-C 3.51Å; N362-P377 WeakPolarHBondContact O-CA 3.48Å; W363-P377 HydrophobicContact CE3-CG 4.32Å; W363-P377 HydrophobicContact CH2-CG 3.96Å; W363-P377 HydrophobicContact CZ3-CG 3.82Å; P377-T379 PolarHBondContact O-N 2.96Å; P377-Y380 HydrophobicContact CB-CD2 3.84Å; P377-Y380 HydrophobicContact CB-CE2 4.5Å; P377-Y380 HydrophobicContact CB-CG 4.43Å; P377-Y380 HydrophobicContact CG-CD2 4.12Å; P377-Y380 HydrophobicContact CG-CE2 4.49Å; P377-Y380 PolarHBondContact O-N 3.41Å; P377-Y380 VanDerWaalsContact O-N 3.1Å
378I94.3Very high93Very high38 Ų3862.4 Ų62.420%0.19536%0.364CS..G310 helixtrans-58.5-33.6176.1-65.7177.4000110.9Q358 N362 F364 F376 Y380 V381Q358-I378 HydrophobicContact CG-CD1 4.11Å; N362-I378 WeakPolarHBondContact O-CG1 3.44Å; N362-I378 PolarHBondContact O-N 3.22Å; F364-I378 HydrophobicContact CB-CG1 4.48Å; F364-I378 HydrophobicContact CD1-CD1 4.3Å; F364-I378 HydrophobicContact CD1-CG1 4.16Å; F364-I378 HydrophobicContact CD2-CB 4.2Å; F364-I378 HydrophobicContact CD2-CD1 4.47Å; F364-I378 HydrophobicContact CD2-CG1 3.57Å; F364-I378 HydrophobicContact CD2-CG2 4.35Å; F364-I378 HydrophobicContact CE1-CD1 4.12Å; F364-I378 HydrophobicContact CE1-CG1 4.24Å; F364-I378 HydrophobicContact CE2-CB 4.09Å; F364-I378 HydrophobicContact CE2-CD1 4.32Å; F364-I378 HydrophobicContact CE2-CG1 3.69Å; F364-I378 HydrophobicContact CE2-CG2 3.74Å; F364-I378 HydrophobicContact CG-CD1 4.44Å; F364-I378 HydrophobicContact CG-CG1 3.8Å; F364-I378 HydrophobicContact CZ-CD1 4.12Å; F364-I378 HydrophobicContact CZ-CG1 4Å; F364-I378 HydrophobicContact CZ-CG2 4.14Å; F376-I378 PolarHBondContact O-N 3.33Å; I378-Y380 PolarHBondContact O-N 3.33Å; I378-V381 WeakPolarHBondContact O-CG2 3.23Å; I378-V381 PolarHBondContact O-N 2.97Å
379T93.9Very high91.9Very high64 Ų6467.6 Ų67.639%0.39340%0.402SS..G310 helixtrans-68.9-16.1-17951.90000114A63 P377 V381A63-T379 HydrophobicContact CB-CG2 4.26Å; P377-T379 PolarHBondContact O-N 2.96Å; T379-V381 VanDerWaalsContact C-N 3.35Å
380Y95Very high90.1Very high81 Ų8174.2 Ų74.232%0.31842%0.422SS..G310 helixtrans-88.8-3.6-179.3-86.5-120.8000113.3L334 Y335 D336 F337 P377 I378L334-Y380 WeakPolarHBondContact CB-O 3.48Å; L334-Y380 PolarHBondContact N-O 3.32Å; Y335-Y380 HydrophobicContact CD2-CD1 4.25Å; Y335-Y380 HydrophobicContact CD2-CG 4.31Å; D336-Y380 WeakPolarHBondContact O-CE1 3.49Å; F337-Y380 HydrophobicContact CB-CD1 4.01Å; F337-Y380 HydrophobicContact CB-CE1 4.42Å; F337-Y380 AromaticContact CD2-CD1 3.95Å; F337-Y380 HydrophobicContact CD2-CD1 3.95Å; F337-Y380 AromaticContact CD2-CE1 3.9Å; F337-Y380 HydrophobicContact CD2-CE1 3.9Å; F337-Y380 HydrophobicContact CG-CD1 4.37Å; P377-Y380 HydrophobicContact CB-CD2 3.84Å; P377-Y380 HydrophobicContact CB-CE2 4.5Å; P377-Y380 HydrophobicContact CB-CG 4.43Å; P377-Y380 HydrophobicContact CG-CD2 4.12Å; P377-Y380 HydrophobicContact CG-CE2 4.49Å; P377-Y380 PolarHBondContact O-N 3.41Å; P377-Y380 VanDerWaalsContact O-N 3.1Å; I378-Y380 PolarHBondContact O-N 3.33Å
381V92.6Very high90.1Very high12 Ų1272.9 Ų72.97%0.07342%0.416CS..EExtended strand (participates in β ladder)trans-132.5152.6-172.9-59.20000111.9C331 K332 F347 I353 F364 F376 I378 T379C331-V381 HydrophobicContact CB-CB 3.97Å; C331-V381 HydrophobicContact CB-CG2 4.05Å; K332-V381 CarbonylContact O-C 3.56Å; K332-V381 VanDerWaalsContact O-CA 3.26Å; K332-V381 WeakPolarHBondContact O-CA 3.37Å; F347-V381 HydrophobicContact CE2-CG1 4.44Å; F347-V381 HydrophobicContact CZ-CG1 4.1Å; I353-V381 HydrophobicContact CD1-CG1 4.15Å; F364-V381 HydrophobicContact CD2-CG2 3.95Å; F364-V381 HydrophobicContact CE2-CG2 4.15Å; F376-V381 HydrophobicContact CD2-CG1 3.84Å; F376-V381 HydrophobicContact CD2-CG2 4.48Å; F376-V381 HydrophobicContact CE2-CB 4.44Å; F376-V381 HydrophobicContact CE2-CG1 3.66Å; F376-V381 HydrophobicContact CE2-CG2 3.99Å; I378-V381 WeakPolarHBondContact O-CG2 3.23Å; I378-V381 PolarHBondContact O-N 2.97Å; T379-V381 VanDerWaalsContact C-N 3.35Å
382Q95.9Very high90.2Very high106 Ų10673.5 Ų73.550%0.49541%0.405SS..EExtended strand (participates in β ladder)trans-102.2116.9166.2-178.8-179.221.400108.7C331 K332 L334 L384C331-Q382 CarbonylContact C-O 3.59Å; C331-Q382 WeakPolarHBondContact CA-O 3.41Å; C331-Q382 VanDerWaalsContact CB-O 3.26Å; C331-Q382 WeakPolarHBondContact CB-O 3.47Å; K332-Q382 PolarHBondContact N-O 3.39Å; K332-Q382 PolarHBondContact O-N 3.02Å; L334-Q382 HydrophobicContact CD1-CB 4.35Å; L334-Q382 HydrophobicContact CD2-CB 4Å; L334-Q382 HydrophobicContact CG-CB 4.19Å; Q382-L384 PolarHBondContact O-N 3.5Å
383V94.9Very high90Very high61 Ų6171.6 Ų71.637%0.3740%0.399SS..EExtended strand (participates in β ladder)trans-65.1124173.9179.50000109.2L355 F364 P386L355-V383 HydrophobicContact CD1-CG1 4.17Å; L355-V383 HydrophobicContact CD1-CG2 4.36Å; F364-V383 HydrophobicContact CE2-CG2 3.69Å; F364-V383 HydrophobicContact CZ-CG2 3.89Å; V383-P386 HydrophobicContact CG1-CB 4.1Å
384L95.4Very high89.8Confident88 Ų8871.4 Ų71.446%0.46139%0.391SS..EExtended strand (participates in β ladder)trans-97.4-45.2176.7-61.3-175.6000110.5C330 K332 I352 Q382C330-L384 PolarHBondContact O-N 3.13Å; K332-L384 HydrophobicContact CB-CD1 4.14Å; K332-L384 HydrophobicContact CB-CD2 4.43Å; K332-L384 HydrophobicContact CB-CG 4.29Å; I352-L384 HydrophobicContact CD1-CD1 3.84Å; Q382-L384 PolarHBondContact O-N 3.5Å
385V94.6Very high89.6Confident56 Ų5675.4 Ų75.434%0.33941%0.412SS..EExtended strand (participates in β ladder)trans-128.7115.1174.1-177.20000107.2P329 C330P329-V385 CarbonylContact C-O 3.51Å; P329-V385 VanDerWaalsContact CA-O 3.27Å; P329-V385 WeakPolarHBondContact CA-O 3.46Å; C330-V385 PolarHBondContact N-O 3.16Å; C330-V385 PolarHBondContact O-N 3.18Å
386P92Very high89.3Confident91 Ų9176.5 Ų76.559%0.59142%0.422SS*.PPolyproline II helixtrans-69158.5-17628.3-34000112.1V383V383-P386 HydrophobicContact CG1-CB 4.1Å
387L91.3Very high88.9Confident42 Ų4281.9 Ų81.922%0.2245%0.452CS..PPolyproline II helixtrans-61.9147.1167.2-72.5162.1000109.8P329 L355 I356 Q358 F364 S389P329-L387 HydrophobicContact CB-CD2 3.81Å; P329-L387 HydrophobicContact CB-CG 4.26Å; P329-L387 HydrophobicContact CG-CD2 4.2Å; L355-L387 HydrophobicContact CB-CD1 4.48Å; L355-L387 HydrophobicContact CB-CD2 3.93Å; L355-L387 HydrophobicContact CB-CG 4.03Å; I356-L387 WeakPolarHBondContact O-CD2 3.49Å; Q358-L387 HydrophobicContact CB-CD1 4.03Å; F364-L387 HydrophobicContact CD1-CD1 4.19Å; F364-L387 HydrophobicContact CE1-CD1 4.13Å; L387-S389 PolarHBondContact O-N 3.12Å
388P87.2Confident88.5Confident104 Ų10486.9 Ų86.968%0.67548%0.478SS*.PPolyproline II helixtrans-58.2130173.7-15.828.8000109.3P329 Q390P329-P388 HydrophobicContact CG-CG 4.5Å; P388-Q390 PolarHBondContact O-N 3.25Å
389S73Confident88Confident121 Ų12191 Ų9185%0.84650%0.502SS*.PPolyproline II helixtrans-58.8121.9172.344.90000109.7L387L387-S389 PolarHBondContact O-N 3.12Å
390Q50.6Low87.5Confident266 Ų26693.5 Ų93.5100%1.24351%0.512SS*.  trans-720169.2-78.1-170.9-9.900112P388P388-Q390 PolarHBondContact O-N 3.25Å

Retrieved 390 of 390 residues in 155.8 ms (Link to these results)

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