A0A5K4FE44_SCHMA Loading...

ALIX_LYPXL_bnd domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 176 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
1M29.7Very low35.3Very low175 Ų17599.2 Ų99.286%0.86251%0.514SS*.  0120.20-77.7176.1113.900109.1
2R25.3Very low35.4Very low170 Ų170102.3 Ų102.364%0.64253%0.529SS*.  trans-66.5144.3168.8-70.8177.1178.8-176.4-1.4109.6G6R2-G6 WeakPolarHBondContact CD-O 3.38Å
3N33.5Very low35.8Very low72 Ų72101.3 Ų101.339%0.38552%0.524SS..  trans-69.5176.6170.873.45.1000110S5 G6 E7N3-S5 PolarHBondContact ND2-OG 3.02Å; N3-S5 PolarHBondContact O-N 3.09Å; N3-S5 PolarHBondContact OD1-N 3.34Å; N3-S5 PolarHBondContact OD1-OG 3.37Å; N3-G6 PolarHBondContact O-N 3.49Å; N3-G6 PolarHBondContact OD1-N 2.9Å; N3-E7 VanDerWaalsContact CG-O 3.29Å; N3-E7 PolarHBondContact N-O 3.16Å; N3-E7 VanDerWaalsContact N-O 3.14Å; N3-E7 PolarHBondContact OD1-N 3.46Å; N3-E7 PolarHBondContact OD1-O 2.67Å; N3-E7 VanDerWaalsContact OD1-O 3.12Å
4K41.9Very low36.5Very low224 Ų22494.3 Ų94.397%0.97449%0.488SS*.THydrogen-bonded Turntrans-60.5-14.6-179-67.9-177.7179.5177.30114.4
5S41Very low37.2Very low74 Ų7493.9 Ų93.952%0.51749%0.486SS..THydrogen-bonded Turntrans-91.70.4172.752.70000113.5N3 E7N3-S5 PolarHBondContact ND2-OG 3.02Å; N3-S5 PolarHBondContact O-N 3.09Å; N3-S5 PolarHBondContact OD1-N 3.34Å; N3-S5 PolarHBondContact OD1-OG 3.37Å; S5-E7 PolarHBondContact O-N 3.05Å; S5-E7 PolarHBondContact OG-OE2 2.92Å
6G30.7Very low37.8Very low37 Ų3790.5 Ų90.538%0.38148%0.481SS..SBendtrans76.42-173.500000112.9R2 N3R2-G6 WeakPolarHBondContact CD-O 3.38Å; N3-G6 PolarHBondContact O-N 3.49Å; N3-G6 PolarHBondContact OD1-N 2.9Å
7E31.8Very low38.5Very low125 Ų12590.7 Ų90.758%0.58448%0.482SS*.  trans-86.9147.9-178.7-69.4168.6162.900110.8N3 S5N3-E7 VanDerWaalsContact CG-O 3.29Å; N3-E7 PolarHBondContact N-O 3.16Å; N3-E7 VanDerWaalsContact N-O 3.14Å; N3-E7 PolarHBondContact OD1-N 3.46Å; N3-E7 PolarHBondContact OD1-O 2.67Å; N3-E7 VanDerWaalsContact OD1-O 3.12Å; S5-E7 PolarHBondContact O-N 3.05Å; S5-E7 PolarHBondContact OG-OE2 2.92Å
8Y37.7Very low39.1Very low78 Ų7887.2 Ų87.231%0.30646%0.463SS..  trans-79.8115.6177.8-87.3-36.9000107.7S10 F132 N133 N136Y8-S10 PolarHBondContact O-N 3.23Å; Y8-F132 VanDerWaalsContact CB-CE2 3.4Å; Y8-F132 AromaticContact CD1-CD1 2.95Å; Y8-F132 HydrophobicContact CD1-CD1 2.95Å; Y8-F132 AromaticContact CD1-CE1 2.89Å; Y8-F132 HydrophobicContact CD1-CE1 2.89Å; Y8-F132 AromaticContact CD1-CG 3.99Å; Y8-F132 HydrophobicContact CD1-CG 3.99Å; Y8-F132 AromaticContact CD1-CZ 3.89Å; Y8-F132 HydrophobicContact CD1-CZ 3.89Å; Y8-F132 HydrophobicContact CD2-CB 4.46Å; Y8-F132 AromaticContact CD2-CD1 3.6Å; Y8-F132 HydrophobicContact CD2-CD1 3.6Å; Y8-F132 HydrophobicContact CD2-CE1 4.18Å; Y8-F132 AromaticContact CD2-CG 3.84Å; Y8-F132 HydrophobicContact CD2-CG 3.84Å; Y8-F132 AromaticContact CE1-CD1 3.39Å; Y8-F132 HydrophobicContact CE1-CD1 3.39Å; Y8-F132 AromaticContact CE1-CE1 3.71Å; Y8-F132 HydrophobicContact CE1-CE1 3.71Å; Y8-F132 HydrophobicContact CE1-CG 4.47Å; Y8-F132 HydrophobicContact CE2-CD1 4.04Å; Y8-F132 HydrophobicContact CE2-CG 4.42Å; Y8-F132 AromaticContact CG-CD1 3.01Å; Y8-F132 HydrophobicContact CG-CD1 3.01Å; Y8-F132 HydrophobicContact CG-CD2 4.12Å; Y8-F132 AromaticContact CG-CE1 3.14Å; Y8-F132 HydrophobicContact CG-CE1 3.14Å; Y8-F132 HydrophobicContact CG-CE2 4.22Å; Y8-F132 AromaticContact CG-CG 3.57Å; Y8-F132 HydrophobicContact CG-CG 3.57Å; Y8-F132 AromaticContact CG-CZ 3.79Å; Y8-F132 HydrophobicContact CG-CZ 3.79Å; Y8-F132 AromaticContact CZ-CD1 3.91Å; Y8-N133 PolarHBondContact OH-OD1 3.44Å; Y8-N136 WeakPolarHBondContact CE1-ND2 3.43Å
9P40.7Very low39.9Very low27 Ų2787.7 Ų87.718%0.17547%0.47CS..  trans-55.4127.5-177.6-13.315.7000111.3I13 I14 F132P9-I13 HydrophobicContact CB-CB 4.24Å; P9-I13 HydrophobicContact CB-CD1 4.47Å; P9-I13 HydrophobicContact CB-CG2 4.1Å; P9-I14 HydrophobicContact CB-CG1 4.39Å; P9-F132 VanDerWaalsContact N-CZ 3.35Å; P9-F132 WeakPolarHBondContact O-CE2 3.33Å; P9-F132 WeakPolarHBondContact O-CZ 3.45Å
10S37.3Very low40.7Very low59 Ų5987.8 Ų87.841%0.41347%0.467SS..  trans-52.9147.5-178.765.60000111.7Y8 I12 I13 I14Y8-S10 PolarHBondContact O-N 3.23Å; S10-I12 PolarHBondContact O-N 3.48Å; S10-I13 WeakPolarHBondContact O-CA 3.43Å; S10-I13 WeakPolarHBondContact O-CB 3.38Å; S10-I13 PolarHBondContact O-N 2.95Å; S10-I13 WeakPolarHBondContact OG-CG1 3.43Å; S10-I14 PolarHBondContact O-N 3.44Å
11A39.1Very low41.2Very low50 Ų5085.4 Ų85.441%0.41346%0.456SS..Hα-helixtrans-51.2-28.1-179.400000113.2I14 L15 L135A11-I14 PolarHBondContact O-N 3.26Å; A11-L15 WeakPolarHBondContact O-CG 3.31Å; A11-L15 PolarHBondContact O-N 2.91Å; A11-L135 HydrophobicContact CB-CD1 4.42Å
12I35.6Very low42.1Very low136 Ų13678.2 Ų78.270%0.69742%0.421SS*.Hα-helixtrans-65.2-41.9174.3-63.1172.8000112.1S10 I14 G16S10-I12 PolarHBondContact O-N 3.48Å; I12-I14 VanDerWaalsContact C-N 3.33Å; I12-G16 PolarHBondContact O-N 2.96Å
13I40.9Very low43.4Very low90 Ų9076.1 Ų76.146%0.46242%0.416SS..Hα-helixtrans-65.3-42176-64.6170.6000109.6P9 S10 G16 D17P9-I13 HydrophobicContact CB-CB 4.24Å; P9-I13 HydrophobicContact CB-CD1 4.47Å; P9-I13 HydrophobicContact CB-CG2 4.1Å; S10-I13 WeakPolarHBondContact O-CA 3.43Å; S10-I13 WeakPolarHBondContact O-CB 3.38Å; S10-I13 PolarHBondContact O-N 2.95Å; S10-I13 WeakPolarHBondContact OG-CG1 3.43Å; I13-G16 PolarHBondContact O-N 3.25Å; I13-G16 VanDerWaalsContact O-N 3.16Å; I13-D17 PolarHBondContact O-N 2.97Å
14I46.3Very low44.4Very low3 Ų376.2 Ų76.22%0.01541%0.414CS..Hα-helixtrans-61.5-46.6178.9-57.8-173.1000111.4P9 S10 A11 I12 G16 D17 L18 F132 L135 L139P9-I14 HydrophobicContact CB-CG1 4.39Å; S10-I14 PolarHBondContact O-N 3.44Å; A11-I14 PolarHBondContact O-N 3.26Å; I12-I14 VanDerWaalsContact C-N 3.33Å; I14-G16 VanDerWaalsContact C-N 3.31Å; I14-G16 PolarHBondContact O-N 3.47Å; I14-D17 PolarHBondContact O-N 2.86Å; I14-L18 HydrophobicContact CG2-CD1 4.4Å; I14-L18 PolarHBondContact O-N 3.48Å; I14-L18 VanDerWaalsContact O-N 3.12Å; I14-F132 HydrophobicContact CD1-CE2 4.44Å; I14-F132 HydrophobicContact CD1-CZ 4.15Å; I14-L135 HydrophobicContact CD1-CB 3.91Å; I14-L135 HydrophobicContact CD1-CD2 4.23Å; I14-L135 HydrophobicContact CD1-CG 4.48Å; I14-L135 HydrophobicContact CG2-CD2 3.91Å; I14-L139 HydrophobicContact CB-CD1 4.28Å; I14-L139 HydrophobicContact CD1-CD1 3.76Å; I14-L139 HydrophobicContact CG1-CD1 3.78Å; I14-L139 HydrophobicContact CG2-CD1 3.79Å; I14-L139 HydrophobicContact CG2-CD2 3.91Å; I14-L139 HydrophobicContact CG2-CG 3.8Å
15L46.7Very low44.8Very low89 Ų8965.9 Ų65.947%0.46637%0.37SS..Hα-helixtrans-63.7-37.6174.5-74.1168.3000111.9A11 L18 V19 I48A11-L15 WeakPolarHBondContact O-CG 3.31Å; A11-L15 PolarHBondContact O-N 2.91Å; L15-L18 PolarHBondContact O-N 3.48Å; L15-V19 WeakPolarHBondContact O-CB 3.47Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.43Å; L15-V19 PolarHBondContact O-N 2.98Å; L15-I48 HydrophobicContact CD2-CD1 4.35Å
16G46Very low45.1Very low39 Ų3969.8 Ų69.840%0.40237%0.374SS..Hα-helixtrans-60.2-45.4176.100000112.9I12 I13 I14 Q20I12-G16 PolarHBondContact O-N 2.96Å; I13-G16 PolarHBondContact O-N 3.25Å; I13-G16 VanDerWaalsContact O-N 3.16Å; I14-G16 VanDerWaalsContact C-N 3.31Å; I14-G16 PolarHBondContact O-N 3.47Å; G16-Q20 PolarHBondContact O-N 3.36Å; G16-Q20 VanDerWaalsContact O-N 3.11Å
17D50.6Low46.3Very low94 Ų9473.9 Ų73.950%0.50339%0.387SS..Hα-helixtrans-65.8-44.1177.7-70.6-12.3000111.1I13 I14 V19 Q20 T21I13-D17 PolarHBondContact O-N 2.97Å; I14-D17 PolarHBondContact O-N 2.86Å; D17-V19 PolarHBondContact O-N 3.34Å; D17-Q20 WeakPolarHBondContact O-CB 3.47Å; D17-Q20 PolarHBondContact O-N 2.82Å; D17-Q20 VanDerWaalsContact O-N 3.14Å; D17-T21 PolarHBondContact O-N 3.34Å; D17-T21 PolarHBondContact O-OG1 3.41Å
18L49.2Very low47.6Very low27 Ų2771.2 Ų71.214%0.14138%0.379CS..Hα-helixtrans-58.8-45.5176.3-110.8144.6000112.9I14 L15 Q20 T21 E22 V41 L44 L142I14-L18 HydrophobicContact CG2-CD1 4.4Å; I14-L18 PolarHBondContact O-N 3.48Å; I14-L18 VanDerWaalsContact O-N 3.12Å; L15-L18 PolarHBondContact O-N 3.48Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.19Å; L18-T21 PolarHBondContact O-N 2.95Å; L18-E22 WeakPolarHBondContact O-CB 3.49Å; L18-E22 PolarHBondContact O-N 3.35Å; L18-V41 HydrophobicContact CD2-CG2 4.31Å; L18-L44 HydrophobicContact CD1-CD1 3.63Å; L18-L44 HydrophobicContact CD2-CD1 3.56Å; L18-L44 HydrophobicContact CG-CD1 4.24Å; L18-L142 HydrophobicContact CD1-CD1 3.76Å; L18-L142 HydrophobicContact CD2-CD1 3.76Å; L18-L142 HydrophobicContact CG-CD1 3.63Å
19V54.9Low48.4Very low98 Ų9871.6 Ų71.659%0.59439%0.393SS*.Hα-helixtrans-62.2-37.7176.5168.20000111L15 D17 K23L15-V19 WeakPolarHBondContact O-CB 3.47Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.43Å; L15-V19 PolarHBondContact O-N 2.98Å; D17-V19 PolarHBondContact O-N 3.34Å; V19-K23 WeakPolarHBondContact O-CB 3.4Å; V19-K23 PolarHBondContact O-N 3.44Å
20Q54.4Low49.3Very low88 Ų8872.5 Ų72.541%0.41140%0.397SS..Hα-helixtrans-69.3-42.7177.7-177.158.528.400111.7G16 D17 L18 K23 E24G16-Q20 PolarHBondContact O-N 3.36Å; G16-Q20 VanDerWaalsContact O-N 3.11Å; D17-Q20 WeakPolarHBondContact O-CB 3.47Å; D17-Q20 PolarHBondContact O-N 2.82Å; D17-Q20 VanDerWaalsContact O-N 3.14Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.19Å; Q20-K23 WeakPolarHBondContact O-CB 3.35Å; Q20-K23 PolarHBondContact O-N 2.94Å; Q20-E24 PolarHBondContact NE2-OE1 3.02Å; Q20-E24 WeakPolarHBondContact O-CG 3.48Å; Q20-E24 PolarHBondContact O-N 3.33Å
21T52.9Low50.4Low39 Ų3973.8 Ų73.824%0.23941%0.405CS..Hα-helixtrans-62.2-43.6174.9-56.70000112.1D17 L18 K23 E24 A25D17-T21 PolarHBondContact O-N 3.34Å; D17-T21 PolarHBondContact O-OG1 3.41Å; L18-T21 PolarHBondContact O-N 2.95Å; T21-K23 VanDerWaalsContact C-N 3.33Å; T21-K23 PolarHBondContact O-N 3.07Å; T21-E24 PolarHBondContact O-N 3.11Å; T21-A25 WeakPolarHBondContact O-CB 3.3Å; T21-A25 PolarHBondContact O-N 3.02Å
22E48.7Very low51.4Low24 Ų2477.5 Ų77.511%0.11242%0.419CS..Hα-helixtrans-60.8-43174.3171.154.8-157.500111.3L18 E24 A25 R26L18-E22 WeakPolarHBondContact O-CB 3.49Å; L18-E22 PolarHBondContact O-N 3.35Å; E22-E24 VanDerWaalsContact C-N 3.32Å; E22-E24 PolarHBondContact O-N 3.02Å; E22-A25 PolarHBondContact O-N 2.98Å; E22-R26 WeakPolarHBondContact O-CG 3.02Å; E22-R26 PolarHBondContact O-N 2.94Å; E22-R26 IonicContact OE1-CZ 3.47Å; E22-R26 IonicContact OE1-NE 3.62Å; E22-R26 PolarHBondContact OE1-NE 3.4Å; E22-R26 IonicContact OE1-NH2 2.86Å; E22-R26 PolarHBondContact OE1-NH2 3.02Å
23K51.5Low52.1Low125 Ų12573.3 Ų73.354%0.54340%0.395SS..Hα-helixtrans-61.7-39176-172.8-179.9179.3-175.50112.3V19 Q20 T21 N27V19-K23 WeakPolarHBondContact O-CB 3.4Å; V19-K23 PolarHBondContact O-N 3.44Å; Q20-K23 WeakPolarHBondContact O-CB 3.35Å; Q20-K23 PolarHBondContact O-N 2.94Å; T21-K23 VanDerWaalsContact C-N 3.33Å; T21-K23 PolarHBondContact O-N 3.07Å; K23-N27 PolarHBondContact O-ND2 3.36Å
24E55.4Low52.6Low75 Ų7573 Ų7335%0.3539%0.388SS..Hα-helixtrans-69.3-41.4176.4-74.1171.6-164.700112Q20 T21 E22 R26 N27Q20-E24 PolarHBondContact NE2-OE1 3.02Å; Q20-E24 WeakPolarHBondContact O-CG 3.48Å; Q20-E24 PolarHBondContact O-N 3.33Å; T21-E24 PolarHBondContact O-N 3.11Å; E22-E24 VanDerWaalsContact C-N 3.32Å; E22-E24 PolarHBondContact O-N 3.02Å; E24-R26 VanDerWaalsContact C-N 3.34Å; E24-R26 PolarHBondContact O-N 3.48Å; E24-N27 WeakPolarHBondContact O-CB 3.34Å; E24-N27 PolarHBondContact O-N 2.95Å; E24-N27 VanDerWaalsContact O-N 3.08Å
25A48.6Very low53.2Low6 Ų673.9 Ų73.95%0.0540%0.398CS..Hα-helixtrans-63.1-39.7177.500000112.6T21 E22 N27 T28 L37T21-A25 WeakPolarHBondContact O-CB 3.3Å; T21-A25 PolarHBondContact O-N 3.02Å; E22-A25 PolarHBondContact O-N 2.98Å; A25-N27 PolarHBondContact O-N 3.4Å; A25-N27 VanDerWaalsContact O-N 3.15Å; A25-T28 PolarHBondContact O-N 2.95Å; A25-T28 PolarHBondContact O-OG1 3.3Å; A25-L37 HydrophobicContact CB-CD1 3.09Å
26R47.4Very low53.6Low157 Ų15773.3 Ų73.359%0.59240%0.395SS*.Hα-helixtrans-53.7-31.8172.4-75.7178.3-179.1-143.2-2.3113E22 E24 T28E22-R26 WeakPolarHBondContact O-CG 3.02Å; E22-R26 PolarHBondContact O-N 2.94Å; E22-R26 IonicContact OE1-CZ 3.47Å; E22-R26 IonicContact OE1-NE 3.62Å; E22-R26 PolarHBondContact OE1-NE 3.4Å; E22-R26 IonicContact OE1-NH2 2.86Å; E22-R26 PolarHBondContact OE1-NH2 3.02Å; E24-R26 VanDerWaalsContact C-N 3.34Å; E24-R26 PolarHBondContact O-N 3.48Å; R26-T28 VanDerWaalsContact C-N 3.34Å; R26-T28 PolarHBondContact O-N 3.5Å
27N55.8Low53.9Low123 Ų12373 Ų7366%0.65838%0.383SS*.Hα-helixtrans-75.1-20.1-179.6-62.9-30.6000113.5K23 E24 A25K23-N27 PolarHBondContact O-ND2 3.36Å; E24-N27 WeakPolarHBondContact O-CB 3.34Å; E24-N27 PolarHBondContact O-N 2.95Å; E24-N27 VanDerWaalsContact O-N 3.08Å; A25-N27 PolarHBondContact O-N 3.4Å; A25-N27 VanDerWaalsContact O-N 3.15Å
28T60.1Low54.3Low68 Ų6873.6 Ų73.642%0.41738%0.383SS..THydrogen-bonded Turntrans-87.4-1.8-173.564.80000114.7A25 R26 D30A25-T28 PolarHBondContact O-N 2.95Å; A25-T28 PolarHBondContact O-OG1 3.3Å; R26-T28 VanDerWaalsContact C-N 3.34Å; R26-T28 PolarHBondContact O-N 3.5Å; T28-D30 PolarHBondContact O-N 2.78Å
29S54.7Low54.8Low86 Ų8679.7 Ų79.760%0.60140%0.404SS*.  trans57.73.9177.1-62.90000117.8S31 R34S29-S31 PolarHBondContact O-N 3.27Å; S29-R34 PolarHBondContact O-NH2 3.39Å
30D59.2Low54.8Low47 Ų4777.1 Ų77.125%0.25139%0.386SS..  trans-75.4112178.1-171.6-33.2000110.9T28 N32 K33 R34T28-D30 PolarHBondContact O-N 2.78Å; D30-N32 PolarHBondContact OD1-N 3.46Å; D30-N32 VanDerWaalsContact OD1-N 3.13Å; D30-K33 HydrophobicContact CB-CB 3.94Å; D30-K33 HydrophobicContact CB-CD 3.9Å; D30-K33 HydrophobicContact CB-CG 4.07Å; D30-K33 VanDerWaalsContact CG-CG 3.44Å; D30-K33 PolarHBondContact OD1-N 3.39Å; D30-K33 VanDerWaalsContact OD1-N 3.1Å; D30-K33 WeakPolarHBondContact OD2-CD 3.44Å; D30-K33 WeakPolarHBondContact OD2-CE 3.3Å; D30-K33 WeakPolarHBondContact OD2-CG 3.32Å; D30-K33 IonicContact OD2-NZ 3.67Å; D30-K33 PolarHBondContact OD2-NZ 2.93Å; D30-R34 WeakPolarHBondContact O-CB 3.5Å; D30-R34 WeakPolarHBondContact O-CG 3.48Å; D30-R34 PolarHBondContact O-N 2.97Å; D30-R34 PolarHBondContact O-NE 2.89Å
31S60.4Low55Low85 Ų8575 Ų7559%0.59438%0.379SS*.Hα-helixtrans-71.3-33.7-175.9530000113.4S29 G35S29-S31 PolarHBondContact O-N 3.27Å; S31-G35 PolarHBondContact O-N 3.28Å
32N60.1Low55.4Low129 Ų12978.7 Ų78.769%0.6939%0.394SS*.Hα-helixtrans-70.4-40.1177.8-73.3-22.2000110.4D30 G35 I36D30-N32 PolarHBondContact OD1-N 3.46Å; D30-N32 VanDerWaalsContact OD1-N 3.13Å; N32-G35 PolarHBondContact O-N 2.95Å; N32-I36 WeakPolarHBondContact O-CG1 3.39Å; N32-I36 PolarHBondContact O-N 2.98Å
33K49.6Very low55.9Low48 Ų4882.9 Ų82.921%0.20942%0.416CS..Hα-helixtrans-67.4-40.5175.5-69.4-179.1-172.7132.50112.3D30 G35 I36 L37D30-K33 HydrophobicContact CB-CB 3.94Å; D30-K33 HydrophobicContact CB-CD 3.9Å; D30-K33 HydrophobicContact CB-CG 4.07Å; D30-K33 VanDerWaalsContact CG-CG 3.44Å; D30-K33 PolarHBondContact OD1-N 3.39Å; D30-K33 VanDerWaalsContact OD1-N 3.1Å; D30-K33 WeakPolarHBondContact OD2-CD 3.44Å; D30-K33 WeakPolarHBondContact OD2-CE 3.3Å; D30-K33 WeakPolarHBondContact OD2-CG 3.32Å; D30-K33 IonicContact OD2-NZ 3.67Å; D30-K33 PolarHBondContact OD2-NZ 2.93Å; K33-G35 VanDerWaalsContact C-N 3.34Å; K33-G35 PolarHBondContact O-N 2.79Å; K33-I36 PolarHBondContact O-N 3.2Å; K33-L37 PolarHBondContact O-N 3.05Å; K33-L37 VanDerWaalsContact O-N 3.08Å
34R51.2Low56.1Low84 Ų8478.6 Ų78.632%0.31740%0.399SS..Hα-helixtrans-56.9-46.3171.9-81.4-175.6-88.5-173.40.1111.7S29 D30 I36 L37 E38S29-R34 PolarHBondContact O-NH2 3.39Å; D30-R34 WeakPolarHBondContact O-CB 3.5Å; D30-R34 WeakPolarHBondContact O-CG 3.48Å; D30-R34 PolarHBondContact O-N 2.97Å; D30-R34 PolarHBondContact O-NE 2.89Å; R34-I36 VanDerWaalsContact C-N 3.26Å; R34-I36 PolarHBondContact O-N 3.13Å; R34-L37 PolarHBondContact O-N 3.02Å; R34-E38 WeakPolarHBondContact O-CB 3.47Å; R34-E38 VanDerWaalsContact O-CG 3.28Å; R34-E38 WeakPolarHBondContact O-CG 3.5Å; R34-E38 PolarHBondContact O-N 3.43Å
35G60.3Low56.2Low21 Ų2179 Ų7922%0.21640%0.403CS..Hα-helixtrans-70.7-13.6178.900000115.7S31 N32 K33 R39S31-G35 PolarHBondContact O-N 3.28Å; N32-G35 PolarHBondContact O-N 2.95Å; K33-G35 VanDerWaalsContact C-N 3.34Å; K33-G35 PolarHBondContact O-N 2.79Å; G35-R39 PolarHBondContact O-NE 3Å; G35-R39 PolarHBondContact O-NH2 3.44Å
36I54.8Low56.8Low77 Ų7782.7 Ų82.740%0.39542%0.422SS..Hα-helixtrans-83.4-49.5170.2-69.1167.6000109.3N32 K33 R34 E38 R39 E40N32-I36 WeakPolarHBondContact O-CG1 3.39Å; N32-I36 PolarHBondContact O-N 2.98Å; K33-I36 PolarHBondContact O-N 3.2Å; R34-I36 VanDerWaalsContact C-N 3.26Å; R34-I36 PolarHBondContact O-N 3.13Å; I36-E38 PolarHBondContact O-N 3.2Å; I36-R39 WeakPolarHBondContact O-CB 3.45Å; I36-R39 PolarHBondContact O-N 2.74Å; I36-R39 VanDerWaalsContact O-N 3.13Å; I36-E40 WeakPolarHBondContact CG2-OE1 3.37Å; I36-E40 PolarHBondContact O-N 3.08Å
37L52.5Low57.2Low31 Ų3176.8 Ų76.816%0.16241%0.41CS..Hα-helixtrans-63.2-39.5179-72.9167000112.8A25 K33 R34 R39 E40 V41A25-L37 HydrophobicContact CB-CD1 3.09Å; K33-L37 PolarHBondContact O-N 3.05Å; K33-L37 VanDerWaalsContact O-N 3.08Å; R34-L37 PolarHBondContact O-N 3.02Å; L37-R39 VanDerWaalsContact C-N 3.26Å; L37-R39 PolarHBondContact O-N 3.39Å; L37-E40 PolarHBondContact O-N 3.27Å; L37-V41 WeakPolarHBondContact O-CB 3.39Å; L37-V41 VanDerWaalsContact O-CG2 3.32Å; L37-V41 WeakPolarHBondContact O-CG2 3.47Å; L37-V41 PolarHBondContact O-N 3.09Å
38E58.7Low57Low108 Ų10874.3 Ų74.351%0.50540%0.396SS..Hα-helixtrans-57.2-42173.9-77.9171.8175.800111.4R34 I36 E42R34-E38 WeakPolarHBondContact O-CB 3.47Å; R34-E38 VanDerWaalsContact O-CG 3.28Å; R34-E38 WeakPolarHBondContact O-CG 3.5Å; R34-E38 PolarHBondContact O-N 3.43Å; I36-E38 PolarHBondContact O-N 3.2Å; E38-E42 VanDerWaalsContact O-CB 3.24Å; E38-E42 WeakPolarHBondContact O-CB 3.11Å; E38-E42 PolarHBondContact O-N 3.1Å
39R60.3Low56.9Low154 Ų15475 Ų7558%0.58140%0.397SS*.Hα-helixtrans-67.9-42.8176.1-89.1-179.2-75155.4-2.9112.3G35 I36 L37 E42 D43G35-R39 PolarHBondContact O-NE 3Å; G35-R39 PolarHBondContact O-NH2 3.44Å; I36-R39 WeakPolarHBondContact O-CB 3.45Å; I36-R39 PolarHBondContact O-N 2.74Å; I36-R39 VanDerWaalsContact O-N 3.13Å; L37-R39 VanDerWaalsContact C-N 3.26Å; L37-R39 PolarHBondContact O-N 3.39Å; R39-E42 PolarHBondContact O-N 3.04Å; R39-D43 WeakPolarHBondContact O-CB 3.46Å; R39-D43 VanDerWaalsContact O-CG 3.28Å; R39-D43 PolarHBondContact O-N 3.05Å
40E54.4Low57Low45 Ų4574 Ų7421%0.2139%0.394CS..Hα-helixtrans-66.2-39.7179.3-71.3175.4-179.300112I36 L37 D43 L44 L145I36-E40 WeakPolarHBondContact CG2-OE1 3.37Å; I36-E40 PolarHBondContact O-N 3.08Å; L37-E40 PolarHBondContact O-N 3.27Å; E40-D43 PolarHBondContact O-N 3.08Å; E40-L44 WeakPolarHBondContact O-CB 3.14Å; E40-L44 VanDerWaalsContact O-CG 3.3Å; E40-L44 WeakPolarHBondContact O-CG 3.36Å; E40-L44 PolarHBondContact O-N 2.85Å; E40-L145 WeakPolarHBondContact OE1-CD1 3.07Å; E40-L145 WeakPolarHBondContact OE2-CD1 3.17Å
41V59.3Low56.6Low44 Ų4475.3 Ų75.327%0.26740%0.401SS..Hα-helixtrans-64.5-42172.3170.60000110.6L18 L37 L44 I45L18-V41 HydrophobicContact CD2-CG2 4.31Å; L37-V41 WeakPolarHBondContact O-CB 3.39Å; L37-V41 VanDerWaalsContact O-CG2 3.32Å; L37-V41 WeakPolarHBondContact O-CG2 3.47Å; L37-V41 PolarHBondContact O-N 3.09Å; V41-L44 PolarHBondContact O-N 3.36Å; V41-I45 HydrophobicContact CG1-CD1 3.81Å; V41-I45 HydrophobicContact CG1-CG1 4.44Å; V41-I45 VanDerWaalsContact O-CG1 3.27Å; V41-I45 WeakPolarHBondContact O-CG1 3.33Å; V41-I45 PolarHBondContact O-N 3.41Å
42E60.4Low56.1Low116 Ų11677.3 Ų77.354%0.54240%0.401SS..Hα-helixtrans-65.2-40.8176.8-173.5160-153.400112E38 R39 L44 I45 N46E38-E42 VanDerWaalsContact O-CB 3.24Å; E38-E42 WeakPolarHBondContact O-CB 3.11Å; E38-E42 PolarHBondContact O-N 3.1Å; R39-E42 PolarHBondContact O-N 3.04Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.47Å; E42-I45 PolarHBondContact O-N 3.36Å; E42-N46 VanDerWaalsContact O-CB 3.3Å; E42-N46 WeakPolarHBondContact O-CB 3.34Å; E42-N46 PolarHBondContact O-N 3.48Å; E42-N46 PolarHBondContact O-ND2 3.12Å; E42-N46 VanDerWaalsContact O-ND2 3.12Å
43D59.4Low56Low111 Ų11174 Ų7459%0.59439%0.391SS*.Hα-helixtrans-62.7-40.2174.1-74.5-20.3000111.5R39 E40 N46 G47R39-D43 WeakPolarHBondContact O-CB 3.46Å; R39-D43 VanDerWaalsContact O-CG 3.28Å; R39-D43 PolarHBondContact O-N 3.05Å; E40-D43 PolarHBondContact O-N 3.08Å; D43-N46 PolarHBondContact O-N 3.14Å; D43-G47 PolarHBondContact O-N 3.03Å
44L55Low56.4Low35 Ų3572.4 Ų72.418%0.18339%0.386CS..Hα-helixtrans-64.4-45.9173.6-76.2167.9000112.1L18 E40 V41 E42 N46 G47 I48 H138L18-L44 HydrophobicContact CD1-CD1 3.63Å; L18-L44 HydrophobicContact CD2-CD1 3.56Å; L18-L44 HydrophobicContact CG-CD1 4.24Å; E40-L44 WeakPolarHBondContact O-CB 3.14Å; E40-L44 VanDerWaalsContact O-CG 3.3Å; E40-L44 WeakPolarHBondContact O-CG 3.36Å; E40-L44 PolarHBondContact O-N 2.85Å; V41-L44 PolarHBondContact O-N 3.36Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.47Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 2.99Å; L44-G47 PolarHBondContact O-N 2.81Å; L44-I48 WeakPolarHBondContact O-CG1 3.23Å; L44-I48 PolarHBondContact O-N 3.35Å; L44-H138 HydrophobicContact CD2-CB 4.27Å; L44-H138 WeakPolarHBondContact CD2-ND1 3.34Å
45I58.2Low57.1Low84 Ų8472.8 Ų72.843%0.43140%0.399SS..Hα-helixtrans-61.2-44.5176.4-71.8167.1000110.3V41 E42 G47 I48 N49V41-I45 HydrophobicContact CG1-CD1 3.81Å; V41-I45 HydrophobicContact CG1-CG1 4.44Å; V41-I45 VanDerWaalsContact O-CG1 3.27Å; V41-I45 WeakPolarHBondContact O-CG1 3.33Å; V41-I45 PolarHBondContact O-N 3.41Å; E42-I45 PolarHBondContact O-N 3.36Å; I45-G47 VanDerWaalsContact C-N 3.31Å; I45-G47 PolarHBondContact O-N 3.3Å; I45-I48 PolarHBondContact O-N 3.13Å; I45-N49 WeakPolarHBondContact O-CB 3.45Å; I45-N49 VanDerWaalsContact O-CG 3.29Å; I45-N49 PolarHBondContact O-N 2.96Å; I45-N49 PolarHBondContact O-ND2 3.27Å
46N60.2Low57Low83 Ų8378.4 Ų78.444%0.44442%0.42SS..Hα-helixtrans-63.5-39177-72.8-30.1000111.5E42 D43 L44 N49 A50E42-N46 VanDerWaalsContact O-CB 3.3Å; E42-N46 WeakPolarHBondContact O-CB 3.34Å; E42-N46 PolarHBondContact O-N 3.48Å; E42-N46 PolarHBondContact O-ND2 3.12Å; E42-N46 VanDerWaalsContact O-ND2 3.12Å; D43-N46 PolarHBondContact O-N 3.14Å; L44-N46 VanDerWaalsContact C-N 3.33Å; L44-N46 PolarHBondContact O-N 2.99Å; N46-N49 PolarHBondContact O-N 3.13Å; N46-A50 VanDerWaalsContact O-CB 3.27Å; N46-A50 WeakPolarHBondContact O-CB 3.49Å; N46-A50 PolarHBondContact O-N 3.5Å
47G56.2Low56.7Low33 Ų3376.9 Ų76.934%0.3441%0.412SS..Hα-helixtrans-58.7-47.1171.200000112.1D43 L44 I45 L51D43-G47 PolarHBondContact O-N 3.03Å; L44-G47 PolarHBondContact O-N 2.81Å; I45-G47 VanDerWaalsContact C-N 3.31Å; I45-G47 PolarHBondContact O-N 3.3Å; G47-L51 WeakPolarHBondContact O-CB 3.32Å; G47-L51 WeakPolarHBondContact O-CD1 3.49Å; G47-L51 WeakPolarHBondContact O-CG 3.47Å; G47-L51 PolarHBondContact O-N 3.48Å; G47-L51 VanDerWaalsContact O-N 3.13Å
48I52.3Low57Low72 Ų7280.2 Ų80.237%0.36943%0.425SS..Hα-helixtrans-62-48.7176.7-67.8165.2000111L15 L44 I45 A50 L51 E52L15-I48 HydrophobicContact CD2-CD1 4.35Å; L44-I48 WeakPolarHBondContact O-CG1 3.23Å; L44-I48 PolarHBondContact O-N 3.35Å; I45-I48 PolarHBondContact O-N 3.13Å; I48-A50 PolarHBondContact O-N 3.46Å; I48-L51 WeakPolarHBondContact O-CB 3.3Å; I48-L51 PolarHBondContact O-N 3.46Å; I48-L51 VanDerWaalsContact O-N 3.12Å; I48-E52 PolarHBondContact O-N 2.8Å
49N57Low57Low81 Ų8176.4 Ų76.443%0.43341%0.413SS..Hα-helixtrans-63.1-41.8-179.3-71-24.6000112.4I45 N46 L51 E52 A53I45-N49 WeakPolarHBondContact O-CB 3.45Å; I45-N49 VanDerWaalsContact O-CG 3.29Å; I45-N49 PolarHBondContact O-N 2.96Å; I45-N49 PolarHBondContact O-ND2 3.27Å; N46-N49 PolarHBondContact O-N 3.13Å; N49-L51 PolarHBondContact O-N 2.93Å; N49-E52 PolarHBondContact O-N 2.87Å; N49-A53 VanDerWaalsContact O-CB 3.27Å; N49-A53 WeakPolarHBondContact O-CB 3.28Å; N49-A53 PolarHBondContact O-N 3.31Å
50A57Low56.5Low65 Ų6570.3 Ų70.354%0.53740%0.395SS..Hα-helixtrans-62.6-33176.300000111.6N46 I48 A53 S54N46-A50 VanDerWaalsContact O-CB 3.27Å; N46-A50 WeakPolarHBondContact O-CB 3.49Å; N46-A50 PolarHBondContact O-N 3.5Å; I48-A50 PolarHBondContact O-N 3.46Å; A50-A53 CarbonylContact O-C 3.59Å; A50-S54 PolarHBondContact O-N 2.85Å; A50-S54 VanDerWaalsContact O-N 3.12Å
51L50.9Low56.2Low75 Ų7573.1 Ų73.139%0.39341%0.408SS..Hα-helixtrans-76.6-43.5177.2-70.4173.4000112.7G47 I48 N49 A53 S54 L57 Y131G47-L51 WeakPolarHBondContact O-CB 3.32Å; G47-L51 WeakPolarHBondContact O-CD1 3.49Å; G47-L51 WeakPolarHBondContact O-CG 3.47Å; G47-L51 PolarHBondContact O-N 3.48Å; G47-L51 VanDerWaalsContact O-N 3.13Å; I48-L51 WeakPolarHBondContact O-CB 3.3Å; I48-L51 PolarHBondContact O-N 3.46Å; I48-L51 VanDerWaalsContact O-N 3.12Å; N49-L51 PolarHBondContact O-N 2.93Å; L51-A53 PolarHBondContact O-N 3.25Å; L51-S54 WeakPolarHBondContact O-CB 3.38Å; L51-S54 PolarHBondContact O-N 2.85Å; L51-L57 WeakPolarHBondContact O-CD2 3.24Å; L51-Y131 HydrophobicContact CD1-CD1 4.22Å; L51-Y131 HydrophobicContact CD1-CE1 4.08Å; L51-Y131 HydrophobicContact CD2-CE1 3.72Å; L51-Y131 HydrophobicContact CG-CE1 4.43Å
52E51Low56Low128 Ų12877.4 Ų77.460%0.59843%0.425SS*.Hα-helixtrans-59.4-29.6170.4-71.8-173.1164.300111.8I48 N49 K58I48-E52 PolarHBondContact O-N 2.8Å; N49-E52 PolarHBondContact O-N 2.87Å; E52-K58 VanDerWaalsContact O-CE 3.27Å; E52-K58 WeakPolarHBondContact O-CE 3.49Å
53A58.4Low55.5Low59 Ų5980.3 Ų80.349%0.48843%0.431SS..THydrogen-bonded Turntrans-82.8-9174.300000114.1N49 A50 L51 P55N49-A53 VanDerWaalsContact O-CB 3.27Å; N49-A53 WeakPolarHBondContact O-CB 3.28Å; N49-A53 PolarHBondContact O-N 3.31Å; A50-A53 CarbonylContact O-C 3.59Å; L51-A53 PolarHBondContact O-N 3.25Å; A53-P55 WeakPolarHBondContact O-CD 3.3Å
54S58Low55.2Low14 Ų1478.9 Ų78.910%0.09842%0.424CS..  trans-58.6123.4-176.9164.20000110.6A50 L51 E56 L57 K58A50-S54 PolarHBondContact O-N 2.85Å; A50-S54 VanDerWaalsContact O-N 3.12Å; L51-S54 WeakPolarHBondContact O-CB 3.38Å; L51-S54 PolarHBondContact O-N 2.85Å; S54-E56 PolarHBondContact O-N 2.97Å; S54-E56 WeakPolarHBondContact OG-CB 3.47Å; S54-E56 PolarHBondContact OG-N 3.15Å; S54-E56 VanDerWaalsContact OG-N 3.16Å; S54-E56 PolarHBondContact OG-OE2 2.83Å; S54-L57 PolarHBondContact O-N 3.21Å; S54-L57 PolarHBondContact OG-N 2.97Å; S54-K58 PolarHBondContact O-N 2.87Å
55P64.8Low54.8Low92 Ų9282.1 Ų82.160%0.59744%0.441SS*.Hα-helixtrans-58.2-32172.1-24.234.3000112.6A53 A59A53-P55 WeakPolarHBondContact O-CD 3.3Å; P55-A59 WeakPolarHBondContact O-CB 3.42Å; P55-A59 PolarHBondContact O-N 3.03Å
56E58.9Low54.5Low139 Ų13983.6 Ų83.665%0.6545%0.449SS*.Hα-helixtrans-68.4-44.3178.6-6176.9-167.700112S54 A59 A60S54-E56 PolarHBondContact O-N 2.97Å; S54-E56 WeakPolarHBondContact OG-CB 3.47Å; S54-E56 PolarHBondContact OG-N 3.15Å; S54-E56 VanDerWaalsContact OG-N 3.16Å; S54-E56 PolarHBondContact OG-OE2 2.83Å; E56-A59 PolarHBondContact O-N 3.25Å; E56-A60 WeakPolarHBondContact O-CB 3.39Å; E56-A60 PolarHBondContact O-N 3.48Å
57L48.3Very low54.1Low46 Ų4682.3 Ų82.324%0.24145%0.445CS..Hα-helixtrans-63.8-48.2175.3-174.668.9000110.5L51 S54 A59 A60 E61L51-L57 WeakPolarHBondContact O-CD2 3.24Å; S54-L57 PolarHBondContact O-N 3.21Å; S54-L57 PolarHBondContact OG-N 2.97Å; L57-A59 VanDerWaalsContact C-N 3.35Å; L57-A59 PolarHBondContact O-N 3.31Å; L57-A60 WeakPolarHBondContact O-CB 3.49Å; L57-A60 PolarHBondContact O-N 3.4Å; L57-A60 VanDerWaalsContact O-N 3.11Å; L57-E61 WeakPolarHBondContact O-CG 3.27Å; L57-E61 PolarHBondContact O-N 3.38Å
58K59.2Low53.9Low100 Ų10084.8 Ų84.844%0.43545%0.453SS..Hα-helixtrans-59.4-43.8176.4-73.3-177.1178.9176.90112.5E52 S54 A60 E61 E62E52-K58 VanDerWaalsContact O-CE 3.27Å; E52-K58 WeakPolarHBondContact O-CE 3.49Å; S54-K58 PolarHBondContact O-N 2.87Å; K58-A60 VanDerWaalsContact C-N 3.29Å; K58-A60 PolarHBondContact O-N 3.27Å; K58-E61 PolarHBondContact O-N 3Å; K58-E62 WeakPolarHBondContact O-CB 3.32Å; K58-E62 VanDerWaalsContact O-CG 3.31Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 3.43Å
59A57.2Low54Low29 Ų2985.7 Ų85.724%0.2446%0.459CS..Hα-helixtrans-66-32177.300000112.4P55 E56 L57 R63P55-A59 WeakPolarHBondContact O-CB 3.42Å; P55-A59 PolarHBondContact O-N 3.03Å; E56-A59 PolarHBondContact O-N 3.25Å; L57-A59 VanDerWaalsContact C-N 3.35Å; L57-A59 PolarHBondContact O-N 3.31Å; A59-R63 VanDerWaalsContact O-CB 3.28Å; A59-R63 WeakPolarHBondContact O-CB 3.33Å; A59-R63 WeakPolarHBondContact O-CD 3.49Å; A59-R63 WeakPolarHBondContact O-CG 3.44Å; A59-R63 PolarHBondContact O-N 2.95Å; A59-R63 VanDerWaalsContact O-N 3.09Å
60A49.7Very low53.9Low25 Ų2588.6 Ų88.621%0.20747%0.468CS..Hα-helixtrans-70.3-44.5173.600000111.5E56 L57 K58 R63 N64E56-A60 WeakPolarHBondContact O-CB 3.39Å; E56-A60 PolarHBondContact O-N 3.48Å; L57-A60 WeakPolarHBondContact O-CB 3.49Å; L57-A60 PolarHBondContact O-N 3.4Å; L57-A60 VanDerWaalsContact O-N 3.11Å; K58-A60 VanDerWaalsContact C-N 3.29Å; K58-A60 PolarHBondContact O-N 3.27Å; A60-R63 PolarHBondContact O-N 3.18Å; A60-N64 WeakPolarHBondContact O-CB 3.27Å; A60-N64 PolarHBondContact O-N 3.22Å
61E49.6Very low53.7Low105 Ų10588.5 Ų88.549%0.49145%0.454SS..Hα-helixtrans-61.6-48.9174.6-72.6179.1171.500111.8L57 K58 R63 N64 L65L57-E61 WeakPolarHBondContact O-CG 3.27Å; L57-E61 PolarHBondContact O-N 3.38Å; K58-E61 PolarHBondContact O-N 3Å; E61-R63 PolarHBondContact O-N 2.91Å; E61-N64 PolarHBondContact O-N 2.86Å; E61-L65 WeakPolarHBondContact O-CB 3.15Å; E61-L65 VanDerWaalsContact O-CG 3.28Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 2.95Å
62E54.3Low53.9Low133 Ų13391.5 Ų91.562%0.62146%0.464SS*.Hα-helixtrans-60.7-42.1177.6-76.4176.6-177.100112K58 L65 D66K58-E62 WeakPolarHBondContact O-CB 3.32Å; K58-E62 VanDerWaalsContact O-CG 3.31Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 3.43Å; E62-L65 PolarHBondContact O-N 3.36Å; E62-D66 WeakPolarHBondContact O-CB 3.38Å; E62-D66 PolarHBondContact O-N 2.88Å
63R51.1Low54.2Low177 Ų17788.6 Ų88.667%0.66845%0.452SS*.Hα-helixtrans-66.6-39.3176.5-78173.5-177.3151.84.7112.4A59 A60 E61 T67A59-R63 VanDerWaalsContact O-CB 3.28Å; A59-R63 WeakPolarHBondContact O-CB 3.33Å; A59-R63 WeakPolarHBondContact O-CD 3.49Å; A59-R63 WeakPolarHBondContact O-CG 3.44Å; A59-R63 PolarHBondContact O-N 2.95Å; A59-R63 VanDerWaalsContact O-N 3.09Å; A60-R63 PolarHBondContact O-N 3.18Å; E61-R63 PolarHBondContact O-N 2.91Å; R63-T67 WeakPolarHBondContact O-CB 3.36Å; R63-T67 PolarHBondContact O-N 2.9Å; R63-T67 VanDerWaalsContact O-N 3.12Å; R63-T67 PolarHBondContact O-OG1 3.2Å
64N51.7Low54.2Low81 Ų8187.5 Ų87.543%0.43344%0.443SS..Hα-helixtrans-65.9-45.8175.2-81.1-13.3000110.4A60 E61 T67 T68 N124A60-N64 WeakPolarHBondContact O-CB 3.27Å; A60-N64 PolarHBondContact O-N 3.22Å; E61-N64 PolarHBondContact O-N 2.86Å; N64-T67 PolarHBondContact O-N 3.45Å; N64-T68 WeakPolarHBondContact O-CB 3.46Å; N64-T68 PolarHBondContact O-N 3.21Å; N64-T68 PolarHBondContact O-OG1 2.97Å; N64-N124 PolarHBondContact ND2-ND2 2.97Å
65L47.9Very low54.1Low103 Ų10391.2 Ų91.254%0.53946%0.462SS..Hα-helixtrans-60.6-48.1176.8-74.4168.5000112E61 E62 T67 T68 D69E61-L65 WeakPolarHBondContact O-CB 3.15Å; E61-L65 VanDerWaalsContact O-CG 3.28Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 2.95Å; E62-L65 PolarHBondContact O-N 3.36Å; L65-T67 VanDerWaalsContact C-N 3.28Å; L65-T67 PolarHBondContact O-N 3.39Å; L65-T68 PolarHBondContact O-N 3.47Å; L65-D69 VanDerWaalsContact O-CB 3.26Å; L65-D69 WeakPolarHBondContact O-CB 3.44Å; L65-D69 PolarHBondContact O-N 2.85Å
66D51.6Low54Low115 Ų11593.5 Ų93.562%0.61546%0.459SS*.Hα-helixtrans-59.7-40.6178.3-174.556.5000111.6E62 K70E62-D66 WeakPolarHBondContact O-CB 3.38Å; E62-D66 PolarHBondContact O-N 2.88Å; D66-K70 VanDerWaalsContact O-CB 3.25Å; D66-K70 WeakPolarHBondContact O-CB 3.47Å; D66-K70 PolarHBondContact O-N 3.12Å
67T51.3Low54Low56 Ų5691.1 Ų91.134%0.34445%0.45SS..Hα-helixtrans-67.7-48.2176.8-56.80000111.2R63 N64 L65 K70 Y71R63-T67 WeakPolarHBondContact O-CB 3.36Å; R63-T67 PolarHBondContact O-N 2.9Å; R63-T67 VanDerWaalsContact O-N 3.12Å; R63-T67 PolarHBondContact O-OG1 3.2Å; N64-T67 PolarHBondContact O-N 3.45Å; L65-T67 VanDerWaalsContact C-N 3.28Å; L65-T67 PolarHBondContact O-N 3.39Å; T67-K70 PolarHBondContact O-N 3.49Å; T67-Y71 HydrophobicContact CG2-CD2 3.82Å; T67-Y71 HydrophobicContact CG2-CE2 3.44Å; T67-Y71 VanDerWaalsContact CG2-CE2 3.44Å; T67-Y71 WeakPolarHBondContact O-CD2 3.37Å; T67-Y71 PolarHBondContact O-N 2.89Å; T67-Y71 VanDerWaalsContact O-N 3.1Å
68T52.6Low54.5Low85 Ų8590.4 Ų90.452%0.52145%0.446SS..Hα-helixtrans-62.5-45178.6-62.70000111.7N64 L65 K70 Y71 F72N64-T68 WeakPolarHBondContact O-CB 3.46Å; N64-T68 PolarHBondContact O-N 3.21Å; N64-T68 PolarHBondContact O-OG1 2.97Å; L65-T68 PolarHBondContact O-N 3.47Å; T68-K70 PolarHBondContact O-N 2.86Å; T68-Y71 PolarHBondContact O-N 3.33Å; T68-F72 VanDerWaalsContact O-CB 3.31Å; T68-F72 WeakPolarHBondContact O-CB 3.38Å; T68-F72 PolarHBondContact O-N 2.91Å
69D53.6Low54.5Low91 Ų9190.1 Ų90.149%0.48745%0.453SS..Hα-helixtrans-63.9-40.9178.4-78.3-14.5000111.2L65 Y71 F72 N73L65-D69 VanDerWaalsContact O-CB 3.26Å; L65-D69 WeakPolarHBondContact O-CB 3.44Å; L65-D69 PolarHBondContact O-N 2.85Å; D69-Y71 PolarHBondContact O-N 3.13Å; D69-F72 PolarHBondContact O-N 3.46Å; D69-N73 WeakPolarHBondContact O-CB 3.41Å; D69-N73 VanDerWaalsContact O-CG 3.27Å; D69-N73 PolarHBondContact O-N 3.24Å; D69-N73 PolarHBondContact O-ND2 3.44Å
70K55.3Low54.7Low143 Ų14392.8 Ų92.862%0.62246%0.461SS*.Hα-helixtrans-59.6-47.2175-174.9-177.6175.4-167.90111.5D66 T67 T68 A74D66-K70 VanDerWaalsContact O-CB 3.25Å; D66-K70 WeakPolarHBondContact O-CB 3.47Å; D66-K70 PolarHBondContact O-N 3.12Å; T67-K70 PolarHBondContact O-N 3.49Å; T68-K70 PolarHBondContact O-N 2.86Å; K70-A74 PolarHBondContact O-N 3.3Å
71Y53.6Low55.1Low63 Ų6394.2 Ų94.225%0.24747%0.467CS..Hα-helixtrans-68.2-39.7177.5-73.5-63.8000112.8T67 T68 D69 N73 A74 L75 I108 L111T67-Y71 HydrophobicContact CG2-CD2 3.82Å; T67-Y71 HydrophobicContact CG2-CE2 3.44Å; T67-Y71 VanDerWaalsContact CG2-CE2 3.44Å; T67-Y71 WeakPolarHBondContact O-CD2 3.37Å; T67-Y71 PolarHBondContact O-N 2.89Å; T67-Y71 VanDerWaalsContact O-N 3.1Å; T68-Y71 PolarHBondContact O-N 3.33Å; D69-Y71 PolarHBondContact O-N 3.13Å; Y71-N73 VanDerWaalsContact C-N 3.32Å; Y71-N73 PolarHBondContact O-N 3.47Å; Y71-A74 PolarHBondContact O-N 3.4Å; Y71-L75 WeakPolarHBondContact O-CB 3.49Å; Y71-L75 WeakPolarHBondContact O-CG 3.44Å; Y71-L75 PolarHBondContact O-N 3.41Å; Y71-I108 HydrophobicContact CD1-CG1 4.17Å; Y71-I108 HydrophobicContact CE1-CG1 3.89Å; Y71-L111 HydrophobicContact CE1-CD1 4.05Å; Y71-L111 WeakPolarHBondContact OH-CB 3.4Å; Y71-L111 WeakPolarHBondContact OH-CD1 3.31Å
72F54.8Low55.4Low137 Ų13791.7 Ų91.760%0.60146%0.455SS*.Hα-helixtrans-63.9-40178.4-167.4-95.1000111.4T68 D69 L75 R76T68-F72 VanDerWaalsContact O-CB 3.31Å; T68-F72 WeakPolarHBondContact O-CB 3.38Å; T68-F72 PolarHBondContact O-N 2.91Å; D69-F72 PolarHBondContact O-N 3.46Å; F72-L75 PolarHBondContact O-N 3.33Å; F72-R76 WeakPolarHBondContact O-CB 3.48Å; F72-R76 PolarHBondContact O-N 2.95Å
73N56.6Low55.6Low67 Ų6791.2 Ų91.236%0.35845%0.451SS..Hα-helixtrans-64.2-44.8173.3-74.9-47.5000111.8D69 Y71 L75 R76 D77D69-N73 WeakPolarHBondContact O-CB 3.41Å; D69-N73 VanDerWaalsContact O-CG 3.27Å; D69-N73 PolarHBondContact O-N 3.24Å; D69-N73 PolarHBondContact O-ND2 3.44Å; Y71-N73 VanDerWaalsContact C-N 3.32Å; Y71-N73 PolarHBondContact O-N 3.47Å; N73-L75 VanDerWaalsContact C-N 3.34Å; N73-L75 PolarHBondContact O-N 3Å; N73-R76 PolarHBondContact O-N 3.25Å; N73-R76 PolarHBondContact OD1-NH1 3.08Å; N73-R76 PolarHBondContact OD1-NH2 3.01Å; N73-D77 VanDerWaalsContact O-CG 3.29Å; N73-D77 PolarHBondContact O-N 3.44Å
74A57.7Low56Low36 Ų3687.8 Ų87.830%0.29844%0.442SS..Hα-helixtrans-60.1-43.317600000112.2K70 Y71 D77 L78K70-A74 PolarHBondContact O-N 3.3Å; Y71-A74 PolarHBondContact O-N 3.4Å; A74-D77 PolarHBondContact O-N 2.95Å; A74-L78 WeakPolarHBondContact O-CB 3.27Å; A74-L78 PolarHBondContact O-N 3.36Å
75L56.8Low56.1Low93 Ų9384 Ų8449%0.48742%0.423SS..Hα-helixtrans-63.7-42.2174.8-76.5172.5000112.2Y71 F72 N73 D77 L78 V79Y71-L75 WeakPolarHBondContact O-CB 3.49Å; Y71-L75 WeakPolarHBondContact O-CG 3.44Å; Y71-L75 PolarHBondContact O-N 3.41Å; F72-L75 PolarHBondContact O-N 3.33Å; N73-L75 VanDerWaalsContact C-N 3.34Å; N73-L75 PolarHBondContact O-N 3Å; L75-D77 VanDerWaalsContact C-N 3.35Å; L75-L78 PolarHBondContact O-N 3.01Å; L75-V79 WeakPolarHBondContact O-CB 3.49Å; L75-V79 VanDerWaalsContact O-CG2 3.27Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 2.91Å
76R61.7Low56.2Low140 Ų14087.6 Ų87.653%0.52843%0.429SS..Hα-helixtrans-61.6-45.1177.6-174.8-167.667.3-163.8-7.3111.2F72 N73 L78 V79 Q80F72-R76 WeakPolarHBondContact O-CB 3.48Å; F72-R76 PolarHBondContact O-N 2.95Å; N73-R76 PolarHBondContact O-N 3.25Å; N73-R76 PolarHBondContact OD1-NH1 3.08Å; N73-R76 PolarHBondContact OD1-NH2 3.01Å; R76-L78 VanDerWaalsContact C-N 3.34Å; R76-V79 PolarHBondContact O-N 3.24Å; R76-Q80 WeakPolarHBondContact O-CB 3.42Å; R76-Q80 PolarHBondContact O-N 3.31Å
77D60.6Low56.5Low88 Ų8888.1 Ų88.147%0.47143%0.432SS..Hα-helixtrans-64.5-41.9179.7-67.1-4.4000110.2N73 A74 L75 Q80 T81N73-D77 VanDerWaalsContact O-CG 3.29Å; N73-D77 PolarHBondContact O-N 3.44Å; A74-D77 PolarHBondContact O-N 2.95Å; L75-D77 VanDerWaalsContact C-N 3.35Å; D77-Q80 PolarHBondContact O-N 3.14Å; D77-T81 PolarHBondContact O-N 2.91Å; D77-T81 PolarHBondContact O-OG1 3Å
78L57.8Low57.2Low31 Ų3188.8 Ų88.816%0.16244%0.436CS..Hα-helixtrans-63.1-43.5174.2178145.6000113.2A74 L75 R76 Q80 T81 E82 V101 L104A74-L78 WeakPolarHBondContact O-CB 3.27Å; A74-L78 PolarHBondContact O-N 3.36Å; L75-L78 PolarHBondContact O-N 3.01Å; R76-L78 VanDerWaalsContact C-N 3.34Å; L78-Q80 VanDerWaalsContact C-N 3.27Å; L78-Q80 PolarHBondContact O-N 3.46Å; L78-T81 PolarHBondContact O-N 2.98Å; L78-E82 WeakPolarHBondContact O-CB 3.15Å; L78-E82 PolarHBondContact O-N 3.49Å; L78-V101 HydrophobicContact CD1-CB 3.95Å; L78-V101 HydrophobicContact CD1-CG1 4.35Å; L78-V101 HydrophobicContact CD1-CG2 3.45Å; L78-V101 VanDerWaalsContact CD1-CG2 3.45Å; L78-V101 HydrophobicContact CD2-CG2 3.96Å; L78-V101 HydrophobicContact CG-CG2 3.83Å; L78-L104 HydrophobicContact CB-CD1 4.38Å; L78-L104 HydrophobicContact CD1-CD1 3.36Å
79V58.9Low57.6Low95 Ų9589 Ų8958%0.57644%0.441SS*.Hα-helixtrans-61.7-38.8175.1166.80000110.9L75 R76 K83L75-V79 WeakPolarHBondContact O-CB 3.49Å; L75-V79 VanDerWaalsContact O-CG2 3.27Å; L75-V79 WeakPolarHBondContact O-CG2 3.33Å; L75-V79 PolarHBondContact O-N 2.91Å; R76-V79 PolarHBondContact O-N 3.24Å; V79-K83 WeakPolarHBondContact O-CB 3.4Å; V79-K83 PolarHBondContact O-N 3.09Å
80Q61.1Low58.2Low85 Ų8587.4 Ų87.440%0.39743%0.432SS..Hα-helixtrans-67.5-45.2177.4-178.158.228.800111.3R76 D77 L78 E82 K83 E84R76-Q80 WeakPolarHBondContact O-CB 3.42Å; R76-Q80 PolarHBondContact O-N 3.31Å; D77-Q80 PolarHBondContact O-N 3.14Å; L78-Q80 VanDerWaalsContact C-N 3.27Å; L78-Q80 PolarHBondContact O-N 3.46Å; Q80-E82 VanDerWaalsContact C-N 3.35Å; Q80-E82 PolarHBondContact O-N 2.98Å; Q80-K83 WeakPolarHBondContact O-CB 3.44Å; Q80-K83 PolarHBondContact O-N 3.12Å; Q80-E84 PolarHBondContact NE2-OE1 3.28Å; Q80-E84 WeakPolarHBondContact O-CG 3.23Å; Q80-E84 PolarHBondContact O-N 2.99Å
81T58.5Low58.9Low54 Ų5484.4 Ų84.433%0.33143%0.429SS..Hα-helixtrans-62.2-41.7176.2-50.20000111.2D77 L78 K83 E84 A85 L97D77-T81 PolarHBondContact O-N 2.91Å; D77-T81 PolarHBondContact O-OG1 3Å; L78-T81 PolarHBondContact O-N 2.98Å; T81-K83 PolarHBondContact O-N 3.45Å; T81-E84 PolarHBondContact O-N 3.45Å; T81-A85 PolarHBondContact O-N 3.39Å; T81-L97 HydrophobicContact CG2-CD1 4.19Å; T81-L97 HydrophobicContact CG2-CD2 3.22Å; T81-L97 HydrophobicContact CG2-CG 3.9Å; T81-L97 WeakPolarHBondContact O-CD1 3.39Å
82E56.8Low59.8Low52 Ų5287.1 Ų87.124%0.24345%0.448CS..Hα-helixtrans-60.9-43.4174.117460.1-166.900112L78 Q80 E84 A85 R86L78-E82 WeakPolarHBondContact O-CB 3.15Å; L78-E82 PolarHBondContact O-N 3.49Å; Q80-E82 VanDerWaalsContact C-N 3.35Å; Q80-E82 PolarHBondContact O-N 2.98Å; E82-E84 VanDerWaalsContact C-N 3.29Å; E82-E84 PolarHBondContact O-N 3.36Å; E82-A85 PolarHBondContact O-N 3.36Å; E82-R86 WeakPolarHBondContact O-CG 3.15Å; E82-R86 PolarHBondContact O-N 3.19Å; E82-R86 IonicContact OE1-CZ 3.46Å; E82-R86 IonicContact OE1-NE 2.76Å; E82-R86 PolarHBondContact OE1-NE 2.68Å; E82-R86 IonicContact OE1-NH2 3.27Å; E82-R86 PolarHBondContact OE1-NH2 2.91Å
83K57.2Low60.2Low123 Ų12385.3 Ų85.354%0.53544%0.44SS..Hα-helixtrans-60-39.6175-174.7179.6177.8-176.60111.7V79 Q80 T81 N87V79-K83 WeakPolarHBondContact O-CB 3.4Å; V79-K83 PolarHBondContact O-N 3.09Å; Q80-K83 WeakPolarHBondContact O-CB 3.44Å; Q80-K83 PolarHBondContact O-N 3.12Å; T81-K83 PolarHBondContact O-N 3.45Å; K83-N87 VanDerWaalsContact O-CG 3.29Å; K83-N87 PolarHBondContact O-N 2.87Å; K83-N87 PolarHBondContact O-ND2 3.45Å; K83-N87 VanDerWaalsContact O-ND2 3.11Å
84E59.3Low60.6Low106 Ų10687.2 Ų87.250%0.49544%0.442SS..Hα-helixtrans-69.7-38.8177.9-71.9174.4-166.100112.8Q80 T81 E82 N87 T88Q80-E84 PolarHBondContact NE2-OE1 3.28Å; Q80-E84 WeakPolarHBondContact O-CG 3.23Å; Q80-E84 PolarHBondContact O-N 2.99Å; T81-E84 PolarHBondContact O-N 3.45Å; E82-E84 VanDerWaalsContact C-N 3.29Å; E82-E84 PolarHBondContact O-N 3.36Å; E84-N87 PolarHBondContact O-N 2.86Å; E84-T88 PolarHBondContact O-N 3.05Å; E84-T88 PolarHBondContact O-OG1 3.29Å
85A54.3Low61.2Low2 Ų286.5 Ų86.52%0.01744%0.439CS..Hα-helixtrans-70.4-38.5176.300000113.1T81 E82 N87 T88 S89 K93 R94 L97T81-A85 PolarHBondContact O-N 3.39Å; E82-A85 PolarHBondContact O-N 3.36Å; A85-N87 PolarHBondContact O-N 3.12Å; A85-T88 PolarHBondContact O-N 2.92Å; A85-T88 VanDerWaalsContact O-N 3.15Å; A85-T88 PolarHBondContact O-OG1 2.97Å; A85-S89 PolarHBondContact O-N 3.23Å; A85-K93 HydrophobicContact CB-CB 4.09Å; A85-R94 HydrophobicContact CB-CG 4.36Å; A85-L97 HydrophobicContact CB-CD1 3.06Å; A85-L97 HydrophobicContact CB-CG 4.48Å
86R50.4Low61.8Low177 Ų17785.6 Ų85.667%0.66843%0.433SS*.Hα-helixtrans-57-37.6172.7-75.8-174.6-178.5-157.30.4112.3E82 T88E82-R86 WeakPolarHBondContact O-CG 3.15Å; E82-R86 PolarHBondContact O-N 3.19Å; E82-R86 IonicContact OE1-CZ 3.46Å; E82-R86 IonicContact OE1-NE 2.76Å; E82-R86 PolarHBondContact OE1-NE 2.68Å; E82-R86 IonicContact OE1-NH2 3.27Å; E82-R86 PolarHBondContact OE1-NH2 2.91Å; R86-T88 VanDerWaalsContact C-N 3.3Å; R86-T88 PolarHBondContact O-N 2.88Å
87N58.6Low61.9Low127 Ų12779.1 Ų79.168%0.67941%0.409SS*.Hα-helixtrans-75-14.8-178.9-70.6-25.9000114.3K83 E84 A85K83-N87 VanDerWaalsContact O-CG 3.29Å; K83-N87 PolarHBondContact O-N 2.87Å; K83-N87 PolarHBondContact O-ND2 3.45Å; K83-N87 VanDerWaalsContact O-ND2 3.11Å; E84-N87 PolarHBondContact O-N 2.86Å; A85-N87 PolarHBondContact O-N 3.12Å
88T65.4Low62.3Low69 Ų6981.5 Ų81.542%0.42342%0.418SS..Hα-helixtrans-108-3-175.253.40000114.4E84 A85 R86 D90E84-T88 PolarHBondContact O-N 3.05Å; E84-T88 PolarHBondContact O-OG1 3.29Å; A85-T88 PolarHBondContact O-N 2.92Å; A85-T88 VanDerWaalsContact O-N 3.15Å; A85-T88 PolarHBondContact O-OG1 2.97Å; R86-T88 VanDerWaalsContact C-N 3.3Å; R86-T88 PolarHBondContact O-N 2.88Å; T88-D90 PolarHBondContact O-N 2.69Å
89S60.4Low63Low90 Ų9087.4 Ų87.463%0.62944%0.437SS*.  trans53.64.7-176.2-66.30000115.6A85 S91 R94A85-S89 PolarHBondContact O-N 3.23Å; S89-S91 PolarHBondContact O-N 3.16Å; S89-R94 PolarHBondContact O-NH2 3.21Å
90D66.2Low63.7Low57 Ų5787.1 Ų87.131%0.30543%0.43SS..  trans-72.9108.8-175.4-173.7-17.4000109.7T88 N92 K93 R94T88-D90 PolarHBondContact O-N 2.69Å; D90-N92 PolarHBondContact O-N 3.49Å; D90-N92 WeakPolarHBondContact OD1-CB 3.45Å; D90-N92 PolarHBondContact OD1-N 3.12Å; D90-K93 HydrophobicContact CB-CB 4.06Å; D90-K93 HydrophobicContact CB-CD 3.98Å; D90-K93 HydrophobicContact CB-CG 3.99Å; D90-K93 PolarHBondContact O-N 3.42Å; D90-K93 PolarHBondContact OD1-N 3.14Å; D90-K93 WeakPolarHBondContact OD2-CG 3.32Å; D90-R94 PolarHBondContact O-N 3Å; D90-R94 VanDerWaalsContact O-N 3.11Å
91S69.4Low64.1Low80 Ų8085.2 Ų85.256%0.55942%0.424SS*.Hα-helixtrans-62.6-29.8179.554.30000112.4S89 R94 G95S89-S91 PolarHBondContact O-N 3.16Å; S91-R94 PolarHBondContact O-N 3.11Å; S91-G95 PolarHBondContact O-N 2.97Å
92N72.7Confident64.8Low120 Ų12087.3 Ų87.364%0.64243%0.43SS*.Hα-helixtrans-71.3-39.4178.4-65.2-25.6000110.6D90 G95 I96D90-N92 PolarHBondContact O-N 3.49Å; D90-N92 WeakPolarHBondContact OD1-CB 3.45Å; D90-N92 PolarHBondContact OD1-N 3.12Å; N92-G95 PolarHBondContact O-N 3.42Å; N92-I96 VanDerWaalsContact O-CG1 3.31Å; N92-I96 WeakPolarHBondContact O-CG1 3.39Å; N92-I96 PolarHBondContact O-N 2.66Å
93K64.4Low65.7Low99 Ų9990 Ų9043%0.4345%0.446SS..Hα-helixtrans-63.6-42.4173.1-71.6-177-173.7-177.80111.9A85 D90 I96 L97A85-K93 HydrophobicContact CB-CB 4.09Å; D90-K93 HydrophobicContact CB-CB 4.06Å; D90-K93 HydrophobicContact CB-CD 3.98Å; D90-K93 HydrophobicContact CB-CG 3.99Å; D90-K93 PolarHBondContact O-N 3.42Å; D90-K93 PolarHBondContact OD1-N 3.14Å; D90-K93 WeakPolarHBondContact OD2-CG 3.32Å; K93-I96 PolarHBondContact O-N 3.34Å; K93-L97 WeakPolarHBondContact O-CB 3.47Å; K93-L97 PolarHBondContact O-N 3.44Å
94R64Low66.2Low107 Ų10786.6 Ų86.640%0.40443%0.433SS..Hα-helixtrans-59-46.4174.2-76.2-175.6-94-175.6-5.7112.1A85 S89 D90 S91 I96 L97 E98A85-R94 HydrophobicContact CB-CG 4.36Å; S89-R94 PolarHBondContact O-NH2 3.21Å; D90-R94 PolarHBondContact O-N 3Å; D90-R94 VanDerWaalsContact O-N 3.11Å; S91-R94 PolarHBondContact O-N 3.11Å; R94-I96 VanDerWaalsContact C-N 3.31Å; R94-I96 PolarHBondContact O-N 2.98Å; R94-L97 WeakPolarHBondContact O-CB 2.98Å; R94-L97 PolarHBondContact O-N 3.28Å; R94-E98 WeakPolarHBondContact O-CG 3.43Å; R94-E98 PolarHBondContact O-N 2.9Å
95G70.1Confident66.8Low22 Ų2285 Ų8523%0.22743%0.427CS..Hα-helixtrans-71.9-18.8178.200000115S91 N92 R99S91-G95 PolarHBondContact O-N 2.97Å; N92-G95 PolarHBondContact O-N 3.42Å; G95-R99 PolarHBondContact O-NE 3.36Å; G95-R99 PolarHBondContact O-NH2 2.88Å
96I69.1Low67.8Low74 Ų7488.6 Ų88.638%0.37945%0.447SS..Hα-helixtrans-74.4-47.5167.8-71.1163.3000109.4N92 K93 R94 E98 R99 E100N92-I96 VanDerWaalsContact O-CG1 3.31Å; N92-I96 WeakPolarHBondContact O-CG1 3.39Å; N92-I96 PolarHBondContact O-N 2.66Å; K93-I96 PolarHBondContact O-N 3.34Å; R94-I96 VanDerWaalsContact C-N 3.31Å; R94-I96 PolarHBondContact O-N 2.98Å; I96-E98 PolarHBondContact O-N 3.45Å; I96-R99 VanDerWaalsContact CG1-NH2 3.29Å; I96-R99 WeakPolarHBondContact O-CB 3.49Å; I96-R99 PolarHBondContact O-N 3.22Å; I96-R99 VanDerWaalsContact O-N 3.13Å; I96-E100 HydrophobicContact CG2-CG 4.39Å; I96-E100 PolarHBondContact O-N 2.87Å
97L64.5Low69Low4 Ų485.2 Ų85.22%0.02144%0.438CS..Hα-helixtrans-60.5-45.3178.3-87165.5000114T81 A85 K93 R94 R99 E100 V101T81-L97 HydrophobicContact CG2-CD1 4.19Å; T81-L97 HydrophobicContact CG2-CD2 3.22Å; T81-L97 HydrophobicContact CG2-CG 3.9Å; T81-L97 WeakPolarHBondContact O-CD1 3.39Å; A85-L97 HydrophobicContact CB-CD1 3.06Å; A85-L97 HydrophobicContact CB-CG 4.48Å; K93-L97 WeakPolarHBondContact O-CB 3.47Å; K93-L97 PolarHBondContact O-N 3.44Å; R94-L97 WeakPolarHBondContact O-CB 2.98Å; R94-L97 PolarHBondContact O-N 3.28Å; L97-R99 PolarHBondContact O-N 3.38Å; L97-E100 PolarHBondContact O-N 2.91Å; L97-E100 VanDerWaalsContact O-N 3.1Å; L97-V101 WeakPolarHBondContact O-CB 3.39Å; L97-V101 WeakPolarHBondContact O-CG2 3.49Å; L97-V101 PolarHBondContact O-N 2.95Å
98E69.2Low69.3Low138 Ų13881.4 Ų81.465%0.64542%0.417SS*.Hα-helixtrans-55.8-36.5176.1-75170.2175.900111.2R94 I96 E102R94-E98 WeakPolarHBondContact O-CG 3.43Å; R94-E98 PolarHBondContact O-N 2.9Å; I96-E98 PolarHBondContact O-N 3.45Å; E98-E102 VanDerWaalsContact O-CB 3.28Å; E98-E102 WeakPolarHBondContact O-CB 3.36Å; E98-E102 PolarHBondContact O-N 2.87Å
99R73.3Confident69.6Low154 Ų15481.9 Ų81.958%0.58142%0.418SS*.Hα-helixtrans-72.6-43.7174.6-75.3179.9-74.1140.2-5.2112.6G95 I96 L97 V101 E102 D103G95-R99 PolarHBondContact O-NE 3.36Å; G95-R99 PolarHBondContact O-NH2 2.88Å; I96-R99 VanDerWaalsContact CG1-NH2 3.29Å; I96-R99 WeakPolarHBondContact O-CB 3.49Å; I96-R99 PolarHBondContact O-N 3.22Å; I96-R99 VanDerWaalsContact O-N 3.13Å; L97-R99 PolarHBondContact O-N 3.38Å; R99-V101 VanDerWaalsContact C-N 3.29Å; R99-V101 PolarHBondContact O-N 3.09Å; R99-E102 PolarHBondContact O-N 3.42Å; R99-D103 WeakPolarHBondContact O-CB 3.38Å; R99-D103 VanDerWaalsContact O-CG 3.23Å; R99-D103 PolarHBondContact O-N 3.48Å
100E72.2Confident70.2Confident90 Ų9080.7 Ų80.742%0.42141%0.413SS..Hα-helixtrans-62.3-38176.7-71177.1178.700111.9I96 L97 L104I96-E100 HydrophobicContact CG2-CG 4.39Å; I96-E100 PolarHBondContact O-N 2.87Å; L97-E100 PolarHBondContact O-N 2.91Å; L97-E100 VanDerWaalsContact O-N 3.1Å; E100-L104 WeakPolarHBondContact O-CB 3.48Å; E100-L104 WeakPolarHBondContact O-CG 3.14Å; E100-L104 PolarHBondContact O-N 3.47Å
101V70.9Confident70.1Confident44 Ų4480.6 Ų80.627%0.26741%0.412SS..Hα-helixtrans-63.9-47.7173.6176.20000110.7L78 L97 R99 L104 I105L78-V101 HydrophobicContact CD1-CB 3.95Å; L78-V101 HydrophobicContact CD1-CG1 4.35Å; L78-V101 HydrophobicContact CD1-CG2 3.45Å; L78-V101 VanDerWaalsContact CD1-CG2 3.45Å; L78-V101 HydrophobicContact CD2-CG2 3.96Å; L78-V101 HydrophobicContact CG-CG2 3.83Å; L97-V101 WeakPolarHBondContact O-CB 3.39Å; L97-V101 WeakPolarHBondContact O-CG2 3.49Å; L97-V101 PolarHBondContact O-N 2.95Å; R99-V101 VanDerWaalsContact C-N 3.29Å; R99-V101 PolarHBondContact O-N 3.09Å; V101-L104 PolarHBondContact O-N 2.8Å; V101-I105 HydrophobicContact CG1-CD1 3.89Å; V101-I105 HydrophobicContact CG1-CG1 4.48Å; V101-I105 VanDerWaalsContact O-CG1 3.32Å; V101-I105 WeakPolarHBondContact O-CG1 3.43Å; V101-I105 PolarHBondContact O-N 3.09Å
102E73.3Confident69.8Low98 Ų9881.9 Ų81.946%0.45841%0.409SS..Hα-helixtrans-62.7-42.4178.3-174.860-143.500111.5E98 R99 L104 I105 N106E98-E102 VanDerWaalsContact O-CB 3.28Å; E98-E102 WeakPolarHBondContact O-CB 3.36Å; E98-E102 PolarHBondContact O-N 2.87Å; R99-E102 PolarHBondContact O-N 3.42Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.31Å; E102-I105 PolarHBondContact O-N 3.11Å; E102-N106 WeakPolarHBondContact O-CB 3.27Å; E102-N106 VanDerWaalsContact O-CG 3.32Å; E102-N106 PolarHBondContact O-N 2.88Å; E102-N106 PolarHBondContact O-ND2 3.41Å; E102-N106 PolarHBondContact OE1-ND2 2.99Å
103D75.2Confident69.7Low108 Ų10879 Ų7958%0.57840%0.403SS*.Hα-helixtrans-61.2-42.1175.9-72.8-20.1000111R99 N106 E107R99-D103 WeakPolarHBondContact O-CB 3.38Å; R99-D103 VanDerWaalsContact O-CG 3.23Å; R99-D103 PolarHBondContact O-N 3.48Å; D103-N106 PolarHBondContact O-N 2.79Å; D103-E107 PolarHBondContact O-N 2.93Å
104L68.2Low70Confident52 Ų5275.6 Ų75.627%0.27239%0.391SS..Hα-helixtrans-67.6-40.8175.7-80.5166.7000112.8L78 E100 V101 E102 N106 E107 I108L78-L104 HydrophobicContact CB-CD1 4.38Å; L78-L104 HydrophobicContact CD1-CD1 3.36Å; E100-L104 WeakPolarHBondContact O-CB 3.48Å; E100-L104 WeakPolarHBondContact O-CG 3.14Å; E100-L104 PolarHBondContact O-N 3.47Å; V101-L104 PolarHBondContact O-N 2.8Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.31Å; L104-N106 VanDerWaalsContact C-N 3.27Å; L104-N106 PolarHBondContact O-N 3.4Å; L104-E107 PolarHBondContact O-N 3.4Å; L104-I108 WeakPolarHBondContact O-CB 3.46Å; L104-I108 VanDerWaalsContact O-CG1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 2.71Å
105I71Confident70.3Confident72 Ų7275.6 Ų75.637%0.36941%0.405SS..Hα-helixtrans-59-44.1173-73168.4000109.8V101 E102 I108 N109V101-I105 HydrophobicContact CG1-CD1 3.89Å; V101-I105 HydrophobicContact CG1-CG1 4.48Å; V101-I105 VanDerWaalsContact O-CG1 3.32Å; V101-I105 WeakPolarHBondContact O-CG1 3.43Å; V101-I105 PolarHBondContact O-N 3.09Å; E102-I105 PolarHBondContact O-N 3.11Å; I105-I108 PolarHBondContact O-N 2.89Å; I105-N109 WeakPolarHBondContact O-CB 3.23Å; I105-N109 PolarHBondContact O-N 3.46Å; I105-N109 PolarHBondContact O-ND2 2.97Å
106N76.2Confident70.3Confident79 Ų7983.3 Ų83.342%0.42243%0.432SS..Hα-helixtrans-66.6-37.3178.3-74.1-49.4000112.4E102 D103 L104 A110E102-N106 WeakPolarHBondContact O-CB 3.27Å; E102-N106 VanDerWaalsContact O-CG 3.32Å; E102-N106 PolarHBondContact O-N 2.88Å; E102-N106 PolarHBondContact O-ND2 3.41Å; E102-N106 PolarHBondContact OE1-ND2 2.99Å; D103-N106 PolarHBondContact O-N 2.79Å; L104-N106 VanDerWaalsContact C-N 3.27Å; L104-N106 PolarHBondContact O-N 3.4Å; N106-A110 VanDerWaalsContact O-CB 3.3Å; N106-A110 WeakPolarHBondContact O-CB 3.21Å; N106-A110 PolarHBondContact O-N 3.24Å
107E74.4Confident70Confident105 Ų10583.6 Ų83.649%0.49143%0.431SS..Hα-helixtrans-65.2-43.7173.6-168.8177.3179.300111.6D103 L104 A110 L111D103-E107 PolarHBondContact O-N 2.93Å; L104-E107 PolarHBondContact O-N 3.4Å; E107-A110 PolarHBondContact O-N 3.16Å; E107-L111 HydrophobicContact CG-CD1 3.88Å; E107-L111 WeakPolarHBondContact O-CB 3.35Å; E107-L111 VanDerWaalsContact O-CG 3.28Å; E107-L111 WeakPolarHBondContact O-CG 3.27Å; E107-L111 PolarHBondContact O-N 3.27Å
108I65.8Low70.2Confident47 Ų4788.5 Ų88.524%0.24145%0.452CS..Hα-helixtrans-59.6-50.6174.9-70.9165.3000110.2Y71 L104 I105 A110 L111 E112Y71-I108 HydrophobicContact CD1-CG1 4.17Å; Y71-I108 HydrophobicContact CE1-CG1 3.89Å; L104-I108 WeakPolarHBondContact O-CB 3.46Å; L104-I108 VanDerWaalsContact O-CG1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.44Å; L104-I108 PolarHBondContact O-N 2.71Å; I105-I108 PolarHBondContact O-N 2.89Å; I108-A110 VanDerWaalsContact C-N 3.29Å; I108-A110 PolarHBondContact O-N 3.11Å; I108-L111 PolarHBondContact O-N 2.99Å; I108-L111 VanDerWaalsContact O-N 3.07Å; I108-E112 HydrophobicContact CG2-CG 4.38Å; I108-E112 WeakPolarHBondContact O-CG 3.32Å; I108-E112 PolarHBondContact O-N 3.43Å
109N70.6Confident70.1Confident80 Ų8083.6 Ų83.643%0.42844%0.435SS..Hα-helixtrans-59.8-40.2178.4-71.5-26000111.7I105 L111 A113I105-N109 WeakPolarHBondContact O-CB 3.23Å; I105-N109 PolarHBondContact O-N 3.46Å; I105-N109 PolarHBondContact O-ND2 2.97Å; N109-L111 VanDerWaalsContact C-N 3.33Å; N109-A113 WeakPolarHBondContact O-CB 3.41Å; N109-A113 PolarHBondContact O-N 3.42Å
110A73.5Confident69.4Low64 Ų6478.3 Ų78.353%0.52942%0.424SS..Hα-helixtrans-66.6-35.2176.600000112.2N106 E107 I108 S114N106-A110 VanDerWaalsContact O-CB 3.3Å; N106-A110 WeakPolarHBondContact O-CB 3.21Å; N106-A110 PolarHBondContact O-N 3.24Å; E107-A110 PolarHBondContact O-N 3.16Å; I108-A110 VanDerWaalsContact C-N 3.29Å; I108-A110 PolarHBondContact O-N 3.11Å; A110-S114 WeakPolarHBondContact O-CB 3.15Å; A110-S114 PolarHBondContact O-N 3.37Å
111L64.3Low68.9Low56 Ų5679.1 Ų79.129%0.29343%0.428SS..Hα-helixtrans-73.1-44.6177.4-74.1164.3000111.7Y71 E107 I108 N109 A113 S114 F117Y71-L111 HydrophobicContact CE1-CD1 4.05Å; Y71-L111 WeakPolarHBondContact OH-CB 3.4Å; Y71-L111 WeakPolarHBondContact OH-CD1 3.31Å; E107-L111 HydrophobicContact CG-CD1 3.88Å; E107-L111 WeakPolarHBondContact O-CB 3.35Å; E107-L111 VanDerWaalsContact O-CG 3.28Å; E107-L111 WeakPolarHBondContact O-CG 3.27Å; E107-L111 PolarHBondContact O-N 3.27Å; I108-L111 PolarHBondContact O-N 2.99Å; I108-L111 VanDerWaalsContact O-N 3.07Å; N109-L111 VanDerWaalsContact C-N 3.33Å; L111-A113 VanDerWaalsContact C-N 3.3Å; L111-A113 PolarHBondContact O-N 3.2Å; L111-S114 WeakPolarHBondContact O-CB 3.28Å; L111-S114 PolarHBondContact O-N 2.89Å; L111-S114 PolarHBondContact O-OG 3.41Å; L111-F117 WeakPolarHBondContact O-CB 3.41Å
112E62.3Low68.7Low106 Ų10683.2 Ų83.250%0.49544%0.444SS..Hα-helixtrans-61-38.7172.4-71.7-175.7166.400111.8I108 S114I108-E112 HydrophobicContact CG2-CG 4.38Å; I108-E112 WeakPolarHBondContact O-CG 3.32Å; I108-E112 PolarHBondContact O-N 3.43Å; E112-S114 PolarHBondContact O-N 2.8Å
113A70.7Confident68.2Low61 Ų6187.1 Ų87.150%0.50446%0.455SS..THydrogen-bonded Turntrans-74-13.7173.600000113.1N109 L111N109-A113 WeakPolarHBondContact O-CB 3.41Å; N109-A113 PolarHBondContact O-N 3.42Å; L111-A113 VanDerWaalsContact C-N 3.3Å; L111-A113 PolarHBondContact O-N 3.2Å
114S71.8Confident67.5Low26 Ų2684.3 Ų84.318%0.18244%0.44CS..SBendtrans-66.7137.7-173.280.80000110.9A110 L111 E112 K116 F117 K118A110-S114 WeakPolarHBondContact O-CB 3.15Å; A110-S114 PolarHBondContact O-N 3.37Å; L111-S114 WeakPolarHBondContact O-CB 3.28Å; L111-S114 PolarHBondContact O-N 2.89Å; L111-S114 PolarHBondContact O-OG 3.41Å; E112-S114 PolarHBondContact O-N 2.8Å; S114-K116 PolarHBondContact O-N 2.85Å; S114-K116 VanDerWaalsContact O-N 3.11Å; S114-F117 PolarHBondContact O-N 3.12Å; S114-F117 VanDerWaalsContact O-N 3.13Å; S114-F117 WeakPolarHBondContact OG-CB 3.45Å; S114-F117 PolarHBondContact OG-N 3.14Å; S114-F117 VanDerWaalsContact OG-N 3.17Å; S114-K118 PolarHBondContact O-N 3.31Å; S114-K118 VanDerWaalsContact O-N 3.11Å
115P70.1Confident67.1Low108 Ų10886.3 Ų86.370%0.70145%0.45SS*.Hα-helixtrans-58.3-28.2177-26.234.1000113.2A119P115-A119 WeakPolarHBondContact O-CB 3.45Å; P115-A119 PolarHBondContact O-N 2.76Å
116K70.6Confident66.9Low183 Ų18386.4 Ų86.480%0.79645%0.452SS*.Hα-helixtrans-70.4-42.5178.5-70.3-176.6179178.40111.9S114 A120S114-K116 PolarHBondContact O-N 2.85Å; S114-K116 VanDerWaalsContact O-N 3.11Å; K116-A120 WeakPolarHBondContact O-CB 3.41Å; K116-A120 PolarHBondContact O-N 2.78Å
117F61Low66Low81 Ų8185.1 Ų85.136%0.35545%0.447SS..Hα-helixtrans-65.8-48.8176.9-173.6-93.4000110.5L111 S114 A119 A120 E121L111-F117 WeakPolarHBondContact O-CB 3.41Å; S114-F117 PolarHBondContact O-N 3.12Å; S114-F117 VanDerWaalsContact O-N 3.13Å; S114-F117 WeakPolarHBondContact OG-CB 3.45Å; S114-F117 PolarHBondContact OG-N 3.14Å; S114-F117 VanDerWaalsContact OG-N 3.17Å; F117-A119 VanDerWaalsContact C-N 3.34Å; F117-A119 PolarHBondContact O-N 3.01Å; F117-A120 WeakPolarHBondContact O-CA 3.48Å; F117-A120 WeakPolarHBondContact O-CB 3.47Å; F117-A120 PolarHBondContact O-N 3.01Å; F117-E121 PolarHBondContact O-N 3.35Å
118K68.9Low65Low106 Ų10684 Ų8446%0.46145%0.447SS..Hα-helixtrans-58.4-44175.4-68.6-172.7175.9-177.10112.8S114 A120 E121 E122S114-K118 PolarHBondContact O-N 3.31Å; S114-K118 VanDerWaalsContact O-N 3.11Å; K118-A120 VanDerWaalsContact C-N 3.29Å; K118-A120 PolarHBondContact O-N 3.03Å; K118-E121 PolarHBondContact O-N 2.86Å; K118-E122 VanDerWaalsContact O-CB 3.31Å; K118-E122 WeakPolarHBondContact O-CB 3.11Å; K118-E122 VanDerWaalsContact O-CG 3.3Å; K118-E122 WeakPolarHBondContact O-CG 3.35Å; K118-E122 PolarHBondContact O-N 3.43Å
119A67.7Low64.9Low35 Ų3585.3 Ų85.329%0.28946%0.455SS..Hα-helixtrans-65.3-32.3176.300000112.7P115 F117 R123P115-A119 WeakPolarHBondContact O-CB 3.45Å; P115-A119 PolarHBondContact O-N 2.76Å; F117-A119 VanDerWaalsContact C-N 3.34Å; F117-A119 PolarHBondContact O-N 3.01Å; A119-R123 VanDerWaalsContact O-CB 3.25Å; A119-R123 WeakPolarHBondContact O-CB 3.49Å; A119-R123 WeakPolarHBondContact O-CD 3.12Å; A119-R123 WeakPolarHBondContact O-CG 3.41Å; A119-R123 PolarHBondContact O-N 2.88Å
120A59.6Low64.5Low43 Ų4387.4 Ų87.436%0.35546%0.46SS..Hα-helixtrans-70.9-42.3173.900000111.5K116 F117 K118 R123 N124K116-A120 WeakPolarHBondContact O-CB 3.41Å; K116-A120 PolarHBondContact O-N 2.78Å; F117-A120 WeakPolarHBondContact O-CA 3.48Å; F117-A120 WeakPolarHBondContact O-CB 3.47Å; F117-A120 PolarHBondContact O-N 3.01Å; K118-A120 VanDerWaalsContact C-N 3.29Å; K118-A120 PolarHBondContact O-N 3.03Å; A120-R123 PolarHBondContact O-N 3.44Å; A120-N124 WeakPolarHBondContact O-CB 3.25Å; A120-N124 PolarHBondContact O-N 3.4Å
121E60Low63.6Low107 Ų10787.7 Ų87.750%0.545%0.448SS..Hα-helixtrans-62.5-48.3174.6-171.9178.1-165.200111.5F117 K118 R123 N124 L125F117-E121 PolarHBondContact O-N 3.35Å; K118-E121 PolarHBondContact O-N 2.86Å; E121-R123 VanDerWaalsContact C-N 3.33Å; E121-R123 PolarHBondContact O-N 3.46Å; E121-N124 PolarHBondContact O-N 3.11Å; E121-L125 HydrophobicContact CG-CD1 4.16Å; E121-L125 WeakPolarHBondContact O-CB 3.14Å; E121-L125 WeakPolarHBondContact O-CG 3.02Å; E121-L125 PolarHBondContact O-N 3.39Å
122E67.8Low63.2Low130 Ų13086.1 Ų86.161%0.60744%0.439SS*.Hα-helixtrans-60.5-39.8174.7-75.9175.1-174.900112.1K118 L125 D126K118-E122 VanDerWaalsContact O-CB 3.31Å; K118-E122 WeakPolarHBondContact O-CB 3.11Å; K118-E122 VanDerWaalsContact O-CG 3.3Å; K118-E122 WeakPolarHBondContact O-CG 3.35Å; K118-E122 PolarHBondContact O-N 3.43Å; E122-L125 PolarHBondContact O-N 3.24Å; E122-D126 WeakPolarHBondContact O-CB 3.45Å; E122-D126 PolarHBondContact O-N 2.96Å
123R63.1Low63.3Low180 Ų18084.2 Ų84.268%0.67943%0.432SS*.Hα-helixtrans-67.4-39.8174.9-79.6172.1-177.6-175.11.1112.2A119 A120 E121 L125 D126 T127A119-R123 VanDerWaalsContact O-CB 3.25Å; A119-R123 WeakPolarHBondContact O-CB 3.49Å; A119-R123 WeakPolarHBondContact O-CD 3.12Å; A119-R123 WeakPolarHBondContact O-CG 3.41Å; A119-R123 PolarHBondContact O-N 2.88Å; A120-R123 PolarHBondContact O-N 3.44Å; E121-R123 VanDerWaalsContact C-N 3.33Å; E121-R123 PolarHBondContact O-N 3.46Å; R123-L125 VanDerWaalsContact C-N 3.33Å; R123-D126 PolarHBondContact O-N 2.81Å; R123-T127 WeakPolarHBondContact O-CB 3.31Å; R123-T127 PolarHBondContact O-N 2.85Å; R123-T127 PolarHBondContact O-OG1 3.28Å
124N59.6Low62.7Low50 Ų5083.5 Ų83.527%0.26743%0.426SS..Hα-helixtrans-64.8-40.6175.2-76.8-14.8000110.6N64 A120 E121 T127 T128N64-N124 PolarHBondContact ND2-ND2 2.97Å; A120-N124 WeakPolarHBondContact O-CB 3.25Å; A120-N124 PolarHBondContact O-N 3.4Å; E121-N124 PolarHBondContact O-N 3.11Å; N124-T127 PolarHBondContact O-N 3.04Å; N124-T128 WeakPolarHBondContact O-CB 3.34Å; N124-T128 PolarHBondContact O-N 3.22Å; N124-T128 PolarHBondContact O-OG1 2.88Å
125L61Low61.8Low93 Ų9384.7 Ų84.749%0.48743%0.43SS..Hα-helixtrans-62-49.4172.3-78.3159.3000111.7E121 E122 R123 T127 T128 D129E121-L125 HydrophobicContact CG-CD1 4.16Å; E121-L125 WeakPolarHBondContact O-CB 3.14Å; E121-L125 WeakPolarHBondContact O-CG 3.02Å; E121-L125 PolarHBondContact O-N 3.39Å; E122-L125 PolarHBondContact O-N 3.24Å; R123-L125 VanDerWaalsContact C-N 3.33Å; L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 PolarHBondContact O-N 3.13Å; L125-T128 CarbonylContact O-C 3.55Å; L125-T128 WeakPolarHBondContact O-CA 3.41Å; L125-T128 WeakPolarHBondContact O-CB 3.47Å; L125-T128 PolarHBondContact O-N 2.91Å; L125-T128 VanDerWaalsContact O-N 3.11Å; L125-D129 WeakPolarHBondContact O-CB 3.41Å; L125-D129 PolarHBondContact O-N 3.11Å
126D66Low61.3Low75 Ų7580.6 Ų80.640%0.40140%0.402SS..Hα-helixtrans-59.6-40.3176.9175.761.1000112E122 R123 D129 K130E122-D126 WeakPolarHBondContact O-CB 3.45Å; E122-D126 PolarHBondContact O-N 2.96Å; R123-D126 PolarHBondContact O-N 2.81Å; D126-D129 PolarHBondContact O-N 3.37Å; D126-K130 WeakPolarHBondContact O-CB 3.45Å; D126-K130 VanDerWaalsContact O-CG 3.27Å; D126-K130 WeakPolarHBondContact O-CG 3.44Å; D126-K130 PolarHBondContact O-N 2.77Å; D126-K130 WeakPolarHBondContact OD1-CE 3.4Å; D126-K130 IonicContact OD1-NZ 2.68Å; D126-K130 WeakPolarHBondContact OD2-CE 3.5Å; D126-K130 IonicContact OD2-NZ 2.85Å; D126-K130 PolarHBondContact OD2-NZ 3.34Å
127T58.1Low61Low52 Ų5276.4 Ų76.432%0.31939%0.389SS..Hα-helixtrans-66.5-43.1176-47.50000110.2R123 N124 L125 K130 Y131R123-T127 WeakPolarHBondContact O-CB 3.31Å; R123-T127 PolarHBondContact O-N 2.85Å; R123-T127 PolarHBondContact O-OG1 3.28Å; N124-T127 PolarHBondContact O-N 3.04Å; L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 PolarHBondContact O-N 3.13Å; T127-K130 PolarHBondContact O-N 3.17Å; T127-Y131 HydrophobicContact CG2-CD2 4.14Å; T127-Y131 HydrophobicContact CG2-CE2 3.34Å; T127-Y131 WeakPolarHBondContact O-CD2 3.26Å; T127-Y131 PolarHBondContact O-N 2.79Å
128T52.4Low60.4Low82 Ų8276.8 Ų76.850%0.50339%0.391SS..Hα-helixtrans-62-43.4175.6-550000112N124 L125 Y131 F132N124-T128 WeakPolarHBondContact O-CB 3.34Å; N124-T128 PolarHBondContact O-N 3.22Å; N124-T128 PolarHBondContact O-OG1 2.88Å; L125-T128 CarbonylContact O-C 3.55Å; L125-T128 WeakPolarHBondContact O-CA 3.41Å; L125-T128 WeakPolarHBondContact O-CB 3.47Å; L125-T128 PolarHBondContact O-N 2.91Å; L125-T128 VanDerWaalsContact O-N 3.11Å; T128-Y131 WeakPolarHBondContact O-CB 3.43Å; T128-Y131 PolarHBondContact O-N 2.78Å; T128-F132 WeakPolarHBondContact O-CB 3.28Å; T128-F132 PolarHBondContact O-N 3.32Å
129D63.8Low59.8Low74 Ų7473.1 Ų73.140%0.39638%0.376SS..Hα-helixtrans-66.3-39.4177.6-78.2-18.7000111.6L125 D126 F132 N133L125-D129 WeakPolarHBondContact O-CB 3.41Å; L125-D129 PolarHBondContact O-N 3.11Å; D126-D129 PolarHBondContact O-N 3.37Å; D129-F132 WeakPolarHBondContact O-CB 3.38Å; D129-F132 PolarHBondContact O-N 3.01Å; D129-N133 WeakPolarHBondContact O-CB 3.25Å; D129-N133 VanDerWaalsContact O-CG 3.25Å; D129-N133 PolarHBondContact O-N 2.83Å; D129-N133 PolarHBondContact O-ND2 2.69Å; D129-N133 VanDerWaalsContact O-ND2 3.09Å
130K63.2Low59.7Low124 Ų12476.9 Ų76.954%0.53939%0.388SS..Hα-helixtrans-60.7-44.9172.2-79.1168.1178.8163.10111.7D126 T127 F132 N133 A134D126-K130 WeakPolarHBondContact O-CB 3.45Å; D126-K130 VanDerWaalsContact O-CG 3.27Å; D126-K130 WeakPolarHBondContact O-CG 3.44Å; D126-K130 PolarHBondContact O-N 2.77Å; D126-K130 WeakPolarHBondContact OD1-CE 3.4Å; D126-K130 IonicContact OD1-NZ 2.68Å; D126-K130 WeakPolarHBondContact OD2-CE 3.5Å; D126-K130 IonicContact OD2-NZ 2.85Å; D126-K130 PolarHBondContact OD2-NZ 3.34Å; T127-K130 PolarHBondContact O-N 3.17Å; K130-F132 VanDerWaalsContact C-N 3.29Å; K130-F132 PolarHBondContact O-N 3Å; K130-N133 PolarHBondContact O-N 3.24Å; K130-A134 PolarHBondContact O-N 2.96Å
131Y52.7Low59.6Low69 Ų6979.2 Ų79.227%0.27139%0.394SS..Hα-helixtrans-59.3-44.1173.3-66.2-50.1000111.3L51 T127 T128 N133 A134 L135L51-Y131 HydrophobicContact CD1-CD1 4.22Å; L51-Y131 HydrophobicContact CD1-CE1 4.08Å; L51-Y131 HydrophobicContact CD2-CE1 3.72Å; L51-Y131 HydrophobicContact CG-CE1 4.43Å; T127-Y131 HydrophobicContact CG2-CD2 4.14Å; T127-Y131 HydrophobicContact CG2-CE2 3.34Å; T127-Y131 WeakPolarHBondContact O-CD2 3.26Å; T127-Y131 PolarHBondContact O-N 2.79Å; T128-Y131 WeakPolarHBondContact O-CB 3.43Å; T128-Y131 PolarHBondContact O-N 2.78Å; Y131-N133 VanDerWaalsContact C-N 3.34Å; Y131-N133 PolarHBondContact O-N 3.12Å; Y131-A134 PolarHBondContact O-N 3Å; Y131-L135 WeakPolarHBondContact O-CB 3.3Å; Y131-L135 PolarHBondContact O-N 2.89Å
132F56.4Low59.1Low24 Ų2475.7 Ų75.711%0.10538%0.378CS..Hα-helixtrans-62.3-43.3-179.3-156-78.1000112.4Y8 P9 I14 T128 D129 K130 L135 N136Y8-F132 VanDerWaalsContact CB-CE2 3.4Å; Y8-F132 AromaticContact CD1-CD1 2.95Å; Y8-F132 HydrophobicContact CD1-CD1 2.95Å; Y8-F132 AromaticContact CD1-CE1 2.89Å; Y8-F132 HydrophobicContact CD1-CE1 2.89Å; Y8-F132 AromaticContact CD1-CG 3.99Å; Y8-F132 HydrophobicContact CD1-CG 3.99Å; Y8-F132 AromaticContact CD1-CZ 3.89Å; Y8-F132 HydrophobicContact CD1-CZ 3.89Å; Y8-F132 HydrophobicContact CD2-CB 4.46Å; Y8-F132 AromaticContact CD2-CD1 3.6Å; Y8-F132 HydrophobicContact CD2-CD1 3.6Å; Y8-F132 HydrophobicContact CD2-CE1 4.18Å; Y8-F132 AromaticContact CD2-CG 3.84Å; Y8-F132 HydrophobicContact CD2-CG 3.84Å; Y8-F132 AromaticContact CE1-CD1 3.39Å; Y8-F132 HydrophobicContact CE1-CD1 3.39Å; Y8-F132 AromaticContact CE1-CE1 3.71Å; Y8-F132 HydrophobicContact CE1-CE1 3.71Å; Y8-F132 HydrophobicContact CE1-CG 4.47Å; Y8-F132 HydrophobicContact CE2-CD1 4.04Å; Y8-F132 HydrophobicContact CE2-CG 4.42Å; Y8-F132 AromaticContact CG-CD1 3.01Å; Y8-F132 HydrophobicContact CG-CD1 3.01Å; Y8-F132 HydrophobicContact CG-CD2 4.12Å; Y8-F132 AromaticContact CG-CE1 3.14Å; Y8-F132 HydrophobicContact CG-CE1 3.14Å; Y8-F132 HydrophobicContact CG-CE2 4.22Å; Y8-F132 AromaticContact CG-CG 3.57Å; Y8-F132 HydrophobicContact CG-CG 3.57Å; Y8-F132 AromaticContact CG-CZ 3.79Å; Y8-F132 HydrophobicContact CG-CZ 3.79Å; Y8-F132 AromaticContact CZ-CD1 3.91Å; P9-F132 VanDerWaalsContact N-CZ 3.35Å; P9-F132 WeakPolarHBondContact O-CE2 3.33Å; P9-F132 WeakPolarHBondContact O-CZ 3.45Å; I14-F132 HydrophobicContact CD1-CE2 4.44Å; I14-F132 HydrophobicContact CD1-CZ 4.15Å; T128-F132 WeakPolarHBondContact O-CB 3.28Å; T128-F132 PolarHBondContact O-N 3.32Å; D129-F132 WeakPolarHBondContact O-CB 3.38Å; D129-F132 PolarHBondContact O-N 3.01Å; K130-F132 VanDerWaalsContact C-N 3.29Å; K130-F132 PolarHBondContact O-N 3Å; F132-L135 PolarHBondContact O-N 2.89Å; F132-N136 WeakPolarHBondContact CD1-ND2 3.16Å; F132-N136 VanDerWaalsContact CE1-CG 3.49Å; F132-N136 WeakPolarHBondContact CE1-ND2 3.07Å; F132-N136 WeakPolarHBondContact CE1-OD1 3.36Å; F132-N136 PolarHBondContact O-N 3.3Å; F132-N136 PolarHBondContact O-ND2 3.49Å
133N65.4Low58.4Low65 Ų6574.2 Ų74.235%0.34837%0.369SS..Hα-helixtrans-67.3-42.7178.4-68.2-34.9000111.6Y8 D129 K130 Y131 L135 N136 D137Y8-N133 PolarHBondContact OH-OD1 3.44Å; D129-N133 WeakPolarHBondContact O-CB 3.25Å; D129-N133 VanDerWaalsContact O-CG 3.25Å; D129-N133 PolarHBondContact O-N 2.83Å; D129-N133 PolarHBondContact O-ND2 2.69Å; D129-N133 VanDerWaalsContact O-ND2 3.09Å; K130-N133 PolarHBondContact O-N 3.24Å; Y131-N133 VanDerWaalsContact C-N 3.34Å; Y131-N133 PolarHBondContact O-N 3.12Å; N133-L135 VanDerWaalsContact C-N 3.32Å; N133-L135 PolarHBondContact O-N 3.38Å; N133-N136 WeakPolarHBondContact O-CB 3.33Å; N133-N136 PolarHBondContact O-N 3.1Å; N133-N136 VanDerWaalsContact O-N 3.12Å; N133-D137 PolarHBondContact O-N 3.39Å
134A58.3Low58Low46 Ų4669.3 Ų69.338%0.3836%0.357SS..Hα-helixtrans-59.9-42.1175.400000112.4K130 Y131 D137 H138K130-A134 PolarHBondContact O-N 2.96Å; Y131-A134 PolarHBondContact O-N 3Å; A134-D137 PolarHBondContact O-N 3.4Å; A134-H138 PolarHBondContact O-N 2.91Å; A134-H138 VanDerWaalsContact O-N 3.09Å
135L51.4Low57.4Low51 Ų5169.6 Ų69.627%0.26736%0.358SS..Hα-helixtrans-62.5-40.5173.9-85.9154.3000112.4A11 I14 Y131 F132 N133 H138 L139A11-L135 HydrophobicContact CB-CD1 4.42Å; I14-L135 HydrophobicContact CD1-CB 3.91Å; I14-L135 HydrophobicContact CD1-CD2 4.23Å; I14-L135 HydrophobicContact CD1-CG 4.48Å; I14-L135 HydrophobicContact CG2-CD2 3.91Å; Y131-L135 WeakPolarHBondContact O-CB 3.3Å; Y131-L135 PolarHBondContact O-N 2.89Å; F132-L135 PolarHBondContact O-N 2.89Å; N133-L135 VanDerWaalsContact C-N 3.32Å; N133-L135 PolarHBondContact O-N 3.38Å; L135-H138 PolarHBondContact O-N 3.07Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 3.5Å
136N59.7Low56.6Low23 Ų2368.1 Ų68.112%0.12335%0.349CS..Hα-helixtrans-64.3-42.9175-81.5-36.8000112.7Y8 F132 N133 H138 L139 E140Y8-N136 WeakPolarHBondContact CE1-ND2 3.43Å; F132-N136 WeakPolarHBondContact CD1-ND2 3.16Å; F132-N136 VanDerWaalsContact CE1-CG 3.49Å; F132-N136 WeakPolarHBondContact CE1-ND2 3.07Å; F132-N136 WeakPolarHBondContact CE1-OD1 3.36Å; F132-N136 PolarHBondContact O-N 3.3Å; F132-N136 PolarHBondContact O-ND2 3.49Å; N133-N136 WeakPolarHBondContact O-CB 3.33Å; N133-N136 PolarHBondContact O-N 3.1Å; N133-N136 VanDerWaalsContact O-N 3.12Å; N136-H138 VanDerWaalsContact C-N 3.29Å; N136-H138 PolarHBondContact O-N 3.29Å; N136-L139 WeakPolarHBondContact O-CB 3.31Å; N136-L139 PolarHBondContact O-N 3.33Å; N136-E140 PolarHBondContact O-N 2.92Å
137D64Low55.7Low95 Ų9569 Ų6951%0.50835%0.352SS..Hα-helixtrans-61.6-42.9179.6-69-12.6000109.8N133 A134 E140 I141N133-D137 PolarHBondContact O-N 3.39Å; A134-D137 PolarHBondContact O-N 3.4Å; D137-E140 PolarHBondContact O-N 2.82Å; D137-I141 WeakPolarHBondContact O-CG1 3.21Å; D137-I141 PolarHBondContact O-N 2.92Å
138H50.3Low55Low89 Ų8971.9 Ų71.941%0.41236%0.362SS..Hα-helixtrans-62.5-42.6173.7-68.1178.4000112.6L44 A134 L135 N136 E140 I141 L142L44-H138 HydrophobicContact CD2-CB 4.27Å; L44-H138 WeakPolarHBondContact CD2-ND1 3.34Å; A134-H138 PolarHBondContact O-N 2.91Å; A134-H138 VanDerWaalsContact O-N 3.09Å; L135-H138 PolarHBondContact O-N 3.07Å; N136-H138 VanDerWaalsContact C-N 3.29Å; N136-H138 PolarHBondContact O-N 3.29Å; H138-E140 VanDerWaalsContact C-N 3.3Å; H138-E140 PolarHBondContact O-N 2.84Å; H138-I141 WeakPolarHBondContact O-CB 2.94Å; H138-I141 PolarHBondContact O-N 3.47Å; H138-L142 WeakPolarHBondContact O-CG 3.28Å; H138-L142 PolarHBondContact O-N 3.26Å
139L54.4Low54.4Low28 Ų2870.9 Ų70.915%0.14735%0.349CS..Hα-helixtrans-62.3-37.1174.6-83.6176.3000113I14 L135 N136 L142 K143I14-L139 HydrophobicContact CB-CD1 4.28Å; I14-L139 HydrophobicContact CD1-CD1 3.76Å; I14-L139 HydrophobicContact CG1-CD1 3.78Å; I14-L139 HydrophobicContact CG2-CD1 3.79Å; I14-L139 HydrophobicContact CG2-CD2 3.91Å; I14-L139 HydrophobicContact CG2-CG 3.8Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 3.5Å; N136-L139 WeakPolarHBondContact O-CB 3.31Å; N136-L139 PolarHBondContact O-N 3.33Å; L139-L142 HydrophobicContact CD2-CD1 4.49Å; L139-L142 PolarHBondContact O-N 3.06Å; L139-K143 WeakPolarHBondContact O-CG 3.04Å; L139-K143 PolarHBondContact O-N 3.46Å
140E66.4Low53.5Low115 Ų11570.9 Ų70.954%0.53735%0.349SS..Hα-helixtrans-67.1-40176.5-173.6162179.700111.3N136 D137 H138 K143 N144N136-E140 PolarHBondContact O-N 2.92Å; D137-E140 PolarHBondContact O-N 2.82Å; H138-E140 VanDerWaalsContact C-N 3.3Å; H138-E140 PolarHBondContact O-N 2.84Å; E140-K143 PolarHBondContact O-N 2.88Å; E140-N144 WeakPolarHBondContact O-CB 3.41Å; E140-N144 VanDerWaalsContact O-CG 3.27Å; E140-N144 PolarHBondContact O-N 3.35Å; E140-N144 PolarHBondContact O-ND2 3.44Å
141I58.3Low52.9Low92 Ų9269 Ų6947%0.47234%0.344SS..Hα-helixtrans-57.4-49.7170.9-67.8164.8000110.3D137 H138 K143 N144 L145D137-I141 WeakPolarHBondContact O-CG1 3.21Å; D137-I141 PolarHBondContact O-N 2.92Å; H138-I141 WeakPolarHBondContact O-CB 2.94Å; H138-I141 PolarHBondContact O-N 3.47Å; I141-K143 PolarHBondContact O-N 2.88Å; I141-N144 PolarHBondContact O-N 3.46Å; I141-L145 HydrophobicContact CG2-CD1 3.93Å; I141-L145 HydrophobicContact CG2-CG 4.48Å; I141-L145 WeakPolarHBondContact O-CG 3.3Å; I141-L145 PolarHBondContact O-N 2.88Å
142L47.8Very low52.4Low32 Ų3268.6 Ų68.617%0.16835%0.349CS..Hα-helixtrans-61.2-40.9179.6-69.8170.9000112.7L18 H138 L139 L145 E146L18-L142 HydrophobicContact CD1-CD1 3.76Å; L18-L142 HydrophobicContact CD2-CD1 3.76Å; L18-L142 HydrophobicContact CG-CD1 3.63Å; H138-L142 WeakPolarHBondContact O-CG 3.28Å; H138-L142 PolarHBondContact O-N 3.26Å; L139-L142 HydrophobicContact CD2-CD1 4.49Å; L139-L142 PolarHBondContact O-N 3.06Å; L142-L145 PolarHBondContact O-N 3.24Å; L142-E146 PolarHBondContact O-N 2.9Å
143K54.1Low51.7Low99 Ų9971.1 Ų71.143%0.4336%0.363SS..Hα-helixtrans-63.4-42174.9-77.1179178.6-177.50112.4L139 E140 I141 L145 E146 I147L139-K143 WeakPolarHBondContact O-CG 3.04Å; L139-K143 PolarHBondContact O-N 3.46Å; E140-K143 PolarHBondContact O-N 2.88Å; I141-K143 PolarHBondContact O-N 2.88Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3.5Å; K143-E146 PolarHBondContact O-N 2.95Å; K143-I147 WeakPolarHBondContact O-CG1 3.43Å; K143-I147 PolarHBondContact O-N 3.44Å
144N54.4Low51.4Low78 Ų7874 Ų7442%0.41737%0.374SS..Hα-helixtrans-64.2-38.7177-71.9-28.4000111.2E140 I141 I147 Q148E140-N144 WeakPolarHBondContact O-CB 3.41Å; E140-N144 VanDerWaalsContact O-CG 3.27Å; E140-N144 PolarHBondContact O-N 3.35Å; E140-N144 PolarHBondContact O-ND2 3.44Å; I141-N144 PolarHBondContact O-N 3.46Å; N144-I147 PolarHBondContact O-N 3.26Å; N144-Q148 VanDerWaalsContact O-CG 3.32Å; N144-Q148 WeakPolarHBondContact O-CG 3.48Å; N144-Q148 PolarHBondContact O-N 2.87Å
145L46.5Very low51.1Low56 Ų5677.7 Ų77.729%0.29339%0.387SS..Hα-helixtrans-66.2-36.6173.3-68.1168.7000112.2E40 I141 L142 K143 Q148 R149E40-L145 WeakPolarHBondContact OE1-CD1 3.07Å; E40-L145 WeakPolarHBondContact OE2-CD1 3.17Å; I141-L145 HydrophobicContact CG2-CD1 3.93Å; I141-L145 HydrophobicContact CG2-CG 4.48Å; I141-L145 WeakPolarHBondContact O-CG 3.3Å; I141-L145 PolarHBondContact O-N 2.88Å; L142-L145 PolarHBondContact O-N 3.24Å; K143-L145 VanDerWaalsContact C-N 3.3Å; K143-L145 PolarHBondContact O-N 3.5Å; L145-Q148 WeakPolarHBondContact O-CB 3.26Å; L145-Q148 PolarHBondContact O-N 3.21Å; L145-R149 PolarHBondContact O-N 2.86Å
146E44.8Very low50.8Low62 Ų6279 Ų7929%0.2939%0.394SS..Hα-helixtrans-65.5-41.7173172.3158.6-124.800112.6L142 K143 Q148 R149 I150L142-E146 PolarHBondContact O-N 2.9Å; K143-E146 PolarHBondContact O-N 2.95Å; E146-Q148 VanDerWaalsContact C-N 3.32Å; E146-Q148 PolarHBondContact O-N 3.44Å; E146-R149 WeakPolarHBondContact O-CA 3.49Å; E146-R149 VanDerWaalsContact O-CB 3.23Å; E146-R149 WeakPolarHBondContact O-CB 3.4Å; E146-R149 PolarHBondContact O-N 3.01Å; E146-R149 VanDerWaalsContact O-N 3.09Å; E146-R149 IonicContact OE1-CZ 2.83Å; E146-R149 VanDerWaalsContact OE1-CZ 3.29Å; E146-R149 IonicContact OE1-NH1 2.74Å; E146-R149 PolarHBondContact OE1-NH1 2.9Å; E146-R149 IonicContact OE1-NH2 3.29Å; E146-R149 PolarHBondContact OE1-NH2 3.31Å; E146-I150 HydrophobicContact CG-CD1 4.45Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 2.87Å
147I47.6Very low50.9Low92 Ų9280.1 Ų80.147%0.47240%0.404SS..Hα-helixtrans-59.6-47.1173-68.5167.7000109.6K143 N144 R149 I150 D151K143-I147 WeakPolarHBondContact O-CG1 3.43Å; K143-I147 PolarHBondContact O-N 3.44Å; N144-I147 PolarHBondContact O-N 3.26Å; I147-R149 PolarHBondContact O-N 3.32Å; I147-I150 PolarHBondContact O-N 2.94Å; I147-I150 VanDerWaalsContact O-N 3.08Å; I147-D151 PolarHBondContact O-N 3.35Å
148Q44.1Very low50.5Low113 Ų11377.5 Ų77.553%0.52839%0.393SS..Hα-helixtrans-59.1-35.5174.7-70.5174.7900112.2N144 L145 E146 D151 V152N144-Q148 VanDerWaalsContact O-CG 3.32Å; N144-Q148 WeakPolarHBondContact O-CG 3.48Å; N144-Q148 PolarHBondContact O-N 2.87Å; L145-Q148 WeakPolarHBondContact O-CB 3.26Å; L145-Q148 PolarHBondContact O-N 3.21Å; E146-Q148 VanDerWaalsContact C-N 3.32Å; E146-Q148 PolarHBondContact O-N 3.44Å; Q148-D151 PolarHBondContact O-N 3.37Å; Q148-V152 VanDerWaalsContact O-CG2 3.3Å; Q148-V152 WeakPolarHBondContact O-CG2 3.37Å; Q148-V152 PolarHBondContact O-N 3.02Å
149R37.9Very low51Low61 Ų6179.1 Ų79.123%0.2340%0.399CS..Hα-helixtrans-61.4-45.8174.2-171.9-170.882.9-132.80.6111.3L145 E146 I147 V152 L153L145-R149 PolarHBondContact O-N 2.86Å; E146-R149 WeakPolarHBondContact O-CA 3.49Å; E146-R149 VanDerWaalsContact O-CB 3.23Å; E146-R149 WeakPolarHBondContact O-CB 3.4Å; E146-R149 PolarHBondContact O-N 3.01Å; E146-R149 VanDerWaalsContact O-N 3.09Å; E146-R149 IonicContact OE1-CZ 2.83Å; E146-R149 VanDerWaalsContact OE1-CZ 3.29Å; E146-R149 IonicContact OE1-NH1 2.74Å; E146-R149 PolarHBondContact OE1-NH1 2.9Å; E146-R149 IonicContact OE1-NH2 3.29Å; E146-R149 PolarHBondContact OE1-NH2 3.31Å; I147-R149 PolarHBondContact O-N 3.32Å; R149-V152 PolarHBondContact O-N 3.03Å; R149-L153 HydrophobicContact CG-CD1 4.2Å; R149-L153 WeakPolarHBondContact O-CG 3.27Å; R149-L153 PolarHBondContact O-N 2.9Å
150I46.5Very low51.8Low75 Ų7583.9 Ų83.939%0.38542%0.42SS..Hα-helixtrans-61.3-47.8178.9-67.9169000109.8E146 I147 V152 L153 E154E146-I150 HydrophobicContact CG-CD1 4.45Å; E146-I150 WeakPolarHBondContact O-CG1 3.48Å; E146-I150 PolarHBondContact O-N 2.87Å; I147-I150 PolarHBondContact O-N 2.94Å; I147-I150 VanDerWaalsContact O-N 3.08Å; I150-V152 VanDerWaalsContact C-N 3.34Å; I150-V152 PolarHBondContact O-N 2.95Å; I150-L153 PolarHBondContact O-N 3.24Å; I150-L153 VanDerWaalsContact O-N 3.14Å; I150-E154 PolarHBondContact O-N 3.45Å
151D50.2Low52.2Low84 Ų8484 Ų8445%0.44942%0.416SS..Hα-helixtrans-58.9-43.5178.7-67.9-18.1000112I147 Q148 L153 E154 L155I147-D151 PolarHBondContact O-N 3.35Å; Q148-D151 PolarHBondContact O-N 3.37Å; D151-L153 PolarHBondContact O-N 3.29Å; D151-E154 PolarHBondContact O-N 2.8Å; D151-L155 VanDerWaalsContact O-CG 3.32Å; D151-L155 WeakPolarHBondContact O-CG 3.41Å; D151-L155 PolarHBondContact O-N 2.87Å
152V41.7Very low52.9Low61 Ų6184 Ų8437%0.3742%0.416SS..Hα-helixtrans-65.1-39.9177.6170.30000111.8Q148 R149 I150 L155 L156Q148-V152 VanDerWaalsContact O-CG2 3.3Å; Q148-V152 WeakPolarHBondContact O-CG2 3.37Å; Q148-V152 PolarHBondContact O-N 3.02Å; R149-V152 PolarHBondContact O-N 3.03Å; I150-V152 VanDerWaalsContact C-N 3.34Å; I150-V152 PolarHBondContact O-N 2.95Å; V152-L155 PolarHBondContact O-N 2.96Å; V152-L156 HydrophobicContact CG1-CD1 4.06Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CG 3.44Å; V152-L156 PolarHBondContact O-N 3.42Å
153L41Very low54.1Low76 Ų7687.1 Ų87.140%0.39843%0.429SS..Hα-helixtrans-66.7-40.1177.6-72.4171.1000111.8R149 I150 D151 L155 L156 S157R149-L153 HydrophobicContact CG-CD1 4.2Å; R149-L153 WeakPolarHBondContact O-CG 3.27Å; R149-L153 PolarHBondContact O-N 2.9Å; I150-L153 PolarHBondContact O-N 3.24Å; I150-L153 VanDerWaalsContact O-N 3.14Å; D151-L153 PolarHBondContact O-N 3.29Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L153-L156 PolarHBondContact O-N 3.1Å; L153-S157 WeakPolarHBondContact O-CB 3.39Å; L153-S157 PolarHBondContact O-N 3.03Å
154E60.3Low55.4Low125 Ų12587 Ų8758%0.58443%0.432SS*.Hα-helixtrans-63-39.9174.1-73-169.717400112.2I150 D151 S158I150-E154 PolarHBondContact O-N 3.45Å; D151-E154 PolarHBondContact O-N 2.8Å; E154-S158 WeakPolarHBondContact O-CB 3.45Å; E154-S158 PolarHBondContact O-N 3.33Å; E154-S158 PolarHBondContact O-OG 3.41Å
155L51.4Low56.1Low124 Ų12490 Ų9065%0.64944%0.438SS*.Hα-helixtrans-65-43174.9-74171.4000112.3D151 V152 L153 S158 K159D151-L155 VanDerWaalsContact O-CG 3.32Å; D151-L155 WeakPolarHBondContact O-CG 3.41Å; D151-L155 PolarHBondContact O-N 2.87Å; V152-L155 PolarHBondContact O-N 2.96Å; L153-L155 VanDerWaalsContact C-N 3.34Å; L155-S158 WeakPolarHBondContact O-CB 3.41Å; L155-S158 PolarHBondContact O-N 2.89Å; L155-K159 PolarHBondContact O-N 2.81Å
156L46.2Very low57.7Low80 Ų8092.9 Ų92.942%0.41945%0.45SS..Hα-helixtrans-65-45.9177.4-74.1171.5000111.7V152 L153 S158 K159 E160V152-L156 HydrophobicContact CG1-CD1 4.06Å; V152-L156 HydrophobicContact CG1-CG 4.46Å; V152-L156 WeakPolarHBondContact O-CG 3.44Å; V152-L156 PolarHBondContact O-N 3.42Å; L153-L156 PolarHBondContact O-N 3.1Å; L156-S158 PolarHBondContact O-N 3.21Å; L156-K159 WeakPolarHBondContact O-CB 3.41Å; L156-K159 PolarHBondContact O-N 3.24Å; L156-K159 VanDerWaalsContact O-N 3.07Å; L156-E160 WeakPolarHBondContact O-CG 3.4Å; L156-E160 PolarHBondContact O-N 3.22Å
157S60.4Low59.5Low46 Ų4693.1 Ų93.132%0.32246%0.459SS..Hα-helixtrans-59.9-38.1174.8-177.90000111.6L153 E160 R161L153-S157 WeakPolarHBondContact O-CB 3.39Å; L153-S157 PolarHBondContact O-N 3.03Å; S157-E160 PolarHBondContact O-N 3.46Å; S157-R161 WeakPolarHBondContact O-CG 3.39Å; S157-R161 PolarHBondContact O-N 3.47Å; S157-R161 PolarHBondContact OG-NH1 3.31Å; S157-R161 VanDerWaalsContact OG-NH1 3.13Å
158S55.2Low61.2Low40 Ų4092.1 Ų92.128%0.2845%0.454SS..Hα-helixtrans-63.4-41.1174.1-60.70000112.3E154 L155 L156 R161 I162E154-S158 WeakPolarHBondContact O-CB 3.45Å; E154-S158 PolarHBondContact O-N 3.33Å; E154-S158 PolarHBondContact O-OG 3.41Å; L155-S158 WeakPolarHBondContact O-CB 3.41Å; L155-S158 PolarHBondContact O-N 2.89Å; L156-S158 PolarHBondContact O-N 3.21Å; S158-R161 PolarHBondContact O-N 2.97Å; S158-R161 PolarHBondContact OG-NH2 3.5Å; S158-I162 WeakPolarHBondContact O-CD1 3.07Å; S158-I162 VanDerWaalsContact O-CG1 3.3Å; S158-I162 WeakPolarHBondContact O-CG1 3.43Å; S158-I162 PolarHBondContact O-N 2.86Å
159K62.8Low62.9Low122 Ų12291.8 Ų91.853%0.5346%0.455SS..Hα-helixtrans-63.9-44.3175.9-176.5-177.7176.4-1760112.1L155 L156 R161 I162 Q163L155-K159 PolarHBondContact O-N 2.81Å; L156-K159 WeakPolarHBondContact O-CB 3.41Å; L156-K159 PolarHBondContact O-N 3.24Å; L156-K159 VanDerWaalsContact O-N 3.07Å; K159-R161 VanDerWaalsContact C-N 3.33Å; K159-R161 PolarHBondContact O-N 2.99Å; K159-I162 WeakPolarHBondContact O-CB 3.32Å; K159-I162 PolarHBondContact O-N 3.38Å; K159-Q163 WeakPolarHBondContact O-CG 3.28Å; K159-Q163 PolarHBondContact O-N 3.18Å
160E71Confident64.9Low128 Ų12894.1 Ų94.160%0.59847%0.468SS*.Hα-helixtrans-61.4-42.3176.4-70.5174.6157.200111.4L156 S157 I162 Q163 M164L156-E160 WeakPolarHBondContact O-CG 3.4Å; L156-E160 PolarHBondContact O-N 3.22Å; S157-E160 PolarHBondContact O-N 3.46Å; E160-I162 PolarHBondContact O-N 2.96Å; E160-Q163 PolarHBondContact O-N 3.13Å; E160-M164 PolarHBondContact O-N 3Å
161R73.7Confident66.8Low118 Ų11897.3 Ų97.345%0.44548%0.482SS..Hα-helixtrans-60.2-43.4173-72.8-171.5-59.9-107.25.6112.1S157 S158 K159 M164 Y165S157-R161 WeakPolarHBondContact O-CG 3.39Å; S157-R161 PolarHBondContact O-N 3.47Å; S157-R161 PolarHBondContact OG-NH1 3.31Å; S157-R161 VanDerWaalsContact OG-NH1 3.13Å; S158-R161 PolarHBondContact O-N 2.97Å; S158-R161 PolarHBondContact OG-NH2 3.5Å; K159-R161 VanDerWaalsContact C-N 3.33Å; K159-R161 PolarHBondContact O-N 2.99Å; R161-M164 WeakPolarHBondContact O-CB 3.41Å; R161-M164 PolarHBondContact O-N 3.39Å; R161-Y165 HydrophobicContact CB-CE2 4.35Å; R161-Y165 WeakPolarHBondContact O-CD2 3.36Å; R161-Y165 PolarHBondContact O-N 3.24Å
162I72.5Confident68.3Low93 Ų9398.7 Ų98.748%0.47749%0.485SS..Hα-helixtrans-60.2-48.2176.8-71.8159.9000110.6S158 K159 E160 M164 Y165 E166S158-I162 WeakPolarHBondContact O-CD1 3.07Å; S158-I162 VanDerWaalsContact O-CG1 3.3Å; S158-I162 WeakPolarHBondContact O-CG1 3.43Å; S158-I162 PolarHBondContact O-N 2.86Å; K159-I162 WeakPolarHBondContact O-CB 3.32Å; K159-I162 PolarHBondContact O-N 3.38Å; E160-I162 PolarHBondContact O-N 2.96Å; I162-M164 VanDerWaalsContact C-N 3.28Å; I162-M164 PolarHBondContact O-N 3.26Å; I162-Y165 PolarHBondContact O-N 2.95Å; I162-Y165 VanDerWaalsContact O-N 3.11Å; I162-E166 HydrophobicContact CG2-CG 4.33Å; I162-E166 WeakPolarHBondContact O-CG 3.48Å; I162-E166 PolarHBondContact O-N 2.99Å
163Q74.5Confident70.2Confident96 Ų96101.5 Ų101.545%0.44950%0.498SS..Hα-helixtrans-61.7-36.7179.1-71.8178.7-3800112.7K159 E160 E166 S167K159-Q163 WeakPolarHBondContact O-CG 3.28Å; K159-Q163 PolarHBondContact O-N 3.18Å; E160-Q163 PolarHBondContact O-N 3.13Å; Q163-E166 PolarHBondContact O-N 2.9Å; Q163-S167 WeakPolarHBondContact O-CB 3.4Å; Q163-S167 PolarHBondContact O-N 3.5Å; Q163-S167 PolarHBondContact O-OG 3.11Å
164M80Confident72.3Confident98 Ų98103.6 Ų103.648%0.48351%0.509SS..Hα-helixtrans-62.9-46.8173.2-176.3-170.869.400111.1E160 R161 I162 S167 I168E160-M164 PolarHBondContact O-N 3Å; R161-M164 WeakPolarHBondContact O-CB 3.41Å; R161-M164 PolarHBondContact O-N 3.39Å; I162-M164 VanDerWaalsContact C-N 3.28Å; I162-M164 PolarHBondContact O-N 3.26Å; M164-S167 PolarHBondContact O-N 2.9Å; M164-I168 HydrophobicContact CG-CD1 4.18Å; M164-I168 WeakPolarHBondContact O-CG1 3.41Å; M164-I168 PolarHBondContact O-N 3.35Å
165Y69.3Low73.5Confident139 Ų139102.3 Ų102.355%0.54551%0.514SS..Hα-helixtrans-63.9-39.5176.4-70-56000112.7R161 I162 S167 I168 L169R161-Y165 HydrophobicContact CB-CE2 4.35Å; R161-Y165 WeakPolarHBondContact O-CD2 3.36Å; R161-Y165 PolarHBondContact O-N 3.24Å; I162-Y165 PolarHBondContact O-N 2.95Å; I162-Y165 VanDerWaalsContact O-N 3.11Å; Y165-S167 VanDerWaalsContact C-N 3.32Å; Y165-S167 PolarHBondContact O-N 3.29Å; Y165-I168 PolarHBondContact O-N 3.31Å; Y165-L169 WeakPolarHBondContact O-CB 3.42Å; Y165-L169 VanDerWaalsContact O-CG 3.31Å; Y165-L169 WeakPolarHBondContact O-CG 3.43Å; Y165-L169 PolarHBondContact O-N 3.29Å
166E81.2Confident74.4Confident117 Ų117105 Ų10555%0.54754%0.535SS..Hα-helixtrans-60.5-41.8173.6-73.5175.8162.900111.6I162 Q163 L169 Q170I162-E166 HydrophobicContact CG2-CG 4.33Å; I162-E166 WeakPolarHBondContact O-CG 3.48Å; I162-E166 PolarHBondContact O-N 2.99Å; Q163-E166 PolarHBondContact O-N 2.9Å; E166-L169 PolarHBondContact O-N 3.27Å; E166-Q170 WeakPolarHBondContact O-CB 3.49Å; E166-Q170 PolarHBondContact O-N 2.76Å
167S82.4Confident75.9Confident68 Ų68106.2 Ų106.248%0.47654%0.541SS..Hα-helixtrans-65.2-44.5178.4-57.50000111.8Q163 M164 Y165 Q170 E171Q163-S167 WeakPolarHBondContact O-CB 3.4Å; Q163-S167 PolarHBondContact O-N 3.5Å; Q163-S167 PolarHBondContact O-OG 3.11Å; M164-S167 PolarHBondContact O-N 2.9Å; Y165-S167 VanDerWaalsContact C-N 3.32Å; Y165-S167 PolarHBondContact O-N 3.29Å; S167-Q170 PolarHBondContact O-N 3.47Å; S167-E171 WeakPolarHBondContact O-CG 3.38Å; S167-E171 PolarHBondContact O-N 3.38Å
168I83.7Confident76.7Confident71 Ų71109.4 Ų109.436%0.36455%0.552SS.*Hα-helixtrans-60.4-47.6176.1-67.9165.3000110.4M164 Y165 Q170 E171 E172M164-I168 HydrophobicContact CG-CD1 4.18Å; M164-I168 WeakPolarHBondContact O-CG1 3.41Å; M164-I168 PolarHBondContact O-N 3.35Å; Y165-I168 PolarHBondContact O-N 3.31Å; I168-Q170 VanDerWaalsContact C-N 3.27Å; I168-Q170 PolarHBondContact O-N 3.41Å; I168-E171 PolarHBondContact O-N 3.15Å; I168-E172 WeakPolarHBondContact O-CG 3.31Å; I168-E172 PolarHBondContact O-N 3.47Å
169L78.6Confident77.9Confident105 Ų105113.2 Ų113.255%0.5557%0.567SS.*Hα-helixtrans-61.3-37.7177.8-74169.3000111.9Y165 E166 E172 L173Y165-L169 WeakPolarHBondContact O-CB 3.42Å; Y165-L169 VanDerWaalsContact O-CG 3.31Å; Y165-L169 WeakPolarHBondContact O-CG 3.43Å; Y165-L169 PolarHBondContact O-N 3.29Å; E166-L169 PolarHBondContact O-N 3.27Å; L169-E172 PolarHBondContact O-N 3.39Å; L169-L173 WeakPolarHBondContact O-CB 3.5Å; L169-L173 PolarHBondContact O-N 3.39Å
170Q80.9Confident78.8Confident111 Ų111112.7 Ų112.752%0.51957%0.57SS.*Hα-helixtrans-69.9-38.6178.1-157.270.81.700112.1E166 S167 I168 L173 N174E166-Q170 WeakPolarHBondContact O-CB 3.49Å; E166-Q170 PolarHBondContact O-N 2.76Å; S167-Q170 PolarHBondContact O-N 3.47Å; I168-Q170 VanDerWaalsContact C-N 3.27Å; I168-Q170 PolarHBondContact O-N 3.41Å; Q170-L173 PolarHBondContact O-N 2.94Å; Q170-N174 WeakPolarHBondContact O-CB 3.34Å; Q170-N174 PolarHBondContact O-N 3.35Å; Q170-N174 PolarHBondContact O-ND2 2.98Å; Q170-N174 VanDerWaalsContact O-ND2 3.09Å
171E85.2Confident79.2Confident142 Ų142111.8 Ų111.866%0.66457%0.568SS**Hα-helixtrans-63.4-44.5172.6-75.1178.6-176.700111.6S167 I168 N174 S175S167-E171 WeakPolarHBondContact O-CG 3.38Å; S167-E171 PolarHBondContact O-N 3.38Å; I168-E171 PolarHBondContact O-N 3.15Å; E171-N174 PolarHBondContact O-N 3.45Å; E171-S175 PolarHBondContact O-N 2.86Å; E171-S175 VanDerWaalsContact O-N 3.16Å
172E81.7Confident79.6Confident112 Ų112111.3 Ų111.352%0.52358%0.576SS.*Hα-helixtrans-61.6-45.7175.3-74-178.917300111.4I168 L169 N174 S175I168-E172 WeakPolarHBondContact O-CG 3.31Å; I168-E172 PolarHBondContact O-N 3.47Å; L169-E172 PolarHBondContact O-N 3.39Å; E172-N174 VanDerWaalsContact C-N 3.29Å; E172-N174 PolarHBondContact O-N 3.11Å; E172-S175 PolarHBondContact O-N 3.18Å; E172-S175 PolarHBondContact O-OG 3.27Å
173L81.5Confident80.1Confident120 Ų120112.6 Ų112.663%0.62858%0.583SS**Hα-helixtrans-63.2-35.5178.9-156.5106000112.3L169 Q170 S175L169-L173 WeakPolarHBondContact O-CB 3.5Å; L169-L173 PolarHBondContact O-N 3.39Å; Q170-L173 PolarHBondContact O-N 2.94Å; L173-S175 VanDerWaalsContact C-N 3.26Å; L173-S175 PolarHBondContact O-N 2.84Å
174N86.7Confident80.6Confident121 Ų121113.9 Ų113.965%0.64759%0.593SS**Hα-helixtrans-76-11.8176.1-70.6-26.9000113.4Q170 E171 E172Q170-N174 WeakPolarHBondContact O-CB 3.34Å; Q170-N174 PolarHBondContact O-N 3.35Å; Q170-N174 PolarHBondContact O-ND2 2.98Å; Q170-N174 VanDerWaalsContact O-ND2 3.09Å; E171-N174 PolarHBondContact O-N 3.45Å; E172-N174 VanDerWaalsContact C-N 3.29Å; E172-N174 PolarHBondContact O-N 3.11Å
175S84.1Confident80.6Confident98 Ų98115.3 Ų115.369%0.68560%0.603SS**THydrogen-bonded Turntrans-91.9-7.6178.875.50000114.1E171 E172 L173E171-S175 PolarHBondContact O-N 2.86Å; E171-S175 VanDerWaalsContact O-N 3.16Å; E172-S175 PolarHBondContact O-N 3.18Å; E172-S175 PolarHBondContact O-OG 3.27Å; L173-S175 VanDerWaalsContact C-N 3.26Å; L173-S175 PolarHBondContact O-N 2.84Å
176V72.1Confident81.6Confident179 Ų179113.1 Ų113.1100%1.08561%0.608SS**  trans-96.80176-1800000110.3

Retrieved 176 of 176 residues in 114.7 ms (Link to these results)

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