G4VFT6_SCHMA Loading...

Putative u3 small nucleolar ribonucleoprotein protein MPP10

AlphaFold DB , UniProt , Accession G4VFT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 264 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
1M51.8Low70Confident209 Ų209122.4 Ų122.4100%1.0362%0.623SS**  0-31.40-98.217697.100115.3K3M1-K3 PolarHBondContact O-N 3.36Å
2V56.2Low71.7Confident97 Ų97118.7 Ų118.759%0.58861%0.605SS**Hα-helixtrans-66.3-31.2-174.8-177.90000114.4R6V2-R6 WeakPolarHBondContact O-CG 3.22Å; V2-R6 PolarHBondContact O-N 3.28Å
3K56.7Low73.4Confident183 Ų183116.7 Ų116.780%0.79660%0.596SS**Hα-helixtrans-71.2-34.8-178.7-73-175.1177-179.10114M1 R6 G7M1-K3 PolarHBondContact O-N 3.36Å; K3-R6 PolarHBondContact O-N 3.32Å; K3-G7 PolarHBondContact O-N 3.35Å
4A60.5Low74.8Confident75 Ų75114.9 Ų114.962%0.6258%0.584SS**Hα-helixtrans-70.3-40.3178.800000111.9R6 G7 H8A4-R6 VanDerWaalsContact C-N 3.28Å; A4-R6 PolarHBondContact O-N 3.38Å; A4-G7 PolarHBondContact O-N 3.15Å; A4-H8 PolarHBondContact O-N 3.25Å; A4-H8 VanDerWaalsContact O-N 3.15Å
5N65.2Low76.1Confident99 Ų99113.8 Ų113.853%0.52958%0.576SS.*Hα-helixtrans-64.8-31.1173.5-78.71.5000112.6N9N5-N9 VanDerWaalsContact O-CB 3.22Å; N5-N9 WeakPolarHBondContact O-CB 3.36Å; N5-N9 PolarHBondContact O-N 3.08Å; N5-N9 PolarHBondContact O-ND2 2.99Å
6R67Low77.3Confident171 Ų171113.8 Ų113.865%0.64557%0.571SS**Hα-helixtrans-66.4-39174.6-75.6-178.7-168172.93112.4V2 K3 A4 F10V2-R6 WeakPolarHBondContact O-CG 3.22Å; V2-R6 PolarHBondContact O-N 3.28Å; K3-R6 PolarHBondContact O-N 3.32Å; A4-R6 VanDerWaalsContact C-N 3.28Å; A4-R6 PolarHBondContact O-N 3.38Å; R6-F10 WeakPolarHBondContact O-CB 3.45Å; R6-F10 PolarHBondContact O-N 3.08Å; R6-F10 VanDerWaalsContact O-N 3.08Å
7G75.2Confident78.4Confident40 Ų40112.2 Ų112.241%0.41256%0.564SS.*Hα-helixtrans-66.2-49.9176.300000112.4K3 A4 N9 F10 E11K3-G7 PolarHBondContact O-N 3.35Å; A4-G7 PolarHBondContact O-N 3.15Å; G7-N9 PolarHBondContact O-N 3.42Å; G7-F10 WeakPolarHBondContact O-CB 3.42Å; G7-F10 PolarHBondContact O-N 3.5Å; G7-F10 VanDerWaalsContact O-N 3.11Å; G7-E11 PolarHBondContact O-N 3.18Å
8H77.3Confident79.4Confident114 Ų114110.4 Ų110.453%0.52856%0.556SS.*Hα-helixtrans-62.3-39.6177.5-179.7-80000112.7A4 F10 E11 L12A4-H8 PolarHBondContact O-N 3.25Å; A4-H8 VanDerWaalsContact O-N 3.15Å; H8-F10 VanDerWaalsContact C-N 3.3Å; H8-F10 PolarHBondContact O-N 2.99Å; H8-E11 PolarHBondContact O-N 3.47Å; H8-L12 WeakPolarHBondContact O-CB 3.39Å; H8-L12 PolarHBondContact O-N 3.11Å; H8-L12 VanDerWaalsContact O-N 3.08Å
9N84.4Confident80.3Confident106 Ų106111.5 Ų111.557%0.56756%0.557SS**Hα-helixtrans-67-32175.2-72.2-16.7000112.6N5 G7 L13N5-N9 VanDerWaalsContact O-CB 3.22Å; N5-N9 WeakPolarHBondContact O-CB 3.36Å; N5-N9 PolarHBondContact O-N 3.08Å; N5-N9 PolarHBondContact O-ND2 2.99Å; G7-N9 PolarHBondContact O-N 3.42Å; N9-L13 WeakPolarHBondContact O-CB 3.45Å; N9-L13 PolarHBondContact O-N 3.19Å; N9-L13 VanDerWaalsContact O-N 3.15Å
10F88.2Confident81.1Confident133 Ų133112 Ų11258%0.58356%0.557SS**Hα-helixtrans-70.4-45176.2179.1-96.1000111.4R6 G7 H8 L12 L13 Q14R6-F10 WeakPolarHBondContact O-CB 3.45Å; R6-F10 PolarHBondContact O-N 3.08Å; R6-F10 VanDerWaalsContact O-N 3.08Å; G7-F10 WeakPolarHBondContact O-CB 3.42Å; G7-F10 PolarHBondContact O-N 3.5Å; G7-F10 VanDerWaalsContact O-N 3.11Å; H8-F10 VanDerWaalsContact C-N 3.3Å; H8-F10 PolarHBondContact O-N 2.99Å; F10-L12 PolarHBondContact O-N 3.14Å; F10-L13 WeakPolarHBondContact O-CB 3.48Å; F10-L13 PolarHBondContact O-N 3.15Å; F10-Q14 WeakPolarHBondContact O-CB 3.43Å; F10-Q14 PolarHBondContact O-N 3.5Å
11E87.9Confident81.8Confident119 Ų119109.7 Ų109.756%0.55655%0.549SS*.Hα-helixtrans-62.6-43177.4-171.9169.2-160.600111.9G7 H8 L13 Q14 E15G7-E11 PolarHBondContact O-N 3.18Å; H8-E11 PolarHBondContact O-N 3.47Å; E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 PolarHBondContact O-N 3.36Å; E11-Q14 WeakPolarHBondContact O-CB 3.47Å; E11-Q14 PolarHBondContact O-N 2.85Å; E11-Q14 VanDerWaalsContact O-N 3.14Å; E11-E15 PolarHBondContact O-N 2.81Å
12L90.6Very high83.9Confident78 Ų78103 Ų10341%0.40852%0.518SS..Hα-helixtrans-67.3-29176.4-163.4137.9000112.8H8 F10 K16H8-L12 WeakPolarHBondContact O-CB 3.39Å; H8-L12 PolarHBondContact O-N 3.11Å; H8-L12 VanDerWaalsContact O-N 3.08Å; F10-L12 PolarHBondContact O-N 3.14Å; L12-K16 HydrophobicContact CD2-CD 4.29Å; L12-K16 VanDerWaalsContact O-CG 3.3Å; L12-K16 WeakPolarHBondContact O-CG 3.45Å; L12-K16 PolarHBondContact O-N 3.2Å
13L92.8Very high85.9Confident93 Ų93100.2 Ų100.249%0.48751%0.505SS..Hα-helixtrans-73.2-41.6170.5179.864.3000111.1N9 F10 E11 K16 L17N9-L13 WeakPolarHBondContact O-CB 3.45Å; N9-L13 PolarHBondContact O-N 3.19Å; N9-L13 VanDerWaalsContact O-N 3.15Å; F10-L13 WeakPolarHBondContact O-CB 3.48Å; F10-L13 PolarHBondContact O-N 3.15Å; E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 PolarHBondContact O-N 3.36Å; L13-K16 WeakPolarHBondContact O-CB 3.38Å; L13-K16 PolarHBondContact O-N 3.33Å; L13-L17 HydrophobicContact CD1-CG 4.48Å; L13-L17 HydrophobicContact CG-CD1 4.25Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.79Å
14Q93Very high87.7Confident92 Ų9296.4 Ų96.443%0.4349%0.493SS..Hα-helixtrans-61.2-47.7177-174.3175.2-11.900110.8F10 E11 K16 L17 D18F10-Q14 WeakPolarHBondContact O-CB 3.43Å; F10-Q14 PolarHBondContact O-N 3.5Å; E11-Q14 WeakPolarHBondContact O-CB 3.47Å; E11-Q14 PolarHBondContact O-N 2.85Å; E11-Q14 VanDerWaalsContact O-N 3.14Å; Q14-K16 VanDerWaalsContact C-N 3.27Å; Q14-K16 PolarHBondContact O-N 3.28Å; Q14-L17 PolarHBondContact O-N 2.91Å; Q14-L17 VanDerWaalsContact O-N 3.15Å; Q14-D18 WeakPolarHBondContact O-CB 3.46Å; Q14-D18 VanDerWaalsContact O-CG 3.23Å; Q14-D18 PolarHBondContact O-N 2.9Å
15E94Very high89.4Confident98 Ų9898.4 Ų98.446%0.45849%0.489SS..Hα-helixtrans-59.7-35.5174.4-74.7-170.3-176.600113.3E11 K19E11-E15 PolarHBondContact O-N 2.81Å; E15-K19 WeakPolarHBondContact O-CB 3.39Å; E15-K19 WeakPolarHBondContact O-CD 3.38Å; E15-K19 WeakPolarHBondContact O-CG 3.18Å; E15-K19 PolarHBondContact O-N 3.15Å; E15-K19 IonicContact OE2-NZ 3.52Å
16K95.8Very high90.9Very high113 Ų113100.8 Ų100.849%0.49149%0.491SS..Hα-helixtrans-67.6-44.7175.7-79.5175.3179.8179.40111L12 L13 Q14 K19 E20L12-K16 HydrophobicContact CD2-CD 4.29Å; L12-K16 VanDerWaalsContact O-CG 3.3Å; L12-K16 WeakPolarHBondContact O-CG 3.45Å; L12-K16 PolarHBondContact O-N 3.2Å; L13-K16 WeakPolarHBondContact O-CB 3.38Å; L13-K16 PolarHBondContact O-N 3.33Å; Q14-K16 VanDerWaalsContact C-N 3.27Å; Q14-K16 PolarHBondContact O-N 3.28Å; K16-K19 PolarHBondContact O-N 3Å; K16-E20 WeakPolarHBondContact O-CB 3.48Å; K16-E20 WeakPolarHBondContact O-CG 3.48Å; K16-E20 PolarHBondContact O-N 2.75Å
17L95.9Very high92.1Very high88 Ų8899.9 Ų99.946%0.46149%0.492SS..Hα-helixtrans-62.9-44.9176.1-70.6174.4000110.8L13 Q14 K19 E20 T21L13-L17 HydrophobicContact CD1-CG 4.48Å; L13-L17 HydrophobicContact CG-CD1 4.25Å; L13-L17 WeakPolarHBondContact O-CG 3.3Å; L13-L17 PolarHBondContact O-N 2.79Å; Q14-L17 PolarHBondContact O-N 2.91Å; Q14-L17 VanDerWaalsContact O-N 3.15Å; L17-K19 VanDerWaalsContact C-N 3.31Å; L17-K19 PolarHBondContact O-N 3.39Å; L17-E20 CarbonylContact O-C 3.53Å; L17-E20 WeakPolarHBondContact O-CA 3.37Å; L17-E20 WeakPolarHBondContact O-CB 3.48Å; L17-E20 PolarHBondContact O-N 3.48Å; L17-E20 VanDerWaalsContact O-N 3.07Å; L17-T21 WeakPolarHBondContact O-CG2 3.24Å; L17-T21 PolarHBondContact O-N 3.21Å; L17-T21 PolarHBondContact O-OG1 3.07Å
18D96.2Very high92.9Very high79 Ų79106 Ų10642%0.42251%0.512SS..Hα-helixtrans-61.4-39.5177.6-67.5-15.7000111.4Q14 T21 D22Q14-D18 WeakPolarHBondContact O-CB 3.46Å; Q14-D18 VanDerWaalsContact O-CG 3.23Å; Q14-D18 PolarHBondContact O-N 2.9Å; D18-T21 VanDerWaalsContact CA-OG1 3.24Å; D18-T21 WeakPolarHBondContact CA-OG1 3.34Å; D18-T21 PolarHBondContact O-N 2.83Å; D18-T21 PolarHBondContact O-OG1 3.03Å; D18-D22 VanDerWaalsContact O-CB 3.31Å; D18-D22 WeakPolarHBondContact O-CB 3.31Å; D18-D22 PolarHBondContact O-N 3.36Å
19K96.5Very high93.7Very high132 Ų132108 Ų10857%0.57453%0.525SS*.Hα-helixtrans-66.1-38.8172.9-74.5166.3-171.2160.80112.4E15 K16 L17 A23E15-K19 WeakPolarHBondContact O-CB 3.39Å; E15-K19 WeakPolarHBondContact O-CD 3.38Å; E15-K19 WeakPolarHBondContact O-CG 3.18Å; E15-K19 PolarHBondContact O-N 3.15Å; E15-K19 IonicContact OE2-NZ 3.52Å; K16-K19 PolarHBondContact O-N 3Å; L17-K19 VanDerWaalsContact C-N 3.31Å; L17-K19 PolarHBondContact O-N 3.39Å; K19-A23 WeakPolarHBondContact O-CB 3.31Å; K19-A23 PolarHBondContact O-N 3.31Å
20E96.7Very high94.1Very high120 Ų120108.2 Ų108.256%0.56153%0.527SS*.Hα-helixtrans-68.7-41.1175.9-76.4177.6-172.100111.6K16 L17 A23 L24K16-E20 WeakPolarHBondContact O-CB 3.48Å; K16-E20 WeakPolarHBondContact O-CG 3.48Å; K16-E20 PolarHBondContact O-N 2.75Å; L17-E20 CarbonylContact O-C 3.53Å; L17-E20 WeakPolarHBondContact O-CA 3.37Å; L17-E20 WeakPolarHBondContact O-CB 3.48Å; L17-E20 PolarHBondContact O-N 3.48Å; L17-E20 VanDerWaalsContact O-N 3.07Å; E20-A23 PolarHBondContact O-N 2.93Å; E20-L24 WeakPolarHBondContact O-CB 3.49Å; E20-L24 VanDerWaalsContact O-CG 3.31Å; E20-L24 WeakPolarHBondContact O-CG 3.32Å; E20-L24 PolarHBondContact O-N 2.79Å
21T96.1Very high94.2Very high64 Ų64108 Ų10839%0.39354%0.536SS..Hα-helixtrans-63.8-46.9175.352.60000110.5L17 D18 A23 L24 E25L17-T21 WeakPolarHBondContact O-CG2 3.24Å; L17-T21 PolarHBondContact O-N 3.21Å; L17-T21 PolarHBondContact O-OG1 3.07Å; D18-T21 VanDerWaalsContact CA-OG1 3.24Å; D18-T21 WeakPolarHBondContact CA-OG1 3.34Å; D18-T21 PolarHBondContact O-N 2.83Å; D18-T21 PolarHBondContact O-OG1 3.03Å; T21-A23 VanDerWaalsContact C-N 3.28Å; T21-A23 PolarHBondContact O-N 3.1Å; T21-L24 PolarHBondContact O-N 3.18Å; T21-L24 VanDerWaalsContact O-N 3.1Å; T21-E25 WeakPolarHBondContact O-CB 3.29Å; T21-E25 VanDerWaalsContact O-CG 3.32Å; T21-E25 WeakPolarHBondContact O-CG 3.39Å; T21-E25 PolarHBondContact O-N 2.92Å
22D96.7Very high94.4Very high68 Ų68108.8 Ų108.836%0.36454%0.537SS..Hα-helixtrans-57.5-41.5174.8-86.411.8000112.1D18 R26D18-D22 VanDerWaalsContact O-CB 3.31Å; D18-D22 WeakPolarHBondContact O-CB 3.31Å; D18-D22 PolarHBondContact O-N 3.36Å; D22-R26 VanDerWaalsContact O-CG 3.31Å; D22-R26 WeakPolarHBondContact O-CG 3.4Å; D22-R26 PolarHBondContact O-N 3.31Å; D22-R26 IonicContact OD2-NH2 3.58Å
23A96.6Very high94.4Very high39 Ų39107.7 Ų107.732%0.32254%0.535SS..Hα-helixtrans-67.4-37.3177.700000112K19 E20 T21 K27K19-A23 WeakPolarHBondContact O-CB 3.31Å; K19-A23 PolarHBondContact O-N 3.31Å; E20-A23 PolarHBondContact O-N 2.93Å; T21-A23 VanDerWaalsContact C-N 3.28Å; T21-A23 PolarHBondContact O-N 3.1Å; A23-K27 VanDerWaalsContact O-CG 3.29Å; A23-K27 WeakPolarHBondContact O-CG 3.42Å; A23-K27 PolarHBondContact O-N 3.06Å
24L96.1Very high94.3Very high103 Ų103105.6 Ų105.654%0.53952%0.521SS..Hα-helixtrans-70.9-41.4175.6-73171.2000111.9E20 T21 R26 K27 M28E20-L24 WeakPolarHBondContact O-CB 3.49Å; E20-L24 VanDerWaalsContact O-CG 3.31Å; E20-L24 WeakPolarHBondContact O-CG 3.32Å; E20-L24 PolarHBondContact O-N 2.79Å; T21-L24 PolarHBondContact O-N 3.18Å; T21-L24 VanDerWaalsContact O-N 3.1Å; L24-R26 PolarHBondContact O-N 2.92Å; L24-K27 PolarHBondContact O-N 3.24Å; L24-M28 WeakPolarHBondContact O-CG 3.44Å; L24-M28 PolarHBondContact O-N 3.5Å
25E95.9Very high94.3Very high117 Ų117106.3 Ų106.355%0.54752%0.52SS..Hα-helixtrans-61.2-44.4176.5-75179.7-174.700111.4T21 K27 M28 L29T21-E25 WeakPolarHBondContact O-CB 3.29Å; T21-E25 VanDerWaalsContact O-CG 3.32Å; T21-E25 WeakPolarHBondContact O-CG 3.39Å; T21-E25 PolarHBondContact O-N 2.92Å; E25-K27 PolarHBondContact O-N 3.19Å; E25-M28 PolarHBondContact O-N 3.49Å; E25-L29 WeakPolarHBondContact O-CG 3.31Å; E25-L29 PolarHBondContact O-N 3.12Å; E25-L29 VanDerWaalsContact O-N 3.12Å
26R95.4Very high94.1Very high149 Ų149106.9 Ų106.956%0.56253%0.526SS*.Hα-helixtrans-60-46.5173.5-71.5-178.9-164.2103.88.2111.9D22 L24 M28 L29 D30D22-R26 VanDerWaalsContact O-CG 3.31Å; D22-R26 WeakPolarHBondContact O-CG 3.4Å; D22-R26 PolarHBondContact O-N 3.31Å; D22-R26 IonicContact OD2-NH2 3.58Å; L24-R26 PolarHBondContact O-N 2.92Å; R26-M28 PolarHBondContact O-N 3.28Å; R26-L29 PolarHBondContact O-N 3.02Å; R26-L29 VanDerWaalsContact O-N 3.11Å; R26-D30 PolarHBondContact O-N 3.11Å
27K93.2Very high93.8Very high153 Ų153105 Ų10567%0.66552%0.519SS*.Hα-helixtrans-61.7-30.2176.9-75.3175.2-177.9179.30113.2A23 L24 E25A23-K27 VanDerWaalsContact O-CG 3.29Å; A23-K27 WeakPolarHBondContact O-CG 3.42Å; A23-K27 PolarHBondContact O-N 3.06Å; L24-K27 PolarHBondContact O-N 3.24Å; E25-K27 PolarHBondContact O-N 3.19Å
28M92.1Very high93.6Very high169 Ų169104.1 Ų104.183%0.83353%0.531SS*.Hα-helixtrans-74.8-29.6176.2-76.4-166.5164.100113L24 E25 R26L24-M28 WeakPolarHBondContact O-CG 3.44Å; L24-M28 PolarHBondContact O-N 3.5Å; E25-M28 PolarHBondContact O-N 3.49Å; R26-M28 PolarHBondContact O-N 3.28Å
29L92.9Very high93.4Very high154 Ų154109.5 Ų109.581%0.80655%0.553SS**Hα-helixtrans-81.4-28.5177.2-67.7171.4000112.8E25 R26E25-L29 WeakPolarHBondContact O-CG 3.31Å; E25-L29 PolarHBondContact O-N 3.12Å; E25-L29 VanDerWaalsContact O-N 3.12Å; R26-L29 PolarHBondContact O-N 3.02Å; R26-L29 VanDerWaalsContact O-N 3.11Å
30D93.3Very high93.2Very high112 Ų112105.4 Ų105.460%0.59954%0.539SS*.SBendtrans-65.3157.2177.6-80.4-22.7000113.2R26 K32R26-D30 PolarHBondContact O-N 3.11Å; D30-K32 PolarHBondContact O-N 3.27Å
31V90.5Very high93Very high129 Ų129102.1 Ų102.178%0.78253%0.532SS*.PPolyproline II helixtrans-64.2124.1177179.60000109.7
32K91.7Very high92.8Very high134 Ų134102.6 Ų102.658%0.58354%0.543SS*.PPolyproline II helixtrans-55.1141.2176.3-68.6-177.5178.6-172.90110.9D30 L36 Q37D30-K32 PolarHBondContact O-N 3.27Å; K32-L36 HydrophobicContact CB-CB 4.38Å; K32-L36 HydrophobicContact CD-CD2 4.2Å; K32-L36 HydrophobicContact CG-CD2 4.43Å; K32-Q37 HydrophobicContact CB-CG 4.39Å; K32-Q37 PolarHBondContact O-NE2 3.03Å
33P91Very high92.6Very high55 Ų55106 Ų10636%0.35757%0.567SS.*PPolyproline II helixtrans-61.2152.7175.926.8-34000110.9Y35 L36P33-Y35 VanDerWaalsContact C-N 3.28Å; P33-Y35 HydrophobicContact CB-CD1 4.03Å; P33-Y35 HydrophobicContact CB-CE1 3.51Å; P33-Y35 HydrophobicContact CB-CE2 4.18Å; P33-Y35 HydrophobicContact CG-CD1 4.47Å; P33-Y35 HydrophobicContact CG-CD2 4.3Å; P33-Y35 HydrophobicContact CG-CE1 3.82Å; P33-Y35 HydrophobicContact CG-CE2 3.58Å; P33-Y35 WeakPolarHBondContact CG-OH 3.32Å; P33-Y35 PolarHBondContact O-N 3.18Å; P33-L36 HydrophobicContact CG-CB 4.13Å; P33-L36 WeakPolarHBondContact O-CB 3.42Å; P33-L36 PolarHBondContact O-N 2.91Å
34W91.9Very high92.3Very high50 Ų50111.1 Ų111.119%0.18958%0.581CS.*G310 helixtrans-54.4-39-171.569.7-89.3000113.4L36 Q37 V40 R45 E53 F55W34-L36 PolarHBondContact O-N 3.17Å; W34-Q37 WeakPolarHBondContact O-CB 3.38Å; W34-Q37 PolarHBondContact O-N 3.31Å; W34-V40 HydrophobicContact CB-CG1 4.43Å; W34-V40 HydrophobicContact CE3-CG1 4.28Å; W34-V40 WeakPolarHBondContact O-CG2 3.45Å; W34-R45 HydrophobicContact CB-CB 4.4Å; W34-R45 HydrophobicContact CD2-CB 4Å; W34-R45 HydrophobicContact CE3-CB 4.29Å; W34-R45 HydrophobicContact CG-CB 4.03Å; W34-E53 HydrophobicContact CZ2-CG 4.09Å; W34-F55 AromaticContact CH2-CE2 3.64Å; W34-F55 HydrophobicContact CH2-CE2 3.64Å; W34-F55 AromaticContact CH2-CZ 3.48Å; W34-F55 HydrophobicContact CH2-CZ 3.48Å; W34-F55 VanDerWaalsContact CH2-CZ 3.48Å; W34-F55 HydrophobicContact CZ2-CZ 4.37Å; W34-F55 HydrophobicContact CZ3-CE2 4.25Å; W34-F55 AromaticContact CZ3-CZ 3.77Å; W34-F55 HydrophobicContact CZ3-CZ 3.77Å
35Y91.2Very high92.1Very high106 Ų106109.2 Ų109.242%0.41657%0.567SS.*G310 helixtrans-67-16.8179.256.8-104.2000113.8P33 E53P33-Y35 VanDerWaalsContact C-N 3.28Å; P33-Y35 HydrophobicContact CB-CD1 4.03Å; P33-Y35 HydrophobicContact CB-CE1 3.51Å; P33-Y35 HydrophobicContact CB-CE2 4.18Å; P33-Y35 HydrophobicContact CG-CD1 4.47Å; P33-Y35 HydrophobicContact CG-CD2 4.3Å; P33-Y35 HydrophobicContact CG-CE1 3.82Å; P33-Y35 HydrophobicContact CG-CE2 3.58Å; P33-Y35 WeakPolarHBondContact CG-OH 3.32Å; P33-Y35 PolarHBondContact O-N 3.18Å; Y35-E53 HydrophobicContact CD1-CG 4.17Å
36L90.7Very high91.9Very high110 Ų110109.9 Ų109.958%0.57657%0.574SS**G310 helixtrans-97.31176.7-143.173.1000112.2K32 P33 W34K32-L36 HydrophobicContact CB-CB 4.38Å; K32-L36 HydrophobicContact CD-CD2 4.2Å; K32-L36 HydrophobicContact CG-CD2 4.43Å; P33-L36 HydrophobicContact CG-CB 4.13Å; P33-L36 WeakPolarHBondContact O-CB 3.42Å; P33-L36 PolarHBondContact O-N 2.91Å; W34-L36 PolarHBondContact O-N 3.17Å
37Q90.1Very high91.8Very high75 Ų75111.3 Ų111.335%0.3559%0.588SS.*SBendtrans-98.1143.2173.8-59.7179.95.300109.8K32 W34 V40K32-Q37 HydrophobicContact CB-CG 4.39Å; K32-Q37 PolarHBondContact O-NE2 3.03Å; W34-Q37 WeakPolarHBondContact O-CB 3.38Å; W34-Q37 PolarHBondContact O-N 3.31Å; Q37-V40 HydrophobicContact CB-CG2 3.81Å; Q37-V40 WeakPolarHBondContact O-CG2 3.43Å
38G91.7Very high91.7Very high68 Ų68109.6 Ų109.670%0.70159%0.585SS**SBendtrans-78.3156.9170.200000111.9V40G38-V40 PolarHBondContact O-N 2.78Å
39E91.2Very high91.7Very high193 Ų193102.1 Ų102.190%0.90255%0.55SS*.SBendtrans54.147.1169.4-57.2-178.6177.100114.4A41E39-A41 PolarHBondContact O-N 3.35Å
40V92.6Very high91.6Very high45 Ų4599 Ų9927%0.27353%0.533SS..  trans-80.8116.5-178-178.20000111.3W34 Q37 G38 K44 R45W34-V40 HydrophobicContact CB-CG1 4.43Å; W34-V40 HydrophobicContact CE3-CG1 4.28Å; W34-V40 WeakPolarHBondContact O-CG2 3.45Å; Q37-V40 HydrophobicContact CB-CG2 3.81Å; Q37-V40 WeakPolarHBondContact O-CG2 3.43Å; G38-V40 PolarHBondContact O-N 2.78Å; V40-K44 HydrophobicContact CG1-CB 4.14Å; V40-R45 HydrophobicContact CG1-CB 4.48Å
41A93Very high91.5Very high51 Ų51100.7 Ų100.742%0.42154%0.541SS..  trans-75.9154.1169.600000111.7E39 T43 K44E39-A41 PolarHBondContact O-N 3.35Å; A41-T43 PolarHBondContact O-N 2.88Å; A41-T43 VanDerWaalsContact O-N 3.14Å; A41-K44 PolarHBondContact O-N 3.07Å
42A92.2Very high91.5Very high74 Ų74101.2 Ų101.261%0.61254%0.535SS*.G310 helixtrans-55.8-33.3-179.400000113.6K44 R45A42-K44 VanDerWaalsContact C-N 3.29Å; A42-K44 PolarHBondContact O-N 3.03Å; A42-R45 WeakPolarHBondContact O-CG 3.45Å; A42-R45 PolarHBondContact O-N 2.65Å
43T92.1Very high91.4Very high141 Ų14198.5 Ų98.587%0.86553%0.525SS*.G310 helixtrans-68.6-23.3178.9-39.50000113.8A41A41-T43 PolarHBondContact O-N 2.88Å; A41-T43 VanDerWaalsContact O-N 3.14Å
44K90.3Very high91.5Very high145 Ų145104.6 Ų104.663%0.6355%0.548SS*.G310 helixtrans-84.5-12.2-177.6-69.7-174.9178.9177.60113.4V40 A41 A42V40-K44 HydrophobicContact CG1-CB 4.14Å; A41-K44 PolarHBondContact O-N 3.07Å; A42-K44 VanDerWaalsContact C-N 3.29Å; A42-K44 PolarHBondContact O-N 3.03Å
45R91.7Very high91.4Very high64 Ų64106.6 Ų106.624%0.24256%0.558CS.*SBendtrans-114.5153.3178.965.2-178-176.790.3-0.5110.2W34 V40 A42 T49W34-R45 HydrophobicContact CB-CB 4.4Å; W34-R45 HydrophobicContact CD2-CB 4Å; W34-R45 HydrophobicContact CE3-CB 4.29Å; W34-R45 HydrophobicContact CG-CB 4.03Å; V40-R45 HydrophobicContact CG1-CB 4.48Å; A42-R45 WeakPolarHBondContact O-CG 3.45Å; A42-R45 PolarHBondContact O-N 2.65Å; R45-T49 PolarHBondContact NH1-OG1 3.47Å
46N91.5Very high91.5Very high130 Ų130110 Ų11070%0.69558%0.584SS**  trans-69.5158.4175-63.2-15.3000110.7T49N46-T49 HydrophobicContact CB-CG2 3.72Å; N46-T49 WeakPolarHBondContact O-CG2 3.44Å; N46-T49 PolarHBondContact O-OG1 3.29Å
47E92.8Very high91.5Very high180 Ų180109.9 Ų109.984%0.84159%0.587SS**THydrogen-bonded Turntrans-57.7145.4177.4-61.4-177.8172.600111.5T49E47-T49 PolarHBondContact O-N 3.42Å
48N91.1Very high91.6Very high116 Ų116113.8 Ų113.862%0.6261%0.605SS**THydrogen-bonded Turntrans58.1-0.2177.8-60.1-29.8000118.4L50 L51N48-L50 PolarHBondContact O-N 3.48Å; N48-L50 VanDerWaalsContact O-N 3.07Å; N48-L51 PolarHBondContact O-N 2.73Å
49T91.9Very high91.5Very high13 Ų13119.3 Ų119.38%0.0861%0.605CS.*G310 helixtrans-56.3-24.9175.648.20000115.1R45 N46 E47 L51 E52R45-T49 PolarHBondContact NH1-OG1 3.47Å; N46-T49 HydrophobicContact CB-CG2 3.72Å; N46-T49 WeakPolarHBondContact O-CG2 3.44Å; N46-T49 PolarHBondContact O-OG1 3.29Å; E47-T49 PolarHBondContact O-N 3.42Å; T49-L51 PolarHBondContact O-N 3.25Å; T49-E52 PolarHBondContact O-N 3.32Å
50L90.8Very high91.3Very high88 Ų88118.1 Ų118.146%0.46160%0.599SS.*G310 helixtrans-66-26177.2-179.363.4000112.8N48 E52 F55N48-L50 PolarHBondContact O-N 3.48Å; N48-L50 VanDerWaalsContact O-N 3.07Å; L50-E52 VanDerWaalsContact C-N 3.35Å; L50-F55 HydrophobicContact CD1-CD2 3.6Å; L50-F55 HydrophobicContact CD1-CE2 3.61Å
51L91.7Very high91.1Very high147 Ų147118.6 Ų118.677%0.7761%0.613SS**G310 helixtrans-81.6-17.5-179.7-62.1173.3000112.6N48 T49N48-L51 PolarHBondContact O-N 2.73Å; T49-L51 PolarHBondContact O-N 3.25Å
52E91Very high90.9Very high141 Ų141124.8 Ų124.866%0.65964%0.638SS**THydrogen-bonded Turntrans-81.5-36.8-179.5-61177.2168.200111.3T49 L50T49-E52 PolarHBondContact O-N 3.32Å; L50-E52 VanDerWaalsContact C-N 3.35Å
53E89.3Confident90.7Very high77 Ų77128.1 Ų128.136%0.3664%0.639SS.*SBendtrans-96.1141.2-176.8-65.7-63.5173.200112.1W34 Y35 F55W34-E53 HydrophobicContact CZ2-CG 4.09Å; Y35-E53 HydrophobicContact CD1-CG 4.17Å; E53-F55 HydrophobicContact CB-CD2 4.22Å; E53-F55 HydrophobicContact CB-CE2 3.44Å; E53-F55 VanDerWaalsContact CB-CE2 3.44Å; E53-F55 HydrophobicContact CB-CZ 3.74Å
54H92.2Very high90.6Very high183 Ų183130.6 Ų130.685%0.84764%0.638SS**  trans-92.7110.5-179.1-66.665.9000110.2
55F90.4Very high90.5Very high92 Ų92128.2 Ų128.240%0.40464%0.637SS.*  trans-111.1131.6177.5-62.7-80.4000112W34 L50 E53 V57W34-F55 AromaticContact CH2-CE2 3.64Å; W34-F55 HydrophobicContact CH2-CE2 3.64Å; W34-F55 AromaticContact CH2-CZ 3.48Å; W34-F55 HydrophobicContact CH2-CZ 3.48Å; W34-F55 VanDerWaalsContact CH2-CZ 3.48Å; W34-F55 HydrophobicContact CZ2-CZ 4.37Å; W34-F55 HydrophobicContact CZ3-CE2 4.25Å; W34-F55 AromaticContact CZ3-CZ 3.77Å; W34-F55 HydrophobicContact CZ3-CZ 3.77Å; L50-F55 HydrophobicContact CD1-CD2 3.6Å; L50-F55 HydrophobicContact CD1-CE2 3.61Å; E53-F55 HydrophobicContact CB-CD2 4.22Å; E53-F55 HydrophobicContact CB-CE2 3.44Å; E53-F55 VanDerWaalsContact CB-CE2 3.44Å; E53-F55 HydrophobicContact CB-CZ 3.74Å; F55-V57 HydrophobicContact CB-CG2 4.23Å; F55-V57 PolarHBondContact O-N 3.5Å
56D92.3Very high90.3Very high177 Ų177133.8 Ų133.895%0.94767%0.666SS**  trans-84107.3169-72.5-28.2000109.8
57V90.7Very high89.9Confident107 Ų107133.3 Ų133.365%0.64867%0.668SS**  trans-113.5128.4178.7-174.90000109.6F55 R59F55-V57 HydrophobicContact CB-CG2 4.23Å; F55-V57 PolarHBondContact O-N 3.5Å; V57-R59 PolarHBondContact O-N 2.95Å
58Q92.5Very high89.4Confident158 Ų158130.9 Ų130.974%0.73866%0.656SS**  trans-65.6120.5171.2-173.6175.4300109.6
59R90.8Very high89.3Confident184 Ų184130.6 Ų130.669%0.69466%0.655SS**  trans-97.3127.5175.5-57-171.9-176.5-179.1-3.7109.4V57 F63V57-R59 PolarHBondContact O-N 2.95Å; R59-F63 HydrophobicContact CB-CE2 4.36Å; R59-F63 HydrophobicContact CB-CZ 4.18Å
60H87.4Confident89.3Confident167 Ų167136.9 Ų136.977%0.77368%0.683SS**  trans-94.3101.3173.1-56.8-66.3000108.9
61G87.8Confident89.4Confident55 Ų55135 Ų13557%0.56768%0.68SS**SBendtrans157.4140.6176.600000112.4
62L88.3Confident89.5Confident181 Ų181132.4 Ų132.495%0.94867%0.67SS**PPolyproline II helixtrans-77.6124.1167.7-64.9174.4000108.1
63F88.1Confident89.6Confident144 Ų144129.4 Ų129.463%0.63266%0.658SS**PPolyproline II helixtrans-74.4143.5171.6-65.1-76.3000109.7R59 P65R59-F63 HydrophobicContact CB-CE2 4.36Å; R59-F63 HydrophobicContact CB-CZ 4.18Å; F63-P65 WeakPolarHBondContact O-CD 3.33Å
64K90.4Very high89.9Confident193 Ų193129.8 Ų129.884%0.83966%0.662SS**PPolyproline II helixtrans-60.6123.6168.2-177.3-178.3174.7-176.10107.7
65P88.6Confident90.1Very high96 Ų96126.3 Ų126.362%0.62365%0.65SS**PPolyproline II helixtrans-61.8148.9175.320.7-26.8000110.3F63F63-P65 WeakPolarHBondContact O-CD 3.33Å
66E86.8Confident90.2Very high180 Ų180130 Ų13084%0.84166%0.663SS**PPolyproline II helixtrans-60.2151.7171.3-169.3168.8-174.100110H68E66-H68 PolarHBondContact O-N 3.43Å; E66-H68 VanDerWaalsContact O-N 3.16Å
67V84Confident90.3Very high120 Ų120125.3 Ų125.373%0.72764%0.636SS**PPolyproline II helixtrans-57.9123.8179.2-177.90000108.1
68H80.4Confident90.5Very high129 Ų129123.9 Ų123.960%0.59763%0.625SS**PPolyproline II helixtrans-57.1149.2175.5-69.2-62.6000110.6E66 E70 I73E66-H68 PolarHBondContact O-N 3.43Å; E66-H68 VanDerWaalsContact O-N 3.16Å; H68-E70 PolarHBondContact O-N 2.97Å; H68-I73 HydrophobicContact CB-CD1 4.42Å
69D89.8Confident90.7Very high111 Ų111121.9 Ų121.959%0.59461%0.613SS**PPolyproline II helixtrans-52124.9173.4-172-3.4000110.2A71 V72D69-A71 PolarHBondContact O-N 3.09Å; D69-A71 VanDerWaalsContact O-N 3.08Å; D69-A71 PolarHBondContact OD1-N 2.99Å; D69-V72 HydrophobicContact CB-CG2 4.24Å; D69-V72 PolarHBondContact O-N 3.21Å
70E92.1Very high90.8Very high144 Ų144114 Ų11467%0.67359%0.587SS**Hα-helixtrans-56-29.6-177.1-62.7-174168.600111.3H68 V72 I73 N74H68-E70 PolarHBondContact O-N 2.97Å; E70-V72 VanDerWaalsContact C-N 3.34Å; E70-V72 PolarHBondContact O-N 3.28Å; E70-I73 PolarHBondContact O-N 3.35Å; E70-N74 WeakPolarHBondContact O-CB 3.43Å; E70-N74 VanDerWaalsContact O-CG 3.3Å; E70-N74 PolarHBondContact O-N 3.31Å; E70-N74 PolarHBondContact O-ND2 3.08Å; E70-N74 VanDerWaalsContact O-ND2 3.09Å
71A93.1Very high91.2Very high48 Ų48110.7 Ų110.740%0.39757%0.574SS.*Hα-helixtrans-58.5-42.6175.500000112.6D69 N74 D75D69-A71 PolarHBondContact O-N 3.09Å; D69-A71 VanDerWaalsContact O-N 3.08Å; D69-A71 PolarHBondContact OD1-N 2.99Å; A71-N74 PolarHBondContact O-N 3.37Å; A71-D75 PolarHBondContact O-N 3.39Å
72V93.4Very high91.5Very high93 Ų93115.8 Ų115.856%0.56458%0.581SS**Hα-helixtrans-68.1-39.6-178.41800000111.1D69 E70 Y76D69-V72 HydrophobicContact CB-CG2 4.24Å; D69-V72 PolarHBondContact O-N 3.21Å; E70-V72 VanDerWaalsContact C-N 3.34Å; E70-V72 PolarHBondContact O-N 3.28Å; V72-Y76 PolarHBondContact O-N 3.4Å; V72-Y76 VanDerWaalsContact O-N 3.08Å
73I93.6Very high91.8Very high78 Ų78110.8 Ų110.840%0.455%0.553SS.*Hα-helixtrans-65.2-44.8176.6-62.4173.7000110H68 E70 D75 Y76 I77H68-I73 HydrophobicContact CB-CD1 4.42Å; E70-I73 PolarHBondContact O-N 3.35Å; I73-D75 PolarHBondContact O-N 3.01Å; I73-Y76 WeakPolarHBondContact O-CB 3.46Å; I73-Y76 PolarHBondContact O-N 3.04Å; I73-I77 HydrophobicContact CG2-CD1 3.72Å; I73-I77 HydrophobicContact CG2-CG1 4.39Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.37Å; I73-I77 PolarHBondContact O-N 3.33Å
74N95.2Very high91.8Very high85 Ų85112.8 Ų112.846%0.45556%0.556SS.*Hα-helixtrans-62.3-43.7178.4-75.1-35.8000111.9E70 A71 Y76 I77 I78E70-N74 WeakPolarHBondContact O-CB 3.43Å; E70-N74 VanDerWaalsContact O-CG 3.3Å; E70-N74 PolarHBondContact O-N 3.31Å; E70-N74 PolarHBondContact O-ND2 3.08Å; E70-N74 VanDerWaalsContact O-ND2 3.09Å; A71-N74 PolarHBondContact O-N 3.37Å; N74-Y76 VanDerWaalsContact C-N 3.32Å; N74-Y76 PolarHBondContact O-N 3.08Å; N74-I77 PolarHBondContact O-N 2.98Å; N74-I78 WeakPolarHBondContact O-CB 3.15Å; N74-I78 WeakPolarHBondContact O-CD1 3.34Å; N74-I78 WeakPolarHBondContact O-CG1 3.5Å; N74-I78 PolarHBondContact O-N 3.16Å
75D95.8Very high91.8Very high111 Ų111109.6 Ų109.659%0.59455%0.546SS*.Hα-helixtrans-61.2-41.1176.3-79.1-10.7000112.1A71 I73 K79A71-D75 PolarHBondContact O-N 3.39Å; I73-D75 PolarHBondContact O-N 3.01Å; D75-K79 WeakPolarHBondContact O-CB 3.44Å; D75-K79 PolarHBondContact O-N 3.14Å
76Y93.7Very high91.7Very high170 Ų170110.8 Ų110.867%0.66754%0.541SS*.Hα-helixtrans-62.1-47.4174.1177.3-98.9000112.1V72 I73 N74 K79 A80V72-Y76 PolarHBondContact O-N 3.4Å; V72-Y76 VanDerWaalsContact O-N 3.08Å; I73-Y76 WeakPolarHBondContact O-CB 3.46Å; I73-Y76 PolarHBondContact O-N 3.04Å; N74-Y76 VanDerWaalsContact C-N 3.32Å; N74-Y76 PolarHBondContact O-N 3.08Å; Y76-K79 PolarHBondContact O-N 3.37Å; Y76-A80 WeakPolarHBondContact O-CB 3.39Å; Y76-A80 PolarHBondContact O-N 2.87Å
77I93.8Very high91.9Very high77 Ų77110.6 Ų110.640%0.39555%0.546SS..Hα-helixtrans-63.2-44.3178.9-68.3168.9000110.8I73 N74 K79 A80 I81I73-I77 HydrophobicContact CG2-CD1 3.72Å; I73-I77 HydrophobicContact CG2-CG1 4.39Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.37Å; I73-I77 PolarHBondContact O-N 3.33Å; N74-I77 PolarHBondContact O-N 2.98Å; I77-K79 VanDerWaalsContact C-N 3.29Å; I77-K79 PolarHBondContact O-N 3.5Å; I77-A80 PolarHBondContact O-N 3.23Å; I77-I81 HydrophobicContact CG2-CD1 3.7Å; I77-I81 HydrophobicContact CG2-CG1 4.34Å; I77-I81 VanDerWaalsContact O-CG1 3.3Å; I77-I81 WeakPolarHBondContact O-CG1 3.02Å; I77-I81 PolarHBondContact O-N 3.16Å
78I95.9Very high92.1Very high78 Ų78108.8 Ų108.840%0.454%0.539SS..Hα-helixtrans-59.6-43.1177.2-70.5164.5000110.1N74 K82N74-I78 WeakPolarHBondContact O-CB 3.15Å; N74-I78 WeakPolarHBondContact O-CD1 3.34Å; N74-I78 WeakPolarHBondContact O-CG1 3.5Å; N74-I78 PolarHBondContact O-N 3.16Å; I78-K82 HydrophobicContact CG2-CD 3.97Å; I78-K82 VanDerWaalsContact CG2-CE 3.48Å; I78-K82 WeakPolarHBondContact O-CB 3.3Å; I78-K82 VanDerWaalsContact O-CG 3.23Å; I78-K82 WeakPolarHBondContact O-CG 3.38Å; I78-K82 PolarHBondContact O-N 3.06Å
79K95.4Very high92.5Very high116 Ų116108.8 Ų108.850%0.50455%0.55SS.*Hα-helixtrans-63.2-47.7175.6-174.5-179.1176-1750111.6D75 Y76 I77 I81 K82 E83D75-K79 WeakPolarHBondContact O-CB 3.44Å; D75-K79 PolarHBondContact O-N 3.14Å; Y76-K79 PolarHBondContact O-N 3.37Å; I77-K79 VanDerWaalsContact C-N 3.29Å; I77-K79 PolarHBondContact O-N 3.5Å; K79-I81 VanDerWaalsContact C-N 3.33Å; K79-I81 PolarHBondContact O-N 2.93Å; K79-K82 PolarHBondContact O-N 3.27Å; K79-E83 WeakPolarHBondContact CE-OE1 3.23Å; K79-E83 HydrophobicContact CG-CG 4.42Å; K79-E83 WeakPolarHBondContact O-CB 3.16Å; K79-E83 WeakPolarHBondContact O-CG 3.38Å; K79-E83 PolarHBondContact O-N 2.82Å
80A94.2Very high92.3Very high18 Ų18109.3 Ų109.315%0.14956%0.557CS.*Hα-helixtrans-59.7-41.7178.800000112.2Y76 I77 E83 R84 M85Y76-A80 WeakPolarHBondContact O-CB 3.39Å; Y76-A80 PolarHBondContact O-N 2.87Å; I77-A80 PolarHBondContact O-N 3.23Å; A80-E83 CarbonylContact O-C 3.55Å; A80-E83 PolarHBondContact O-N 3.42Å; A80-R84 WeakPolarHBondContact O-CA 3.39Å; A80-R84 PolarHBondContact O-N 3.37Å; A80-M85 PolarHBondContact O-N 3.14Å
81I95Very high91.9Very high97 Ų97111.8 Ų111.850%0.49757%0.566SS.*Hα-helixtrans-66.3-44.9176-67169.5000111.1I77 K79 E83 R84 F86I77-I81 HydrophobicContact CG2-CD1 3.7Å; I77-I81 HydrophobicContact CG2-CG1 4.34Å; I77-I81 VanDerWaalsContact O-CG1 3.3Å; I77-I81 WeakPolarHBondContact O-CG1 3.02Å; I77-I81 PolarHBondContact O-N 3.16Å; K79-I81 VanDerWaalsContact C-N 3.33Å; K79-I81 PolarHBondContact O-N 2.93Å; I81-E83 VanDerWaalsContact C-N 3.28Å; I81-E83 PolarHBondContact O-N 3.42Å; I81-R84 PolarHBondContact O-N 2.96Å; I81-F86 HydrophobicContact CB-CZ 4.47Å; I81-F86 HydrophobicContact CG1-CE1 4.16Å; I81-F86 HydrophobicContact CG1-CZ 4.12Å
82K94.9Very high91.4Very high162 Ų162119.3 Ų119.370%0.70459%0.59SS**Hα-helixtrans-59.8-40.5175.4-76.7172.1179.7172.50111.4I78 K79 R84I78-K82 HydrophobicContact CG2-CD 3.97Å; I78-K82 VanDerWaalsContact CG2-CE 3.48Å; I78-K82 WeakPolarHBondContact O-CB 3.3Å; I78-K82 VanDerWaalsContact O-CG 3.23Å; I78-K82 WeakPolarHBondContact O-CG 3.38Å; I78-K82 PolarHBondContact O-N 3.06Å; K79-K82 PolarHBondContact O-N 3.27Å; K82-R84 VanDerWaalsContact C-N 3.34Å
83E94.1Very high90.7Very high76 Ų76121.1 Ų121.136%0.35560%0.601SS.*Hα-helixtrans-82.6-12.9-179.2-68.4175.6178.400113K79 A80 I81 M85 K238K79-E83 WeakPolarHBondContact CE-OE1 3.23Å; K79-E83 HydrophobicContact CG-CG 4.42Å; K79-E83 WeakPolarHBondContact O-CB 3.16Å; K79-E83 WeakPolarHBondContact O-CG 3.38Å; K79-E83 PolarHBondContact O-N 2.82Å; A80-E83 CarbonylContact O-C 3.55Å; A80-E83 PolarHBondContact O-N 3.42Å; I81-E83 VanDerWaalsContact C-N 3.28Å; I81-E83 PolarHBondContact O-N 3.42Å; E83-M85 HydrophobicContact CB-CG 3.85Å; E83-M85 HydrophobicContact CB-SD 3.94Å; E83-K238 PolarHBondContact O-NZ 3.44Å
84R88.4Confident89.7Confident186 Ų186125.9 Ų125.970%0.70262%0.619SS**THydrogen-bonded Turntrans55.537.6-172.8-57-178.5-177.1179.6-0.4112.7A80 I81 K82 F86A80-R84 WeakPolarHBondContact O-CA 3.39Å; A80-R84 PolarHBondContact O-N 3.37Å; I81-R84 PolarHBondContact O-N 2.96Å; K82-R84 VanDerWaalsContact C-N 3.34Å; R84-F86 HydrophobicContact CB-CD2 4.39Å; R84-F86 HydrophobicContact CB-CE2 4.13Å; R84-F86 HydrophobicContact CG-CE2 4.5Å; R84-F86 PolarHBondContact O-N 3.36Å
85M89Confident88.2Confident127 Ų127130.1 Ų130.163%0.62664%0.636SS**  trans-88.286.6177.8-69.6179.462.500108.6A80 E83A80-M85 PolarHBondContact O-N 3.14Å; E83-M85 HydrophobicContact CB-CG 3.85Å; E83-M85 HydrophobicContact CB-SD 3.94Å
86F88.3Confident86.7Confident121 Ų121131.1 Ų131.153%0.53165%0.645SS.*  trans-116.7126.4178.7-57.5-71.1000110I81 R84 S88I81-F86 HydrophobicContact CB-CZ 4.47Å; I81-F86 HydrophobicContact CG1-CE1 4.16Å; I81-F86 HydrophobicContact CG1-CZ 4.12Å; R84-F86 HydrophobicContact CB-CD2 4.39Å; R84-F86 HydrophobicContact CB-CE2 4.13Å; R84-F86 HydrophobicContact CG-CE2 4.5Å; R84-F86 PolarHBondContact O-N 3.36Å; F86-S88 PolarHBondContact O-N 3.21Å
87D90.1Very high85Confident175 Ų175132.3 Ų132.394%0.93665%0.654SS**  trans-87.732.2175.5-60.5-28.5000111.9
88S89Confident83.3Confident82 Ų82130.8 Ų130.857%0.57366%0.658SS**PPolyproline II helixtrans-73.3138.7178.7-58.10000111F86 V90F86-S88 PolarHBondContact O-N 3.21Å; S88-V90 PolarHBondContact O-N 3.28Å
89P87.9Confident81.2Confident130 Ų130132.1 Ų132.184%0.84467%0.671SS**PPolyproline II helixtrans-62.6130.3178.226-33.6000110.6
90V85.4Confident78.7Confident121 Ų121132 Ų13273%0.73369%0.685SS**PPolyproline II helixtrans-91.2136.9177.5-177.80000109.9S88 K92S88-V90 PolarHBondContact O-N 3.28Å; V90-K92 PolarHBondContact O-N 2.78Å; V90-K92 VanDerWaalsContact O-N 3.15Å
91F84.6Confident76.7Confident197 Ų197139.4 Ų139.486%0.86471%0.714SS**PPolyproline II helixtrans-60.1117.7171.8-71.3-71.8000110.6V93F91-V93 PolarHBondContact O-N 3Å
92K83Confident74.4Confident206 Ų206143.2 Ų143.290%0.89673%0.729SS**  trans-76.8102.5175.7-63.9179.9-178.1178.50108.7V90 K94V90-K92 PolarHBondContact O-N 2.78Å; V90-K92 VanDerWaalsContact O-N 3.15Å; K92-K94 PolarHBondContact O-N 2.84Å
93V77.8Confident72.6Confident130 Ų130142.4 Ų142.479%0.78873%0.731SS**  trans-75.3121.5163.5-178.20000106.6F91 E95F91-V93 PolarHBondContact O-N 3Å; V93-E95 PolarHBondContact O-N 3.42Å; V93-E95 VanDerWaalsContact O-N 3.17Å
94K72.5Confident70.6Confident179 Ų179143.3 Ų143.378%0.77874%0.744SS**  trans-59.8122.3171.7-69.4177.7-177.9171.10107.2K92 V96K92-K94 PolarHBondContact O-N 2.84Å; K94-V96 VanDerWaalsContact C-N 3.29Å; K94-V96 PolarHBondContact O-N 3.26Å
95E63.3Low69.2Low174 Ų174142.2 Ų142.281%0.81375%0.751SS**  trans-62.196.7172-65.5-175.5166.900107.6V93 K97V93-E95 PolarHBondContact O-N 3.42Å; V93-E95 VanDerWaalsContact O-N 3.17Å; E95-K97 VanDerWaalsContact C-N 3.27Å; E95-K97 PolarHBondContact O-N 3.21Å
96V64.4Low67.5Low132 Ų132143.5 Ų143.580%0.876%0.756SS**  trans-65.2102.4160.7-178.60000103.4K94 G98K94-V96 VanDerWaalsContact C-N 3.29Å; K94-V96 PolarHBondContact O-N 3.26Å; V96-G98 PolarHBondContact O-N 2.97Å
97K57.4Low66.1Low194 Ų194145 Ų14584%0.84377%0.769SS**  trans-5891.4166.5-69.5-176.2179.2-177.70105.6E95E95-K97 VanDerWaalsContact C-N 3.27Å; E95-K97 PolarHBondContact O-N 3.21Å
98G59.4Low64.7Low46 Ų46142.4 Ų142.447%0.47476%0.759SS.*  trans-53.8148.8168.500000107.3V96 S100V96-G98 PolarHBondContact O-N 2.97Å; G98-S100 PolarHBondContact O-N 2.9Å
99P52.3Low63.8Low106 Ų106143.5 Ų143.569%0.68876%0.762SS**  trans-58.3108.8-178.725.6-33.3000107.7K101P99-K101 HydrophobicContact CB-CG 4.21Å; P99-K101 PolarHBondContact O-N 3.23Å
100S41.7Very low63.1Low112 Ų112146.3 Ų146.378%0.78376%0.764SS**  trans-70.687.3171.565.40000105.9G98 E102G98-S100 PolarHBondContact O-N 2.9Å; S100-E102 PolarHBondContact O-N 3.38Å
101K51.7Low62.5Low174 Ų174146.8 Ų146.876%0.75776%0.756SS**  trans-77.459.1175.5-66.6-177.9176.6-177.90109.4P99P99-K101 HydrophobicContact CB-CG 4.21Å; P99-K101 PolarHBondContact O-N 3.23Å
102E48.4Very low62.4Low177 Ų177140.5 Ų140.583%0.82774%0.737SS**  trans-103.880.4153.3-68.9-176.5-165.100104.5S100 P104S100-E102 PolarHBondContact O-N 3.38Å; E102-P104 WeakPolarHBondContact O-CD 3.3Å
103I56.8Low62.4Low146 Ų146136.7 Ų136.775%0.74973%0.726SS**  trans-73.3111168.7-57.6165.2000104.3L105I103-L105 PolarHBondContact O-N 2.88Å; I103-L105 VanDerWaalsContact O-N 3.15Å
104P52.3Low62.7Low95 Ų95134.7 Ų134.762%0.61771%0.713SS**  trans-61.9122172.325.8-31.3000107.6E102 Q106E102-P104 WeakPolarHBondContact O-CD 3.3Å; P104-Q106 PolarHBondContact O-N 3.39Å
105L58.9Low63.3Low162 Ų162131.1 Ų131.185%0.84870%0.7SS**  trans-67.972.5169.5-79.5153.1000108.5I103I103-L105 PolarHBondContact O-N 2.88Å; I103-L105 VanDerWaalsContact O-N 3.15Å
106Q52.5Low64.2Low155 Ų155128.1 Ų128.172%0.72469%0.685SS**  trans-107.6118.5169.3-83.9178.5-18.500107.4P104P104-Q106 PolarHBondContact O-N 3.39Å
107N58Low65Low151 Ų151128.8 Ų128.881%0.80768%0.675SS**  trans91.171.5178.4-45.1-32.9000115.1V109N107-V109 VanDerWaalsContact C-N 3.31Å; N107-V109 PolarHBondContact O-N 3.26Å
108V62.1Low66.1Low122 Ų122124.4 Ų124.474%0.73966%0.657SS**  trans-74.288.3161.6-171.50000107.9
109V70.5Confident67.1Low104 Ų104123 Ų12363%0.6364%0.643SS**  trans-71124.6160.8-1780000106.4N107 K111N107-V109 VanDerWaalsContact C-N 3.31Å; N107-V109 PolarHBondContact O-N 3.26Å; V109-K111 VanDerWaalsContact C-N 3.35Å; V109-K111 PolarHBondContact O-N 2.93Å
110Q72.6Confident68.2Low190 Ų190122.9 Ų122.989%0.88863%0.632SS**  trans-67.592.4177.2-68-174.9-9.600109.5
111K73.1Confident69.8Low130 Ų130121.2 Ų121.257%0.56561%0.614SS**  trans-86.9149.3169-65-173.5179.9-177.30109.3V109 E116V109-K111 VanDerWaalsContact C-N 3.35Å; V109-K111 PolarHBondContact O-N 2.93Å; K111-E116 HydrophobicContact CB-CG 4.26Å
112S82.7Confident70.9Confident65 Ų65119 Ų11946%0.45560%0.604SS.*  trans-66.6144.2173.9176.40000109.8V114 E115 E116S112-V114 PolarHBondContact O-N 3.38Å; S112-V114 VanDerWaalsContact O-N 3.1Å; S112-V114 PolarHBondContact OG-N 2.88Å; S112-E115 PolarHBondContact N-OE2 2.74Å; S112-E115 WeakPolarHBondContact O-CA 3.3Å; S112-E115 WeakPolarHBondContact O-CB 3.48Å; S112-E115 PolarHBondContact O-N 2.84Å; S112-E116 PolarHBondContact O-N 3.45Å
113L82Confident71.8Confident127 Ų127117.5 Ų117.567%0.66559%0.591SS**Hα-helixtrans-54.5-32.3176-177.564000111.7E116 Y117L113-E116 PolarHBondContact O-N 3.29Å; L113-Y117 WeakPolarHBondContact O-CB 3.38Å; L113-Y117 PolarHBondContact O-N 3.46Å
114V85.2Confident72.2Confident87 Ų87115.2 Ų115.253%0.52758%0.58SS.*Hα-helixtrans-64-45.7174.6179.20000110.9S112 E116 Y117 E118S112-V114 PolarHBondContact O-N 3.38Å; S112-V114 VanDerWaalsContact O-N 3.1Å; S112-V114 PolarHBondContact OG-N 2.88Å; V114-E116 VanDerWaalsContact C-N 3.33Å; V114-E116 PolarHBondContact O-N 3.45Å; V114-Y117 PolarHBondContact O-N 3.38Å; V114-Y117 VanDerWaalsContact O-N 3.17Å; V114-E118 HydrophobicContact CG1-CG 4.43Å; V114-E118 WeakPolarHBondContact O-CB 3.5Å; V114-E118 WeakPolarHBondContact O-CG 3.42Å; V114-E118 PolarHBondContact O-N 3.01Å
115E84.5Confident72.6Confident105 Ų105117.8 Ų117.849%0.49158%0.584SS.*Hα-helixtrans-65.7-36.2177.6-65.4172.1159.100111.9S112 Y117 G119S112-E115 PolarHBondContact N-OE2 2.74Å; S112-E115 WeakPolarHBondContact O-CA 3.3Å; S112-E115 WeakPolarHBondContact O-CB 3.48Å; S112-E115 PolarHBondContact O-N 2.84Å; E115-Y117 VanDerWaalsContact C-N 3.33Å; E115-G119 PolarHBondContact O-N 2.72Å
116E81.8Confident72.1Confident110 Ų110114 Ų11451%0.51456%0.564SS.*Hα-helixtrans-64-41.1172.9-69.9-169170.400111.4K111 S112 L113 V114 G119 F120K111-E116 HydrophobicContact CB-CG 4.26Å; S112-E116 PolarHBondContact O-N 3.45Å; L113-E116 PolarHBondContact O-N 3.29Å; V114-E116 VanDerWaalsContact C-N 3.33Å; V114-E116 PolarHBondContact O-N 3.45Å; E116-G119 PolarHBondContact O-N 2.88Å; E116-F120 VanDerWaalsContact O-CB 3.24Å; E116-F120 WeakPolarHBondContact O-CB 3.15Å; E116-F120 PolarHBondContact O-N 2.86Å
117Y81Confident71.8Confident147 Ų147112.8 Ų112.858%0.57656%0.561SS**Hα-helixtrans-69.6-42.6177.8-130.1-88.8000112.1L113 V114 E115 G119 F120 L121L113-Y117 WeakPolarHBondContact O-CB 3.38Å; L113-Y117 PolarHBondContact O-N 3.46Å; V114-Y117 PolarHBondContact O-N 3.38Å; V114-Y117 VanDerWaalsContact O-N 3.17Å; E115-Y117 VanDerWaalsContact C-N 3.33Å; Y117-G119 VanDerWaalsContact C-N 3.35Å; Y117-F120 PolarHBondContact O-N 2.69Å; Y117-L121 HydrophobicContact CD1-CD1 4.18Å; Y117-L121 HydrophobicContact CD1-CG 4.36Å; Y117-L121 WeakPolarHBondContact O-CB 3.4Å; Y117-L121 VanDerWaalsContact O-CG 3.31Å; Y117-L121 WeakPolarHBondContact O-CG 3.3Å; Y117-L121 PolarHBondContact O-N 3.01Å
118E80.7Confident71.5Confident101 Ų101114.2 Ų114.247%0.47256%0.563SS.*Hα-helixtrans-62-43.3173-74.5-177.9-173.600111.3V114 F120 L121 K122V114-E118 HydrophobicContact CG1-CG 4.43Å; V114-E118 WeakPolarHBondContact O-CB 3.5Å; V114-E118 WeakPolarHBondContact O-CG 3.42Å; V114-E118 PolarHBondContact O-N 3.01Å; E118-F120 VanDerWaalsContact C-N 3.34Å; E118-L121 PolarHBondContact O-N 3.41Å; E118-K122 WeakPolarHBondContact O-CB 3.31Å; E118-K122 VanDerWaalsContact O-CG 3.28Å; E118-K122 WeakPolarHBondContact O-CG 3.13Å; E118-K122 PolarHBondContact O-N 2.66Å
119G80.3Confident70.9Confident18 Ų18114.7 Ų114.719%0.18656%0.558CS.*Hα-helixtrans-64.5-38174.900000112.3E115 E116 Y117 R123E115-G119 PolarHBondContact O-N 2.72Å; E116-G119 PolarHBondContact O-N 2.88Å; Y117-G119 VanDerWaalsContact C-N 3.35Å; G119-R123 WeakPolarHBondContact O-CB 3.41Å; G119-R123 VanDerWaalsContact O-CG 3.28Å; G119-R123 WeakPolarHBondContact O-CG 3.27Å; G119-R123 PolarHBondContact O-N 3.2Å; G119-R123 PolarHBondContact O-NH1 3.38Å
120F76.1Confident70.1Confident103 Ų103115.4 Ų115.445%0.45256%0.558SS.*Hα-helixtrans-65.3-45.7173.6177.9-105.1000111.5E116 Y117 E118 R123 N124E116-F120 VanDerWaalsContact O-CB 3.24Å; E116-F120 WeakPolarHBondContact O-CB 3.15Å; E116-F120 PolarHBondContact O-N 2.86Å; Y117-F120 PolarHBondContact O-N 2.69Å; E118-F120 VanDerWaalsContact C-N 3.34Å; F120-R123 PolarHBondContact O-N 3.21Å; F120-N124 WeakPolarHBondContact CD1-ND2 3.16Å; F120-N124 WeakPolarHBondContact CD2-ND2 3.12Å; F120-N124 WeakPolarHBondContact CE1-ND2 3.36Å; F120-N124 WeakPolarHBondContact CE2-ND2 3.48Å; F120-N124 WeakPolarHBondContact CG-ND2 3.34Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.43Å; F120-N124 WeakPolarHBondContact O-CB 3.38Å; F120-N124 PolarHBondContact O-N 3.26Å; F120-N124 PolarHBondContact O-ND2 2.84Å
121L74.6Confident69.3Low77 Ų77113.7 Ų113.740%0.40355%0.55SS..Hα-helixtrans-62.8-43.2176.7-73.1170.6000111.7Y117 E118 N124 Q125Y117-L121 HydrophobicContact CD1-CD1 4.18Å; Y117-L121 HydrophobicContact CD1-CG 4.36Å; Y117-L121 WeakPolarHBondContact O-CB 3.4Å; Y117-L121 VanDerWaalsContact O-CG 3.31Å; Y117-L121 WeakPolarHBondContact O-CG 3.3Å; Y117-L121 PolarHBondContact O-N 3.01Å; E118-L121 PolarHBondContact O-N 3.41Å; L121-N124 PolarHBondContact O-N 2.81Å; L121-Q125 VanDerWaalsContact O-CB 3.27Å; L121-Q125 WeakPolarHBondContact O-CB 3.45Å; L121-Q125 VanDerWaalsContact O-CG 3.26Å; L121-Q125 WeakPolarHBondContact O-CG 3.34Å; L121-Q125 PolarHBondContact O-N 3.21Å
122K74.5Confident68.9Low127 Ų127108.9 Ų108.955%0.55254%0.537SS*.Hα-helixtrans-60.3-47.7174.6-73.7172.3-175174.10111.9E118 N124 Q125 I126E118-K122 WeakPolarHBondContact O-CB 3.31Å; E118-K122 VanDerWaalsContact O-CG 3.28Å; E118-K122 WeakPolarHBondContact O-CG 3.13Å; E118-K122 PolarHBondContact O-N 2.66Å; K122-N124 PolarHBondContact O-N 3Å; K122-Q125 PolarHBondContact O-N 3.03Å; K122-I126 WeakPolarHBondContact O-CB 3.05Å; K122-I126 PolarHBondContact O-N 2.87Å
123R68.8Low68.8Low146 Ų146111.3 Ų111.355%0.55155%0.545SS*.Hα-helixtrans-61.6-31.6176-74.2-175.4-146.3102.2-4.1113.3G119 F120G119-R123 WeakPolarHBondContact O-CB 3.41Å; G119-R123 VanDerWaalsContact O-CG 3.28Å; G119-R123 WeakPolarHBondContact O-CG 3.27Å; G119-R123 PolarHBondContact O-N 3.2Å; G119-R123 PolarHBondContact O-NH1 3.38Å; F120-R123 PolarHBondContact O-N 3.21Å
124N65.1Low69Low97 Ų97110.3 Ų110.352%0.51955%0.546SS..Hα-helixtrans-87-23.4-179.8-68-32.5000113.4F120 L121 K122F120-N124 WeakPolarHBondContact CD1-ND2 3.16Å; F120-N124 WeakPolarHBondContact CD2-ND2 3.12Å; F120-N124 WeakPolarHBondContact CE1-ND2 3.36Å; F120-N124 WeakPolarHBondContact CE2-ND2 3.48Å; F120-N124 WeakPolarHBondContact CG-ND2 3.34Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.43Å; F120-N124 WeakPolarHBondContact O-CB 3.38Å; F120-N124 PolarHBondContact O-N 3.26Å; F120-N124 PolarHBondContact O-ND2 2.84Å; L121-N124 PolarHBondContact O-N 2.81Å; K122-N124 PolarHBondContact O-N 3Å
125Q59Low69.2Low150 Ų150113.6 Ų113.670%0.70156%0.556SS**Hα-helixtrans-93.7-24.4-179.2-71.9177.67.900112.8L121 K122L121-Q125 VanDerWaalsContact O-CB 3.27Å; L121-Q125 WeakPolarHBondContact O-CB 3.45Å; L121-Q125 VanDerWaalsContact O-CG 3.26Å; L121-Q125 WeakPolarHBondContact O-CG 3.34Å; L121-Q125 PolarHBondContact O-N 3.21Å; K122-Q125 PolarHBondContact O-N 3.03Å
126I49.4Very low69.3Low82 Ų82114.1 Ų114.142%0.42156%0.556SS.*SBendtrans-100.8102.5174.3-55.6168.7000107.4K122 E128 E129K122-I126 WeakPolarHBondContact O-CB 3.05Å; K122-I126 PolarHBondContact O-N 2.87Å; I126-E128 PolarHBondContact O-N 3.48Å; I126-E129 HydrophobicContact CG2-CG 4.13Å
127L45.1Very low69.6Low129 Ų129110.8 Ų110.868%0.67554%0.542SS*.THydrogen-bonded Turntrans-49.1122.7162.5-71.3143.4000108.5
128E51.7Low70.2Confident182 Ų182106.1 Ų106.185%0.8553%0.534SS*.THydrogen-bonded Turntrans6742.9159.2-56.7-177153.900119.3I126 D130I126-E128 PolarHBondContact O-N 3.48Å; E128-D130 PolarHBondContact O-N 2.92Å; E128-D130 VanDerWaalsContact O-N 3.09Å
129E49.9Very low70.8Confident132 Ų132106.3 Ų106.362%0.61754%0.537SS*.  trans-72.9104.6154.5-82.2-174.9-174.400108.9I126 Q131I126-E129 HydrophobicContact CG2-CG 4.13Å; E129-Q131 VanDerWaalsContact C-N 3.34Å; E129-Q131 PolarHBondContact O-N 3.16Å
130D53.8Low71.3Confident118 Ų118109.3 Ų109.363%0.63155%0.546SS*.  trans-4992.7172.5-89.4-35.9000110.7E128 G132 N137E128-D130 PolarHBondContact O-N 2.92Å; E128-D130 VanDerWaalsContact O-N 3.09Å; D130-G132 PolarHBondContact O-N 3.49Å; D130-N137 WeakPolarHBondContact CB-ND2 3.46Å; D130-N137 PolarHBondContact O-ND2 3.37Å
131Q55.4Low72.1Confident154 Ų154107.2 Ų107.272%0.7255%0.548SS*.  trans-6723.3171-67.3-76.6-45.800112.5E129E129-Q131 VanDerWaalsContact C-N 3.34Å; E129-Q131 PolarHBondContact O-N 3.16Å
132G64.9Low73.1Confident29 Ų29109.7 Ų109.730%0.29956%0.557SS.*SBendtrans-76.7158.7171.400000111.4D130D130-G132 PolarHBondContact O-N 3.49Å
133D81.1Confident74.1Confident117 Ų117107.9 Ų107.963%0.62655%0.552SS**  trans-51.9128.4170.1-62.7-46.5000109.3Q135 K136 N137D133-Q135 PolarHBondContact O-N 3.06Å; D133-Q135 VanDerWaalsContact O-N 3.08Å; D133-K136 HydrophobicContact CB-CB 4.13Å; D133-K136 WeakPolarHBondContact O-CA 3.41Å; D133-K136 VanDerWaalsContact O-CB 3.31Å; D133-K136 WeakPolarHBondContact O-CB 3.44Å; D133-K136 PolarHBondContact O-N 3.06Å; D133-N137 PolarHBondContact O-N 3.16Å; D133-N137 VanDerWaalsContact O-N 3.13Å
134P86.5Confident75.2Confident106 Ų106106.5 Ų106.569%0.68856%0.555SS**Hα-helixtrans-58.6-31.7-174.322-33.5000112.1N137 A138P134-N137 PolarHBondContact O-N 3.48Å; P134-A138 WeakPolarHBondContact O-CB 3.35Å; P134-A138 PolarHBondContact O-N 3.36Å
135Q88.2Confident76.7Confident156 Ų156107 Ų10773%0.72955%0.554SS**Hα-helixtrans-62.7-41.1172.7-66.9-178.3-29.500112.5D133 A138 I139D133-Q135 PolarHBondContact O-N 3.06Å; D133-Q135 VanDerWaalsContact O-N 3.08Å; Q135-A138 PolarHBondContact O-N 3.02Å; Q135-I139 WeakPolarHBondContact O-CD1 3.23Å; Q135-I139 VanDerWaalsContact O-CG1 3.22Å; Q135-I139 WeakPolarHBondContact O-CG1 3.25Å; Q135-I139 PolarHBondContact O-N 3.4Å
136K88.1Confident78.5Confident115 Ų115104.3 Ų104.350%0.554%0.544SS..Hα-helixtrans-66.6-42178.5-176.3-173.6173.4-167.60111D133 I139 Q140D133-K136 HydrophobicContact CB-CB 4.13Å; D133-K136 WeakPolarHBondContact O-CA 3.41Å; D133-K136 VanDerWaalsContact O-CB 3.31Å; D133-K136 WeakPolarHBondContact O-CB 3.44Å; D133-K136 PolarHBondContact O-N 3.06Å; K136-I139 PolarHBondContact O-N 3.25Å; K136-Q140 VanDerWaalsContact O-CG 3.31Å; K136-Q140 WeakPolarHBondContact O-CG 3.46Å; K136-Q140 PolarHBondContact O-N 2.89Å
137N88.4Confident80.6Confident41 Ų41103.8 Ų103.822%0.21954%0.539CS..Hα-helixtrans-66-40.4177.8-61.5-5000110.9D130 D133 P134 Q140 A141D130-N137 WeakPolarHBondContact CB-ND2 3.46Å; D130-N137 PolarHBondContact O-ND2 3.37Å; D133-N137 PolarHBondContact O-N 3.16Å; D133-N137 VanDerWaalsContact O-N 3.13Å; P134-N137 PolarHBondContact O-N 3.48Å; N137-Q140 PolarHBondContact O-N 3.49Å; N137-A141 PolarHBondContact O-N 2.87Å
138A92.2Very high82.9Confident48 Ų48101.1 Ų101.140%0.39753%0.525SS..Hα-helixtrans-60.3-47.6173.600000112P134 Q135 Q140 A141 E142P134-A138 WeakPolarHBondContact O-CB 3.35Å; P134-A138 PolarHBondContact O-N 3.36Å; Q135-A138 PolarHBondContact O-N 3.02Å; A138-Q140 VanDerWaalsContact C-N 3.3Å; A138-Q140 PolarHBondContact O-N 2.96Å; A138-A141 PolarHBondContact O-N 3.43Å; A138-E142 WeakPolarHBondContact O-CG 3.25Å; A138-E142 PolarHBondContact O-N 3.44Å
139I93.6Very high85.1Confident106 Ų10698 Ų9854%0.54451%0.509SS..Hα-helixtrans-60.2-40.7175.7-68.4163000111.1Q135 K136 E142 M143Q135-I139 WeakPolarHBondContact O-CD1 3.23Å; Q135-I139 VanDerWaalsContact O-CG1 3.22Å; Q135-I139 WeakPolarHBondContact O-CG1 3.25Å; Q135-I139 PolarHBondContact O-N 3.4Å; K136-I139 PolarHBondContact O-N 3.25Å; I139-E142 PolarHBondContact O-N 3.39Å; I139-M143 WeakPolarHBondContact O-CB 3.44Å; I139-M143 PolarHBondContact O-N 3.45Å
140Q91.1Very high87.2Confident81 Ų8195.6 Ų95.638%0.37950%0.5SS..Hα-helixtrans-63.3-41.8176.9-76.5177.6-900112K136 N137 A138 M143 L144K136-Q140 VanDerWaalsContact O-CG 3.31Å; K136-Q140 WeakPolarHBondContact O-CG 3.46Å; K136-Q140 PolarHBondContact O-N 2.89Å; N137-Q140 PolarHBondContact O-N 3.49Å; A138-Q140 VanDerWaalsContact C-N 3.3Å; A138-Q140 PolarHBondContact O-N 2.96Å; Q140-M143 PolarHBondContact O-N 3.19Å; Q140-L144 WeakPolarHBondContact O-CG 3.33Å; Q140-L144 PolarHBondContact O-N 3.45Å
141A93Very high89.2Confident59 Ų5991.3 Ų91.349%0.48848%0.477SS..Hα-helixtrans-64-47.9176.300000112N137 A138 M143 L144 E145N137-A141 PolarHBondContact O-N 2.87Å; A138-A141 PolarHBondContact O-N 3.43Å; A141-M143 VanDerWaalsContact C-N 3.28Å; A141-M143 PolarHBondContact O-N 2.93Å; A141-L144 PolarHBondContact O-N 3.39Å; A141-E145 PolarHBondContact O-N 3.35Å; A141-E145 VanDerWaalsContact O-N 3.08Å
142E95.8Very high91.1Very high129 Ų12992.1 Ų92.160%0.60347%0.474SS*.Hα-helixtrans-59.6-39.3175.3-72.1178.1-173.400111.8A138 I139 E145 L146A138-E142 WeakPolarHBondContact O-CG 3.25Å; A138-E142 PolarHBondContact O-N 3.44Å; I139-E142 PolarHBondContact O-N 3.39Å; E142-E145 PolarHBondContact O-N 3.28Å; E142-L146 WeakPolarHBondContact O-CB 3.24Å; E142-L146 PolarHBondContact O-N 3.45Å
143M94.5Very high92.6Very high89 Ų8997.6 Ų97.644%0.43850%0.495SS..Hα-helixtrans-66.4-40.9178.9-170-177.582.800111.9I139 Q140 A141 L146 F147I139-M143 WeakPolarHBondContact O-CB 3.44Å; I139-M143 PolarHBondContact O-N 3.45Å; Q140-M143 PolarHBondContact O-N 3.19Å; A141-M143 VanDerWaalsContact C-N 3.28Å; A141-M143 PolarHBondContact O-N 2.93Å; M143-L146 PolarHBondContact O-N 3.33Å; M143-F147 HydrophobicContact CE-CD2 4.41Å; M143-F147 HydrophobicContact CE-CE2 3.91Å; M143-F147 HydrophobicContact CG-CD2 3.66Å; M143-F147 HydrophobicContact CG-CE2 3.26Å; M143-F147 HydrophobicContact CG-CZ 4.09Å; M143-F147 WeakPolarHBondContact O-CD2 3.38Å; M143-F147 WeakPolarHBondContact O-CG 3.49Å; M143-F147 PolarHBondContact O-N 2.95Å; M143-F147 HydrophobicContact SD-CE2 3.7Å; M143-F147 HydrophobicContact SD-CZ 4.46Å
144L93.2Very high93.2Very high116 Ų11694.1 Ų94.161%0.60748%0.48SS*.Hα-helixtrans-62.8-44.1174.8-73171.9000111.4Q140 A141 F147 D148Q140-L144 WeakPolarHBondContact O-CG 3.33Å; Q140-L144 PolarHBondContact O-N 3.45Å; A141-L144 PolarHBondContact O-N 3.39Å; L144-F147 PolarHBondContact O-N 2.91Å; L144-D148 PolarHBondContact O-N 3.09Å
145E96.5Very high93.6Very high107 Ų10793.2 Ų93.250%0.548%0.476SS..Hα-helixtrans-63.5-41.7177.1-170.4-171.4163.900111.9A141 E142 K149A141-E145 PolarHBondContact O-N 3.35Å; A141-E145 VanDerWaalsContact O-N 3.08Å; E142-E145 PolarHBondContact O-N 3.28Å; E145-K149 WeakPolarHBondContact O-CG 3.18Å; E145-K149 PolarHBondContact O-N 3.49Å; E145-K149 WeakPolarHBondContact OE1-CE 3.49Å; E145-K149 IonicContact OE1-NZ 2.98Å; E145-K149 PolarHBondContact OE1-NZ 3.37Å
146L95.6Very high93.8Very high95 Ų9591.5 Ų91.550%0.49747%0.472SS..Hα-helixtrans-63.5-45.9177.1178.662.6000111.8E142 M143 K149 L150E142-L146 WeakPolarHBondContact O-CB 3.24Å; E142-L146 PolarHBondContact O-N 3.45Å; M143-L146 PolarHBondContact O-N 3.33Å; L146-K149 PolarHBondContact O-N 3.28Å; L146-L150 HydrophobicContact CD1-CD1 4.3Å; L146-L150 HydrophobicContact CD1-CG 4.4Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 WeakPolarHBondContact O-CG 3.38Å; L146-L150 PolarHBondContact O-N 3.16Å
147F94.4Very high94.2Very high70 Ų7094 Ų9431%0.30748%0.484SS..Hα-helixtrans-67.3-39.9-179.8-73.2-46.7000112.4M143 L144 K149 L150 D151M143-F147 HydrophobicContact CE-CD2 4.41Å; M143-F147 HydrophobicContact CE-CE2 3.91Å; M143-F147 HydrophobicContact CG-CD2 3.66Å; M143-F147 HydrophobicContact CG-CE2 3.26Å; M143-F147 HydrophobicContact CG-CZ 4.09Å; M143-F147 WeakPolarHBondContact O-CD2 3.38Å; M143-F147 WeakPolarHBondContact O-CG 3.49Å; M143-F147 PolarHBondContact O-N 2.95Å; M143-F147 HydrophobicContact SD-CE2 3.7Å; M143-F147 HydrophobicContact SD-CZ 4.46Å; L144-F147 PolarHBondContact O-N 2.91Å; F147-K149 VanDerWaalsContact C-N 3.25Å; F147-K149 PolarHBondContact O-N 2.89Å; F147-L150 HydrophobicContact CD1-CD1 4.23Å; F147-L150 PolarHBondContact O-N 2.92Å; F147-L150 VanDerWaalsContact O-N 3.12Å; F147-D151 VanDerWaalsContact O-CB 3.32Å; F147-D151 WeakPolarHBondContact O-CB 3.31Å; F147-D151 PolarHBondContact O-N 3.33Å
148D93.7Very high94.3Very high74 Ų7495.9 Ų95.940%0.39649%0.491SS..Hα-helixtrans-58.8-38.4174-178.842.9000111.8L144 R152L144-D148 PolarHBondContact O-N 3.09Å; D148-R152 WeakPolarHBondContact O-CB 3.47Å; D148-R152 WeakPolarHBondContact O-CD 3.49Å; D148-R152 WeakPolarHBondContact O-CG 3.4Å; D148-R152 PolarHBondContact O-N 3.27Å; D148-R152 VanDerWaalsContact O-N 3.12Å; D148-R152 IonicContact OD1-CZ 2.61Å; D148-R152 IonicContact OD1-NE 3.53Å; D148-R152 PolarHBondContact OD1-NE 3.22Å; D148-R152 IonicContact OD1-NH2 2.71Å; D148-R152 PolarHBondContact OD1-NH2 2.86Å; D148-R152 IonicContact OD2-CZ 2.96Å; D148-R152 IonicContact OD2-NE 3.14Å; D148-R152 PolarHBondContact OD2-NE 3.18Å; D148-R152 IonicContact OD2-NH2 2.63Å; D148-R152 PolarHBondContact OD2-NH2 2.9Å
149K96.5Very high94.3Very high116 Ų11699.8 Ų99.850%0.50451%0.51SS..Hα-helixtrans-66.7-43.1174-69.5169.9-173.8169.20112.7E145 L146 F147 L153E145-K149 WeakPolarHBondContact O-CG 3.18Å; E145-K149 PolarHBondContact O-N 3.49Å; E145-K149 WeakPolarHBondContact OE1-CE 3.49Å; E145-K149 IonicContact OE1-NZ 2.98Å; E145-K149 PolarHBondContact OE1-NZ 3.37Å; L146-K149 PolarHBondContact O-N 3.28Å; F147-K149 VanDerWaalsContact C-N 3.25Å; F147-K149 PolarHBondContact O-N 2.89Å; K149-L153 WeakPolarHBondContact O-CB 3.15Å; K149-L153 PolarHBondContact O-N 3.28Å
150L95.6Very high94.1Very high82 Ų8299.5 Ų99.543%0.42952%0.515SS..Hα-helixtrans-69.3-38.5179.6-71.6174.2000112.3L146 F147 R152 L153 S154L146-L150 HydrophobicContact CD1-CD1 4.3Å; L146-L150 HydrophobicContact CD1-CG 4.4Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 WeakPolarHBondContact O-CG 3.38Å; L146-L150 PolarHBondContact O-N 3.16Å; F147-L150 HydrophobicContact CD1-CD1 4.23Å; F147-L150 PolarHBondContact O-N 2.92Å; F147-L150 VanDerWaalsContact O-N 3.12Å; L150-R152 VanDerWaalsContact C-N 3.35Å; L150-L153 PolarHBondContact O-N 2.9Å; L150-S154 WeakPolarHBondContact O-CB 3.47Å; L150-S154 PolarHBondContact O-N 2.63Å; L150-S154 PolarHBondContact O-OG 3.27Å
151D95.4Very high93.8Very high28 Ų28101.2 Ų101.215%0.1552%0.522CS..Hα-helixtrans-64.9-41.5177.1-69.3-10.2000110.2F147 S154 S155 L156 F158F147-D151 VanDerWaalsContact O-CB 3.32Å; F147-D151 WeakPolarHBondContact O-CB 3.31Å; F147-D151 PolarHBondContact O-N 3.33Å; D151-S154 WeakPolarHBondContact CA-OG 3.43Å; D151-S154 PolarHBondContact O-N 3.17Å; D151-S154 PolarHBondContact O-OG 3.11Å; D151-S154 VanDerWaalsContact O-OG 3.08Å; D151-S155 PolarHBondContact O-N 3.15Å; D151-L156 HydrophobicContact CB-CD2 4.22Å; D151-L156 PolarHBondContact O-N 3.08Å; D151-F158 HydrophobicContact CB-CD1 4.01Å; D151-F158 HydrophobicContact CB-CE1 3.87Å; D151-F158 HydrophobicContact CB-CZ 4.49Å
152R95.7Very high93.5Very high171 Ų171107.2 Ų107.265%0.64554%0.537SS*.Hα-helixtrans-65.1-42172.3-69.9171.3-165.9-158.94.2112.6D148 L150 S154 S155D148-R152 WeakPolarHBondContact O-CB 3.47Å; D148-R152 WeakPolarHBondContact O-CD 3.49Å; D148-R152 WeakPolarHBondContact O-CG 3.4Å; D148-R152 PolarHBondContact O-N 3.27Å; D148-R152 VanDerWaalsContact O-N 3.12Å; D148-R152 IonicContact OD1-CZ 2.61Å; D148-R152 IonicContact OD1-NE 3.53Å; D148-R152 PolarHBondContact OD1-NE 3.22Å; D148-R152 IonicContact OD1-NH2 2.71Å; D148-R152 PolarHBondContact OD1-NH2 2.86Å; D148-R152 IonicContact OD2-CZ 2.96Å; D148-R152 IonicContact OD2-NE 3.14Å; D148-R152 PolarHBondContact OD2-NE 3.18Å; D148-R152 IonicContact OD2-NH2 2.63Å; D148-R152 PolarHBondContact OD2-NH2 2.9Å; L150-R152 VanDerWaalsContact C-N 3.35Å; R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 2.98Å; R152-S155 PolarHBondContact O-N 3.18Å
153L95.3Very high92.7Very high143 Ų143110.4 Ų110.475%0.74955%0.545SS*.Hα-helixtrans-65.1-33.5178.9-177.863.6000112.4K149 L150 S155K149-L153 WeakPolarHBondContact O-CB 3.15Å; K149-L153 PolarHBondContact O-N 3.28Å; L150-L153 PolarHBondContact O-N 2.9Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.06Å
154S95Very high92.1Very high44 Ų44112.9 Ų112.931%0.30856%0.559SS.*THydrogen-bonded Turntrans-8611.5178.5620000114L150 D151 R152 L156 H157L150-S154 WeakPolarHBondContact O-CB 3.47Å; L150-S154 PolarHBondContact O-N 2.63Å; L150-S154 PolarHBondContact O-OG 3.27Å; D151-S154 WeakPolarHBondContact CA-OG 3.43Å; D151-S154 PolarHBondContact O-N 3.17Å; D151-S154 PolarHBondContact O-OG 3.11Å; D151-S154 VanDerWaalsContact O-OG 3.08Å; R152-S154 VanDerWaalsContact C-N 3.29Å; R152-S154 PolarHBondContact O-N 2.98Å; S154-L156 PolarHBondContact O-N 2.96Å; S154-H157 WeakPolarHBondContact O-CB 2.97Å; S154-H157 PolarHBondContact O-N 2.98Å
155S94.2Very high91.3Very high88 Ų88112 Ų11262%0.61556%0.56SS**THydrogen-bonded Turntrans53.534.1-176.4-57.10000113D151 R152 L153 H157D151-S155 PolarHBondContact O-N 3.15Å; R152-S155 PolarHBondContact O-N 3.18Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.06Å; S155-H157 PolarHBondContact O-N 3.5Å
156L92.7Very high90.4Very high120 Ų120110.8 Ų110.863%0.62857%0.568SS**THydrogen-bonded Turntrans62.321.3-177.5-52.2171.8000114.7D151 S154 F158D151-L156 HydrophobicContact CB-CD2 4.22Å; D151-L156 PolarHBondContact O-N 3.08Å; S154-L156 PolarHBondContact O-N 2.96Å; L156-F158 HydrophobicContact CB-CE1 4.31Å; L156-F158 HydrophobicContact CD2-CE1 4.12Å; L156-F158 PolarHBondContact O-N 2.61Å
157H95.5Very high89.5Confident166 Ų166112 Ų11277%0.76959%0.585SS**  trans-94.666.2173.7-64.7-57.6000111.8S154 S155S154-H157 WeakPolarHBondContact O-CB 2.97Å; S154-H157 PolarHBondContact O-N 2.98Å; S155-H157 PolarHBondContact O-N 3.5Å
158F91.2Very high88.8Confident82 Ų82115 Ų11536%0.3661%0.609SS.*SBendtrans-121.3166.2-179.863.2-86.2000112.2D151 L156 P160D151-F158 HydrophobicContact CB-CD1 4.01Å; D151-F158 HydrophobicContact CB-CE1 3.87Å; D151-F158 HydrophobicContact CB-CZ 4.49Å; L156-F158 HydrophobicContact CB-CE1 4.31Å; L156-F158 HydrophobicContact CD2-CE1 4.12Å; L156-F158 PolarHBondContact O-N 2.61Å; F158-P160 WeakPolarHBondContact O-CD 3.2Å
159V91.9Very high88Confident130 Ų130116.6 Ų116.679%0.78863%0.626SS**PPolyproline II helixtrans-82.3118.7172.1179.10000108
160P89.8Confident87.3Confident100 Ų100114.5 Ų114.565%0.64963%0.63SS**PPolyproline II helixtrans-54147.8-178.2-26.934.4000112.7F158F158-P160 WeakPolarHBondContact O-CD 3.2Å
161H85.3Confident86.8Confident117 Ų117117.3 Ų117.354%0.54264%0.639SS.*PPolyproline II helixtrans-56.6146.9177.8-63.1165.6000111.4Y163H161-Y163 PolarHBondContact O-N 3.17Å
162K85.5Confident86.5Confident184 Ų184119.7 Ų119.780%0.865%0.652SS**PPolyproline II helixtrans-59.6131.3176-67.3174.3-176.3166.20108.6I164K162-I164 PolarHBondContact O-N 2.81Å; K162-I164 VanDerWaalsContact O-N 3.1Å
163Y80.2Confident86.3Confident197 Ų197114 Ų11477%0.77363%0.634SS**PPolyproline II helixtrans-55.4118.3175.1177.2-99.9000110.3H161 P165H161-Y163 PolarHBondContact O-N 3.17Å; Y163-P165 HydrophobicContact CE1-CB 3.93Å
164I80Confident86.1Confident140 Ų140109 Ų10972%0.71861%0.613SS**PPolyproline II helixtrans-102.3123.2168-60.2170.7000105.3K162 A166K162-I164 PolarHBondContact O-N 2.81Å; K162-I164 VanDerWaalsContact O-N 3.1Å; I164-A166 PolarHBondContact O-N 2.72Å
165P78.1Confident85.9Confident99 Ų99107.6 Ų107.664%0.64360%0.604SS**  trans-64.9102.1176.226.5-32.4000109.2Y163Y163-P165 HydrophobicContact CE1-CB 3.93Å
166A77.5Confident85.6Confident80 Ų80106 Ų10666%0.66159%0.593SS**  trans-79.5127.3170.400000108.9I164 T168I164-A166 PolarHBondContact O-N 2.72Å; A166-T168 PolarHBondContact O-N 2.96Å
167S76.2Confident85.4Confident122 Ų122107.1 Ų107.185%0.85359%0.593SS**  trans-89.394.9173.657.50000109.5
168T78.6Confident85.1Confident133 Ų133105.8 Ų105.882%0.81659%0.591SS**  trans-82.7120.3171.9-50.70000109.5A166A166-T168 PolarHBondContact O-N 2.96Å
169S78.7Confident85.1Confident107 Ų107104.8 Ų104.875%0.74859%0.587SS**  trans-91.7110.2172.358.10000110.4
170A81.3Confident85.1Confident71 Ų71107.3 Ų107.359%0.58759%0.59SS**  trans-88.4140.6173.100000111.3L192A170-L192 HydrophobicContact CB-CD1 4.13Å
171K85.8Confident85.1Confident141 Ų141108.4 Ų108.461%0.61360%0.6SS**  trans-93.6153.8171.9-68.6176.8-178.1172.10109.9D173 L192K171-D173 PolarHBondContact O-N 2.82Å; K171-L192 WeakPolarHBondContact O-CD1 3.48Å
172N88.6Confident85.2Confident79 Ų79105.2 Ų105.242%0.42260%0.599SS.*SBendtrans-75.470.3175.8-169.114.6000111.5L192 I197N172-L192 HydrophobicContact CB-CD1 4.44Å; N172-L192 HydrophobicContact CB-CD2 4.21Å; N172-I197 WeakPolarHBondContact ND2-CD1 3.41Å
173D90Very high85.5Confident52 Ų52103.1 Ų103.128%0.27860%0.604SS.*  trans-101.6159.8175.8-78.8-49.7000111.1K171 K177 L191K171-D173 PolarHBondContact O-N 2.82Å; D173-K177 HydrophobicContact CB-CD 3.99Å; D173-K177 IonicContact OD1-NZ 2.66Å; D173-K177 PolarHBondContact OD1-NZ 3.03Å; D173-L191 HydrophobicContact CB-CD1 4.12Å; D173-L191 WeakPolarHBondContact O-CG 2.97Å; D173-L191 PolarHBondContact O-N 3.1Å
174A91.5Very high86Confident36 Ų3698.8 Ų98.830%0.29860%0.599SS.*BIsolated β-bridgetrans-63.6139.3170.200000110.3S176 K177A174-S176 PolarHBondContact O-N 2.91Å; A174-S176 VanDerWaalsContact O-N 3.13Å; A174-K177 WeakPolarHBondContact O-CB 3.44Å; A174-K177 PolarHBondContact O-N 2.89Å
175A91.2Very high86.3Confident15 Ų1596.5 Ų96.512%0.12459%0.591CS.*G310 helixtrans-58.2-28.6179.900000112.6K177 L178 E179 A189 L191A175-K177 PolarHBondContact O-N 2.83Å; A175-K177 VanDerWaalsContact O-N 3.09Å; A175-L178 WeakPolarHBondContact O-CB 3.21Å; A175-L178 PolarHBondContact O-N 3.15Å; A175-E179 PolarHBondContact O-N 2.78Å; A175-A189 WeakPolarHBondContact CB-O 3.44Å; A175-A189 PolarHBondContact N-O 2.91Å; A175-L191 HydrophobicContact CB-CD2 4.29Å
176S88.2Confident86.9Confident54 Ų5498 Ų9838%0.37860%0.598SS.*G310 helixtrans-59.2-21.5176.383.50000113.7A174 L178 E179A174-S176 PolarHBondContact O-N 2.91Å; A174-S176 VanDerWaalsContact O-N 3.13Å; S176-L178 VanDerWaalsContact C-N 3.27Å; S176-E179 PolarHBondContact O-N 3.24Å
177K89Confident87.4Confident145 Ų14596 Ų9663%0.6358%0.579SS**G310 helixtrans-73-21.2175.6-64.6-165.8-170.2171.50113.1D173 A174 A175D173-K177 HydrophobicContact CB-CD 3.99Å; D173-K177 IonicContact OD1-NZ 2.66Å; D173-K177 PolarHBondContact OD1-NZ 3.03Å; A174-K177 WeakPolarHBondContact O-CB 3.44Å; A174-K177 PolarHBondContact O-N 2.89Å; A175-K177 PolarHBondContact O-N 2.83Å; A175-K177 VanDerWaalsContact O-N 3.09Å
178L89.4Confident88Confident138 Ų13897.2 Ų97.272%0.72358%0.581SS**THydrogen-bonded Turntrans-91.7-17.8177.2-173.163.6000111.8A175 S176 L191A175-L178 WeakPolarHBondContact O-CB 3.21Å; A175-L178 PolarHBondContact O-N 3.15Å; S176-L178 VanDerWaalsContact C-N 3.27Å; L178-L191 HydrophobicContact CB-CD2 4.41Å; L178-L191 HydrophobicContact CD2-CD2 4.04Å
179E90Very high88.7Confident61 Ų6193.5 Ų93.529%0.28556%0.564SS.*SBendtrans-68.3147.4179-67.9-177.4-176.100111.5A175 S176 V186 S187A175-E179 PolarHBondContact O-N 2.78Å; S176-E179 PolarHBondContact O-N 3.24Å; E179-V186 PolarHBondContact OE2-N 3.05Å; E179-V186 VanDerWaalsContact OE2-N 3.11Å; E179-S187 WeakPolarHBondContact OE1-CB 3.45Å; E179-S187 PolarHBondContact OE1-N 3Å
180E92Very high89.3Confident182 Ų18292.9 Ų92.985%0.8555%0.552SS**  trans-61.2144.8170.4-175.5178.9174.800109.7G182E180-G182 PolarHBondContact O-N 2.85Å
181S89.4Confident89.7Confident123 Ų12392.9 Ų92.986%0.8654%0.542SS*.SBendtrans-63.6100.3177.258.20000110.8
182G88.4Confident90Very high50 Ų5088.1 Ų88.152%0.51552%0.523SS..  trans-129.1168.3175.400000112.2E180 T184E180-G182 PolarHBondContact O-N 2.85Å; G182-T184 PolarHBondContact O-N 2.88Å
183P90.9Very high90Very high141 Ų14186.4 Ų86.492%0.91652%0.52SS*.SBendtrans-72.2-6-179.529.9-35.8000113.9
184T90.5Very high90.1Very high106 Ų10689 Ų8965%0.6554%0.54SS*.SBendtrans-138.4135.3-177-53.80000109.8G182G182-T184 PolarHBondContact O-N 2.88Å
185V87.9Confident90Very high92 Ų9293.6 Ų93.656%0.55856%0.555SS**  trans-88.3128.8172.7177.40000108.4S187V185-S187 VanDerWaalsContact CG1-O 3.3Å; V185-S187 WeakPolarHBondContact CG1-O 3.31Å
186V89.2Confident89.9Confident130 Ų13098.9 Ų98.979%0.78858%0.577SS**  trans-91-45.8-179.1-179.10000110.7E179E179-V186 PolarHBondContact OE2-N 3.05Å; E179-V186 VanDerWaalsContact OE2-N 3.11Å
187S87.9Confident90Very high39 Ų39100.4 Ų100.427%0.27358%0.58SS.*  trans-103.4135.5-174.1-171.40000113.4E179 V185 A189E179-S187 WeakPolarHBondContact OE1-CB 3.45Å; E179-S187 PolarHBondContact OE1-N 3Å; V185-S187 VanDerWaalsContact CG1-O 3.3Å; V185-S187 WeakPolarHBondContact CG1-O 3.31Å; S187-A189 PolarHBondContact OG-N 3Å
188T90.7Very high89.9Confident146 Ų14697.9 Ų97.990%0.89658%0.58SS**  trans-1051173.855.10000113.3
189A91.9Very high89.7Confident55 Ų5596 Ų9646%0.45558%0.576SS.*SBendtrans-82.1163.6-177.500000112.6A175 S187A175-A189 WeakPolarHBondContact CB-O 3.44Å; A175-A189 PolarHBondContact N-O 2.91Å; S187-A189 PolarHBondContact OG-N 3Å
190N92.1Very high89.1Confident94 Ų9497.2 Ų97.250%0.50359%0.589SS.*BIsolated β-bridgetrans-88.5159167-67.8-24.4000110.6
191L90.2Very high88Confident72 Ų7297.8 Ų97.838%0.37758%0.584SS.*SBendtrans-67.4-34.6-179-69.8179.3000113.5D173 A175 L178D173-L191 HydrophobicContact CB-CD1 4.12Å; D173-L191 WeakPolarHBondContact O-CG 2.97Å; D173-L191 PolarHBondContact O-N 3.1Å; A175-L191 HydrophobicContact CB-CD2 4.29Å; L178-L191 HydrophobicContact CB-CD2 4.41Å; L178-L191 HydrophobicContact CD2-CD2 4.04Å
192L90.7Very high87.3Confident40 Ų4095.8 Ų95.821%0.20958%0.582CS.*SBendtrans-90.3138.9179.4-90.365.7000111.3A170 K171 N172 E196 I197A170-L192 HydrophobicContact CB-CD1 4.13Å; K171-L192 WeakPolarHBondContact O-CD1 3.48Å; N172-L192 HydrophobicContact CB-CD1 4.44Å; N172-L192 HydrophobicContact CB-CD2 4.21Å; L192-E196 VanDerWaalsContact CA-OE2 3.28Å; L192-E196 WeakPolarHBondContact CA-OE2 3.28Å; L192-E196 HydrophobicContact CB-CB 4.38Å; L192-E196 HydrophobicContact CD2-CB 4.3Å; L192-E196 HydrophobicContact CG-CB 4.26Å; L192-E196 WeakPolarHBondContact CG-OE2 3.44Å; L192-I197 HydrophobicContact CB-CD1 4.32Å; L192-I197 HydrophobicContact CB-CG1 4.02Å; L192-I197 HydrophobicContact CD2-CG1 4.37Å
193A89.5Confident86.7Confident44 Ų4499 Ų9936%0.36458%0.584SS.*  trans-69.8153.317200000111E195 E196 I197A193-E195 PolarHBondContact O-N 2.95Å; A193-E195 VanDerWaalsContact O-N 3.12Å; A193-E196 HydrophobicContact CB-CG 4.19Å; A193-E196 PolarHBondContact N-OE2 2.9Å; A193-E196 WeakPolarHBondContact O-CB 3.24Å; A193-E196 PolarHBondContact O-N 3.42Å; A193-I197 PolarHBondContact O-N 3Å
194P90.9Very high86.2Confident105 Ų10599.7 Ų99.768%0.68258%0.578SS**Hα-helixtrans-54.9-32.2174.9-2735.2000113.6I197 C198P194-I197 PolarHBondContact O-N 2.83Å; P194-C198 PolarHBondContact O-N 3.1Å
195E90.9Very high85.7Confident133 Ų133100.3 Ų100.362%0.62158%0.577SS**Hα-helixtrans-71.7-25.6177.1-63.4-172.7174.200113.5A193 C198 P199A193-E195 PolarHBondContact O-N 2.95Å; A193-E195 VanDerWaalsContact O-N 3.12Å; E195-C198 WeakPolarHBondContact CA-O 3.31Å; E195-C198 CarbonylContact O-C 3.3Å; E195-C198 VanDerWaalsContact O-C 3.3Å; E195-P199 WeakPolarHBondContact O-CA 3.39Å
196E89.3Confident85.6Confident127 Ų12799.4 Ų99.459%0.59357%0.568SS**Hα-helixtrans-79.8-33.3175.9-64.5173.3151.600111L192 A193L192-E196 VanDerWaalsContact CA-OE2 3.28Å; L192-E196 WeakPolarHBondContact CA-OE2 3.28Å; L192-E196 HydrophobicContact CB-CB 4.38Å; L192-E196 HydrophobicContact CD2-CB 4.3Å; L192-E196 HydrophobicContact CG-CB 4.26Å; L192-E196 WeakPolarHBondContact CG-OE2 3.44Å; A193-E196 HydrophobicContact CB-CG 4.19Å; A193-E196 PolarHBondContact N-OE2 2.9Å; A193-E196 WeakPolarHBondContact O-CB 3.24Å; A193-E196 PolarHBondContact O-N 3.42Å
197I89.2Confident85.4Confident86 Ų8694.8 Ų94.844%0.44155%0.546SS..Hα-helixtrans-74-42.6173.4-57.1168000110.2N172 L192 A193 P194N172-I197 WeakPolarHBondContact ND2-CD1 3.41Å; L192-I197 HydrophobicContact CB-CD1 4.32Å; L192-I197 HydrophobicContact CB-CG1 4.02Å; L192-I197 HydrophobicContact CD2-CG1 4.37Å; A193-I197 PolarHBondContact O-N 3Å; P194-I197 PolarHBondContact O-N 2.83Å
198C87.5Confident85.3Confident91 Ų91101.6 Ų101.662%0.61557%0.571SS**SBendtrans-134.895.7-177.3-79.40000109.6P194 E195P194-C198 PolarHBondContact O-N 3.1Å; E195-C198 WeakPolarHBondContact CA-O 3.31Å; E195-C198 CarbonylContact O-C 3.3Å; E195-C198 VanDerWaalsContact O-C 3.3Å
199P85Confident85.2Confident98 Ų98102.5 Ų102.564%0.63657%0.571SS**  trans-59.8136.8-177.423.8-33.8000110.7E195 R201E195-P199 WeakPolarHBondContact O-CA 3.39Å; P199-R201 PolarHBondContact O-N 3.3Å
200P78Confident85.1Confident88 Ų88106.8 Ų106.857%0.57158%0.581SS**  trans-59.4116.6-179.923.2-32.3000109G202P200-G202 PolarHBondContact O-N 2.98Å
201R67.5Low85Confident194 Ų194105.9 Ų105.973%0.73257%0.57SS**  trans-73.284.3170.7-66.9179.4178.7-170.42.7106.4P199 E203P199-R201 PolarHBondContact O-N 3.3Å; R201-E203 VanDerWaalsContact C-N 3.28Å; R201-E203 CarbonylContact O-C 3.52Å; R201-E203 PolarHBondContact O-N 2.82Å
202G76.1Confident85Confident80 Ų80106 Ų10683%0.82558%0.575SS**SBendtrans-44-46.6-163.100000115.4P200P200-G202 PolarHBondContact O-N 2.98Å
203E74.5Confident85Confident118 Ų118110.4 Ų110.455%0.55160%0.597SS**SBendtrans-103.5142.9172.4-72.8173.6165.600110.6R201 L205 K222R201-E203 VanDerWaalsContact C-N 3.28Å; R201-E203 CarbonylContact O-C 3.52Å; R201-E203 PolarHBondContact O-N 2.82Å; E203-L205 PolarHBondContact O-N 2.8Å; E203-K222 IonicContact OE1-NZ 3.28Å; E203-K222 PolarHBondContact OE1-NZ 3.27Å; E203-K222 IonicContact OE2-NZ 3.26Å; E203-K222 PolarHBondContact OE2-NZ 3.36Å
204I80.6Confident85.2Confident155 Ų155111.6 Ų111.680%0.79561%0.607SS**  trans-50.1127.1171.4-55.8168.9000108.4I206I204-I206 PolarHBondContact O-N 2.99Å
205L80.6Confident85.2Confident120 Ų120109.6 Ų109.663%0.62859%0.591SS**  trans-71.792.2-178.5-67.8-178.7000110.2E203E203-L205 PolarHBondContact O-N 2.8Å
206I84.9Confident85.2Confident73 Ų73109.8 Ų109.837%0.37459%0.586SS.*  trans-86.7127.5172.1-54.7173.2000109.1I204 E210 R211I204-I206 PolarHBondContact O-N 2.99Å; I206-E210 HydrophobicContact CG2-CB 3.68Å; I206-R211 HydrophobicContact CB-CG 4.33Å; I206-R211 HydrophobicContact CG2-CG 3.79Å; I206-R211 PolarHBondContact O-NE 3.27Å; I206-R211 VanDerWaalsContact O-NE 3.08Å; I206-R211 PolarHBondContact O-NH2 3.37Å
207G85.4Confident85.4Confident32 Ų32110.5 Ų110.533%0.3358%0.583SS.*  trans-59.3153.917800000112.3N209 E210 R211G207-N209 PolarHBondContact O-N 3.46Å; G207-E210 PolarHBondContact N-OE2 2.82Å; G207-E210 PolarHBondContact O-N 2.79Å; G207-R211 WeakPolarHBondContact O-CG 3.5Å
208K86.6Confident85.6Confident183 Ų183115.5 Ų115.580%0.79660%0.597SS**THydrogen-bonded Turntrans-60.4-30.5-178.6-68.9-178.6-176.7171.70112.8
209N88.9Confident85.7Confident165 Ų165114.7 Ų114.788%0.88258%0.584SS**THydrogen-bonded Turntrans-82-24-177.2-60.7-9.5000112.8G207 R211G207-N209 PolarHBondContact O-N 3.46Å; N209-R211 VanDerWaalsContact C-N 3.35Å
210E89.6Confident86.1Confident144 Ų144116.4 Ų116.467%0.67358%0.577SS**THydrogen-bonded Turntrans-85.1-11.2-179.2-64.8164.3-178.500112.4I206 G207 T212I206-E210 HydrophobicContact CG2-CB 3.68Å; G207-E210 PolarHBondContact N-OE2 2.82Å; G207-E210 PolarHBondContact O-N 2.79Å; E210-T212 PolarHBondContact O-N 3.38Å
211R88.9Confident86.9Confident75 Ų75119.9 Ų119.928%0.28358%0.579SS.*  trans-78.4123.9-177.1-71174-169-162.4-2.4111.8I206 G207 N209 D215 R216I206-R211 HydrophobicContact CB-CG 4.33Å; I206-R211 HydrophobicContact CG2-CG 3.79Å; I206-R211 PolarHBondContact O-NE 3.27Å; I206-R211 VanDerWaalsContact O-NE 3.08Å; I206-R211 PolarHBondContact O-NH2 3.37Å; G207-R211 WeakPolarHBondContact O-CG 3.5Å; N209-R211 VanDerWaalsContact C-N 3.35Å; R211-D215 HydrophobicContact CB-CB 4.41Å; R211-R216 HydrophobicContact CB-CG 4.09Å
212T90.6Very high88.1Confident76 Ų76114.6 Ų114.647%0.46656%0.561SS.*  trans-63.9162.7170.672.50000111.3E210 A214 D215 R216E210-T212 PolarHBondContact O-N 3.38Å; T212-A214 PolarHBondContact O-N 3.46Å; T212-D215 WeakPolarHBondContact CB-OD2 3.42Å; T212-D215 PolarHBondContact N-OD2 3.27Å; T212-D215 PolarHBondContact O-N 2.92Å; T212-D215 PolarHBondContact OG1-N 3.45Å; T212-D215 PolarHBondContact OG1-OD2 2.82Å; T212-R216 PolarHBondContact O-N 2.81Å; T212-R216 VanDerWaalsContact O-N 3.09Å
213L91.4Very high88.9Confident131 Ų131114 Ų11469%0.68654%0.539SS*.Hα-helixtrans-60.2-35.5173.9-73.6169.9000112R216 R217L213-R216 PolarHBondContact O-N 3.17Å; L213-R217 PolarHBondContact O-N 2.98Å
214A92.3Very high89.8Confident69 Ų69114 Ų11457%0.5754%0.54SS*.Hα-helixtrans-62.6-45.8175.400000111.8T212 R216 R217 R218T212-A214 PolarHBondContact O-N 3.46Å; A214-R216 PolarHBondContact O-N 3.44Å; A214-R217 WeakPolarHBondContact O-CB 3.43Å; A214-R217 PolarHBondContact O-N 3.48Å; A214-R217 VanDerWaalsContact O-N 3.16Å; A214-R218 PolarHBondContact O-N 2.83Å
215D91.5Very high90.4Very high63 Ų63114.3 Ų114.334%0.33753%0.532SS..Hα-helixtrans-63.2-43.3178.4-60.6-38.8000111.6R211 T212 R217 R218 H219R211-D215 HydrophobicContact CB-CB 4.41Å; T212-D215 WeakPolarHBondContact CB-OD2 3.42Å; T212-D215 PolarHBondContact N-OD2 3.27Å; T212-D215 PolarHBondContact O-N 2.92Å; T212-D215 PolarHBondContact OG1-N 3.45Å; T212-D215 PolarHBondContact OG1-OD2 2.82Å; D215-R217 VanDerWaalsContact C-N 3.29Å; D215-R217 PolarHBondContact O-N 3.08Å; D215-R218 PolarHBondContact O-N 3.39Å; D215-H219 WeakPolarHBondContact O-CB 3.43Å; D215-H219 PolarHBondContact O-N 3.13Å
216R91.4Very high90.9Very high137 Ų137111.8 Ų111.852%0.51752%0.518SS..Hα-helixtrans-58.4-41.1174.3-73.6-173.4-88.5167.6-9.6111.8R211 T212 L213 A214 R220R211-R216 HydrophobicContact CB-CG 4.09Å; T212-R216 PolarHBondContact O-N 2.81Å; T212-R216 VanDerWaalsContact O-N 3.09Å; L213-R216 PolarHBondContact O-N 3.17Å; A214-R216 PolarHBondContact O-N 3.44Å; R216-R220 WeakPolarHBondContact O-CB 3.22Å; R216-R220 PolarHBondContact O-N 2.98Å
217R93.7Very high91.3Very high143 Ų143116 Ų11654%0.5453%0.529SS..Hα-helixtrans-67.6-42.5177.6-161.6178.6-155.3176.86.7111.9L213 A214 D215 R220 R221L213-R217 PolarHBondContact O-N 2.98Å; A214-R217 WeakPolarHBondContact O-CB 3.43Å; A214-R217 PolarHBondContact O-N 3.48Å; A214-R217 VanDerWaalsContact O-N 3.16Å; D215-R217 VanDerWaalsContact C-N 3.29Å; D215-R217 PolarHBondContact O-N 3.08Å; R217-R220 PolarHBondContact O-N 3.49Å; R217-R221 WeakPolarHBondContact O-CG 3.48Å; R217-R221 PolarHBondContact O-N 2.88Å
218R92.1Very high91.4Very high191 Ų191117.9 Ų117.972%0.72154%0.537SS*.Hα-helixtrans-62.6-49176.2-175-171.9-69.9-114.22.6111.1A214 D215 R220 R221 K222A214-R218 PolarHBondContact O-N 2.83Å; D215-R218 PolarHBondContact O-N 3.39Å; R218-R220 VanDerWaalsContact C-N 3.33Å; R218-R220 PolarHBondContact O-N 3.12Å; R218-R221 PolarHBondContact O-N 2.96Å; R218-R221 VanDerWaalsContact O-N 3.16Å; R218-K222 PolarHBondContact O-N 2.97Å
219H90.2Very high91.5Very high74 Ų74115.9 Ų115.934%0.34353%0.528SS..Hα-helixtrans-58.3-43.3176.8177.7-98.6000112D215 R221 K222 L223D215-H219 WeakPolarHBondContact O-CB 3.43Å; D215-H219 PolarHBondContact O-N 3.13Å; H219-R221 PolarHBondContact O-N 3.3Å; H219-K222 WeakPolarHBondContact O-CB 3.41Å; H219-K222 PolarHBondContact O-N 2.85Å; H219-L223 WeakPolarHBondContact CE1-CD1 3.47Å; H219-L223 WeakPolarHBondContact O-CG 3.19Å; H219-L223 PolarHBondContact O-N 3.44Å
220R92.7Very high91.3Very high133 Ų133114.5 Ų114.550%0.50252%0.517SS..Hα-helixtrans-61-44.6175-172.5-179.569.1-150.65112.3R216 R217 R218 L223 M224R216-R220 WeakPolarHBondContact O-CB 3.22Å; R216-R220 PolarHBondContact O-N 2.98Å; R217-R220 PolarHBondContact O-N 3.49Å; R218-R220 VanDerWaalsContact C-N 3.33Å; R218-R220 PolarHBondContact O-N 3.12Å; R220-L223 PolarHBondContact O-N 3.47Å; R220-M224 HydrophobicContact CG-CE 4.25Å; R220-M224 HydrophobicContact CG-SD 4.41Å; R220-M224 WeakPolarHBondContact O-CB 3.49Å; R220-M224 WeakPolarHBondContact O-CG 3.28Å; R220-M224 PolarHBondContact O-N 3.22Å
221R94.7Very high90.4Very high162 Ų162113.9 Ų113.961%0.61152%0.517SS*.Hα-helixtrans-62.1-42175.8-73.4176.7176.1171.4-1.7111.6R217 R218 H219 M224 R225R217-R221 WeakPolarHBondContact O-CG 3.48Å; R217-R221 PolarHBondContact O-N 2.88Å; R218-R221 PolarHBondContact O-N 2.96Å; R218-R221 VanDerWaalsContact O-N 3.16Å; H219-R221 PolarHBondContact O-N 3.3Å; R221-M224 PolarHBondContact O-N 3.24Å; R221-R225 PolarHBondContact O-N 2.96Å
222K93.2Very high89Confident82 Ų82114.4 Ų114.436%0.35753%0.532SS..Hα-helixtrans-59.2-50.4174.8-177.3-177.5175-175.70111.2E203 R218 H219 M224 R225 I226E203-K222 IonicContact OE1-NZ 3.28Å; E203-K222 PolarHBondContact OE1-NZ 3.27Å; E203-K222 IonicContact OE2-NZ 3.26Å; E203-K222 PolarHBondContact OE2-NZ 3.36Å; R218-K222 PolarHBondContact O-N 2.97Å; H219-K222 WeakPolarHBondContact O-CB 3.41Å; H219-K222 PolarHBondContact O-N 2.85Å; K222-M224 PolarHBondContact O-N 2.87Å; K222-R225 WeakPolarHBondContact O-CB 3.42Å; K222-R225 PolarHBondContact O-N 3Å; K222-I226 HydrophobicContact CG-CD1 4.09Å; K222-I226 WeakPolarHBondContact O-CG1 3.48Å; K222-I226 PolarHBondContact O-N 3.31Å
223L92.7Very high87.5Confident67 Ų67114.7 Ų114.735%0.35154%0.536SS..Hα-helixtrans-61.9-40177-74.1179.6000112.6H219 R220 R225 I226 R227H219-L223 WeakPolarHBondContact CE1-CD1 3.47Å; H219-L223 WeakPolarHBondContact O-CG 3.19Å; H219-L223 PolarHBondContact O-N 3.44Å; R220-L223 PolarHBondContact O-N 3.47Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 3.39Å; L223-I226 PolarHBondContact O-N 3.22Å; L223-R227 WeakPolarHBondContact O-CB 3.37Å; L223-R227 WeakPolarHBondContact O-CG 3.34Å; L223-R227 PolarHBondContact O-N 2.95Å
224M93.9Very high85.7Confident119 Ų119114.1 Ų114.159%0.58654%0.54SS*.Hα-helixtrans-61.3-41.6174.4-77.4179.7167.100111.8R220 R221 K222 R227 S228R220-M224 HydrophobicContact CG-CE 4.25Å; R220-M224 HydrophobicContact CG-SD 4.41Å; R220-M224 WeakPolarHBondContact O-CB 3.49Å; R220-M224 WeakPolarHBondContact O-CG 3.28Å; R220-M224 PolarHBondContact O-N 3.22Å; R221-M224 PolarHBondContact O-N 3.24Å; K222-M224 PolarHBondContact O-N 2.87Å; M224-R227 PolarHBondContact O-N 3.36Å; M224-S228 WeakPolarHBondContact O-CB 3.48Å; M224-S228 PolarHBondContact O-N 3.09Å; M224-S228 PolarHBondContact O-OG 3.19Å
225R93.1Very high83.8Confident162 Ų162117.9 Ų117.961%0.61154%0.543SS*.Hα-helixtrans-64.6-40.2175.7-169.1-178.886.4169.45.4112.6R221 K222 L223 S228 K229R221-R225 PolarHBondContact O-N 2.96Å; K222-R225 WeakPolarHBondContact O-CB 3.42Å; K222-R225 PolarHBondContact O-N 3Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 3.39Å; R225-S228 PolarHBondContact O-OG 3.08Å; R225-K229 WeakPolarHBondContact O-CG 3.28Å; R225-K229 PolarHBondContact O-N 3.26Å
226I92.1Very high81.8Confident67 Ų67124.6 Ų124.634%0.34457%0.569SS.*Hα-helixtrans-66.2-47.2177.6-66.2165.6000109.7K222 L223 S228 K229 Q230K222-I226 HydrophobicContact CG-CD1 4.09Å; K222-I226 WeakPolarHBondContact O-CG1 3.48Å; K222-I226 PolarHBondContact O-N 3.31Å; L223-I226 PolarHBondContact O-N 3.22Å; I226-S228 PolarHBondContact O-N 3.37Å; I226-K229 PolarHBondContact O-N 3.42Å; I226-Q230 WeakPolarHBondContact O-CG 3.43Å; I226-Q230 PolarHBondContact O-N 2.85Å; I226-Q230 VanDerWaalsContact O-N 3.11Å
227R91.6Very high79.8Confident162 Ų162120.6 Ų120.661%0.61157%0.571SS**Hα-helixtrans-61.9-40.6177.1-72.7177.7179.1-179.3-0.8112.4L223 M224 K229 Q230 L231L223-R227 WeakPolarHBondContact O-CB 3.37Å; L223-R227 WeakPolarHBondContact O-CG 3.34Å; L223-R227 PolarHBondContact O-N 2.95Å; M224-R227 PolarHBondContact O-N 3.36Å; R227-K229 VanDerWaalsContact C-N 3.29Å; R227-K229 PolarHBondContact O-N 2.95Å; R227-Q230 PolarHBondContact O-N 3.42Å; R227-Q230 VanDerWaalsContact O-N 3.16Å; R227-L231 VanDerWaalsContact O-CD1 3.25Å; R227-L231 WeakPolarHBondContact O-CD1 3.16Å; R227-L231 PolarHBondContact O-N 2.97Å
228S89Confident77.8Confident71 Ų71121 Ų12150%0.49758%0.576SS.*Hα-helixtrans-63.7-35.4179.170.10000112.4M224 R225 I226 S232M224-S228 WeakPolarHBondContact O-CB 3.48Å; M224-S228 PolarHBondContact O-N 3.09Å; M224-S228 PolarHBondContact O-OG 3.19Å; R225-S228 PolarHBondContact O-OG 3.08Å; I226-S228 PolarHBondContact O-N 3.37Å; S228-S232 PolarHBondContact O-N 2.89Å
229K88.8Confident76Confident140 Ų140117 Ų11761%0.60957%0.573SS**Hα-helixtrans-70.4-33.4173.9-70.1-177.8177.3-161.70112.9R225 I226 R227 S232R225-K229 WeakPolarHBondContact O-CG 3.28Å; R225-K229 PolarHBondContact O-N 3.26Å; I226-K229 PolarHBondContact O-N 3.42Å; R227-K229 VanDerWaalsContact C-N 3.29Å; R227-K229 PolarHBondContact O-N 2.95Å; K229-S232 PolarHBondContact O-OG 2.85Å
230Q83.5Confident74.5Confident136 Ų136115.9 Ų115.964%0.63657%0.569SS**Hα-helixtrans-78.3-23.4176.6-70.6177-10.400113.2I226 R227 P233I226-Q230 WeakPolarHBondContact O-CG 3.43Å; I226-Q230 PolarHBondContact O-N 2.85Å; I226-Q230 VanDerWaalsContact O-N 3.11Å; R227-Q230 PolarHBondContact O-N 3.42Å; R227-Q230 VanDerWaalsContact O-N 3.16Å; Q230-P233 VanDerWaalsContact O-CD 3.25Å; Q230-P233 WeakPolarHBondContact O-CD 3.36Å
231L72Confident73.3Confident132 Ų132114.8 Ų114.869%0.69157%0.57SS**SBendtrans-87.6-2.2174.6-95.483.4000113.6R227 P233R227-L231 VanDerWaalsContact O-CD1 3.25Å; R227-L231 WeakPolarHBondContact O-CD1 3.16Å; R227-L231 PolarHBondContact O-N 2.97Å; L231-P233 VanDerWaalsContact O-CD 3.23Å; L231-P233 WeakPolarHBondContact O-CD 3.42Å
232S59.3Low72.2Confident85 Ų85117.6 Ų117.659%0.59458%0.581SS**  trans-96.934.5173.463.30000115.4S228 K229S228-S232 PolarHBondContact O-N 2.89Å; K229-S232 PolarHBondContact O-OG 2.85Å
233P58.2Low71.5Confident83 Ų83119.4 Ų119.454%0.53959%0.59SS.*SBendtrans-71.4149.4155.730.2-23.2000107.3Q230 L231 K235Q230-P233 VanDerWaalsContact O-CD 3.25Å; Q230-P233 WeakPolarHBondContact O-CD 3.36Å; L231-P233 VanDerWaalsContact O-CD 3.23Å; L231-P233 WeakPolarHBondContact O-CD 3.42Å; P233-K235 PolarHBondContact O-N 3.36Å
234P54.5Low70.9Confident118 Ų118121.9 Ų121.977%0.76660%0.602SS**  trans-55.8113.3-178.324.1-33.1000108.3K236P234-K236 PolarHBondContact O-N 3.28Å
235K52.1Low70.3Confident148 Ų148118.9 Ų118.964%0.64360%0.596SS**  trans-55106.7174.6-76.3-177.7172.1-178.70107.1P233 G237 E241P233-K235 PolarHBondContact O-N 3.36Å; K235-G237 PolarHBondContact O-N 3.04Å; K235-E241 IonicContact NZ-OE1 2.7Å; K235-E241 PolarHBondContact NZ-OE1 3.12Å
236K49Very low69.8Low205 Ų205117.5 Ų117.589%0.89160%0.598SS**  trans-53.4109.2166.1-74.1-177.8173.5-175.20107.4P234P234-K236 PolarHBondContact O-N 3.28Å
237G48.8Very low69.5Low53 Ų53116.4 Ų116.455%0.54660%0.599SS.*  trans60.4139.4166.100000116.6K235 V239K235-G237 PolarHBondContact O-N 3.04Å; G237-V239 PolarHBondContact O-N 2.91Å
238K52.6Low69.2Low150 Ų150115.5 Ų115.565%0.65260%0.6SS**SBendtrans-64.218162.5-87.6174.8170.1172.10113.6E83 D240E83-K238 PolarHBondContact O-NZ 3.44Å; K238-D240 PolarHBondContact O-N 3.19Å
239V54.2Low69Low107 Ų107115.6 Ų115.665%0.64860%0.597SS**SBendtrans-72104.1171.5-171.90000105.4G237G237-V239 PolarHBondContact O-N 2.91Å
240D59.1Low68.9Low51 Ų51111.5 Ų111.527%0.27358%0.584SS.*SBendtrans89.924.5158.5-59.4-6.7000118.6K238 R242 Q243 M244K238-D240 PolarHBondContact O-N 3.19Å; D240-R242 VanDerWaalsContact C-N 3.27Å; D240-R242 PolarHBondContact O-N 2.79Å; D240-Q243 HydrophobicContact CB-CB 3.68Å; D240-Q243 HydrophobicContact CB-CG 4.08Å; D240-Q243 PolarHBondContact O-N 3.26Å; D240-Q243 WeakPolarHBondContact OD1-CG 3.32Å; D240-Q243 PolarHBondContact OD1-NE2 3.12Å; D240-Q243 PolarHBondContact OD1-OE1 3.03Å; D240-Q243 PolarHBondContact OD2-OE1 3.29Å; D240-M244 HydrophobicContact CB-CE 4.44Å; D240-M244 HydrophobicContact CB-CG 4.43Å; D240-M244 WeakPolarHBondContact O-CA 3.45Å; D240-M244 WeakPolarHBondContact O-CB 3.48Å; D240-M244 VanDerWaalsContact O-CE 3.27Å; D240-M244 WeakPolarHBondContact O-CE 3.26Å; D240-M244 WeakPolarHBondContact O-CG 3.48Å; D240-M244 PolarHBondContact O-N 3.48Å
241E67.6Low69Low111 Ų111112.7 Ų112.752%0.51959%0.587SS.*Hα-helixtrans-61.9-40.9161.5-80.7-168.6169.300111K235 A245K235-E241 IonicContact NZ-OE1 2.7Å; K235-E241 PolarHBondContact NZ-OE1 3.12Å; E241-A245 WeakPolarHBondContact O-CB 3.17Å; E241-A245 PolarHBondContact O-N 3.28Å
242R71.5Confident69.8Low220 Ų220110.7 Ų110.783%0.8358%0.575SS**Hα-helixtrans-65.7-44.8171.8-87.2-174.9174.6167.9-1.6112.1D240 A245 M246D240-R242 VanDerWaalsContact C-N 3.27Å; D240-R242 PolarHBondContact O-N 2.79Å; R242-A245 PolarHBondContact O-N 3.08Å; R242-M246 WeakPolarHBondContact O-CB 3.27Å; R242-M246 PolarHBondContact O-N 3.46Å
243Q77.9Confident71Confident120 Ų120107.3 Ų107.356%0.56155%0.552SS**Hα-helixtrans-72.3-34.9-179.2-50.2-171.91800112.2D240 M246 A247D240-Q243 HydrophobicContact CB-CB 3.68Å; D240-Q243 HydrophobicContact CB-CG 4.08Å; D240-Q243 PolarHBondContact O-N 3.26Å; D240-Q243 WeakPolarHBondContact OD1-CG 3.32Å; D240-Q243 PolarHBondContact OD1-NE2 3.12Å; D240-Q243 PolarHBondContact OD1-OE1 3.03Å; D240-Q243 PolarHBondContact OD2-OE1 3.29Å; Q243-M246 PolarHBondContact O-N 2.91Å; Q243-A247 WeakPolarHBondContact O-CB 3.45Å; Q243-A247 PolarHBondContact O-N 3.43Å
244M80.1Confident72.3Confident120 Ų120110.9 Ų110.959%0.59156%0.561SS**Hα-helixtrans-66.8-39.7171-74.7-175.7-89.400111.3D240 A247 K248D240-M244 HydrophobicContact CB-CE 4.44Å; D240-M244 HydrophobicContact CB-CG 4.43Å; D240-M244 WeakPolarHBondContact O-CA 3.45Å; D240-M244 WeakPolarHBondContact O-CB 3.48Å; D240-M244 VanDerWaalsContact O-CE 3.27Å; D240-M244 WeakPolarHBondContact O-CE 3.26Å; D240-M244 WeakPolarHBondContact O-CG 3.48Å; D240-M244 PolarHBondContact O-N 3.48Å; M244-A247 PolarHBondContact O-N 2.93Å; M244-K248 VanDerWaalsContact O-CB 3.31Å; M244-K248 WeakPolarHBondContact O-CB 3.49Å; M244-K248 PolarHBondContact O-N 3.39Å
245A81.6Confident73.8Confident56 Ų56113.6 Ų113.646%0.46356%0.556SS.*Hα-helixtrans-63.3-46.7173.200000110.8E241 R242 K248 V249E241-A245 WeakPolarHBondContact O-CB 3.17Å; E241-A245 PolarHBondContact O-N 3.28Å; R242-A245 PolarHBondContact O-N 3.08Å; A245-K248 PolarHBondContact O-N 2.97Å; A245-V249 WeakPolarHBondContact O-CG2 3.37Å; A245-V249 PolarHBondContact O-N 3.01Å
246M82.7Confident75Confident132 Ų132112.3 Ų112.365%0.6556%0.563SS**Hα-helixtrans-60.5-46.5173.3-81.4-176.273.100111.6R242 Q243 K248 V249 T250R242-M246 WeakPolarHBondContact O-CB 3.27Å; R242-M246 PolarHBondContact O-N 3.46Å; Q243-M246 PolarHBondContact O-N 2.91Å; M246-K248 PolarHBondContact O-N 3.29Å; M246-V249 CarbonylContact O-C 3.56Å; M246-V249 PolarHBondContact O-N 2.91Å; M246-T250 WeakPolarHBondContact O-CG2 3.37Å; M246-T250 PolarHBondContact O-N 2.63Å; M246-T250 PolarHBondContact O-OG1 3.41Å
247A84.7Confident76.7Confident45 Ų45110.5 Ų110.537%0.37256%0.564SS.*Hα-helixtrans-61.7-32.9178.100000112.4Q243 M244 T250 K251Q243-A247 WeakPolarHBondContact O-CB 3.45Å; Q243-A247 PolarHBondContact O-N 3.43Å; M244-A247 PolarHBondContact O-N 2.93Å; A247-T250 VanDerWaalsContact CA-OG1 3.3Å; A247-T250 WeakPolarHBondContact CA-OG1 3.35Å; A247-T250 PolarHBondContact O-OG1 2.85Å; A247-K251 WeakPolarHBondContact O-CB 3.13Å; A247-K251 WeakPolarHBondContact O-CG 3.43Å; A247-K251 PolarHBondContact O-N 2.71Å
248K86.2Confident78.3Confident143 Ų143109.9 Ų109.962%0.62255%0.551SS**Hα-helixtrans-70.2-42.9173-170.9177-178.9-1780111.1M244 A245 M246 K251 M252M244-K248 VanDerWaalsContact O-CB 3.31Å; M244-K248 WeakPolarHBondContact O-CB 3.49Å; M244-K248 PolarHBondContact O-N 3.39Å; A245-K248 PolarHBondContact O-N 2.97Å; M246-K248 PolarHBondContact O-N 3.29Å; K248-K251 PolarHBondContact O-N 3.23Å; K248-M252 VanDerWaalsContact O-CG 3.3Å; K248-M252 WeakPolarHBondContact O-CG 3.47Å; K248-M252 PolarHBondContact O-N 3.02Å
249V84.9Confident79.8Confident73 Ų73110.8 Ų110.844%0.44256%0.563SS.*Hα-helixtrans-64.4-43.4176173.40000111A245 M246 M252 A253 I260A245-V249 WeakPolarHBondContact O-CG2 3.37Å; A245-V249 PolarHBondContact O-N 3.01Å; M246-V249 CarbonylContact O-C 3.56Å; M246-V249 PolarHBondContact O-N 2.91Å; V249-M252 PolarHBondContact O-N 2.7Å; V249-M252 VanDerWaalsContact O-N 3.16Å; V249-A253 WeakPolarHBondContact O-CB 3.39Å; V249-A253 PolarHBondContact O-N 2.85Å; V249-I260 HydrophobicContact CG1-CG2 4.26Å
250T86.7Confident81.2Confident53 Ų53109.1 Ų109.133%0.32555%0.549SS..Hα-helixtrans-65-41.3176.758.50000111.7M246 A247 M252 A253 H254 I262M246-T250 WeakPolarHBondContact O-CG2 3.37Å; M246-T250 PolarHBondContact O-N 2.63Å; M246-T250 PolarHBondContact O-OG1 3.41Å; A247-T250 VanDerWaalsContact CA-OG1 3.3Å; A247-T250 WeakPolarHBondContact CA-OG1 3.35Å; A247-T250 PolarHBondContact O-OG1 2.85Å; T250-M252 VanDerWaalsContact C-N 3.31Å; T250-M252 PolarHBondContact O-N 3.26Å; T250-A253 PolarHBondContact O-N 3.13Å; T250-H254 PolarHBondContact O-CD2 3.09Å; T250-H254 PolarHBondContact O-N 2.95Å; T250-H254 VanDerWaalsContact O-N 3.14Å; T250-I262 HydrophobicContact CG2-CD1 3.98Å
251K86.5Confident82.1Confident162 Ų162116 Ų11670%0.70458%0.577SS**Hα-helixtrans-60.4-38.5171.1-84.2-178.1178.2177.90112.8A247 K248A247-K251 WeakPolarHBondContact O-CB 3.13Å; A247-K251 WeakPolarHBondContact O-CG 3.43Å; A247-K251 PolarHBondContact O-N 2.71Å; K248-K251 PolarHBondContact O-N 3.23Å
252M87Confident82.6Confident89 Ų89115.1 Ų115.144%0.43858%0.575SS.*Hα-helixtrans-69.3-36.4176.5-74.1179.166.200111.8K248 V249 T250 H254 R255 S258 I260K248-M252 VanDerWaalsContact O-CG 3.3Å; K248-M252 WeakPolarHBondContact O-CG 3.47Å; K248-M252 PolarHBondContact O-N 3.02Å; V249-M252 PolarHBondContact O-N 2.7Å; V249-M252 VanDerWaalsContact O-N 3.16Å; T250-M252 VanDerWaalsContact C-N 3.31Å; T250-M252 PolarHBondContact O-N 3.26Å; M252-H254 PolarHBondContact O-N 3.28Å; M252-R255 PolarHBondContact O-N 2.98Å; M252-S258 WeakPolarHBondContact O-CB 3.12Å; M252-I260 HydrophobicContact CB-CD1 3.93Å; M252-I260 HydrophobicContact CE-CD1 4.39Å
253A85.8Confident82.8Confident15 Ų15112.2 Ų112.212%0.12457%0.574CS.*Hα-helixtrans-65.2-34.8177.300000113V249 T250 R255 S258 I260 I262V249-A253 WeakPolarHBondContact O-CB 3.39Å; V249-A253 PolarHBondContact O-N 2.85Å; T250-A253 PolarHBondContact O-N 3.13Å; A253-R255 VanDerWaalsContact C-N 3.29Å; A253-R255 PolarHBondContact O-N 3.44Å; A253-S258 WeakPolarHBondContact CA-OG 3.47Å; A253-S258 PolarHBondContact O-OG 2.88Å; A253-I260 HydrophobicContact CB-CB 4.08Å; A253-I260 HydrophobicContact CB-CG2 3.99Å; A253-I262 HydrophobicContact CB-CD1 3.71Å; A253-I262 HydrophobicContact CB-CG1 3.74Å
254H84.8Confident82.5Confident157 Ų157119.2 Ų119.273%0.72760%0.603SS**THydrogen-bonded Turntrans-78.9-0.5178.6-72.4-57.3000115.4T250 M252T250-H254 PolarHBondContact O-CD2 3.09Å; T250-H254 PolarHBondContact O-N 2.95Å; T250-H254 VanDerWaalsContact O-N 3.14Å; M252-H254 PolarHBondContact O-N 3.28Å
255R85.9Confident82.7Confident175 Ų175119.2 Ų119.266%0.6660%0.603SS**SBendtrans-72.7135.7175.5-72.6-179.8141.4-173.1-8.3110.5M252 A253 N257 S258M252-R255 PolarHBondContact O-N 2.98Å; A253-R255 VanDerWaalsContact C-N 3.29Å; A253-R255 PolarHBondContact O-N 3.44Å; R255-N257 PolarHBondContact O-N 3.49Å; R255-S258 WeakPolarHBondContact O-CB 3.3Å; R255-S258 PolarHBondContact O-N 3.11Å
256P78.3Confident82.7Confident122 Ų122122.5 Ų122.579%0.79261%0.611SS**THydrogen-bonded Turntrans-57.9131.9170.423.8-30.5000109
257N84.6Confident82.7Confident167 Ų167122 Ų12289%0.89361%0.608SS**THydrogen-bonded Turntrans73.721.7-169.7-54.9-19.9000117.1R255R255-N257 PolarHBondContact O-N 3.49Å
258S82.3Confident82.6Confident40 Ų40126.5 Ų126.528%0.2862%0.622SS.*  trans-78.1136.6170.4103.90000111.9M252 A253 R255 I260M252-S258 WeakPolarHBondContact O-CB 3.12Å; A253-S258 WeakPolarHBondContact CA-OG 3.47Å; A253-S258 PolarHBondContact O-OG 2.88Å; R255-S258 WeakPolarHBondContact O-CB 3.3Å; R255-S258 PolarHBondContact O-N 3.11Å; S258-I260 VanDerWaalsContact C-N 3.27Å; S258-I260 PolarHBondContact OG-N 3.22Å
259N84.6Confident82.4Confident168 Ų168125.5 Ų125.590%0.89862%0.622SS**  trans-87.18.5172.5-72.2-18.4000112.8
260I82.1Confident82.2Confident72 Ų72129 Ų12937%0.36963%0.634SS.*  trans-96.1108.5-173.3-55.4173.9000108.5V249 M252 A253 S258V249-I260 HydrophobicContact CG1-CG2 4.26Å; M252-I260 HydrophobicContact CB-CD1 3.93Å; M252-I260 HydrophobicContact CE-CD1 4.39Å; A253-I260 HydrophobicContact CB-CB 4.08Å; A253-I260 HydrophobicContact CB-CG2 3.99Å; S258-I260 VanDerWaalsContact C-N 3.27Å; S258-I260 PolarHBondContact OG-N 3.22Å
261K78.2Confident81.9Confident197 Ų197134.4 Ų134.486%0.85766%0.657SS**  trans-89.2124.6171.8-66.1-177.3-179.9179.70109.6
262I78Confident81.6Confident91 Ų91132.3 Ų132.347%0.46765%0.653SS.*  trans-85.8113.4169.9-56.7170.1000107.1T250 A253T250-I262 HydrophobicContact CG2-CD1 3.98Å; A253-I262 HydrophobicContact CB-CD1 3.71Å; A253-I262 HydrophobicContact CB-CG1 3.74Å
263I76.9Confident81.1Confident160 Ų160135.9 Ų135.982%0.82167%0.671SS**  trans-85.5124.2168.3-56.7174.8000106.3
264K71.8Confident80.7Confident267 Ų267146.9 Ų146.9100%1.16172%0.72SS**  trans-77.50173.7-96.9-174.5177.3-179.90110.8

Retrieved 264 of 264 residues in 92.3 ms (Link to these results)