A0A5K4EUW9_SCHMA Loading...

Serine/arginine repetitive matrix protein 2

AlphaFold DB , UniProt , Accession A0A5K4EUW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 270 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
1M65.8Low89.5Confident211 Ų211132.6 Ų132.6100%1.03964%0.643SS**  0114.70-85.1-66-156.400107.3K3M1-K3 PolarHBondContact O-N 3.39Å
2D85.5Confident90Very high121 Ų121132.8 Ų132.865%0.64764%0.641SS**  trans-71.2121.5-178.5-65.9-26.6000109.9K4 L5 V6D2-K4 PolarHBondContact O-N 3.33Å; D2-L5 HydrophobicContact CB-CB 4.12Å; D2-L5 WeakPolarHBondContact O-CB 3.48Å; D2-L5 PolarHBondContact O-N 3.38Å; D2-V6 PolarHBondContact O-N 3.39Å
3K90.2Very high90.3Very high175 Ų175124.8 Ų124.876%0.76161%0.61SS**Hα-helixtrans-52.1-42.4179.7-67.3-171.4176.6-163.90111.7M1 L5 V6 D7M1-K3 PolarHBondContact O-N 3.39Å; K3-L5 VanDerWaalsContact C-N 3.28Å; K3-L5 PolarHBondContact O-N 3.5Å; K3-V6 PolarHBondContact O-N 3.33Å; K3-V6 VanDerWaalsContact O-N 3.15Å; K3-D7 PolarHBondContact O-N 3.05Å
4K90.6Very high90.6Very high171 Ų171121.6 Ų121.674%0.74360%0.602SS**Hα-helixtrans-58.3-35.6176.4-65.9-176.6178.3178.60113.5D2 N8D2-K4 PolarHBondContact O-N 3.33Å; K4-N8 VanDerWaalsContact O-CB 3.31Å; K4-N8 WeakPolarHBondContact O-CB 3.5Å; K4-N8 VanDerWaalsContact O-CG 3.25Å; K4-N8 PolarHBondContact O-N 3.39Å; K4-N8 PolarHBondContact O-ND2 3.46Å; K4-N8 VanDerWaalsContact O-ND2 3.09Å
5L92.3Very high90.9Very high110 Ų110118.7 Ų118.758%0.57659%0.594SS**Hα-helixtrans-71.2-41.9179-175.564.4000110.8D2 K3 Y9D2-L5 HydrophobicContact CB-CB 4.12Å; D2-L5 WeakPolarHBondContact O-CB 3.48Å; D2-L5 PolarHBondContact O-N 3.38Å; K3-L5 VanDerWaalsContact C-N 3.28Å; K3-L5 PolarHBondContact O-N 3.5Å; L5-Y9 WeakPolarHBondContact O-CB 3.43Å; L5-Y9 PolarHBondContact O-N 3.24Å
6V91.3Very high91Very high68 Ų68117.2 Ų117.241%0.41258%0.584SS.*Hα-helixtrans-64.2-46.2175.7-179.30000110.4D2 K3 N8 Y9 V10D2-V6 PolarHBondContact O-N 3.39Å; K3-V6 PolarHBondContact O-N 3.33Å; K3-V6 VanDerWaalsContact O-N 3.15Å; V6-N8 PolarHBondContact O-N 3.41Å; V6-Y9 WeakPolarHBondContact O-CB 3.44Å; V6-Y9 PolarHBondContact O-N 3.24Å; V6-V10 HydrophobicContact CG1-CG2 4.38Å; V6-V10 WeakPolarHBondContact O-CG2 3.46Å; V6-V10 PolarHBondContact O-N 2.98Å
7D93Very high91Very high103 Ų103115.2 Ų115.255%0.55158%0.576SS**Hα-helixtrans-62.3-42.6179.6-63.9-25.4000111.7K3 V10 K11K3-D7 PolarHBondContact O-N 3.05Å; D7-V10 PolarHBondContact O-N 3.34Å; D7-K11 VanDerWaalsContact O-CB 3.31Å; D7-K11 WeakPolarHBondContact O-CB 3.46Å; D7-K11 PolarHBondContact O-N 3.41Å
8N93.3Very high91.1Very high106 Ų106118 Ų11857%0.56758%0.578SS**Hα-helixtrans-63.7-40.8174.9-79-32.4000112.1K4 V6 K11 H12K4-N8 VanDerWaalsContact O-CB 3.31Å; K4-N8 WeakPolarHBondContact O-CB 3.5Å; K4-N8 VanDerWaalsContact O-CG 3.25Å; K4-N8 PolarHBondContact O-N 3.39Å; K4-N8 PolarHBondContact O-ND2 3.46Å; K4-N8 VanDerWaalsContact O-ND2 3.09Å; V6-N8 PolarHBondContact O-N 3.41Å; N8-K11 PolarHBondContact O-N 3.41Å; N8-H12 WeakPolarHBondContact O-CB 3.31Å; N8-H12 PolarHBondContact O-N 3.43Å
9Y93.8Very high91.3Very high174 Ų174115.6 Ų115.668%0.68257%0.571SS**Hα-helixtrans-63.1-45.7175.7178.6-97.2000111.6L5 V6 K11 H12 A13L5-Y9 WeakPolarHBondContact O-CB 3.43Å; L5-Y9 PolarHBondContact O-N 3.24Å; V6-Y9 WeakPolarHBondContact O-CB 3.44Å; V6-Y9 PolarHBondContact O-N 3.24Å; Y9-K11 VanDerWaalsContact C-N 3.34Å; Y9-K11 PolarHBondContact O-N 3.2Å; Y9-H12 PolarHBondContact O-N 3.48Å; Y9-A13 WeakPolarHBondContact O-CB 3.46Å; Y9-A13 PolarHBondContact O-N 3.41Å
10V93.9Very high91.4Very high78 Ų78113.1 Ų113.147%0.47356%0.56SS.*Hα-helixtrans-62.3-42.1177.2172.90000110.9V6 D7 A13 T14V6-V10 HydrophobicContact CG1-CG2 4.38Å; V6-V10 WeakPolarHBondContact O-CG2 3.46Å; V6-V10 PolarHBondContact O-N 2.98Å; D7-V10 PolarHBondContact O-N 3.34Å; V10-A13 PolarHBondContact O-N 3.33Å; V10-T14 WeakPolarHBondContact O-CB 3.32Å; V10-T14 PolarHBondContact O-N 3.47Å; V10-T14 PolarHBondContact O-OG1 3.1Å
11K95.1Very high91.4Very high142 Ų142114.1 Ų114.162%0.61756%0.563SS**Hα-helixtrans-63.4-41.7175.7-171.7177.4-179.3-179.70112.4D7 N8 Y9 T14 T15D7-K11 VanDerWaalsContact O-CB 3.31Å; D7-K11 WeakPolarHBondContact O-CB 3.46Å; D7-K11 PolarHBondContact O-N 3.41Å; N8-K11 PolarHBondContact O-N 3.41Å; Y9-K11 VanDerWaalsContact C-N 3.34Å; Y9-K11 PolarHBondContact O-N 3.2Å; K11-T14 VanDerWaalsContact CA-OG1 3.3Å; K11-T14 WeakPolarHBondContact CA-OG1 3.36Å; K11-T14 PolarHBondContact O-OG1 3.03Å; K11-T15 WeakPolarHBondContact O-CB 3.33Å; K11-T15 PolarHBondContact O-N 3.47Å; K11-T15 PolarHBondContact O-OG1 3.31Å
12H94.9Very high92.7Very high135 Ų135108.4 Ų108.463%0.62553%0.534SS*.Hα-helixtrans-67.4-43.3176.3-172.2-90000111.4N8 Y9 T15 H16N8-H12 WeakPolarHBondContact O-CB 3.31Å; N8-H12 PolarHBondContact O-N 3.43Å; Y9-H12 PolarHBondContact O-N 3.48Å; H12-T15 PolarHBondContact O-N 2.98Å; H12-H16 VanDerWaalsContact O-CB 3.31Å; H12-H16 WeakPolarHBondContact O-CB 3.35Å; H12-H16 PolarHBondContact O-N 3.42Å
13A94.3Very high93.1Very high29 Ų29107.3 Ų107.324%0.2453%0.525CS..Hα-helixtrans-62.8-44.3177.800000112.1Y9 V10 H16 N17Y9-A13 WeakPolarHBondContact O-CB 3.46Å; Y9-A13 PolarHBondContact O-N 3.41Å; V10-A13 PolarHBondContact O-N 3.33Å; A13-H16 PolarHBondContact O-N 2.9Å; A13-N17 WeakPolarHBondContact O-CB 3.46Å; A13-N17 PolarHBondContact O-N 2.99Å; A13-N17 PolarHBondContact O-ND2 3.28Å; A13-N17 PolarHBondContact O-OD1 2.88Å
14T94.4Very high93.1Very high80 Ų80105 Ų10549%0.49152%0.516SS..Hα-helixtrans-62.9-43.1175.537.50000112.1V10 K11 N17 R18V10-T14 WeakPolarHBondContact O-CB 3.32Å; V10-T14 PolarHBondContact O-N 3.47Å; V10-T14 PolarHBondContact O-OG1 3.1Å; K11-T14 VanDerWaalsContact CA-OG1 3.3Å; K11-T14 WeakPolarHBondContact CA-OG1 3.36Å; K11-T14 PolarHBondContact O-OG1 3.03Å; T14-N17 PolarHBondContact O-N 3.35Å; T14-R18 WeakPolarHBondContact O-CB 3.4Å; T14-R18 PolarHBondContact O-N 2.86Å
15T94.4Very high93.3Very high78 Ų78100.1 Ų100.148%0.47950%0.503SS..Hα-helixtrans-63.2-46176.5-53.40000111.4K11 H12 N17 R18 V19K11-T15 WeakPolarHBondContact O-CB 3.33Å; K11-T15 PolarHBondContact O-N 3.47Å; K11-T15 PolarHBondContact O-OG1 3.31Å; H12-T15 PolarHBondContact O-N 2.98Å; T15-N17 PolarHBondContact O-N 3.15Å; T15-R18 WeakPolarHBondContact O-CB 3.41Å; T15-R18 PolarHBondContact O-N 3.26Å; T15-V19 WeakPolarHBondContact O-CG2 3.4Å; T15-V19 PolarHBondContact O-N 3.11Å
16H92.9Very high93.4Very high94 Ų94102.5 Ų102.544%0.43551%0.505SS..Hα-helixtrans-61.3-43.9177.5175-94.9000112.1H12 A13 R18 V19 L20H12-H16 VanDerWaalsContact O-CB 3.31Å; H12-H16 WeakPolarHBondContact O-CB 3.35Å; H12-H16 PolarHBondContact O-N 3.42Å; A13-H16 PolarHBondContact O-N 2.9Å; H16-R18 VanDerWaalsContact C-N 3.35Å; H16-R18 PolarHBondContact O-N 2.94Å; H16-V19 PolarHBondContact O-N 2.91Å; H16-L20 WeakPolarHBondContact CE1-CD1 3.31Å; H16-L20 WeakPolarHBondContact O-CG 3.47Å; H16-L20 PolarHBondContact O-N 3.47Å
17N91.7Very high93.6Very high84 Ų84105.6 Ų105.645%0.44951%0.509SS..Hα-helixtrans-62.1-42.9177.6-70.7-14.8000111.6A13 T14 T15 V19 L20 E21A13-N17 WeakPolarHBondContact O-CB 3.46Å; A13-N17 PolarHBondContact O-N 2.99Å; A13-N17 PolarHBondContact O-ND2 3.28Å; A13-N17 PolarHBondContact O-OD1 2.88Å; T14-N17 PolarHBondContact O-N 3.35Å; T15-N17 PolarHBondContact O-N 3.15Å; N17-V19 VanDerWaalsContact C-N 3.35Å; N17-V19 PolarHBondContact O-N 2.84Å; N17-L20 PolarHBondContact O-N 3.28Å; N17-E21 WeakPolarHBondContact O-CG 3.49Å; N17-E21 PolarHBondContact O-N 3.4Å
18R93Very high93.5Very high165 Ų165103 Ų10362%0.62349%0.493SS*.Hα-helixtrans-57.9-45.6174.2180179.5175.5160.63.1112.1T14 T15 H16 L20 E21 E22T14-R18 WeakPolarHBondContact O-CB 3.4Å; T14-R18 PolarHBondContact O-N 2.86Å; T15-R18 WeakPolarHBondContact O-CB 3.41Å; T15-R18 PolarHBondContact O-N 3.26Å; H16-R18 VanDerWaalsContact C-N 3.35Å; H16-R18 PolarHBondContact O-N 2.94Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 2.92Å; R18-E21 PolarHBondContact O-N 3.32Å; R18-E22 IonicContact CZ-OE1 3.78Å; R18-E22 IonicContact NE-OE1 2.69Å; R18-E22 PolarHBondContact NE-OE1 2.99Å; R18-E22 IonicContact NH2-OE1 3.47Å; R18-E22 WeakPolarHBondContact O-CG 3.4Å; R18-E22 PolarHBondContact O-N 2.95Å
19V93.5Very high93.4Very high73 Ų73101.6 Ų101.644%0.44249%0.485SS..Hα-helixtrans-62.2-40.7177.91720000111.3T15 H16 N17 E22 E23T15-V19 WeakPolarHBondContact O-CG2 3.4Å; T15-V19 PolarHBondContact O-N 3.11Å; H16-V19 PolarHBondContact O-N 2.91Å; N17-V19 VanDerWaalsContact C-N 3.35Å; N17-V19 PolarHBondContact O-N 2.84Å; V19-E22 PolarHBondContact O-N 3.11Å; V19-E23 PolarHBondContact O-N 3.35Å
20L93.5Very high93.3Very high65 Ų65100.7 Ų100.734%0.3449%0.485SS..Hα-helixtrans-64.9-40.4176.5-72.5-177.7000112.6H16 N17 R18 E23 Q24H16-L20 WeakPolarHBondContact CE1-CD1 3.31Å; H16-L20 WeakPolarHBondContact O-CG 3.47Å; H16-L20 PolarHBondContact O-N 3.47Å; N17-L20 PolarHBondContact O-N 3.28Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 2.92Å; L20-E23 PolarHBondContact O-N 3.45Å; L20-Q24 WeakPolarHBondContact O-CB 3.39Å; L20-Q24 VanDerWaalsContact O-CG 3.31Å; L20-Q24 WeakPolarHBondContact O-CG 3.33Å; L20-Q24 PolarHBondContact O-N 3.29Å
21E92.7Very high93.2Very high134 Ų134102.8 Ų102.863%0.62648%0.484SS*.Hα-helixtrans-64-44.8175.7-72.7173.9-169.100111.5N17 R18 Q24 C25N17-E21 WeakPolarHBondContact O-CG 3.49Å; N17-E21 PolarHBondContact O-N 3.4Å; R18-E21 PolarHBondContact O-N 3.32Å; E21-Q24 PolarHBondContact O-N 2.95Å; E21-C25 WeakPolarHBondContact O-CB 3.5Å; E21-C25 PolarHBondContact O-N 2.85Å
22E92.8Very high92.9Very high92 Ų92103.8 Ų103.843%0.4348%0.484SS..Hα-helixtrans-61.4-43.8175.3-73178-163.400111.4R18 V19 Q24 C25 W26R18-E22 IonicContact CZ-OE1 3.78Å; R18-E22 IonicContact NE-OE1 2.69Å; R18-E22 PolarHBondContact NE-OE1 2.99Å; R18-E22 IonicContact NH2-OE1 3.47Å; R18-E22 WeakPolarHBondContact O-CG 3.4Å; R18-E22 PolarHBondContact O-N 2.95Å; V19-E22 PolarHBondContact O-N 3.11Å; E22-Q24 PolarHBondContact O-N 3.42Å; E22-C25 WeakPolarHBondContact O-CB 3.43Å; E22-C25 PolarHBondContact O-N 2.83Å; E22-W26 PolarHBondContact O-N 3.5Å
23E93.3Very high92.5Very high97 Ų97103 Ų10345%0.45348%0.481SS..Hα-helixtrans-61.2-43.8174.2-85.3-152.3166.600112.7V19 L20 C25 W26 R27V19-E23 PolarHBondContact O-N 3.35Å; L20-E23 PolarHBondContact O-N 3.45Å; E23-C25 VanDerWaalsContact C-N 3.32Å; E23-W26 PolarHBondContact O-N 3.12Å; E23-R27 WeakPolarHBondContact O-CG 3.39Å; E23-R27 PolarHBondContact O-N 2.93Å; E23-R27 IonicContact OE2-CZ 3.79Å; E23-R27 IonicContact OE2-NH2 2.77Å; E23-R27 PolarHBondContact OE2-NH2 3.02Å
24Q91.3Very high92.2Very high126 Ų126109.4 Ų109.459%0.58950%0.503SS*.Hα-helixtrans-63.8-40.4177.6-75-173.323.100111.3L20 E21 E22 R27 E28L20-Q24 WeakPolarHBondContact O-CB 3.39Å; L20-Q24 VanDerWaalsContact O-CG 3.31Å; L20-Q24 WeakPolarHBondContact O-CG 3.33Å; L20-Q24 PolarHBondContact O-N 3.29Å; E21-Q24 PolarHBondContact O-N 2.95Å; E22-Q24 PolarHBondContact O-N 3.42Å; Q24-R27 PolarHBondContact O-N 3.25Å; Q24-E28 PolarHBondContact O-N 3.37Å
25C94Very high91.6Very high70 Ų70113.1 Ų113.147%0.47351%0.508SS..Hα-helixtrans-57.6-49.7173.4-175.70000110.8E21 E22 E23 R27 E28 I29E21-C25 WeakPolarHBondContact O-CB 3.5Å; E21-C25 PolarHBondContact O-N 2.85Å; E22-C25 WeakPolarHBondContact O-CB 3.43Å; E22-C25 PolarHBondContact O-N 2.83Å; E23-C25 VanDerWaalsContact C-N 3.32Å; C25-R27 PolarHBondContact O-N 3.25Å; C25-E28 PolarHBondContact O-N 3.39Å; C25-E28 VanDerWaalsContact O-N 3.12Å; C25-I29 WeakPolarHBondContact O-CG1 3.43Å; C25-I29 PolarHBondContact O-N 3.12Å
26W94.7Very high90.7Very high160 Ų160111.8 Ų111.861%0.60650%0.502SS*.Hα-helixtrans-62.8-38.3177.2-80.8116.3000113.5E22 E23 E28 I29 K30E22-W26 PolarHBondContact O-N 3.5Å; E23-W26 PolarHBondContact O-N 3.12Å; W26-E28 VanDerWaalsContact C-N 3.31Å; W26-E28 PolarHBondContact O-N 2.84Å; W26-I29 HydrophobicContact CD2-CD1 4.45Å; W26-I29 HydrophobicContact CE3-CB 4.4Å; W26-I29 HydrophobicContact CE3-CD1 3.97Å; W26-I29 HydrophobicContact CE3-CG2 4.4Å; W26-I29 HydrophobicContact CZ3-CD1 4.17Å; W26-I29 HydrophobicContact CZ3-CG2 4.39Å; W26-I29 PolarHBondContact O-N 2.77Å; W26-K30 WeakPolarHBondContact O-CB 3.45Å; W26-K30 WeakPolarHBondContact O-CG 3.48Å; W26-K30 PolarHBondContact O-N 2.58Å
27R94.4Very high89.9Confident133 Ų133110.9 Ų110.950%0.50250%0.5SS..Hα-helixtrans-62.8-39.8173.7-71.6-179-138170.53.9111.4E23 Q24 C25 R31E23-R27 WeakPolarHBondContact O-CG 3.39Å; E23-R27 PolarHBondContact O-N 2.93Å; E23-R27 IonicContact OE2-CZ 3.79Å; E23-R27 IonicContact OE2-NH2 2.77Å; E23-R27 PolarHBondContact OE2-NH2 3.02Å; Q24-R27 PolarHBondContact O-N 3.25Å; C25-R27 PolarHBondContact O-N 3.25Å; R27-R31 WeakPolarHBondContact O-CB 3.3Å; R27-R31 PolarHBondContact O-N 2.91Å
28E92.6Very high88.7Confident47 Ų47113.8 Ų113.822%0.2251%0.511CS..Hα-helixtrans-69.2-42.4176.5179.556.4-159.800111.8Q24 C25 W26 K30 R31 R32Q24-E28 PolarHBondContact O-N 3.37Å; C25-E28 PolarHBondContact O-N 3.39Å; C25-E28 VanDerWaalsContact O-N 3.12Å; W26-E28 VanDerWaalsContact C-N 3.31Å; W26-E28 PolarHBondContact O-N 2.84Å; E28-K30 PolarHBondContact O-N 3.44Å; E28-R31 CarbonylContact O-C 3.6Å; E28-R31 WeakPolarHBondContact O-CB 3.31Å; E28-R31 PolarHBondContact O-N 2.94Å; E28-R31 VanDerWaalsContact O-N 3.11Å; E28-R31 WeakPolarHBondContact OE2-CD 3.48Å; E28-R31 IonicContact OE2-CZ 3.39Å; E28-R31 IonicContact OE2-NE 3.72Å; E28-R31 IonicContact OE2-NH1 2.58Å; E28-R31 PolarHBondContact OE2-NH1 3.44Å; E28-R32 WeakPolarHBondContact O-CG 3.49Å; E28-R32 PolarHBondContact O-N 3.24Å; E28-R32 WeakPolarHBondContact OE1-CG 3.39Å; E28-R32 IonicContact OE1-CZ 3.82Å; E28-R32 IonicContact OE1-NE 3.37Å; E28-R32 PolarHBondContact OE1-NE 3.46Å; E28-R32 IonicContact OE1-NH2 3.04Å
29I90.8Very high87.3Confident77 Ų77109.4 Ų109.440%0.39551%0.506SS..Hα-helixtrans-58.2-48.6174.1-68.1166.2000110.5C25 W26 R31 R32 H33C25-I29 WeakPolarHBondContact O-CG1 3.43Å; C25-I29 PolarHBondContact O-N 3.12Å; W26-I29 HydrophobicContact CD2-CD1 4.45Å; W26-I29 HydrophobicContact CE3-CB 4.4Å; W26-I29 HydrophobicContact CE3-CD1 3.97Å; W26-I29 HydrophobicContact CE3-CG2 4.4Å; W26-I29 HydrophobicContact CZ3-CD1 4.17Å; W26-I29 HydrophobicContact CZ3-CG2 4.39Å; W26-I29 PolarHBondContact O-N 2.77Å; I29-R31 VanDerWaalsContact C-N 3.28Å; I29-R31 PolarHBondContact O-N 3.21Å; I29-R32 PolarHBondContact O-N 2.99Å; I29-H33 WeakPolarHBondContact O-CB 3.38Å; I29-H33 PolarHBondContact O-N 3.31Å
30K91.6Very high85.6Confident156 Ų156115 Ų11568%0.67852%0.519SS*.Hα-helixtrans-60-38.4175.7-76.4-179-179.7175.40111.9W26 E28 K34W26-K30 WeakPolarHBondContact O-CB 3.45Å; W26-K30 WeakPolarHBondContact O-CG 3.48Å; W26-K30 PolarHBondContact O-N 2.58Å; E28-K30 PolarHBondContact O-N 3.44Å; K30-K34 WeakPolarHBondContact O-CB 3.5Å; K30-K34 PolarHBondContact O-N 2.95Å
31R91.4Very high83.9Confident122 Ų122119 Ų11946%0.4654%0.541SS..Hα-helixtrans-65.7-44.3177-170.8-174.3-59.3146.1-0.3111.8R27 E28 I29 K34 R35R27-R31 WeakPolarHBondContact O-CB 3.3Å; R27-R31 PolarHBondContact O-N 2.91Å; E28-R31 CarbonylContact O-C 3.6Å; E28-R31 WeakPolarHBondContact O-CB 3.31Å; E28-R31 PolarHBondContact O-N 2.94Å; E28-R31 VanDerWaalsContact O-N 3.11Å; E28-R31 WeakPolarHBondContact OE2-CD 3.48Å; E28-R31 IonicContact OE2-CZ 3.39Å; E28-R31 IonicContact OE2-NE 3.72Å; E28-R31 IonicContact OE2-NH1 2.58Å; E28-R31 PolarHBondContact OE2-NH1 3.44Å; I29-R31 VanDerWaalsContact C-N 3.28Å; I29-R31 PolarHBondContact O-N 3.21Å; R31-K34 PolarHBondContact O-N 2.74Å; R31-R35 WeakPolarHBondContact O-CG 3.32Å; R31-R35 PolarHBondContact O-N 3.24Å
32R89Confident82.3Confident162 Ų162121.8 Ų121.861%0.61155%0.546SS*.Hα-helixtrans-63.8-44.6175.3-70.6-179.5-172.4-176.90.9111.5E28 I29 K34 R35 S36E28-R32 WeakPolarHBondContact O-CG 3.49Å; E28-R32 PolarHBondContact O-N 3.24Å; E28-R32 WeakPolarHBondContact OE1-CG 3.39Å; E28-R32 IonicContact OE1-CZ 3.82Å; E28-R32 IonicContact OE1-NE 3.37Å; E28-R32 PolarHBondContact OE1-NE 3.46Å; E28-R32 IonicContact OE1-NH2 3.04Å; I29-R32 PolarHBondContact O-N 2.99Å; R32-K34 VanDerWaalsContact C-N 3.33Å; R32-K34 PolarHBondContact O-N 3.05Å; R32-R35 PolarHBondContact O-N 3.43Å; R32-R35 VanDerWaalsContact O-N 3.15Å; R32-S36 WeakPolarHBondContact O-CB 3.3Å; R32-S36 PolarHBondContact O-N 2.88Å
33H87.2Confident80.4Confident119 Ų119122.2 Ų122.255%0.55156%0.559SS**Hα-helixtrans-60.1-43.3176.6-170.674.8000111.8I29 R35 S36 N37I29-H33 WeakPolarHBondContact O-CB 3.38Å; I29-H33 PolarHBondContact O-N 3.31Å; H33-R35 PolarHBondContact O-N 3.33Å; H33-S36 PolarHBondContact O-N 3.27Å; H33-N37 PolarHBondContact CD2-ND2 2.97Å; H33-N37 VanDerWaalsContact CD2-ND2 3.34Å; H33-N37 PolarHBondContact NE2-ND2 3.29Å; H33-N37 PolarHBondContact O-N 3.49Å
34K87.5Confident78.6Confident164 Ų164123.5 Ų123.571%0.71358%0.575SS**Hα-helixtrans-61.4-42174.5-173.2176.2-179.2177.90112.5K30 R31 R32 E38K30-K34 WeakPolarHBondContact O-CB 3.5Å; K30-K34 PolarHBondContact O-N 2.95Å; R31-K34 PolarHBondContact O-N 2.74Å; R32-K34 VanDerWaalsContact C-N 3.33Å; R32-K34 PolarHBondContact O-N 3.05Å; K34-E38 PolarHBondContact O-N 2.97Å
35R80.9Confident76.7Confident158 Ų158123.5 Ų123.560%0.59658%0.575SS**Hα-helixtrans-66.9-40.3177-73.1176.1-179.5157-2112.3R31 R32 H33 E38 S39R31-R35 WeakPolarHBondContact O-CG 3.32Å; R31-R35 PolarHBondContact O-N 3.24Å; R32-R35 PolarHBondContact O-N 3.43Å; R32-R35 VanDerWaalsContact O-N 3.15Å; H33-R35 PolarHBondContact O-N 3.33Å; R35-E38 PolarHBondContact O-N 3.03Å; R35-S39 PolarHBondContact O-N 3.48Å; R35-S39 VanDerWaalsContact O-N 3.1Å
36S76.6Confident75.1Confident50 Ų50125.8 Ų125.835%0.3559%0.592SS.*Hα-helixtrans-68.1-37.1178.5179.60000112.6R32 H33 E38 S39 R40R32-S36 WeakPolarHBondContact O-CB 3.3Å; R32-S36 PolarHBondContact O-N 2.88Å; H33-S36 PolarHBondContact O-N 3.27Å; S36-E38 VanDerWaalsContact C-N 3.31Å; S36-E38 PolarHBondContact O-N 2.89Å; S36-S39 PolarHBondContact O-N 3.11Å; S36-S39 PolarHBondContact O-OG 3.43Å; S36-R40 PolarHBondContact O-N 3.32Å
37N74.5Confident73.5Confident74 Ų74123.3 Ų123.340%0.39659%0.591SS.*Hα-helixtrans-69.1-30.1174.8-75-23.1000112.7H33H33-N37 PolarHBondContact CD2-ND2 2.97Å; H33-N37 VanDerWaalsContact CD2-ND2 3.34Å; H33-N37 PolarHBondContact NE2-ND2 3.29Å; H33-N37 PolarHBondContact O-N 3.49Å
38E68.3Low71.8Confident146 Ų146120 Ų12068%0.68259%0.587SS**Hα-helixtrans-75.1-28.4174.2-168.872.6-141.800112.2K34 R35 S36K34-E38 PolarHBondContact O-N 2.97Å; R35-E38 PolarHBondContact O-N 3.03Å; S36-E38 VanDerWaalsContact C-N 3.31Å; S36-E38 PolarHBondContact O-N 2.89Å
39S61.8Low70.4Confident72 Ų72121.3 Ų121.350%0.50361%0.606SS.*Hα-helixtrans-77.6-25178.466.90000113.4R35 S36 D41 R42R35-S39 PolarHBondContact O-N 3.48Å; R35-S39 VanDerWaalsContact O-N 3.1Å; S36-S39 PolarHBondContact O-N 3.11Å; S36-S39 PolarHBondContact O-OG 3.43Å; S39-D41 PolarHBondContact O-N 3.45Å; S39-R42 PolarHBondContact O-N 3.05Å
40R59.3Low69.3Low190 Ų190124.3 Ų124.372%0.71762%0.619SS**THydrogen-bonded Turntrans-67.5-15.8179.1-79.5177.9168.6168.3-4.1114.8S36S36-R40 PolarHBondContact O-N 3.32Å
41D57.8Low68.5Low150 Ų150119.8 Ų119.880%0.80261%0.607SS**THydrogen-bonded Turntrans-91.85.5176.2-92.2-14.5000113.7S39S39-D41 PolarHBondContact O-N 3.45Å
42R58Low67.9Low193 Ų193119.4 Ų119.473%0.72861%0.61SS**SBendtrans-102.9122.3169.2-69.3-157.7177.2153.86.4110.9S39S39-R42 PolarHBondContact O-N 3.05Å
43S53.2Low67.7Low101 Ų101118.3 Ų118.371%0.70661%0.612SS**  trans-34.8142.3170.4-163.60000112.2E45S43-E45 PolarHBondContact O-N 3.44Å
44P54.8Low67.6Low123 Ų123115.5 Ų115.580%0.79961%0.609SS**  trans-58.5107.9-17525.3-35.2000110S46P44-S46 PolarHBondContact O-N 3.35Å; P44-S46 VanDerWaalsContact O-N 3.11Å
45E52.7Low67.7Low126 Ų126113.2 Ų113.259%0.58960%0.604SS**  trans-71.3101.8172.6-74.8158.6176.900106.4S43 N47 C48S43-E45 PolarHBondContact O-N 3.44Å; E45-N47 PolarHBondContact O-N 3.09Å; E45-C48 VanDerWaalsContact O-CB 3.31Å; E45-C48 WeakPolarHBondContact O-CB 3.43Å; E45-C48 PolarHBondContact O-N 3.04Å
46S60.1Low68.2Low119 Ų119109 Ų10983%0.83259%0.594SS**THydrogen-bonded Turntrans-61.76.6-18056.10000114.9P44P44-S46 PolarHBondContact O-N 3.35Å; P44-S46 VanDerWaalsContact O-N 3.11Å
47N60.1Low68.8Low107 Ų107109.1 Ų109.157%0.57260%0.597SS**THydrogen-bonded Turntrans-112.61.7172.9-72.8-34.4000113.1E45 A49 Q50 S51E45-N47 PolarHBondContact O-N 3.09Å; N47-A49 PolarHBondContact O-N 3.1Å; N47-Q50 PolarHBondContact O-N 3.41Å; N47-S51 PolarHBondContact O-N 2.89Å; N47-S51 PolarHBondContact O-OG 2.9Å
48C59.9Low69.7Low63 Ų63113.2 Ų113.243%0.42661%0.608SS.*Hα-helixtrans-58.8-45.6-174.8-169.70000112E45 Q50 S51 E52E45-C48 VanDerWaalsContact O-CB 3.31Å; E45-C48 WeakPolarHBondContact O-CB 3.43Å; E45-C48 PolarHBondContact O-N 3.04Å; C48-Q50 PolarHBondContact O-N 2.84Å; C48-S51 WeakPolarHBondContact CA-OG 3.45Å; C48-S51 PolarHBondContact O-N 3.39Å; C48-S51 PolarHBondContact O-OG 3.02Å; C48-E52 WeakPolarHBondContact O-CB 3.45Å; C48-E52 PolarHBondContact O-N 2.87Å
49A63.3Low70.8Confident76 Ų76110.5 Ų110.563%0.62860%0.596SS**Hα-helixtrans-64.5-40.6-178.200000113.2N47 E52 Q53N47-A49 PolarHBondContact O-N 3.1Å; A49-E52 PolarHBondContact O-N 3.5Å; A49-Q53 WeakPolarHBondContact O-CB 3.31Å; A49-Q53 PolarHBondContact O-N 3.06Å
50Q67.7Low72.2Confident140 Ų140114.4 Ų114.465%0.65460%0.599SS**Hα-helixtrans-68.8-38175.7-71.8-172.4-28.900111.6N47 C48 A54N47-Q50 PolarHBondContact O-N 3.41Å; C48-Q50 PolarHBondContact O-N 2.84Å; Q50-A54 WeakPolarHBondContact O-CB 3.31Å; Q50-A54 PolarHBondContact O-N 3.35Å; Q50-A54 VanDerWaalsContact O-N 3.09Å
51S75.1Confident73.8Confident61 Ų61107.7 Ų107.743%0.42759%0.585SS.*Hα-helixtrans-68.1-35.517667.10000112.7N47 C48 A54 L55N47-S51 PolarHBondContact O-N 2.89Å; N47-S51 PolarHBondContact O-OG 2.9Å; C48-S51 WeakPolarHBondContact CA-OG 3.45Å; C48-S51 PolarHBondContact O-N 3.39Å; C48-S51 PolarHBondContact O-OG 3.02Å; S51-A54 PolarHBondContact O-N 3.27Å; S51-L55 VanDerWaalsContact O-CG 3.3Å; S51-L55 WeakPolarHBondContact O-CG 3.39Å; S51-L55 PolarHBondContact O-N 3.47Å
52E78.8Confident75.4Confident113 Ų113104.9 Ų104.953%0.52857%0.569SS.*Hα-helixtrans-69.5-44.8177.4-170.1166.8-166.900110.9C48 A49 A54 L55 D56C48-E52 WeakPolarHBondContact O-CB 3.45Å; C48-E52 PolarHBondContact O-N 2.87Å; A49-E52 PolarHBondContact O-N 3.5Å; E52-A54 VanDerWaalsContact C-N 3.29Å; E52-A54 PolarHBondContact O-N 3.43Å; E52-L55 WeakPolarHBondContact O-CB 3.3Å; E52-L55 PolarHBondContact O-N 2.9Å; E52-L55 VanDerWaalsContact O-N 3.11Å; E52-D56 PolarHBondContact O-N 3.41Å
53Q84.5Confident77Confident140 Ų140102 Ų10265%0.65456%0.558SS**Hα-helixtrans-60.7-36.9174.2-169.8178.57.900112.7A49 D56 A57A49-Q53 WeakPolarHBondContact O-CB 3.31Å; A49-Q53 PolarHBondContact O-N 3.06Å; Q53-D56 PolarHBondContact O-N 3.48Å; Q53-A57 WeakPolarHBondContact O-CB 3.49Å; Q53-A57 PolarHBondContact O-N 3.01Å
54A85.8Confident78.8Confident59 Ų59101.4 Ų101.449%0.48855%0.55SS.*Hα-helixtrans-67.7-38.5175.100000112.3Q50 S51 E52 A57 Y58Q50-A54 WeakPolarHBondContact O-CB 3.31Å; Q50-A54 PolarHBondContact O-N 3.35Å; Q50-A54 VanDerWaalsContact O-N 3.09Å; S51-A54 PolarHBondContact O-N 3.27Å; E52-A54 VanDerWaalsContact C-N 3.29Å; E52-A54 PolarHBondContact O-N 3.43Å; A54-A57 PolarHBondContact O-N 3.33Å; A54-Y58 WeakPolarHBondContact O-CB 3.49Å; A54-Y58 PolarHBondContact O-N 3.47Å
55L88.6Confident80.6Confident117 Ų117101.9 Ų101.961%0.61354%0.542SS*.Hα-helixtrans-65.6-42.6173.9-71172.2000111.4S51 E52 A57 Y58 E59S51-L55 VanDerWaalsContact O-CG 3.3Å; S51-L55 WeakPolarHBondContact O-CG 3.39Å; S51-L55 PolarHBondContact O-N 3.47Å; E52-L55 WeakPolarHBondContact O-CB 3.3Å; E52-L55 PolarHBondContact O-N 2.9Å; E52-L55 VanDerWaalsContact O-N 3.11Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-A57 PolarHBondContact O-N 2.69Å; L55-Y58 PolarHBondContact O-N 3.48Å; L55-E59 WeakPolarHBondContact O-CB 3.32Å; L55-E59 PolarHBondContact O-N 3.29Å
56D91.3Very high82.4Confident70 Ų7098.3 Ų98.337%0.37453%0.534SS..Hα-helixtrans-64.1-39176.3-72.7-10000112.2E52 Q53 E59 R60E52-D56 PolarHBondContact O-N 3.41Å; Q53-D56 PolarHBondContact O-N 3.48Å; D56-E59 PolarHBondContact O-N 2.75Å; D56-R60 WeakPolarHBondContact O-CG 3.44Å; D56-R60 PolarHBondContact O-N 2.86Å; D56-R60 PolarHBondContact O-NH1 2.98Å
57A90.3Very high83.9Confident51 Ų51100.4 Ų100.442%0.42153%0.528SS..Hα-helixtrans-64-44.3174.800000111.3Q53 A54 L55 R60 A61Q53-A57 WeakPolarHBondContact O-CB 3.49Å; Q53-A57 PolarHBondContact O-N 3.01Å; A54-A57 PolarHBondContact O-N 3.33Å; L55-A57 VanDerWaalsContact C-N 3.35Å; L55-A57 PolarHBondContact O-N 2.69Å; A57-R60 PolarHBondContact O-N 3.46Å; A57-A61 WeakPolarHBondContact O-CB 3.39Å; A57-A61 PolarHBondContact O-N 3.38Å
58Y91.5Very high85.3Confident161 Ų161103.5 Ų103.563%0.63153%0.532SS*.Hα-helixtrans-63-42175.5-179.9-105.2000112A54 L55 A61 L62A54-Y58 WeakPolarHBondContact O-CB 3.49Å; A54-Y58 PolarHBondContact O-N 3.47Å; L55-Y58 PolarHBondContact O-N 3.48Å; Y58-A61 WeakPolarHBondContact O-CB 3.48Å; Y58-A61 PolarHBondContact O-N 3.47Å; Y58-L62 PolarHBondContact O-N 3.09Å
59E92.2Very high86.6Confident89 Ų89103.1 Ų103.142%0.41653%0.53SS..Hα-helixtrans-67.2-38.6178.2-158.4-163.1-167.400112L55 D56 L62 R63L55-E59 WeakPolarHBondContact O-CB 3.32Å; L55-E59 PolarHBondContact O-N 3.29Å; D56-E59 PolarHBondContact O-N 2.75Å; E59-L62 PolarHBondContact O-N 2.88Å; E59-R63 VanDerWaalsContact CD-CZ 3.4Å; E59-R63 VanDerWaalsContact CG-NH1 3.34Å; E59-R63 WeakPolarHBondContact O-CG 3.44Å; E59-R63 PolarHBondContact O-N 2.96Å; E59-R63 IonicContact OE1-CZ 3.23Å; E59-R63 IonicContact OE1-NH1 3.44Å; E59-R63 PolarHBondContact OE1-NH1 2.71Å; E59-R63 IonicContact OE1-NH2 2.77Å; E59-R63 PolarHBondContact OE1-NH2 3.23Å; E59-R63 IonicContact OE2-CZ 3.74Å; E59-R63 IonicContact OE2-NH1 2.67Å; E59-R63 PolarHBondContact OE2-NH1 2.77Å; E59-R63 IonicContact OE2-NH2 3.75Å; E59-R63 PolarHBondContact OE2-NH2 3.26Å
60R92Very high87.6Confident154 Ų154104 Ų10458%0.58153%0.527SS*.Hα-helixtrans-61.4-46.1170.7-78.7-168.3-153.885.10.1111.5D56 A57 L62 R63 T64D56-R60 WeakPolarHBondContact O-CG 3.44Å; D56-R60 PolarHBondContact O-N 2.86Å; D56-R60 PolarHBondContact O-NH1 2.98Å; A57-R60 PolarHBondContact O-N 3.46Å; R60-L62 VanDerWaalsContact C-N 3.3Å; R60-L62 PolarHBondContact O-N 3.17Å; R60-R63 PolarHBondContact O-N 2.95Å; R60-T64 WeakPolarHBondContact O-CG2 3.49Å; R60-T64 PolarHBondContact O-N 2.94Å; R60-T64 PolarHBondContact O-OG1 3.06Å
61A92.1Very high88.5Confident49 Ų49103.4 Ų103.441%0.40552%0.524SS..Hα-helixtrans-57.8-44.7178.200000111.3A57 Y58 R63 T64 E65A57-A61 WeakPolarHBondContact O-CB 3.39Å; A57-A61 PolarHBondContact O-N 3.38Å; Y58-A61 WeakPolarHBondContact O-CB 3.48Å; Y58-A61 PolarHBondContact O-N 3.47Å; A61-R63 PolarHBondContact O-N 3.46Å; A61-T64 WeakPolarHBondContact CA-OG1 3.48Å; A61-T64 PolarHBondContact O-N 2.92Å; A61-T64 PolarHBondContact O-OG1 3.02Å; A61-E65 WeakPolarHBondContact O-CB 3.49Å; A61-E65 PolarHBondContact O-N 3.43Å
62L91.9Very high88.8Confident90 Ų90105.6 Ų105.647%0.47153%0.531SS..Hα-helixtrans-61.9-41.3177.1-168.668.7000112.2Y58 E59 R60 A66Y58-L62 PolarHBondContact O-N 3.09Å; E59-L62 PolarHBondContact O-N 2.88Å; R60-L62 VanDerWaalsContact C-N 3.3Å; R60-L62 PolarHBondContact O-N 3.17Å; L62-A66 WeakPolarHBondContact O-CB 3.45Å; L62-A66 PolarHBondContact O-N 3.46Å
63R91.8Very high88.8Confident132 Ų132105.7 Ų105.750%0.49853%0.534SS..Hα-helixtrans-65-41.1174.6-72.3-173.8-175.998.50.6112.2E59 R60 A61 A66 K67E59-R63 VanDerWaalsContact CD-CZ 3.4Å; E59-R63 VanDerWaalsContact CG-NH1 3.34Å; E59-R63 WeakPolarHBondContact O-CG 3.44Å; E59-R63 PolarHBondContact O-N 2.96Å; E59-R63 IonicContact OE1-CZ 3.23Å; E59-R63 IonicContact OE1-NH1 3.44Å; E59-R63 PolarHBondContact OE1-NH1 2.71Å; E59-R63 IonicContact OE1-NH2 2.77Å; E59-R63 PolarHBondContact OE1-NH2 3.23Å; E59-R63 IonicContact OE2-CZ 3.74Å; E59-R63 IonicContact OE2-NH1 2.67Å; E59-R63 PolarHBondContact OE2-NH1 2.77Å; E59-R63 IonicContact OE2-NH2 3.75Å; E59-R63 PolarHBondContact OE2-NH2 3.26Å; R60-R63 PolarHBondContact O-N 2.95Å; A61-R63 PolarHBondContact O-N 3.46Å; R63-A66 PolarHBondContact O-N 2.95Å; R63-K67 WeakPolarHBondContact O-CG 3.33Å; R63-K67 PolarHBondContact O-N 3.27Å
64T91.1Very high88.1Confident90 Ų90103.2 Ų103.255%0.55253%0.532SS*.Hα-helixtrans-67.5-39.2178.2520000112.2R60 A61 K67 R68R60-T64 WeakPolarHBondContact O-CG2 3.49Å; R60-T64 PolarHBondContact O-N 2.94Å; R60-T64 PolarHBondContact O-OG1 3.06Å; A61-T64 WeakPolarHBondContact CA-OG1 3.48Å; A61-T64 PolarHBondContact O-N 2.92Å; A61-T64 PolarHBondContact O-OG1 3.02Å; T64-K67 PolarHBondContact O-N 2.88Å; T64-R68 WeakPolarHBondContact O-CB 3.48Å; T64-R68 PolarHBondContact O-N 2.91Å
65E91.5Very high87.1Confident132 Ų132104.9 Ų104.962%0.61754%0.537SS*.Hα-helixtrans-66.4-41.9175.5-175.2172.8-160.100111.2A61 R68 S69A61-E65 WeakPolarHBondContact O-CB 3.49Å; A61-E65 PolarHBondContact O-N 3.43Å; E65-R68 WeakPolarHBondContact O-CB 3.35Å; E65-R68 PolarHBondContact O-N 3.17Å; E65-S69 WeakPolarHBondContact O-CB 3.34Å; E65-S69 PolarHBondContact O-N 3.43Å
66A90.2Very high86Confident51 Ų51105.1 Ų105.142%0.42153%0.529SS..Hα-helixtrans-60.3-46.5173.300000111.8L62 R63 R68 S69 V70L62-A66 WeakPolarHBondContact O-CB 3.45Å; L62-A66 PolarHBondContact O-N 3.46Å; R63-A66 PolarHBondContact O-N 2.95Å; A66-R68 PolarHBondContact O-N 3.4Å; A66-S69 PolarHBondContact O-N 3.42Å; A66-S69 PolarHBondContact O-OG 3.48Å; A66-V70 WeakPolarHBondContact O-CG2 3.47Å; A66-V70 PolarHBondContact O-N 2.88Å
67K92.3Very high84.6Confident163 Ų163107.7 Ų107.771%0.70955%0.548SS*.Hα-helixtrans-58.2-47.1174.1-75.8-174.9177.4-1720111.8R63 T64 S69 V70 E71R63-K67 WeakPolarHBondContact O-CG 3.33Å; R63-K67 PolarHBondContact O-N 3.27Å; T64-K67 PolarHBondContact O-N 2.88Å; K67-S69 VanDerWaalsContact C-N 3.28Å; K67-S69 PolarHBondContact O-N 3.35Å; K67-V70 PolarHBondContact O-N 3.4Å; K67-V70 VanDerWaalsContact O-N 3.16Å; K67-E71 PolarHBondContact O-N 3.25Å
68R89.5Confident83.3Confident172 Ų172111.5 Ų111.565%0.64956%0.56SS**Hα-helixtrans-58.5-40.3176.4-171.1-172.2-177.5112.12111.6T64 E65 A66 E71 L72T64-R68 WeakPolarHBondContact O-CB 3.48Å; T64-R68 PolarHBondContact O-N 2.91Å; E65-R68 WeakPolarHBondContact O-CB 3.35Å; E65-R68 PolarHBondContact O-N 3.17Å; A66-R68 PolarHBondContact O-N 3.4Å; R68-E71 PolarHBondContact O-N 3.04Å; R68-L72 HydrophobicContact CG-CD1 4.25Å; R68-L72 WeakPolarHBondContact O-CB 3.47Å; R68-L72 VanDerWaalsContact O-CG 3.29Å; R68-L72 WeakPolarHBondContact O-CG 3.41Å; R68-L72 PolarHBondContact O-N 2.95Å
69S87.6Confident81.6Confident55 Ų55106 Ų10639%0.38555%0.545SS..Hα-helixtrans-65.6-37.917876.80000112.4E65 A66 K67 L72 L73E65-S69 WeakPolarHBondContact O-CB 3.34Å; E65-S69 PolarHBondContact O-N 3.43Å; A66-S69 PolarHBondContact O-N 3.42Å; A66-S69 PolarHBondContact O-OG 3.48Å; K67-S69 VanDerWaalsContact C-N 3.28Å; K67-S69 PolarHBondContact O-N 3.35Å; S69-L72 PolarHBondContact O-N 3.47Å; S69-L73 WeakPolarHBondContact O-CB 3.48Å; S69-L73 VanDerWaalsContact O-CG 3.23Å; S69-L73 WeakPolarHBondContact O-CG 3.38Å; S69-L73 PolarHBondContact O-N 3.37Å
70V84.8Confident79.9Confident95 Ų95105.7 Ų105.758%0.57655%0.552SS**Hα-helixtrans-66.7-42.3176.1172.80000110.8A66 K67 L73 S74A66-V70 WeakPolarHBondContact O-CG2 3.47Å; A66-V70 PolarHBondContact O-N 2.88Å; K67-V70 PolarHBondContact O-N 3.4Å; K67-V70 VanDerWaalsContact O-N 3.16Å; V70-L73 CarbonylContact O-C 3.55Å; V70-L73 WeakPolarHBondContact O-CB 3.5Å; V70-L73 PolarHBondContact O-N 2.95Å; V70-S74 PolarHBondContact O-N 2.87Å; V70-S74 PolarHBondContact O-OG 3.43Å
71E84.8Confident78.3Confident128 Ų128101.7 Ų101.760%0.59855%0.552SS**Hα-helixtrans-66.5-38.5176.9-170.3176.6-175.300112.5K67 R68 L73 S74 T75K67-E71 PolarHBondContact O-N 3.25Å; R68-E71 PolarHBondContact O-N 3.04Å; E71-L73 VanDerWaalsContact C-N 3.29Å; E71-L73 PolarHBondContact O-N 3.47Å; E71-S74 WeakPolarHBondContact CA-OG 3.23Å; E71-S74 PolarHBondContact O-N 2.72Å; E71-S74 PolarHBondContact O-OG 2.94Å; E71-T75 WeakPolarHBondContact O-CB 3.47Å; E71-T75 WeakPolarHBondContact O-CG2 3.2Å; E71-T75 PolarHBondContact O-N 3.44Å; E71-T75 PolarHBondContact O-OG1 3.15Å
72L82.7Confident76.6Confident107 Ų107103.8 Ų103.856%0.5657%0.57SS**Hα-helixtrans-64.4-34.6171.1-73.2171.6000112.2R68 S69 T75 R76R68-L72 HydrophobicContact CG-CD1 4.25Å; R68-L72 WeakPolarHBondContact O-CB 3.47Å; R68-L72 VanDerWaalsContact O-CG 3.29Å; R68-L72 WeakPolarHBondContact O-CG 3.41Å; R68-L72 PolarHBondContact O-N 2.95Å; S69-L72 PolarHBondContact O-N 3.47Å; L72-T75 WeakPolarHBondContact CA-OG1 3.44Å; L72-T75 PolarHBondContact O-OG1 3.25Å; L72-R76 PolarHBondContact O-N 3.2Å
73L78.9Confident74.6Confident114 Ų114102 Ų10260%0.59757%0.573SS**Hα-helixtrans-74.2-30.6174.6-72.5170.3000112.6S69 V70 E71S69-L73 WeakPolarHBondContact O-CB 3.48Å; S69-L73 VanDerWaalsContact O-CG 3.23Å; S69-L73 WeakPolarHBondContact O-CG 3.38Å; S69-L73 PolarHBondContact O-N 3.37Å; V70-L73 CarbonylContact O-C 3.55Å; V70-L73 WeakPolarHBondContact O-CB 3.5Å; V70-L73 PolarHBondContact O-N 2.95Å; E71-L73 VanDerWaalsContact C-N 3.29Å; E71-L73 PolarHBondContact O-N 3.47Å
74S69.1Low72.4Confident88 Ų8899.1 Ų99.162%0.61558%0.584SS**Hα-helixtrans-78.8-34.8177.867.50000112.7V70 E71 R76V70-S74 PolarHBondContact O-N 2.87Å; V70-S74 PolarHBondContact O-OG 3.43Å; E71-S74 WeakPolarHBondContact CA-OG 3.23Å; E71-S74 PolarHBondContact O-N 2.72Å; E71-S74 PolarHBondContact O-OG 2.94Å; S74-R76 PolarHBondContact O-N 3.2Å
75T64.7Low70.8Confident95 Ų95104.4 Ų104.458%0.58360%0.602SS**Hα-helixtrans-72.9-17.8173.6510000112.6E71 L72 T77E71-T75 WeakPolarHBondContact O-CB 3.47Å; E71-T75 WeakPolarHBondContact O-CG2 3.2Å; E71-T75 PolarHBondContact O-N 3.44Å; E71-T75 PolarHBondContact O-OG1 3.15Å; L72-T75 WeakPolarHBondContact CA-OG1 3.44Å; L72-T75 PolarHBondContact O-OG1 3.25Å; T75-T77 PolarHBondContact O-N 3.39Å
76R66.4Low69.5Low121 Ų121102.3 Ų102.346%0.45760%0.596SS.*SBendtrans-70.4101.7171.1-179.7170.1139.2108.2-11.9109.1L72 S74 L78L72-R76 PolarHBondContact O-N 3.2Å; S74-R76 PolarHBondContact O-N 3.2Å; R76-L78 PolarHBondContact O-N 3.49Å
77T60.6Low68.6Low125 Ų125103 Ų10377%0.76760%0.601SS**  trans-43.7104.8175.9-44.90000110.7T75T75-T77 PolarHBondContact O-N 3.39Å
78L63.2Low67.7Low130 Ų130101.4 Ų101.468%0.68159%0.594SS**PPolyproline II helixtrans-68.5137.8168.8-65.6177.3000107.3R76 S80R76-L78 PolarHBondContact O-N 3.49Å; L78-S80 PolarHBondContact O-N 2.76Å
79P57.3Low67Low47 Ų4796.7 Ų96.731%0.30558%0.579SS.*PPolyproline II helixtrans-57.2119.5170.923.6-29.5000106.9A81 F90 T93P79-A81 PolarHBondContact O-N 3.38Å; P79-F90 HydrophobicContact CB-CD2 4.08Å; P79-F90 HydrophobicContact CG-CD2 4.12Å; P79-F90 HydrophobicContact CG-CE2 4.2Å; P79-F90 VanDerWaalsContact O-CD2 3.31Å; P79-F90 WeakPolarHBondContact O-CD2 3.29Å; P79-F90 WeakPolarHBondContact O-CE2 3.38Å; P79-T93 HydrophobicContact CG-CG2 4.48Å
80S56.4Low66.4Low82 Ų8295.7 Ų95.757%0.57357%0.568SS**PPolyproline II helixtrans-73.4124.6-178.5-178.60000109.1L78 A82 G83L78-S80 PolarHBondContact O-N 2.76Å; S80-A82 PolarHBondContact O-N 3.03Å; S80-A82 PolarHBondContact OG-N 3.32Å; S80-G83 PolarHBondContact O-N 3.43Å
81A57.2Low66.1Low69 Ų6998.9 Ų98.957%0.5757%0.57SS**THydrogen-bonded Turntrans-67.2-15.1169.600000112.3P79 F90P79-A81 PolarHBondContact O-N 3.38Å; A81-F90 HydrophobicContact CB-CD1 4.03Å; A81-F90 HydrophobicContact CB-CD2 4.1Å; A81-F90 HydrophobicContact CB-CE1 3.89Å; A81-F90 HydrophobicContact CB-CE2 3.99Å; A81-F90 HydrophobicContact CB-CG 4.13Å; A81-F90 HydrophobicContact CB-CZ 3.87Å
82A57.5Low65.9Low94 Ų9497.9 Ų97.978%0.77756%0.561SS**THydrogen-bonded Turntrans-91.1-5.6-177.700000113.7S80S80-A82 PolarHBondContact O-N 3.03Å; S80-A82 PolarHBondContact OG-N 3.32Å
83G50Low65.5Low52 Ų5295 Ų9554%0.53655%0.547SS..SBendtrans-85.2113.2173.700000110.8S80S80-G83 PolarHBondContact O-N 3.43Å
84G44.9Very low65.3Low71 Ų7192.1 Ų92.173%0.73253%0.532SS*.THydrogen-bonded Turntrans-52.1155.7-165.500000117.6
85Q57.9Low65.5Low201 Ų20190.3 Ų90.394%0.93952%0.523SS*.THydrogen-bonded Turntrans97.7-19165.3-60.1-161.1-37.100120.4
86N64.1Low66Low89 Ų8993 Ų9348%0.47652%0.523SS..  trans-157.283.4173.2-143.2-28.2000116.7K88 E89 F90N86-K88 PolarHBondContact O-N 2.99Å; N86-K88 VanDerWaalsContact O-N 3.11Å; N86-K88 VanDerWaalsContact OD1-CB 3.29Å; N86-K88 WeakPolarHBondContact OD1-CB 3.44Å; N86-K88 PolarHBondContact OD1-N 3.4Å; N86-E89 HydrophobicContact CB-CB 4.11Å; N86-E89 HydrophobicContact CB-CG 4.03Å; N86-E89 PolarHBondContact O-N 3.2Å; N86-E89 VanDerWaalsContact O-N 3.09Å; N86-F90 PolarHBondContact O-N 2.83Å
87A69.8Low66.1Low65 Ų6593.2 Ų93.254%0.53752%0.523SS..Hα-helixtrans-55.9-26.617200000113.2F90 W91A87-F90 WeakPolarHBondContact O-CB 3.5Å; A87-F90 PolarHBondContact O-N 3.35Å; A87-W91 PolarHBondContact O-N 3.47Å; A87-W91 VanDerWaalsContact O-N 3.15Å
88K74.6Confident66.3Low129 Ų12991.7 Ų91.756%0.56151%0.507SS*.Hα-helixtrans-69.8-39.4177.6-163.2177.9-173.3176.90112.1N86 F90 W91 R92N86-K88 PolarHBondContact O-N 2.99Å; N86-K88 VanDerWaalsContact O-N 3.11Å; N86-K88 VanDerWaalsContact OD1-CB 3.29Å; N86-K88 WeakPolarHBondContact OD1-CB 3.44Å; N86-K88 PolarHBondContact OD1-N 3.4Å; K88-F90 VanDerWaalsContact C-N 3.35Å; K88-W91 PolarHBondContact O-N 3.09Å; K88-R92 VanDerWaalsContact CE-NH2 3.32Å; K88-R92 WeakPolarHBondContact O-CB 3.45Å; K88-R92 WeakPolarHBondContact O-CG 3.43Å; K88-R92 PolarHBondContact O-N 2.67Å
89E74Confident66.1Low73 Ų7390 Ų9034%0.34151%0.506SS..Hα-helixtrans-71.2-32.4175.5-69.1-55.6137.600112.1N86 R92 T93 R96N86-E89 HydrophobicContact CB-CB 4.11Å; N86-E89 HydrophobicContact CB-CG 4.03Å; N86-E89 PolarHBondContact O-N 3.2Å; N86-E89 VanDerWaalsContact O-N 3.09Å; E89-R92 PolarHBondContact O-N 3.28Å; E89-R92 IonicContact OE1-CZ 2.95Å; E89-R92 IonicContact OE1-NH1 3.89Å; E89-R92 PolarHBondContact OE1-NH1 3.07Å; E89-T93 VanDerWaalsContact O-CB 3.32Å; E89-T93 WeakPolarHBondContact O-CB 3.43Å; E89-T93 PolarHBondContact O-N 3.04Å; E89-T93 PolarHBondContact O-OG1 3.36Å; E89-R96 IonicContact OE2-NH2 3.98Å
90F75.9Confident66.2Low35 Ų3594.9 Ų94.915%0.15453%0.529CS..Hα-helixtrans-56.9-54.8169.8164.8-99.1000110.9P79 A81 N86 A87 K88 R92 T93 L94P79-F90 HydrophobicContact CB-CD2 4.08Å; P79-F90 HydrophobicContact CG-CD2 4.12Å; P79-F90 HydrophobicContact CG-CE2 4.2Å; P79-F90 VanDerWaalsContact O-CD2 3.31Å; P79-F90 WeakPolarHBondContact O-CD2 3.29Å; P79-F90 WeakPolarHBondContact O-CE2 3.38Å; A81-F90 HydrophobicContact CB-CD1 4.03Å; A81-F90 HydrophobicContact CB-CD2 4.1Å; A81-F90 HydrophobicContact CB-CE1 3.89Å; A81-F90 HydrophobicContact CB-CE2 3.99Å; A81-F90 HydrophobicContact CB-CG 4.13Å; A81-F90 HydrophobicContact CB-CZ 3.87Å; N86-F90 PolarHBondContact O-N 2.83Å; A87-F90 WeakPolarHBondContact O-CB 3.5Å; A87-F90 PolarHBondContact O-N 3.35Å; K88-F90 VanDerWaalsContact C-N 3.35Å; F90-R92 PolarHBondContact O-N 2.88Å; F90-T93 PolarHBondContact O-N 3.42Å; F90-L94 HydrophobicContact CE1-CD1 4.1Å; F90-L94 HydrophobicContact CE2-CD1 3.91Å; F90-L94 HydrophobicContact CZ-CD1 3.48Å; F90-L94 VanDerWaalsContact CZ-CD1 3.48Å; F90-L94 WeakPolarHBondContact O-CB 3.45Å; F90-L94 PolarHBondContact O-N 3.28Å
91W77.9Confident66.3Low161 Ų16194.9 Ų94.961%0.6153%0.525SS*.Hα-helixtrans-65.6-36179.3-71.1116.1000113.3A87 K88 L94 A95A87-W91 PolarHBondContact O-N 3.47Å; A87-W91 VanDerWaalsContact O-N 3.15Å; K88-W91 PolarHBondContact O-N 3.09Å; W91-L94 HydrophobicContact CE3-CD1 4.49Å; W91-L94 HydrophobicContact CE3-CD2 4.31Å; W91-L94 HydrophobicContact CZ3-CD1 4.32Å; W91-L94 HydrophobicContact CZ3-CD2 4.25Å; W91-L94 PolarHBondContact O-N 3.34Å; W91-A95 VanDerWaalsContact O-CB 3.22Å; W91-A95 WeakPolarHBondContact O-CB 3.22Å; W91-A95 PolarHBondContact O-N 3.46Å
92R80.8Confident66.3Low108 Ų10893.7 Ų93.741%0.40852%0.52SS..Hα-helixtrans-63.3-40.8173.8-78.5174.7173.7149.7-7.2112.5K88 E89 F90 R96K88-R92 VanDerWaalsContact CE-NH2 3.32Å; K88-R92 WeakPolarHBondContact O-CB 3.45Å; K88-R92 WeakPolarHBondContact O-CG 3.43Å; K88-R92 PolarHBondContact O-N 2.67Å; E89-R92 PolarHBondContact O-N 3.28Å; E89-R92 IonicContact OE1-CZ 2.95Å; E89-R92 IonicContact OE1-NH1 3.89Å; E89-R92 PolarHBondContact OE1-NH1 3.07Å; F90-R92 PolarHBondContact O-N 2.88Å; R92-R96 WeakPolarHBondContact O-CB 3.34Å; R92-R96 WeakPolarHBondContact O-CG 3.48Å; R92-R96 PolarHBondContact O-N 2.95Å; R92-R96 PolarHBondContact O-NE 3.38Å
93T75.4Confident66.4Low45 Ų4598.9 Ų98.928%0.27652%0.519SS..Hα-helixtrans-71.2-40.9178.6-57.40000111P79 E89 F90 R96 R97P79-T93 HydrophobicContact CG-CG2 4.48Å; E89-T93 VanDerWaalsContact O-CB 3.32Å; E89-T93 WeakPolarHBondContact O-CB 3.43Å; E89-T93 PolarHBondContact O-N 3.04Å; E89-T93 PolarHBondContact O-OG1 3.36Å; F90-T93 PolarHBondContact O-N 3.42Å; T93-R96 PolarHBondContact O-N 3.46Å; T93-R97 WeakPolarHBondContact O-CB 3.34Å; T93-R97 PolarHBondContact O-N 3.18Å
94L74.3Confident67Low54 Ų54107.2 Ų107.228%0.28354%0.535SS..Hα-helixtrans-63.7-46175.8-163.9147.4000111.2F90 W91 R97 H98F90-L94 HydrophobicContact CE1-CD1 4.1Å; F90-L94 HydrophobicContact CE2-CD1 3.91Å; F90-L94 HydrophobicContact CZ-CD1 3.48Å; F90-L94 VanDerWaalsContact CZ-CD1 3.48Å; F90-L94 WeakPolarHBondContact O-CB 3.45Å; F90-L94 PolarHBondContact O-N 3.28Å; W91-L94 HydrophobicContact CE3-CD1 4.49Å; W91-L94 HydrophobicContact CE3-CD2 4.31Å; W91-L94 HydrophobicContact CZ3-CD1 4.32Å; W91-L94 HydrophobicContact CZ3-CD2 4.25Å; W91-L94 PolarHBondContact O-N 3.34Å; L94-R97 PolarHBondContact O-N 3.16Å; L94-H98 WeakPolarHBondContact O-CB 3.46Å; L94-H98 PolarHBondContact O-CD2 3.4Å; L94-H98 VanDerWaalsContact O-CD2 3.31Å; L94-H98 PolarHBondContact O-N 3.46Å
95A73Confident67.6Low51 Ų51106.2 Ų106.242%0.42152%0.524SS..Hα-helixtrans-58.9-52175.200000111.4W91 R97 H98 C99W91-A95 VanDerWaalsContact O-CB 3.22Å; W91-A95 WeakPolarHBondContact O-CB 3.22Å; W91-A95 PolarHBondContact O-N 3.46Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.49Å; A95-H98 CarbonylContact O-C 3.54Å; A95-H98 PolarHBondContact O-N 3.21Å; A95-H98 VanDerWaalsContact O-N 3.07Å; A95-C99 PolarHBondContact O-N 2.69Å; A95-C99 PolarHBondContact O-SG 2.95Å
96R74.5Confident67.6Low151 Ų151103.9 Ų103.957%0.5751%0.513SS*.Hα-helixtrans-57.8-41178.5-76.9-178.9-73.6-154.11.3112.9E89 R92 T93 H98E89-R96 IonicContact OE2-NH2 3.98Å; R92-R96 WeakPolarHBondContact O-CB 3.34Å; R92-R96 WeakPolarHBondContact O-CG 3.48Å; R92-R96 PolarHBondContact O-N 2.95Å; R92-R96 PolarHBondContact O-NE 3.38Å; T93-R96 PolarHBondContact O-N 3.46Å; R96-H98 VanDerWaalsContact C-N 3.3Å; R96-H98 PolarHBondContact O-N 2.93Å
97R68.5Low67.5Low125 Ų125107.2 Ų107.247%0.47253%0.531SS..Hα-helixtrans-72.7-21.1178.7-76.9-165.1158.4171.43.4114.2T93 L94 A95T93-R97 WeakPolarHBondContact O-CB 3.34Å; T93-R97 PolarHBondContact O-N 3.18Å; L94-R97 PolarHBondContact O-N 3.16Å; A95-R97 VanDerWaalsContact C-N 3.31Å; A95-R97 PolarHBondContact O-N 3.49Å
98H66.1Low67Low94 Ų94105.2 Ų105.244%0.43552%0.516SS..Hα-helixtrans-101.6-11.8177.8-79.8-73.6000113.9L94 A95 R96 D100 T101L94-H98 WeakPolarHBondContact O-CB 3.46Å; L94-H98 PolarHBondContact O-CD2 3.4Å; L94-H98 VanDerWaalsContact O-CD2 3.31Å; L94-H98 PolarHBondContact O-N 3.46Å; A95-H98 CarbonylContact O-C 3.54Å; A95-H98 PolarHBondContact O-N 3.21Å; A95-H98 VanDerWaalsContact O-N 3.07Å; R96-H98 VanDerWaalsContact C-N 3.3Å; R96-H98 PolarHBondContact O-N 2.93Å; H98-D100 PolarHBondContact O-N 2.84Å; H98-T101 WeakPolarHBondContact CA-OG1 3.02Å; H98-T101 PolarHBondContact O-N 3.28Å; H98-T101 PolarHBondContact O-OG1 2.85Å
99C58.4Low66.8Low95 Ų95108.3 Ų108.364%0.64253%0.525SS*.Hα-helixtrans-57.7-34.8171.5-73.50000112A95 T101A95-C99 PolarHBondContact O-N 2.69Å; A95-C99 PolarHBondContact O-SG 2.95Å; C99-T101 VanDerWaalsContact C-N 3.33Å; C99-T101 PolarHBondContact O-N 3.49Å
100D59.1Low66.6Low149 Ų149110.3 Ų110.380%0.79754%0.538SS*.THydrogen-bonded Turntrans-77-19-178.6-61.6-23000113.4H98 G102H98-D100 PolarHBondContact O-N 2.84Å; D100-G102 PolarHBondContact O-N 2.93Å
101T58.8Low66.3Low81 Ų81115.7 Ų115.750%0.49756%0.563SS.*THydrogen-bonded Turntrans-77.22.2-177.736.40000114.5H98 C99 R103H98-T101 WeakPolarHBondContact CA-OG1 3.02Å; H98-T101 PolarHBondContact O-N 3.28Å; H98-T101 PolarHBondContact O-OG1 2.85Å; C99-T101 VanDerWaalsContact C-N 3.33Å; C99-T101 PolarHBondContact O-N 3.49Å; T101-R103 PolarHBondContact O-N 3.18Å
102G57.4Low65.9Low44 Ų44115 Ų11545%0.45457%0.571SS.*  trans60.8-10.2173.800000116.1D100 W104 G105D100-G102 PolarHBondContact O-N 2.93Å; G102-W104 VanDerWaalsContact C-N 3.25Å; G102-W104 PolarHBondContact O-N 3.44Å; G102-G105 PolarHBondContact O-N 3.17Å
103R59.2Low65.5Low203 Ų203117.4 Ų117.477%0.76659%0.587SS**THydrogen-bonded Turntrans-76.5-12-165.6-165.6173.4-170.4-89.51.5113.4T101T101-R103 PolarHBondContact O-N 3.18Å
104W63.1Low65.4Low228 Ų228122.3 Ų122.386%0.86460%0.604SS**THydrogen-bonded Turntrans-121.31.4-174.3-70.141.6000112.2G102G102-W104 VanDerWaalsContact C-N 3.25Å; G102-W104 PolarHBondContact O-N 3.44Å
105G57.3Low65.5Low49 Ų49128.3 Ų128.351%0.50563%0.631SS.*SBendtrans-122.9113.2-178.400000111.1G102 D107G102-G105 PolarHBondContact O-N 3.17Å; G105-D107 PolarHBondContact O-N 3.22Å
106H56.9Low65.3Low152 Ų152128.5 Ų128.570%0.70464%0.637SS**SBendtrans80.10.6159-104-72.1000121.2G108H106-G108 PolarHBondContact O-N 3.3Å; H106-G108 VanDerWaalsContact O-N 3.09Å
107D63.1Low65.3Low159 Ų159127.3 Ų127.385%0.8565%0.649SS**SBendtrans-81.191.5174.7-79-23.1000111.8G105G105-D107 PolarHBondContact O-N 3.22Å
108G59.6Low65.3Low23 Ų23128.2 Ų128.224%0.23766%0.662CS.*SBendtrans128.2-13.4162.700000116.5H106 D110 E111 L112H106-G108 PolarHBondContact O-N 3.3Å; H106-G108 VanDerWaalsContact O-N 3.09Å; G108-D110 VanDerWaalsContact C-N 3.33Å; G108-D110 PolarHBondContact O-N 3.47Å; G108-E111 WeakPolarHBondContact O-CA 3.31Å; G108-E111 WeakPolarHBondContact O-CB 3.32Å; G108-E111 PolarHBondContact O-N 2.73Å; G108-L112 WeakPolarHBondContact O-CD1 3.36Å; G108-L112 PolarHBondContact O-N 3.31Å
109W68.5Low65.3Low195 Ų195129.1 Ų129.174%0.73968%0.676SS**Hα-helixtrans-62.9-38.7177-92.491.4000112.7E111 L112 Q113W109-E111 PolarHBondContact O-N 3.19Å; W109-L112 PolarHBondContact O-N 3.16Å; W109-Q113 WeakPolarHBondContact O-CG 3.46Å; W109-Q113 PolarHBondContact O-N 2.89Å
110D71Confident65.3Low114 Ų114134.1 Ų134.161%0.6169%0.688SS**Hα-helixtrans-69.4-18.6173.3-78.2-19.3000113.1G108G108-D110 VanDerWaalsContact C-N 3.33Å; G108-D110 PolarHBondContact O-N 3.47Å
111E70.2Confident65Low148 Ų148137 Ų13769%0.69269%0.693SS**Hα-helixtrans-85.7-32176.7-164.9154-148.900111.6G108 W109 Q113 K114G108-E111 WeakPolarHBondContact O-CA 3.31Å; G108-E111 WeakPolarHBondContact O-CB 3.32Å; G108-E111 PolarHBondContact O-N 2.73Å; W109-E111 PolarHBondContact O-N 3.19Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 3.31Å; E111-K114 PolarHBondContact O-N 3.47Å
112L68.9Low64.6Low147 Ų147145 Ų14577%0.7771%0.714SS**Hα-helixtrans-70.5-22.5170.8-86.199.3000113.9G108 W109 K114G108-L112 WeakPolarHBondContact O-CD1 3.36Å; G108-L112 PolarHBondContact O-N 3.31Å; W109-L112 PolarHBondContact O-N 3.16Å; L112-K114 VanDerWaalsContact C-N 3.26Å; L112-K114 PolarHBondContact O-N 3.22Å
113Q72Confident64.1Low158 Ų158147.4 Ų147.474%0.73872%0.724SS**THydrogen-bonded Turntrans-77.4-8175.4-72.4-98.2-34.500113.3W109 E111W109-Q113 WeakPolarHBondContact O-CG 3.46Å; W109-Q113 PolarHBondContact O-N 2.89Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 3.31Å
114K73.6Confident63.5Low149 Ų149146 Ų14665%0.64873%0.726SS**SBendtrans-92112.3176.1-64.8173.3-170.2169.90108.4E111 L112 G116E111-K114 PolarHBondContact O-N 3.47Å; L112-K114 VanDerWaalsContact C-N 3.26Å; L112-K114 PolarHBondContact O-N 3.22Å; K114-G116 PolarHBondContact O-N 3.23Å
115E75.4Confident62.6Low180 Ų180140.4 Ų140.484%0.84172%0.722SS**PPolyproline II helixtrans-54.3119.2171.3-64.8-156.7-17600109.5
116G70.7Confident62.2Low54 Ų54146 Ų14656%0.55774%0.738SS**PPolyproline II helixtrans-60.9155.4175.400000110.8K114 I118K114-G116 PolarHBondContact O-N 3.23Å; G116-I118 PolarHBondContact O-N 3.33Å; G116-I118 VanDerWaalsContact O-N 3.1Å
117P74.2Confident61.7Low126 Ų126145.6 Ų145.682%0.81874%0.741SS**PPolyproline II helixtrans-59119.5-179.722.4-31000110.7P119P117-P119 VanDerWaalsContact O-CD 3.3Å; P117-P119 WeakPolarHBondContact O-CD 3.47Å
118I67.1Low60.8Low145 Ų145144.3 Ų144.374%0.74473%0.734SS**PPolyproline II helixtrans-55.9118.1176.7-58.3166.7000108.6G116 F120G116-I118 PolarHBondContact O-N 3.33Å; G116-I118 VanDerWaalsContact O-N 3.1Å; I118-F120 PolarHBondContact O-N 3.17Å; I118-F120 VanDerWaalsContact O-N 3.12Å
119P66.7Low60.4Low113 Ų113152.4 Ų152.473%0.73477%0.768SS**  trans-65.9115175-16.730.2000109.6P117P117-P119 VanDerWaalsContact O-CD 3.3Å; P117-P119 WeakPolarHBondContact O-CD 3.47Å
120F58.6Low59.3Low200 Ų200152.1 Ų152.188%0.87777%0.772SS**  trans14.2118.2161.1-61.7-88000118.2I118 R122I118-F120 PolarHBondContact O-N 3.17Å; I118-F120 VanDerWaalsContact O-N 3.12Å; F120-R122 PolarHBondContact O-N 3.03Å
121K53.5Low58.3Low209 Ų209151.7 Ų151.791%0.90978%0.778SS**  trans-56.8120.1164.4-62-163.8175.9-167.10110S123K121-S123 PolarHBondContact O-N 3.06Å
122R50.1Low57.1Low250 Ų250153.8 Ų153.894%0.94379%0.785SS**  trans-79.9107.4160.4-70.9-173-173.2115.5-0.6107.9F120F120-R122 PolarHBondContact O-N 3.03Å
123S46.2Very low55.9Low93 Ų93151.7 Ų151.765%0.6578%0.782SS**  trans-83.6163.4156.143.60000109.4K121K121-S123 PolarHBondContact O-N 3.06Å
124E47.8Very low54.7Low175 Ų175151 Ų15182%0.81879%0.789SS**  trans91.986.1175.1-54.9166.5-150.400112.5
125S43Very low53.4Low110 Ų110150 Ų15077%0.76980%0.796SS**  66.794.588.476.80000112.3
126I48.8Very low52.1Low167 Ų167146.7 Ų146.786%0.85679%0.789SS**  trans-141.2130.3152-94.1148.2000106.1
127D47.3Very low50.9Low143 Ų143148.9 Ų148.977%0.76580%0.796SS**  trans-56.7152.4-169.2-65.1-72.8000116.1
128D43.9Very low49.9Very low131 Ų131151 Ų15170%0.70180%0.799SS**  trans20100.7146.6-82.4-52.4000118.4
129M50.9Low49.4Very low194 Ų194149.9 Ų149.996%0.95680%0.799SS**  trans-137.196.4137.8-81.4-59.314700110.1
130K45.1Very low49.2Very low188 Ų188150.4 Ų150.482%0.81780%0.802SS**  trans-69.4117.1172.1-176.6176.5-176.3176.20109.8
131S51.4Low49.3Very low106 Ų106150.7 Ų150.774%0.74180%0.803SS**  trans165.7133.5130.644.50000115.8
132K45.2Very low49.9Very low192 Ų192148.4 Ų148.484%0.83580%0.8SS**  trans53.3100.8152.7-96.6101.1176.6-1720118.7
133S42.2Very low50.6Low102 Ų102142.3 Ų142.371%0.71379%0.793SS**  58105.48578.70000115.3
134V47.4Very low51Low145 Ų145148.1 Ų148.188%0.87980%0.802SS**  -166.7116.5127.5176.50000107.6
135T46.1Very low51.4Low128 Ų128148.7 Ų148.779%0.78581%0.805SS**  trans-120.9169.7152.648.80000106
136P48.6Very low51.4Low109 Ų109150.6 Ų150.671%0.70880%0.801SS**  cis-143.9179.712.238.3-16.4000116.7
137S44.2Very low51.3Low100 Ų100148.8 Ų148.870%0.69980%0.798SS**  trans65.4101.5146.976.90000120.2
138I55.1Low51.3Low171 Ų171147 Ų14788%0.87779%0.792SS**  trans-128.688.2151.7-58.3170.8000106.8
139T54.8Low51.4Low122 Ų122148.9 Ų148.975%0.74880%0.802SS**  trans-111118.7161460000107.5K141T139-K141 PolarHBondContact O-N 3.49Å
140P62.6Low51.1Low124 Ų124148.6 Ų148.681%0.80580%0.796SS**PPolyproline II helixtrans-68.5124.5176.427.3-31.4000109.8
141K62.1Low51.3Low206 Ų206147.3 Ų147.390%0.89680%0.797SS**PPolyproline II helixtrans-71.4123.4170.2-87.5165.1173.61640109.2T139T139-K141 PolarHBondContact O-N 3.49Å
142L64.5Low51Low161 Ų161151.2 Ų151.284%0.84380%0.8SS**PPolyproline II helixtrans-65.4142.7166.8-78.3157.3000109.8Y144L142-Y144 PolarHBondContact O-N 2.82Å
143P66.6Low50.8Low122 Ų122150.1 Ų150.179%0.79280%0.798SS**  trans-67.2115.7178.626.4-31.4000110Q145P143-Q145 PolarHBondContact O-N 3.3Å
144Y53Low50.9Low214 Ų214152.5 Ų152.584%0.83980%0.798SS**  trans-72.8111.6170.2-146.8-95.2000107.7L142 H146L142-Y144 PolarHBondContact O-N 2.82Å; Y144-H146 PolarHBondContact O-N 3.07Å
145Q56.9Low50.6Low187 Ų187153.4 Ų153.487%0.87479%0.793SS**  trans-69.4109.8168.1-82.6-168.5-42.100108.5P143P143-Q145 PolarHBondContact O-N 3.3Å
146H43.2Very low50.3Low151 Ų151151.6 Ų151.670%0.69979%0.791SS**  trans-106.595.9169.8-167.5-56.9000107.9Y144Y144-H146 PolarHBondContact O-N 3.07Å
147T47Very low50.4Low128 Ų128152.4 Ų152.479%0.78579%0.794SS**  trans-138.2109.4158.448.50000109.3
148V47Very low50.5Low106 Ų106153.4 Ų153.464%0.64280%0.795SS**  trans-30.2133.6164.9-70.40000115.1
149D46.3Very low50.2Low171 Ų171155.4 Ų155.491%0.91480%0.798SS**  trans-144.2122.9132.7-100-29.9000109.6
150K44.9Very low50.1Low187 Ų187155 Ų15581%0.81380%0.8SS**  trans-73.7143.2178.4-60.7175.9175.2-170.10108.3
151L48.9Very low49.3Very low161 Ų161158.4 Ų158.484%0.84380%0.802SS**  trans172.4124.1133.2-91.6159.9000111.7
152K44Very low48.9Very low188 Ų188157.9 Ų157.982%0.81780%0.8SS**  trans66.1105.9160.9-73.1170.4169.2177.10116
153E42Very low48.4Very low169 Ų169158.5 Ų158.579%0.7980%0.796SS**  cis47.590.843.2-142.5-168.316800112.7
154Q44.6Very low47.6Very low152 Ų152157.8 Ų157.871%0.7179%0.79SS**  173.2143.1103.1-93.8-166.4-17.300111.4
155E40.8Very low47.5Very low165 Ų165156 Ų15677%0.77179%0.786SS**  trans66.1101.9155.4-67.6-175143.700117.4
156A40.1Very low47.1Very low90 Ų90155.5 Ų155.574%0.74478%0.783SS**  53.6140.369.900000113.4
157V49.7Very low47.4Very low126 Ų126156.2 Ų156.276%0.76479%0.785SS**  trans112.1111.2161.3-171.70000114.8
158T47.4Very low47.5Very low120 Ų120158.1 Ų158.174%0.73679%0.789SS**  trans88.288.3152.862.70000120.7S160T158-S160 PolarHBondContact O-N 3.46Å
159K47.8Very low47.4Very low213 Ų213158.1 Ų158.193%0.92679%0.793SS**  trans-28120.7131.6-62.2170.5179.5170.80111.8
160S52.2Low47.2Very low115 Ų115159.3 Ų159.380%0.80479%0.794SS**  trans-127.2106.4153.552.90000109.9T158 K162T158-S160 PolarHBondContact O-N 3.46Å; S160-K162 PolarHBondContact O-N 3.05Å
161K46.9Very low47.1Very low195 Ų195156 Ų15685%0.84879%0.794SS**  trans-58.2110.3165.4-83.3167.1167.9164.20108.6
162K52.1Low47.4Very low195 Ų195157.9 Ų157.985%0.84880%0.795SS**  trans-103.693.2157.4-149.5166.9-173.6173.60109.3S160 T164S160-K162 PolarHBondContact O-N 3.05Å; K162-T164 PolarHBondContact O-N 3.36Å
163K54.1Low47.8Very low174 Ų174153.7 Ų153.776%0.75779%0.79SS**  trans-69.3101.9164.7-71.4-169.8175.4-176.60107.9K165K163-K165 PolarHBondContact O-N 3Å
164T50.3Low48.4Very low107 Ų107155.3 Ų155.366%0.65679%0.794SS**  trans-91.596.2164.1-40.50000108K162 H166K162-T164 PolarHBondContact O-N 3.36Å; T164-H166 PolarHBondContact O-N 2.83Å
165K50.4Low48.9Very low177 Ų177156.2 Ų156.277%0.7780%0.798SS**  trans-71.297.5167.2-74.9-179.4175.4175.90108.1K163K163-K165 PolarHBondContact O-N 3Å
166H48.4Very low49.6Very low175 Ų175156.8 Ų156.881%0.8180%0.798SS**  trans-90.793.5152.8-92.4-84.8000108.6T164T164-H166 PolarHBondContact O-N 2.83Å
167K49.8Very low50.1Low167 Ų167159.6 Ų159.673%0.72680%0.796SS**  trans-80.7156156.1-76.2-96-177.6177.90107.4
168L49.8Very low50.4Low167 Ų167156.7 Ų156.787%0.87479%0.785SS**  trans84.8129.1167.7-46.2164.2000113.2
169S44Very low50.8Low106 Ų106159.8 Ų159.874%0.74179%0.788SS**  cis-174.6106.9-3.550.70000107.1
170E43.8Very low51.3Low196 Ų196157.2 Ų157.292%0.91678%0.777SS**  trans-153.273.9169.8-111.4-172.6165.400110.4
171S42.9Very low51.6Low117 Ų117161.1 Ų161.182%0.81877%0.774SS**  trans-153.352.3179.4-68.30000112.9
172K53.8Low52.2Low202 Ų202160.2 Ų160.288%0.87877%0.77SS**SBendtrans-145.13.6166.9-72.3-162.8177.41700117.5
173S52.9Low52.3Low99 Ų99154.1 Ų154.169%0.69276%0.756SS**SBendtrans-91.8-33.2-174.4-179.10000115.4Q175S173-Q175 PolarHBondContact O-N 3.46Å
174K55.1Low52.5Low203 Ų203153.5 Ų153.588%0.88375%0.753SS**THydrogen-bonded Turntrans-82.8-5-170.5-69.2-177.3178.6173.50116.3
175Q55Low52.8Low171 Ų171154.6 Ų154.680%0.79976%0.755SS**THydrogen-bonded Turntrans-93.1-15.4-176.1-156.8172.5-2.800114.6S173S173-Q175 PolarHBondContact O-N 3.46Å
176K55.2Low53.1Low177 Ų177154.9 Ų154.977%0.7776%0.756SS**Hα-helixtrans-79.2-23.3-179.7-82.4-172.5176.4179.90114.4
177H50.2Low53.6Low149 Ų149154.4 Ų154.469%0.6975%0.752SS**Hα-helixtrans-82.1-24179.9-72.4-82.6000114.1
178A56Low54Low66 Ų66151.5 Ų151.555%0.54575%0.748SS.*Hα-helixtrans-72.3-33.8179.500000113.1
179K57.2Low54.2Low184 Ų184152 Ų15280%0.874%0.743SS**Hα-helixtrans-74.1-29.1179.9-130.6171.9-176.7177.90112.7
180K58.2Low54.8Low159 Ų159155.2 Ų155.269%0.69174%0.743SS**Hα-helixtrans-73.2-26.7178.1-123.1176.7-178.1178.40113.3
181R57.2Low55.3Low198 Ų198152.2 Ų152.275%0.74773%0.729SS**Hα-helixtrans-74-29.6176.7-68.1-17683.6-177.14.9113.2L185R181-L185 WeakPolarHBondContact O-CD1 3.32Å
182K59.2Low55.9Low176 Ų176155.2 Ų155.277%0.76573%0.727SS**Hα-helixtrans-75.1-26.1177.6-69-141.8176.3-175.10114.1
183A54.5Low55.9Low67 Ų67154.3 Ų154.355%0.55472%0.723SS**Hα-helixtrans-74.8-31.6175.400000113.1
184K58.7Low56.1Low160 Ų160153.5 Ų153.570%0.69672%0.715SS**Hα-helixtrans-76.5-27.8178.2-66.8-162.8175.5-171.40113.3K186 K187 V188K184-K186 PolarHBondContact O-N 2.89Å; K184-K187 PolarHBondContact O-N 3.39Å; K184-V188 WeakPolarHBondContact O-CG2 3.44Å; K184-V188 PolarHBondContact O-N 3.19Å
185L55.9Low56.2Low131 Ų131149.1 Ų149.169%0.68670%0.701SS**Hα-helixtrans-71-26.2176.4-100103.5000114.4R181R181-L185 WeakPolarHBondContact O-CD1 3.32Å
186K57.3Low56.3Low182 Ų182149.6 Ų149.679%0.79170%0.7SS**Hα-helixtrans-78.2-25.1176-72.7-165.5175.4-174.60113.5K184K184-K186 PolarHBondContact O-N 2.89Å
187K58.7Low56.3Low166 Ų166148.8 Ų148.872%0.72270%0.697SS**Hα-helixtrans-78.8-34.4175.5-77-170.5173.6-174.50113K184 K189 K190K184-K187 PolarHBondContact O-N 3.39Å; K187-K189 VanDerWaalsContact C-N 3.33Å; K187-K189 PolarHBondContact O-N 3.03Å; K187-K190 PolarHBondContact O-N 3.04Å
188V57.8Low56.7Low106 Ų106149.6 Ų149.664%0.64270%0.698SS**Hα-helixtrans-70.4-27.6179179.40000112.5K184 K190K184-V188 WeakPolarHBondContact O-CG2 3.44Å; K184-V188 PolarHBondContact O-N 3.19Å; V188-K190 VanDerWaalsContact C-N 3.33Å; V188-K190 PolarHBondContact O-N 3.34Å
189K55.7Low56.8Low177 Ų177155 Ų15577%0.7771%0.709SS**Hα-helixtrans-74.5-18179.5-147.2170.9-176.9175.90113.9K187K187-K189 VanDerWaalsContact C-N 3.33Å; K187-K189 PolarHBondContact O-N 3.03Å
190K55.1Low56.7Low174 Ų174154.3 Ų154.376%0.75771%0.706SS**Hα-helixtrans-84-31.9178.5-120.9-179.2179.7-176.40113.2K187 V188K187-K190 PolarHBondContact O-N 3.04Å; V188-K190 VanDerWaalsContact C-N 3.33Å; V188-K190 PolarHBondContact O-N 3.34Å
191H54.3Low56.6Low132 Ų132152.5 Ų152.561%0.61170%0.704SS**Hα-helixtrans-81.1-23.3-178.4-72.9-77.3000114.4K193 T194H191-K193 VanDerWaalsContact C-N 3.29Å; H191-K193 PolarHBondContact O-N 3.23Å; H191-T194 PolarHBondContact O-N 2.98Å; H191-T194 PolarHBondContact O-OG1 3.47Å; H191-T194 VanDerWaalsContact O-OG1 3.05Å
192K55.5Low56.5Low180 Ų180151.7 Ų151.778%0.78371%0.706SS**Hα-helixtrans-71.8-18.6178.4-162.9157.9-177.9171.80113.9
193K55.2Low56.3Low183 Ų183152.5 Ų152.580%0.79671%0.709SS**Hα-helixtrans-86-22.9175.5-88-171.4174.7-175.20113.7H191H191-K193 VanDerWaalsContact C-N 3.29Å; H191-K193 PolarHBondContact O-N 3.23Å
194T57.2Low56.3Low83 Ų83158.4 Ų158.451%0.50972%0.723SS.*Hα-helixtrans-84.5-31.7-179.545.10000113.1H191 K197 K198H191-T194 PolarHBondContact O-N 2.98Å; H191-T194 PolarHBondContact O-OG1 3.47Å; H191-T194 VanDerWaalsContact O-OG1 3.05Å; T194-K197 PolarHBondContact O-N 3.24Å; T194-K198 PolarHBondContact O-N 3.43Å
195D55.3Low56.2Low110 Ų110155.4 Ų155.459%0.58872%0.722SS**Hα-helixtrans-73.9-29.6178.3-85-51000114K197 K198 K199D195-K197 PolarHBondContact O-N 2.92Å; D195-K198 PolarHBondContact O-N 3.46Å; D195-K199 PolarHBondContact O-N 3.15Å
196K57.5Low56.1Low181 Ų181158.8 Ų158.879%0.78773%0.731SS**Hα-helixtrans-69.6-22.1176-133.8178.3-176.4-178.30112.7
197K56.4Low55.7Low161 Ų161156.1 Ų156.170%0.773%0.73SS**Hα-helixtrans-84.3-34.1175.7-153.6175.5-176.6-178.80112T194 D195T194-K197 PolarHBondContact O-N 3.24Å; D195-K197 PolarHBondContact O-N 2.92Å
198K57.9Low55.3Low165 Ų165154.4 Ų154.472%0.71773%0.733SS**Hα-helixtrans-71-32.4175.8-96.2-174.8174.1-177.50113.8T194 D195 K200T194-K198 PolarHBondContact O-N 3.43Å; D195-K198 PolarHBondContact O-N 3.46Å; K198-K200 PolarHBondContact O-N 2.8Å
199K57.5Low55.2Low180 Ų180159.2 Ų159.278%0.78375%0.746SS**Hα-helixtrans-76-19.9179.9-145.9173.7-175.6177.50114.1D195D195-K199 PolarHBondContact O-N 3.15Å
200K55.5Low54.7Low169 Ų169162.6 Ų162.674%0.73575%0.754SS**Hα-helixtrans-82.7-25.7176.2-115.5-175.9177.9-174.50113.7K198K198-K200 PolarHBondContact O-N 2.8Å
201N55.5Low54.5Low121 Ų121165.8 Ų165.865%0.64776%0.761SS**Hα-helixtrans-86.1-16.3-179.9-73.73.9000114.1
202K56.7Low54.6Low182 Ų182164.8 Ų164.879%0.79177%0.766SS**THydrogen-bonded Turntrans-83.4-8.8179.6-153.1170.1-178177.90114.4
203K54.3Low54.3Low192 Ų192162.2 Ų162.284%0.83577%0.768SS**THydrogen-bonded Turntrans-96.2-5.9176.3-90.1-170.2173.6-1710114.6
204K55.2Low54.4Low192 Ų192160 Ų16084%0.83577%0.77SS**SBendtrans-103.91.3-178.1-74-165.2172.9-167.90115.3
205S54.9Low53.7Low97 Ų97161.5 Ų161.568%0.67878%0.781SS**SBendtrans-113.419.8-17474.20000115
206K53.9Low53.2Low201 Ų201161.1 Ų161.187%0.87479%0.787SS**SBendtrans-113.119.3-177-139176.4-177.1-176.90114.5
207V48.9Very low52.4Low126 Ų126157.4 Ų157.476%0.76478%0.783SS**SBendtrans-131.497175.2177.20000107
208T51.9Low51.8Low130 Ų130154.8 Ų154.880%0.79879%0.785SS**  trans155.9101.9154.442.20000110.4
209K54.2Low51.1Low207 Ų207151.7 Ų151.790%0.979%0.785SS**  trans-177.769.8150.9-97.1-174.3-171.8-172.50104.8
210R45.9Very low50.2Low249 Ų249148.1 Ų148.194%0.9478%0.783SS**  38.910293.9-80.6-165.9162-152.6-4.6113.2
211R51Low49.6Very low241 Ų241146 Ų14691%0.90979%0.789SS**  trans-129.8128.3142.2-165.2175.3-174-169.20.8106.3
212P55.7Low48.9Very low110 Ų110145.4 Ų145.471%0.71479%0.794SS**  trans-83.8160-177.634.7-32.3000111.1
213P50.6Low48.5Very low126 Ų126142.2 Ų142.282%0.81880%0.795SS**  trans-92.6146.1177.536-29.3000111.6
214T56.1Low48.1Very low137 Ų137137.8 Ų137.884%0.8479%0.788SS**  trans-132.4136.6163.850.70000108.9
215P43.6Very low48Very low114 Ų114133.3 Ų133.374%0.7478%0.781SS**  trans-97.9160.2-166.238.2-33.9000114.1
216S44.6Very low47.8Very low102 Ų102134.5 Ų134.571%0.71378%0.784SS**  trans62.8115.3147.244.40000120
217S41.4Very low47.5Very low103 Ų103130 Ų13072%0.7278%0.778SS**  147.2106.9112.8-67.20000113.2
218S43.3Very low47.6Very low106 Ų106128.9 Ų128.974%0.74178%0.776SS**  trans55.9145.9135.751.90000123.8
219S42Very low47.7Very low100 Ų100127.4 Ų127.470%0.69977%0.771SS**  trans81.198154.712.90000116.5
220S39Very low47.6Very low106 Ų106122.9 Ų122.974%0.74177%0.765SS**  83.9107.27864.50000113.2
221S43.5Very low47.7Very low123 Ų123116 Ų11686%0.8676%0.755SS**  169.4143.1128.549.80000112
222S41Very low47.6Very low110 Ų110109.8 Ų109.877%0.76975%0.749SS**  trans-82.4-174-162.3-33.70000114.6
223S46.9Very low47.4Very low115 Ų115109.7 Ų109.780%0.80475%0.751SS**  trans77.7138.5157.4580000116.6
224S47.1Very low47.5Very low99 Ų99109.5 Ų109.569%0.69275%0.752SS**  cis-177.8162.95.333.80000108.8
225S51.7Low48Very low98 Ų98108.9 Ų108.969%0.68575%0.751SS**  trans67.1139.2146.9450000118.8
226T51.6Low48.5Very low122 Ų122109.5 Ų109.575%0.74876%0.755SS**  cis-178.2157.511.620.40000108.8
227S48.4Very low48.8Very low106 Ų106110.1 Ų110.174%0.74176%0.759SS**  trans63.5138.2145.254.80000119.4
228S51Low50.3Low102 Ų102111.5 Ų111.571%0.71377%0.765SS**  cis-173.7153.219.626.50000111.8
229S52.4Low51Low100 Ų100110.9 Ų110.970%0.69977%0.767SS**  trans80.6110.5135.755.70000122.9
230S53.4Low51.5Low111 Ų111112.4 Ų112.478%0.77678%0.775SS**  62.1139129.253.60000119.9
231S47.6Very low52.4Low105 Ų105113.4 Ų113.473%0.73478%0.781SS**  cis-174.8154.315.225.80000109.4
232S47.9Very low52.5Low110 Ų110113.1 Ų113.177%0.76978%0.779SS**  trans-32.8157.9162.952.60000116.1
233S51.7Low53.2Low109 Ų109113.7 Ų113.776%0.76278%0.783SS**  cis-178.8154.343.322.90000110
234S53.3Low53.1Low121 Ų121114.7 Ų114.785%0.84679%0.785SS**  trans-76.6159.9177-39.80000114.2
235P67.1Low53.3Low124 Ų124115.9 Ų115.981%0.80579%0.793SS**  trans-132.8165.6148.435-19.9000115.1
236P52.9Low53.1Low128 Ų128116.9 Ų116.983%0.83180%0.8SS**  trans-98174.3-161.738.7-33.8000115.7
237S51.5Low53.1Low114 Ų114116.9 Ų116.980%0.79781%0.805SS**PPolyproline II helixtrans-60.1153.4-176.4-47.60000116.6
238P72.2Confident52.9Low132 Ų132117.4 Ų117.486%0.85781%0.809SS**PPolyproline II helixtrans-95.7147.1171.434.8-30.8000114.7
239A59.2Low52.7Low94 Ų94118.6 Ų118.678%0.77782%0.816SS**PPolyproline II helixtrans-86.3165.8177.100000113.3
240P52.1Low52.5Low132 Ų132119.4 Ų119.486%0.85782%0.822SS**PPolyproline II helixtrans-8914118034.4-30.8000112.9
241S58.5Low51.9Low126 Ų126119.1 Ų119.188%0.88183%0.826SS**PPolyproline II helixtrans-85.5139.5178.939.90000113.1
242S44.4Very low52.1Low117 Ų117119.3 Ų119.382%0.81883%0.827SS**PPolyproline II helixtrans-87151172.845.70000111.7
243S56Low51.8Low122 Ų122119.7 Ų119.785%0.85383%0.83SS**  trans-140.3123.3157.752.60000109.9
244T45.9Very low51.8Low136 Ų136120 Ų12083%0.83483%0.832SS**  trans-72.8144.6-176.6310000112.8
245S50.9Low51.4Low125 Ų125120 Ų12087%0.87483%0.832SS**  trans-153.4114153.8-58.30000108.7
246S47.1Very low50.9Low119 Ų119122 Ų12283%0.83283%0.834SS**  trans-73134.8-177.746.20000113.3
247S50.9Low50.6Low121 Ų121118.6 Ų118.685%0.84682%0.823SS**  trans-159.2128.9142.346.30000111.2
248S45.1Very low50.2Low117 Ų117119.9 Ų119.982%0.81883%0.825SS**  trans-74.4134.8-174.947.60000113.3
249C47.7Very low48.9Very low127 Ų127120.3 Ų120.386%0.85882%0.821SS**  trans-163.1127.5139.252.20000111.4
250S47.4Very low48.8Very low118 Ų118123.4 Ų123.483%0.82582%0.824SS**  trans-43.4133.4-177.1-460000116
251A40.2Very low48.6Very low105 Ų105125.7 Ų125.787%0.86882%0.823SS**  trans-82.4121.5161.700000109.2
252S53.4Low48.7Very low109 Ų109126.1 Ų126.176%0.76282%0.815SS**  trans-110.1106.6161.4-630000107.3
253S41.4Very low49Very low118 Ų118127.2 Ų127.283%0.82581%0.807SS**  trans-63.7127.8165.945.90000109.9
254S51.6Low49.4Very low115 Ų115132.4 Ų132.480%0.80481%0.808SS**  trans-139.4109.5165-52.20000108.6
255S44.8Very low50Low121 Ų121133 Ų13385%0.84680%0.801SS**  trans-82.3126.2172.4173.20000109
256I55.5Low50.2Low166 Ų166134.7 Ų134.785%0.85180%0.795SS**  trans-167.4108.8160.5-164.187.8000106.4
257G46.8Very low50.9Low57 Ų57137.2 Ų137.259%0.58880%0.798SS**  88.989.891.600000109
258T44Very low51Low140 Ų140140 Ų14086%0.85980%0.795SS**  43129.7100.359.70000115.1
259D45Very low51.3Low142 Ų142141.1 Ų141.176%0.75980%0.797SS**  trans87105.4161.9-121.8-101.6000117.2
260D55.4Low51.4Low159 Ų159148 Ų14885%0.8581%0.812SS**  trans-15787.1147.8-93.8-49.5000107.7I262D260-I262 PolarHBondContact O-N 3.38Å
261E49.6Very low51.6Low179 Ų179149.5 Ų149.584%0.83681%0.812SS**  trans-57.1120.1154.8-94.8-158.8114.800108.8E263E261-E263 PolarHBondContact O-N 3.46Å
262I59.4Low52.2Low136 Ų136151.8 Ų151.870%0.69781%0.809SS**  trans-95.790.8168.2-61.3173.4000107.5D260 W264D260-I262 PolarHBondContact O-N 3.38Å; I262-W264 PolarHBondContact O-N 3.11Å
263E51.6Low52.1Low139 Ų139154.2 Ų154.265%0.6581%0.811SS**  trans-67.6114169.1-171-175.4179.100109.8E261 Q265E261-E263 PolarHBondContact O-N 3.46Å; E263-Q265 HydrophobicContact CG-CG 4.12Å; E263-Q265 PolarHBondContact O-N 3.23Å; E263-Q265 WeakPolarHBondContact OE1-CG 3.29Å; E263-Q265 PolarHBondContact OE1-NE2 3.47Å
264W64Low52.8Low231 Ų231156.4 Ų156.488%0.87581%0.81SS**  trans-87.393.8169.9-74.492.9000109.4I262I262-W264 PolarHBondContact O-N 3.11Å
265Q57.2Low52.8Low148 Ų148158.9 Ų158.969%0.69281%0.811SS**  trans-84.2124164.8-73.1-161.624.200111.4E263 L267E263-Q265 HydrophobicContact CG-CG 4.12Å; E263-Q265 PolarHBondContact O-N 3.23Å; E263-Q265 WeakPolarHBondContact OE1-CG 3.29Å; E263-Q265 PolarHBondContact OE1-NE2 3.47Å; Q265-L267 PolarHBondContact O-N 3.3Å
266E55.9Low53.4Low162 Ų162161.5 Ų161.576%0.75781%0.808SS**  trans-56.4123.1172.4-65.8178.8134.600112.2K268E266-K268 PolarHBondContact O-N 2.67Å
267L61.9Low53.2Low172 Ų172161.1 Ų161.190%0.90181%0.805SS**  trans-79.9101.8159.8-106.9113.1000109.6Q265 V269Q265-L267 PolarHBondContact O-N 3.3Å; L267-V269 PolarHBondContact O-N 3.09Å
268K52.6Low53.7Low178 Ų178169.2 Ų169.277%0.77482%0.822SS**  trans-67.3118.4163.6-93.5162.8174.9139.50109.9E266E266-K268 PolarHBondContact O-N 2.67Å
269V51.2Low54.5Low141 Ų141171.6 Ų171.686%0.85582%0.819SS**  trans-68.4125.8163175.60000108.7L267L267-V269 PolarHBondContact O-N 3.09Å
270K50.3Low55.4Low272 Ų272174.3 Ų174.3100%1.18382%0.824SS**  trans-118.60152.8-96.1-176.2176.4175.70107.7

Retrieved 270 of 270 residues in 283.7 ms (Link to these results)