A0A5K4EK00_SCHMA Loading...

Synaptobrevin, putative

AlphaFold DB , UniProt , Accession A0A5K4EK00, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 96 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
1M43.1Very low65.7Low233 Ų233135.1 Ų135.1100%1.14870%0.704SS**  0126.20-58.1102.2151.500106.8
2T51.9Low67.5Low122 Ų122139.1 Ų139.175%0.74870%0.703SS**  -154.212255.250.60000110.1K4T2-K4 PolarHBondContact O-N 3.07Å
3D57.6Low69.3Low157 Ų157136.9 Ų136.984%0.8469%0.693SS**  trans-56.4106.5173.4-74.1-59.2000111.5A5D3-A5 PolarHBondContact O-N 2.89Å
4K57.1Low70.8Confident209 Ų209135.7 Ų135.791%0.90968%0.684SS**  trans-75.763.5170.6-77.5-168.6178.6-177.70110.8T2T2-K4 PolarHBondContact O-N 3.07Å
5A62.6Low72.1Confident64 Ų64135.3 Ų135.353%0.52968%0.679SS.*  trans-135.621.1168.200000118.7D3 T9D3-A5 PolarHBondContact O-N 2.89Å; A5-T9 PolarHBondContact O-OG1 2.94Å
6P63.7Low73.4Confident84 Ų84131.3 Ų131.355%0.54566%0.664SS.*Hα-helixtrans-80.9-35.4173.528.3-30.8000114N10P6-N10 WeakPolarHBondContact O-CB 3.42Å; P6-N10 PolarHBondContact O-N 3.06Å
7I64.4Low74.5Confident125 Ų125129.5 Ų129.564%0.64165%0.652SS**Hα-helixtrans-73-44.5-167.7-54-73000113.2T9 N10 K11I7-T9 VanDerWaalsContact C-N 3.35Å; I7-N10 PolarHBondContact O-N 3.46Å; I7-K11 PolarHBondContact O-N 3.22Å
8K73.6Confident75.6Confident178 Ų178125.6 Ų125.677%0.77464%0.643SS**Hα-helixtrans-64.9-40.1178.2-78.7-171179.9-175.90111.5K11 R12K8-K11 PolarHBondContact O-N 2.92Å; K8-R12 PolarHBondContact O-N 3.38Å
9T79.6Confident76.6Confident89 Ų89125.2 Ų125.255%0.54664%0.638SS.*Hα-helixtrans-62.8-42.4176.9-48.10000111A5 I7 R12 L13A5-T9 PolarHBondContact O-OG1 2.94Å; I7-T9 VanDerWaalsContact C-N 3.35Å; T9-R12 PolarHBondContact O-N 2.93Å; T9-L13 WeakPolarHBondContact O-CB 3.44Å; T9-L13 PolarHBondContact O-N 2.89Å
10N82.2Confident77.5Confident84 Ų84122.6 Ų122.645%0.44963%0.628SS.*Hα-helixtrans-64-43179.4-147.5-54.5000112.5P6 I7 R12 L13 Q14P6-N10 WeakPolarHBondContact O-CB 3.42Å; P6-N10 PolarHBondContact O-N 3.06Å; I7-N10 PolarHBondContact O-N 3.46Å; N10-R12 PolarHBondContact O-N 3.49Å; N10-L13 PolarHBondContact O-N 3.47Å; N10-Q14 WeakPolarHBondContact O-CG 3.41Å; N10-Q14 PolarHBondContact O-N 3.4Å; N10-Q14 PolarHBondContact OD1-NE2 3.49Å
11K86.8Confident78.4Confident141 Ų141120.4 Ų120.461%0.61362%0.618SS**Hα-helixtrans-61.3-44.2175.1-74.3-172.1177.4-174.70112.7I7 K8 L13 Q14 Q15I7-K11 PolarHBondContact O-N 3.22Å; K8-K11 PolarHBondContact O-N 2.92Å; K11-L13 VanDerWaalsContact C-N 3.35Å; K11-Q14 PolarHBondContact O-N 2.95Å; K11-Q15 WeakPolarHBondContact O-CG 3.32Å; K11-Q15 PolarHBondContact O-N 3.48Å
12R87.9Confident81Confident183 Ų183115.1 Ų115.169%0.69159%0.59SS**Hα-helixtrans-61.9-43.9175.9-74.1-176.2175177.1-2.6111.2K8 T9 N10 Q14 Q15 T16K8-R12 PolarHBondContact O-N 3.38Å; T9-R12 PolarHBondContact O-N 2.93Å; N10-R12 PolarHBondContact O-N 3.49Å; R12-Q14 PolarHBondContact O-N 3.32Å; R12-Q15 PolarHBondContact O-N 3.24Å; R12-T16 PolarHBondContact O-N 2.92Å; R12-T16 PolarHBondContact O-OG1 3.24Å; R12-T16 VanDerWaalsContact O-OG1 3.07Å
13L89.7Confident83.1Confident111 Ų111113.2 Ų113.258%0.58158%0.579SS**Hα-helixtrans-62.2-42.7177.4-176.863.5000112.2T9 N10 K11 T16 Q17T9-L13 WeakPolarHBondContact O-CB 3.44Å; T9-L13 PolarHBondContact O-N 2.89Å; N10-L13 PolarHBondContact O-N 3.47Å; K11-L13 VanDerWaalsContact C-N 3.35Å; L13-T16 PolarHBondContact O-N 3.24Å; L13-Q17 WeakPolarHBondContact O-CB 3.47Å; L13-Q17 PolarHBondContact O-N 2.96Å
14Q90.5Very high85Confident120 Ų120108.7 Ų108.756%0.56156%0.556SS**Hα-helixtrans-62.5-41.7175.7-72.5173.428.700112.1N10 K11 R12 Q17 A18N10-Q14 WeakPolarHBondContact O-CG 3.41Å; N10-Q14 PolarHBondContact O-N 3.4Å; N10-Q14 PolarHBondContact OD1-NE2 3.49Å; K11-Q14 PolarHBondContact O-N 2.95Å; R12-Q14 PolarHBondContact O-N 3.32Å; Q14-Q17 PolarHBondContact O-N 3.41Å; Q14-A18 PolarHBondContact O-N 2.94Å
15Q91.1Very high86.9Confident130 Ų130103 Ų10361%0.60754%0.536SS*.Hα-helixtrans-62-46.2173.8-73.3175.6-29.300111.3K11 R12 Q17 A18 Q19K11-Q15 WeakPolarHBondContact O-CG 3.32Å; K11-Q15 PolarHBondContact O-N 3.48Å; R12-Q15 PolarHBondContact O-N 3.24Å; Q15-Q17 VanDerWaalsContact C-N 3.32Å; Q15-Q17 PolarHBondContact O-N 3.44Å; Q15-A18 PolarHBondContact O-N 3.29Å; Q15-Q19 WeakPolarHBondContact O-CG 3.44Å; Q15-Q19 PolarHBondContact O-N 3.33Å
16T92.4Very high88.5Confident71 Ų71104 Ų10444%0.43653%0.532SS..Hα-helixtrans-61.2-40.7175.9-58.40000111.6R12 L13 A18 Q19 V20R12-T16 PolarHBondContact O-N 2.92Å; R12-T16 PolarHBondContact O-OG1 3.24Å; R12-T16 VanDerWaalsContact O-OG1 3.07Å; L13-T16 PolarHBondContact O-N 3.24Å; T16-A18 PolarHBondContact O-N 2.91Å; T16-Q19 PolarHBondContact O-N 3.48Å; T16-V20 HydrophobicContact CG2-CG2 4.37Å; T16-V20 WeakPolarHBondContact O-CB 3.38Å; T16-V20 VanDerWaalsContact O-CG2 3.28Å; T16-V20 WeakPolarHBondContact O-CG2 3.24Å; T16-V20 PolarHBondContact O-N 3.02Å
17Q91.7Very high90.2Very high101 Ų101104.9 Ų104.947%0.47253%0.529SS..Hα-helixtrans-63.5-41.1176.3-172.362.559.600111.9L13 Q14 Q15 V20 N21L13-Q17 WeakPolarHBondContact O-CB 3.47Å; L13-Q17 PolarHBondContact O-N 2.96Å; Q14-Q17 PolarHBondContact O-N 3.41Å; Q15-Q17 VanDerWaalsContact C-N 3.32Å; Q15-Q17 PolarHBondContact O-N 3.44Å; Q17-V20 PolarHBondContact O-N 3.34Å; Q17-N21 PolarHBondContact NE2-OD1 2.83Å; Q17-N21 WeakPolarHBondContact O-CB 3.46Å; Q17-N21 PolarHBondContact O-N 3.39Å; Q17-N21 PolarHBondContact O-ND2 2.94Å; Q17-N21 PolarHBondContact O-OD1 3.49Å
18A94.3Very high91.8Very high58 Ų58106.7 Ų106.748%0.47953%0.528SS..Hα-helixtrans-63.3-43.9175.700000111.7Q14 Q15 T16 N21 E22Q14-A18 PolarHBondContact O-N 2.94Å; Q15-A18 PolarHBondContact O-N 3.29Å; T16-A18 PolarHBondContact O-N 2.91Å; A18-N21 PolarHBondContact O-N 2.9Å; A18-E22 PolarHBondContact O-N 3.35Å
19Q95Very high92.9Very high119 Ų119101.6 Ų101.656%0.55651%0.512SS*.Hα-helixtrans-63.2-42.1175.7-71.5178.9-43.800112.2Q15 T16 E22 V23Q15-Q19 WeakPolarHBondContact O-CG 3.44Å; Q15-Q19 PolarHBondContact O-N 3.33Å; T16-Q19 PolarHBondContact O-N 3.48Å; Q19-E22 PolarHBondContact O-N 3.22Å; Q19-V23 WeakPolarHBondContact O-CG2 3.35Å; Q19-V23 PolarHBondContact O-N 3.29Å
20V95.7Very high93.8Very high72 Ų72100.5 Ų100.544%0.43650%0.503SS..Hα-helixtrans-64-43.9176.31700000110.5T16 Q17 E22 V23 V24T16-V20 HydrophobicContact CG2-CG2 4.37Å; T16-V20 WeakPolarHBondContact O-CB 3.38Å; T16-V20 VanDerWaalsContact O-CG2 3.28Å; T16-V20 WeakPolarHBondContact O-CG2 3.24Å; T16-V20 PolarHBondContact O-N 3.02Å; Q17-V20 PolarHBondContact O-N 3.34Å; V20-E22 VanDerWaalsContact C-N 3.35Å; V20-E22 PolarHBondContact O-N 3.04Å; V20-V23 PolarHBondContact O-N 3.49Å; V20-V24 HydrophobicContact CG1-CG2 4.25Å; V20-V24 WeakPolarHBondContact O-CB 3.4Å; V20-V24 VanDerWaalsContact O-CG2 3.24Å; V20-V24 WeakPolarHBondContact O-CG2 3.42Å; V20-V24 PolarHBondContact O-N 3.39Å
21N95.9Very high94.6Very high77 Ų7799.9 Ų99.941%0.41250%0.502SS..Hα-helixtrans-60.7-44.5177-68.8-9000111.4Q17 A18 V23 V24 D25Q17-N21 PolarHBondContact NE2-OD1 2.83Å; Q17-N21 WeakPolarHBondContact O-CB 3.46Å; Q17-N21 PolarHBondContact O-N 3.39Å; Q17-N21 PolarHBondContact O-ND2 2.94Å; Q17-N21 PolarHBondContact O-OD1 3.49Å; A18-N21 PolarHBondContact O-N 2.9Å; N21-V23 PolarHBondContact O-N 3.07Å; N21-V24 PolarHBondContact O-N 3.29Å; N21-D25 VanDerWaalsContact O-CG 3.23Å; N21-D25 PolarHBondContact O-N 3.12Å
22E96.7Very high95.1Very high122 Ų12298.3 Ų98.357%0.5750%0.5SS*.Hα-helixtrans-58.9-47.2175.6-179.1-179.3-160.700111.9A18 Q19 V20 V24 D25 I26A18-E22 PolarHBondContact O-N 3.35Å; Q19-E22 PolarHBondContact O-N 3.22Å; V20-E22 VanDerWaalsContact C-N 3.35Å; V20-E22 PolarHBondContact O-N 3.04Å; E22-V24 VanDerWaalsContact C-N 3.34Å; E22-V24 PolarHBondContact O-N 3.05Å; E22-D25 PolarHBondContact O-N 2.84Å; E22-I26 HydrophobicContact CG-CD1 4.21Å; E22-I26 WeakPolarHBondContact O-CG1 3.3Å; E22-I26 PolarHBondContact O-N 3.29Å
23V96.5Very high95.6Very high83 Ų8395.3 Ų95.350%0.50349%0.492SS..Hα-helixtrans-65.5-38.2177.4173.90000111.5Q19 V20 N21 D25 I26 M27Q19-V23 WeakPolarHBondContact O-CG2 3.35Å; Q19-V23 PolarHBondContact O-N 3.29Å; V20-V23 PolarHBondContact O-N 3.49Å; N21-V23 PolarHBondContact O-N 3.07Å; V23-D25 VanDerWaalsContact C-N 3.31Å; V23-D25 PolarHBondContact O-N 3.3Å; V23-I26 PolarHBondContact O-N 3.39Å; V23-M27 HydrophobicContact CG1-CG 4.3Å; V23-M27 WeakPolarHBondContact O-CB 3.35Å; V23-M27 VanDerWaalsContact O-CG 3.3Å; V23-M27 WeakPolarHBondContact O-CG 3.28Å; V23-M27 PolarHBondContact O-N 3.35Å
24V97.3Very high96Very high62 Ų6294.1 Ų94.138%0.37649%0.489SS..Hα-helixtrans-60.8-43.2174.3165.80000110.4V20 N21 E22 M27 R28V20-V24 HydrophobicContact CG1-CG2 4.25Å; V20-V24 WeakPolarHBondContact O-CB 3.4Å; V20-V24 VanDerWaalsContact O-CG2 3.24Å; V20-V24 WeakPolarHBondContact O-CG2 3.42Å; V20-V24 PolarHBondContact O-N 3.39Å; N21-V24 PolarHBondContact O-N 3.29Å; E22-V24 VanDerWaalsContact C-N 3.34Å; E22-V24 PolarHBondContact O-N 3.05Å; V24-M27 PolarHBondContact O-N 3.35Å; V24-R28 WeakPolarHBondContact O-CG 3.48Å; V24-R28 PolarHBondContact O-N 3.22Å
25D97.1Very high96.4Very high89 Ų8993.4 Ų93.448%0.47649%0.489SS..Hα-helixtrans-65.4-41.5177.9-67.1-22.8000111.6N21 E22 V23 M27 R28 V29N21-D25 VanDerWaalsContact O-CG 3.23Å; N21-D25 PolarHBondContact O-N 3.12Å; E22-D25 PolarHBondContact O-N 2.84Å; V23-D25 VanDerWaalsContact C-N 3.31Å; V23-D25 PolarHBondContact O-N 3.3Å; D25-M27 VanDerWaalsContact C-N 3.33Å; D25-M27 PolarHBondContact O-N 2.9Å; D25-R28 PolarHBondContact O-N 2.84Å; D25-R28 IonicContact OD1-NE 3.79Å; D25-V29 PolarHBondContact O-N 3.47Å
26I97.4Very high96.7Very high86 Ų8693.2 Ų93.244%0.44149%0.488SS..Hα-helixtrans-60.1-43.8172-67.7165.9000110.9E22 V23 V29 N30E22-I26 HydrophobicContact CG-CD1 4.21Å; E22-I26 WeakPolarHBondContact O-CG1 3.3Å; E22-I26 PolarHBondContact O-N 3.29Å; V23-I26 PolarHBondContact O-N 3.39Å; I26-V29 PolarHBondContact O-N 2.84Å; I26-N30 VanDerWaalsContact O-CG 3.3Å; I26-N30 PolarHBondContact O-N 3.34Å
27M97.7Very high97Very high101 Ų10197.8 Ų97.850%0.49850%0.497SS..Hα-helixtrans-69.4-31.8-179-74-58.8-6700112.7V23 V24 D25 N30 V31V23-M27 HydrophobicContact CG1-CG 4.3Å; V23-M27 WeakPolarHBondContact O-CB 3.35Å; V23-M27 VanDerWaalsContact O-CG 3.3Å; V23-M27 WeakPolarHBondContact O-CG 3.28Å; V23-M27 PolarHBondContact O-N 3.35Å; V24-M27 PolarHBondContact O-N 3.35Å; D25-M27 VanDerWaalsContact C-N 3.33Å; D25-M27 PolarHBondContact O-N 2.9Å; M27-N30 PolarHBondContact O-N 3.27Å; M27-N30 HydrophobicContact SD-CB 4.44Å; M27-V31 VanDerWaalsContact O-CG2 3.28Å; M27-V31 WeakPolarHBondContact O-CG2 3.28Å; M27-V31 PolarHBondContact O-N 2.86Å
28R98.1Very high97.4Very high163 Ų16398.1 Ų98.162%0.61550%0.502SS*.Hα-helixtrans-58.4-50.2170.4-72.3177.1-159.7-120.64.8110.7V24 D25 N30 V31 D32V24-R28 WeakPolarHBondContact O-CG 3.48Å; V24-R28 PolarHBondContact O-N 3.22Å; D25-R28 PolarHBondContact O-N 2.84Å; D25-R28 IonicContact OD1-NE 3.79Å; R28-N30 VanDerWaalsContact C-N 3.28Å; R28-N30 PolarHBondContact O-N 3.46Å; R28-V31 WeakPolarHBondContact O-CB 3.31Å; R28-V31 PolarHBondContact O-N 3.33Å; R28-V31 VanDerWaalsContact O-N 3.12Å; R28-D32 PolarHBondContact O-N 2.95Å
29V97.9Very high97.5Very high71 Ų71102.6 Ų102.643%0.4351%0.511SS..Hα-helixtrans-61.5-38.7177.3176.50000111.5D25 I26 V31 D32 K33D25-V29 PolarHBondContact O-N 3.47Å; I26-V29 PolarHBondContact O-N 2.84Å; V29-V31 VanDerWaalsContact C-N 3.34Å; V29-D32 PolarHBondContact O-N 3.36Å; V29-K33 HydrophobicContact CG1-CD 4.18Å; V29-K33 VanDerWaalsContact O-CG 3.31Å; V29-K33 WeakPolarHBondContact O-CG 3.29Å; V29-K33 PolarHBondContact O-N 3.33Å
30N97.7Very high97.7Very high67 Ų67100.9 Ų100.936%0.35851%0.505SS..Hα-helixtrans-68.2-34.2176.9-70.2-16.1000112.5I26 M27 R28 K33 V34I26-N30 VanDerWaalsContact O-CG 3.3Å; I26-N30 PolarHBondContact O-N 3.34Å; M27-N30 PolarHBondContact O-N 3.27Å; M27-N30 HydrophobicContact SD-CB 4.44Å; R28-N30 VanDerWaalsContact C-N 3.28Å; R28-N30 PolarHBondContact O-N 3.46Å; N30-K33 PolarHBondContact O-N 3.31Å; N30-V34 WeakPolarHBondContact O-CB 3.48Å; N30-V34 PolarHBondContact O-N 2.98Å
31V98.5Very high97.9Very high71 Ų71101.4 Ų101.443%0.4351%0.505SS..Hα-helixtrans-63.7-45.2173.2167.90000110.3M27 R28 V29 K33 V34 L35M27-V31 VanDerWaalsContact O-CG2 3.28Å; M27-V31 WeakPolarHBondContact O-CG2 3.28Å; M27-V31 PolarHBondContact O-N 2.86Å; R28-V31 WeakPolarHBondContact O-CB 3.31Å; R28-V31 PolarHBondContact O-N 3.33Å; R28-V31 VanDerWaalsContact O-N 3.12Å; V29-V31 VanDerWaalsContact C-N 3.34Å; V31-K33 VanDerWaalsContact C-N 3.31Å; V31-K33 PolarHBondContact O-N 3.03Å; V31-V34 WeakPolarHBondContact O-CG1 3.49Å; V31-V34 PolarHBondContact O-N 2.94Å; V31-L35 HydrophobicContact CG1-CD1 4.1Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.35Å; V31-L35 PolarHBondContact O-N 3.38Å
32D98.2Very high98Very high107 Ų107101.8 Ų101.857%0.57251%0.514SS*.Hα-helixtrans-60.7-43.3176.2-63.8-28.3000111.3R28 V29 L35 E36R28-D32 PolarHBondContact O-N 2.95Å; V29-D32 PolarHBondContact O-N 3.36Å; D32-L35 PolarHBondContact O-N 3.17Å; D32-E36 PolarHBondContact O-N 3.48Å
33K98.5Very high98.1Very high121 Ų121100.3 Ų100.353%0.52651%0.507SS..Hα-helixtrans-64.4-39.2176.4-72.6172.6-179.7173.20113.3V29 N30 V31 L35 E36 R37V29-K33 HydrophobicContact CG1-CD 4.18Å; V29-K33 VanDerWaalsContact O-CG 3.31Å; V29-K33 WeakPolarHBondContact O-CG 3.29Å; V29-K33 PolarHBondContact O-N 3.33Å; N30-K33 PolarHBondContact O-N 3.31Å; V31-K33 VanDerWaalsContact C-N 3.31Å; V31-K33 PolarHBondContact O-N 3.03Å; K33-L35 VanDerWaalsContact C-N 3.34Å; K33-E36 PolarHBondContact O-N 3.38Å; K33-R37 WeakPolarHBondContact O-CB 3.34Å; K33-R37 PolarHBondContact O-N 2.83Å
34V98.3Very high98.2Very high85 Ų85101.4 Ų101.452%0.51551%0.509SS..Hα-helixtrans-71.3-32.9179.880.60000111.1N30 V31 R37 D38N30-V34 WeakPolarHBondContact O-CB 3.48Å; N30-V34 PolarHBondContact O-N 2.98Å; V31-V34 WeakPolarHBondContact O-CG1 3.49Å; V31-V34 PolarHBondContact O-N 2.94Å; V34-R37 PolarHBondContact O-N 3.03Å; V34-D38 WeakPolarHBondContact O-CB 3.32Å; V34-D38 PolarHBondContact O-N 2.88Å
35L98.2Very high98.2Very high106 Ų106103.3 Ų103.356%0.55552%0.518SS*.Hα-helixtrans-68-41.4173.4-68.5173000112V31 D32 K33 R37 D38 K39V31-L35 HydrophobicContact CG1-CD1 4.1Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.35Å; V31-L35 PolarHBondContact O-N 3.38Å; D32-L35 PolarHBondContact O-N 3.17Å; K33-L35 VanDerWaalsContact C-N 3.34Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-D38 PolarHBondContact O-N 3.25Å; L35-K39 PolarHBondContact O-N 3.41Å
36E98.4Very high98.3Very high125 Ų125101.1 Ų101.158%0.58452%0.516SS*.Hα-helixtrans-63.3-41.3172.5-174.4178.8-163.800111.4D32 K33 D38 K39 N40D32-E36 PolarHBondContact O-N 3.48Å; K33-E36 PolarHBondContact O-N 3.38Å; E36-D38 VanDerWaalsContact C-N 3.34Å; E36-D38 PolarHBondContact O-N 3.4Å; E36-K39 PolarHBondContact O-N 3.01Å; E36-N40 VanDerWaalsContact O-CG 3.32Å; E36-N40 PolarHBondContact O-N 2.92Å; E36-N40 PolarHBondContact O-ND2 3.03Å
37R98.5Very high98.3Very high167 Ų167104.6 Ų104.663%0.6352%0.523SS*.Hα-helixtrans-61.2-41.8175-176.3179.2178.8140.71111.9K33 V34 L35 N40 L41K33-R37 WeakPolarHBondContact O-CB 3.34Å; K33-R37 PolarHBondContact O-N 2.83Å; V34-R37 PolarHBondContact O-N 3.03Å; L35-R37 VanDerWaalsContact C-N 3.32Å; R37-N40 PolarHBondContact O-N 3.48Å; R37-L41 HydrophobicContact CG-CD1 3.97Å; R37-L41 HydrophobicContact CG-CG 4.2Å; R37-L41 WeakPolarHBondContact O-CB 3.49Å; R37-L41 VanDerWaalsContact O-CG 3.28Å; R37-L41 WeakPolarHBondContact O-CG 3.38Å; R37-L41 PolarHBondContact O-N 3.13Å
38D98.5Very high98.3Very high109 Ų109102 Ų10258%0.58352%0.518SS*.Hα-helixtrans-59.3-46.9177.7-174.470.6000111.4V34 L35 E36 N40 L41 S42V34-D38 WeakPolarHBondContact O-CB 3.32Å; V34-D38 PolarHBondContact O-N 2.88Å; L35-D38 PolarHBondContact O-N 3.25Å; E36-D38 VanDerWaalsContact C-N 3.34Å; E36-D38 PolarHBondContact O-N 3.4Å; D38-N40 PolarHBondContact O-N 3.22Å; D38-L41 PolarHBondContact O-N 2.63Å; D38-S42 PolarHBondContact O-N 3.34Å
39K98.3Very high98.4Very high152 Ų15298.9 Ų98.966%0.66151%0.513SS*.Hα-helixtrans-58.5-47.5174.2-177.9179.6177.1177.60112.4L35 E36 L41 S42 E43L35-K39 PolarHBondContact O-N 3.41Å; E36-K39 PolarHBondContact O-N 3.01Å; K39-L41 VanDerWaalsContact C-N 3.31Å; K39-L41 PolarHBondContact O-N 3.29Å; K39-S42 PolarHBondContact O-N 2.88Å; K39-E43 PolarHBondContact O-N 3.23Å
40N98.5Very high98.4Very high82 Ų8298.6 Ų98.644%0.43952%0.519SS..Hα-helixtrans-65.1-35.8179.4-69.7-20.6000112E36 R37 D38 L44E36-N40 VanDerWaalsContact O-CG 3.32Å; E36-N40 PolarHBondContact O-N 2.92Å; E36-N40 PolarHBondContact O-ND2 3.03Å; R37-N40 PolarHBondContact O-N 3.48Å; D38-N40 PolarHBondContact O-N 3.22Å; N40-L44 VanDerWaalsContact O-CB 3.26Å; N40-L44 WeakPolarHBondContact O-CB 3.29Å; N40-L44 PolarHBondContact O-N 2.98Å
41L98.7Very high98.4Very high84 Ų84101.5 Ų101.544%0.4453%0.533SS..Hα-helixtrans-69.2-41.4175.7-75.3175.7000111.6R37 D38 K39 E43 L44 D45R37-L41 HydrophobicContact CG-CD1 3.97Å; R37-L41 HydrophobicContact CG-CG 4.2Å; R37-L41 WeakPolarHBondContact O-CB 3.49Å; R37-L41 VanDerWaalsContact O-CG 3.28Å; R37-L41 WeakPolarHBondContact O-CG 3.38Å; R37-L41 PolarHBondContact O-N 3.13Å; D38-L41 PolarHBondContact O-N 2.63Å; K39-L41 VanDerWaalsContact C-N 3.31Å; K39-L41 PolarHBondContact O-N 3.29Å; L41-E43 VanDerWaalsContact C-N 3.34Å; L41-E43 PolarHBondContact O-N 3.44Å; L41-L44 PolarHBondContact O-N 2.84Å; L41-D45 VanDerWaalsContact O-CB 3.3Å; L41-D45 WeakPolarHBondContact O-CB 3.43Å; L41-D45 PolarHBondContact O-N 3.47Å
42S98.4Very high98.4Very high84 Ų84104.8 Ų104.859%0.58754%0.544SS*.Hα-helixtrans-62.6-40.7175.2179.70000112D38 K39 G46D38-S42 PolarHBondContact O-N 3.34Å; K39-S42 PolarHBondContact O-N 2.88Å; S42-G46 PolarHBondContact O-N 3.46Å; S42-G46 VanDerWaalsContact O-N 3.13Å
43E98.4Very high98.4Very high91 Ų91102.7 Ų102.743%0.42554%0.542SS..Hα-helixtrans-65.7-42.3172.9-175.9177.8-179.400111.9K39 L41 D45 G46 R47K39-E43 PolarHBondContact O-N 3.23Å; L41-E43 VanDerWaalsContact C-N 3.34Å; L41-E43 PolarHBondContact O-N 3.44Å; E43-D45 VanDerWaalsContact C-N 3.34Å; E43-G46 PolarHBondContact O-N 2.9Å; E43-R47 WeakPolarHBondContact O-CB 3.26Å; E43-R47 VanDerWaalsContact O-CG 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.29Å; E43-R47 PolarHBondContact O-N 3.47Å; E43-R47 IonicContact OE1-CZ 3.2Å; E43-R47 IonicContact OE1-NE 3.22Å; E43-R47 PolarHBondContact OE1-NE 3.22Å; E43-R47 IonicContact OE1-NH2 2.63Å; E43-R47 PolarHBondContact OE1-NH2 2.91Å
44L98.6Very high98.4Very high106 Ų10698.6 Ų98.656%0.55553%0.534SS*.Hα-helixtrans-63.7-39.9177.7-177.662.5000112N40 L41 R47 A48N40-L44 VanDerWaalsContact O-CB 3.26Å; N40-L44 WeakPolarHBondContact O-CB 3.29Å; N40-L44 PolarHBondContact O-N 2.98Å; L41-L44 PolarHBondContact O-N 2.84Å; L44-R47 CarbonylContact O-C 3.59Å; L44-R47 PolarHBondContact O-N 3.28Å; L44-A48 WeakPolarHBondContact O-CB 3.28Å; L44-A48 PolarHBondContact O-N 2.79Å
45D98.4Very high98.4Very high103 Ų10397.1 Ų97.155%0.55153%0.531SS*.Hα-helixtrans-61.5-49.8176.9-168.961.1000110.7L41 E43 R47 A48 D49L41-D45 VanDerWaalsContact O-CB 3.3Å; L41-D45 WeakPolarHBondContact O-CB 3.43Å; L41-D45 PolarHBondContact O-N 3.47Å; E43-D45 VanDerWaalsContact C-N 3.34Å; D45-R47 VanDerWaalsContact C-N 3.3Å; D45-R47 PolarHBondContact O-N 3.04Å; D45-A48 WeakPolarHBondContact O-CB 3.3Å; D45-A48 PolarHBondContact O-N 2.93Å; D45-D49 PolarHBondContact O-N 3.3Å
46G98Very high98.5Very high42 Ų4295.4 Ų95.443%0.43353%0.528SS..Hα-helixtrans-60.7-36.7174.400000113.4S42 E43 A50S42-G46 PolarHBondContact O-N 3.46Å; S42-G46 VanDerWaalsContact O-N 3.13Å; E43-G46 PolarHBondContact O-N 2.9Å; G46-A50 WeakPolarHBondContact O-CB 3.45Å; G46-A50 PolarHBondContact O-N 3.47Å; G46-A50 VanDerWaalsContact O-N 3.15Å
47R98.5Very high98.5Very high159 Ų15996.3 Ų96.360%0.653%0.532SS*.Hα-helixtrans-68.9-36.9173.3-72.4174.9179.8-157.72.1112.2E43 L44 D45 A50 L51E43-R47 WeakPolarHBondContact O-CB 3.26Å; E43-R47 VanDerWaalsContact O-CG 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.29Å; E43-R47 PolarHBondContact O-N 3.47Å; E43-R47 IonicContact OE1-CZ 3.2Å; E43-R47 IonicContact OE1-NE 3.22Å; E43-R47 PolarHBondContact OE1-NE 3.22Å; E43-R47 IonicContact OE1-NH2 2.63Å; E43-R47 PolarHBondContact OE1-NH2 2.91Å; L44-R47 CarbonylContact O-C 3.59Å; L44-R47 PolarHBondContact O-N 3.28Å; D45-R47 VanDerWaalsContact C-N 3.3Å; D45-R47 PolarHBondContact O-N 3.04Å; R47-A50 PolarHBondContact O-N 3.15Å; R47-L51 VanDerWaalsContact O-CB 3.29Å; R47-L51 WeakPolarHBondContact O-CB 3.49Å; R47-L51 PolarHBondContact O-N 2.79Å
48A98.7Very high98.4Very high47 Ų4795.7 Ų95.739%0.38853%0.534SS..Hα-helixtrans-66.6-42.7178.300000111L44 D45 L51 Q52L44-A48 WeakPolarHBondContact O-CB 3.28Å; L44-A48 PolarHBondContact O-N 2.79Å; D45-A48 WeakPolarHBondContact O-CB 3.3Å; D45-A48 PolarHBondContact O-N 2.93Å; A48-L51 PolarHBondContact O-N 2.93Å; A48-Q52 WeakPolarHBondContact O-CB 3.33Å; A48-Q52 PolarHBondContact O-N 3.29Å
49D98.5Very high98.4Very high97 Ų9797.3 Ų97.352%0.51954%0.538SS..Hα-helixtrans-60.1-47.8173.4-82-14.1000111.8D45 L51 Q52 A53D45-D49 PolarHBondContact O-N 3.3Å; D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 PolarHBondContact O-N 3.34Å; D49-Q52 PolarHBondContact O-N 2.83Å; D49-A53 WeakPolarHBondContact O-CB 3.27Å; D49-A53 PolarHBondContact O-N 3.27Å
50A98.4Very high98.4Very high65 Ų6593 Ų9354%0.53753%0.531SS..Hα-helixtrans-61-41.1176.700000111.8G46 R47 G54G46-A50 WeakPolarHBondContact O-CB 3.45Å; G46-A50 PolarHBondContact O-N 3.47Å; G46-A50 VanDerWaalsContact O-N 3.15Å; R47-A50 PolarHBondContact O-N 3.15Å; A50-G54 PolarHBondContact O-N 2.8Å
51L98.6Very high98.4Very high128 Ų12892.4 Ų92.467%0.6753%0.533SS*.Hα-helixtrans-65.2-44.1176.5179.662.7000111.7R47 A48 D49 G54 A55R47-L51 VanDerWaalsContact O-CB 3.29Å; R47-L51 WeakPolarHBondContact O-CB 3.49Å; R47-L51 PolarHBondContact O-N 2.79Å; A48-L51 PolarHBondContact O-N 2.93Å; D49-L51 VanDerWaalsContact C-N 3.31Å; D49-L51 PolarHBondContact O-N 3.34Å; L51-G54 PolarHBondContact O-N 3Å; L51-A55 VanDerWaalsContact O-CB 3.27Å; L51-A55 WeakPolarHBondContact O-CB 3.4Å; L51-A55 PolarHBondContact O-N 2.93Å
52Q98.6Very high98.4Very high140 Ų14090.3 Ų90.365%0.65453%0.528SS*.Hα-helixtrans-62.2-45.5177.9179175.4-2800111.2A48 D49 A55 S56A48-Q52 WeakPolarHBondContact O-CB 3.33Å; A48-Q52 PolarHBondContact O-N 3.29Å; D49-Q52 PolarHBondContact O-N 2.83Å; Q52-A55 PolarHBondContact O-N 3.41Å; Q52-S56 WeakPolarHBondContact O-CB 3.37Å; Q52-S56 PolarHBondContact O-N 3.39Å
53A98.3Very high98.4Very high63 Ų6387.2 Ų87.252%0.52151%0.51SS..Hα-helixtrans-61.4-45.5175.800000111.6D49 S56 Q57D49-A53 WeakPolarHBondContact O-CB 3.27Å; D49-A53 PolarHBondContact O-N 3.27Å; A53-S56 PolarHBondContact O-N 2.93Å; A53-Q57 PolarHBondContact O-N 2.9Å
54G98.3Very high98.4Very high36 Ų3690 Ų9037%0.37152%0.52SS..Hα-helixtrans-61.3-42.6175.600000112.9A50 L51 Q57 F58A50-G54 PolarHBondContact O-N 2.8Å; L51-G54 PolarHBondContact O-N 3Å; G54-Q57 PolarHBondContact O-N 3.01Å; G54-F58 WeakPolarHBondContact O-CB 3.46Å; G54-F58 PolarHBondContact O-N 3.37Å
55A98.6Very high98.4Very high53 Ų5389.4 Ų89.444%0.43852%0.517SS..Hα-helixtrans-64.3-43.4177.200000111.9L51 Q52 F58 E59L51-A55 VanDerWaalsContact O-CB 3.27Å; L51-A55 WeakPolarHBondContact O-CB 3.4Å; L51-A55 PolarHBondContact O-N 2.93Å; Q52-A55 PolarHBondContact O-N 3.41Å; A55-F58 PolarHBondContact O-N 3Å; A55-E59 WeakPolarHBondContact O-CB 3.47Å; A55-E59 PolarHBondContact O-N 3.41Å
56S98.4Very high98.4Very high71 Ų7192.4 Ų92.450%0.49753%0.525SS..Hα-helixtrans-63-43.1176.2-175.20000111.9Q52 A53 F58 E59 A60Q52-S56 WeakPolarHBondContact O-CB 3.37Å; Q52-S56 PolarHBondContact O-N 3.39Å; A53-S56 PolarHBondContact O-N 2.93Å; S56-F58 VanDerWaalsContact C-N 3.34Å; S56-F58 PolarHBondContact O-N 3.35Å; S56-E59 PolarHBondContact O-N 2.8Å; S56-A60 WeakPolarHBondContact O-CB 3.42Å; S56-A60 PolarHBondContact O-N 3.29Å
57Q98.4Very high98.4Very high144 Ų14497.3 Ų97.367%0.67353%0.531SS*.Hα-helixtrans-64.2-40.3175.6-173.1177.454.300112A53 G54 S61A53-Q57 PolarHBondContact O-N 2.9Å; G54-Q57 PolarHBondContact O-N 3.01Å; Q57-S61 VanDerWaalsContact O-CB 3.31Å; Q57-S61 WeakPolarHBondContact O-CB 3.31Å; Q57-S61 PolarHBondContact O-N 2.86Å; Q57-S61 PolarHBondContact O-OG 2.78Å
58F98.1Very high98.4Very high154 Ų15495.6 Ų95.668%0.67553%0.528SS*.Hα-helixtrans-62.9-47.5175.2177.1-98.4000111.4G54 A55 S56 A60 S61 A62G54-F58 WeakPolarHBondContact O-CB 3.46Å; G54-F58 PolarHBondContact O-N 3.37Å; A55-F58 PolarHBondContact O-N 3Å; S56-F58 VanDerWaalsContact C-N 3.34Å; S56-F58 PolarHBondContact O-N 3.35Å; F58-A60 PolarHBondContact O-N 3.48Å; F58-S61 PolarHBondContact O-N 2.86Å; F58-A62 HydrophobicContact CE1-CB 4.48Å; F58-A62 VanDerWaalsContact O-CB 3.29Å; F58-A62 WeakPolarHBondContact O-CB 3.48Å; F58-A62 PolarHBondContact O-N 3.37Å
59E98.4Very high98.4Very high143 Ų14398.3 Ų98.367%0.66853%0.531SS*.Hα-helixtrans-57.5-48.7177.2-175.1-171-170.900111.4A55 S56 S61 A62 G63A55-E59 WeakPolarHBondContact O-CB 3.47Å; A55-E59 PolarHBondContact O-N 3.41Å; S56-E59 PolarHBondContact O-N 2.8Å; E59-S61 VanDerWaalsContact C-N 3.3Å; E59-S61 PolarHBondContact O-N 3.5Å; E59-A62 PolarHBondContact O-N 3.21Å; E59-G63 PolarHBondContact O-N 2.84Å
60A98.4Very high98.3Very high62 Ų62100.7 Ų100.751%0.51253%0.533SS..Hα-helixtrans-59.8-42.5178.200000111.8S56 F58 G63 K64S56-A60 WeakPolarHBondContact O-CB 3.42Å; S56-A60 PolarHBondContact O-N 3.29Å; F58-A60 PolarHBondContact O-N 3.48Å; A60-G63 PolarHBondContact O-N 3.26Å; A60-K64 PolarHBondContact O-N 3.24Å
61S98.1Very high98.3Very high68 Ų68104.5 Ų104.548%0.47653%0.533SS..Hα-helixtrans-68.2-44.4179-61.40000112.1Q57 F58 E59 G63 K64 L65Q57-S61 VanDerWaalsContact O-CB 3.31Å; Q57-S61 WeakPolarHBondContact O-CB 3.31Å; Q57-S61 PolarHBondContact O-N 2.86Å; Q57-S61 PolarHBondContact O-OG 2.78Å; F58-S61 PolarHBondContact O-N 2.86Å; E59-S61 VanDerWaalsContact C-N 3.3Å; E59-S61 PolarHBondContact O-N 3.5Å; S61-G63 VanDerWaalsContact C-N 3.35Å; S61-G63 PolarHBondContact O-N 3.49Å; S61-K64 PolarHBondContact O-N 2.85Å; S61-L65 WeakPolarHBondContact O-CB 3.29Å; S61-L65 PolarHBondContact O-N 3.35Å
62A98.5Very high98.3Very high40 Ų40103.6 Ų103.633%0.33152%0.524SS..Hα-helixtrans-62.1-42175.200000111.2F58 E59 K64 L65 K66F58-A62 HydrophobicContact CE1-CB 4.48Å; F58-A62 VanDerWaalsContact O-CB 3.29Å; F58-A62 WeakPolarHBondContact O-CB 3.48Å; F58-A62 PolarHBondContact O-N 3.37Å; E59-A62 PolarHBondContact O-N 3.21Å; A62-K64 PolarHBondContact O-N 3.05Å; A62-L65 PolarHBondContact O-N 2.99Å; A62-K66 WeakPolarHBondContact O-CB 3.39Å; A62-K66 PolarHBondContact O-N 3.45Å
63G98.3Very high98.3Very high20 Ų20102.1 Ų102.121%0.20652%0.52CS..Hα-helixtrans-60.3-44.3173.500000112.4E59 A60 S61 K66 R67E59-G63 PolarHBondContact O-N 2.84Å; A60-G63 PolarHBondContact O-N 3.26Å; S61-G63 VanDerWaalsContact C-N 3.35Å; S61-G63 PolarHBondContact O-N 3.49Å; G63-K66 PolarHBondContact O-N 2.94Å; G63-R67 WeakPolarHBondContact O-CG 3.45Å; G63-R67 PolarHBondContact O-N 3.43Å; G63-R67 PolarHBondContact O-NH1 3.49Å
64K98.2Very high98.2Very high149 Ų149101.5 Ų101.565%0.64851%0.511SS*.Hα-helixtrans-63.3-42.2174.9-174.3177.6-179.4177.80111.7A60 S61 A62 R67 K68A60-K64 PolarHBondContact O-N 3.24Å; S61-K64 PolarHBondContact O-N 2.85Å; A62-K64 PolarHBondContact O-N 3.05Å; K64-R67 PolarHBondContact O-N 3.49Å; K64-K68 WeakPolarHBondContact O-CB 3.4Å; K64-K68 PolarHBondContact O-N 3.33Å
65L98.4Very high98.2Very high94 Ų94107 Ų10749%0.49253%0.525SS..Hα-helixtrans-63-48.3177.7-17064000111.3S61 A62 R67 K68 F69S61-L65 WeakPolarHBondContact O-CB 3.29Å; S61-L65 PolarHBondContact O-N 3.35Å; A62-L65 PolarHBondContact O-N 2.99Å; L65-R67 VanDerWaalsContact C-N 3.34Å; L65-R67 PolarHBondContact O-N 3.35Å; L65-K68 WeakPolarHBondContact O-CB 3.32Å; L65-K68 PolarHBondContact O-N 3.08Å; L65-K68 VanDerWaalsContact O-N 3.14Å; L65-F69 HydrophobicContact CD1-CD2 3.88Å; L65-F69 HydrophobicContact CD1-CE2 3.6Å; L65-F69 HydrophobicContact CG-CD2 4.07Å; L65-F69 HydrophobicContact CG-CE2 4.12Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 3.4Å
66K98.4Very high98.2Very high166 Ų166111.2 Ų111.272%0.72253%0.531SS*.Hα-helixtrans-54.5-49.5175.3-177.3178.5180178.70111.1A62 G63 K68 F69 W70A62-K66 WeakPolarHBondContact O-CB 3.39Å; A62-K66 PolarHBondContact O-N 3.45Å; G63-K66 PolarHBondContact O-N 2.94Å; K66-K68 PolarHBondContact O-N 3.46Å; K66-F69 PolarHBondContact O-N 2.85Å; K66-W70 VanDerWaalsContact O-CB 3.32Å; K66-W70 WeakPolarHBondContact O-CB 3.41Å; K66-W70 PolarHBondContact O-N 3.46Å
67R98.3Very high98.2Very high145 Ų145109 Ų10955%0.54752%0.519SS..Hα-helixtrans-61.2-42.5177-71.7-174.1-64-88.34.1112.4G63 K64 L65 F69 W70 W71G63-R67 WeakPolarHBondContact O-CG 3.45Å; G63-R67 PolarHBondContact O-N 3.43Å; G63-R67 PolarHBondContact O-NH1 3.49Å; K64-R67 PolarHBondContact O-N 3.49Å; L65-R67 VanDerWaalsContact C-N 3.34Å; L65-R67 PolarHBondContact O-N 3.35Å; R67-F69 PolarHBondContact O-N 2.96Å; R67-W70 PolarHBondContact O-N 3Å; R67-W71 PolarHBondContact O-N 2.91Å
68K98.4Very high98.2Very high123 Ų123105.5 Ų105.554%0.53551%0.511SS..Hα-helixtrans-58.4-47.3177.5-177.2-178.4-177.61790111.4K64 L65 K66 K72K64-K68 WeakPolarHBondContact O-CB 3.4Å; K64-K68 PolarHBondContact O-N 3.33Å; L65-K68 WeakPolarHBondContact O-CB 3.32Å; L65-K68 PolarHBondContact O-N 3.08Å; L65-K68 VanDerWaalsContact O-N 3.14Å; K66-K68 PolarHBondContact O-N 3.46Å; K68-K72 WeakPolarHBondContact O-CG 3.44Å; K68-K72 PolarHBondContact O-N 3.14Å; K68-K72 VanDerWaalsContact O-N 3.08Å
69F98.1Very high98.2Very high103 Ų103103.6 Ų103.645%0.45250%0.502SS..Hα-helixtrans-72.4-36.4178.9-84.1-84.3000112.8L65 K66 R67 W71 K72 N73L65-F69 HydrophobicContact CD1-CD2 3.88Å; L65-F69 HydrophobicContact CD1-CE2 3.6Å; L65-F69 HydrophobicContact CG-CD2 4.07Å; L65-F69 HydrophobicContact CG-CE2 4.12Å; L65-F69 WeakPolarHBondContact O-CD2 3.39Å; L65-F69 PolarHBondContact O-N 3.4Å; K66-F69 PolarHBondContact O-N 2.85Å; R67-F69 PolarHBondContact O-N 2.96Å; F69-W71 PolarHBondContact O-N 3.4Å; F69-K72 PolarHBondContact O-N 2.87Å; F69-N73 WeakPolarHBondContact O-CB 3.42Å; F69-N73 PolarHBondContact O-N 2.87Å; F69-N73 PolarHBondContact O-OD1 2.98Å
70W98.2Very high98.2Very high148 Ų148100 Ų10056%0.56149%0.487SS*.Hα-helixtrans-57.1-49.4173.1-175.476.9000111.3K66 R67 K72 N73 C74K66-W70 VanDerWaalsContact O-CB 3.32Å; K66-W70 WeakPolarHBondContact O-CB 3.41Å; K66-W70 PolarHBondContact O-N 3.46Å; R67-W70 PolarHBondContact O-N 3Å; W70-K72 PolarHBondContact O-N 3.43Å; W70-N73 PolarHBondContact O-N 3.44Å; W70-C74 PolarHBondContact O-N 3.46Å; W70-C74 PolarHBondContact O-SG 3.36Å
71W98.1Very high98.2Very high144 Ų144102.3 Ų102.355%0.54549%0.491SS..Hα-helixtrans-64.1-38.2176.1-78.1119000113.7R67 F69 N73 K75R67-W71 PolarHBondContact O-N 2.91Å; F69-W71 PolarHBondContact O-N 3.4Å; W71-N73 VanDerWaalsContact C-N 3.35Å; W71-K75 WeakPolarHBondContact O-CB 3.27Å; W71-K75 VanDerWaalsContact O-CG 3.27Å; W71-K75 WeakPolarHBondContact O-CG 3.4Å; W71-K75 PolarHBondContact O-N 3.22Å
72K97.9Very high98.1Very high110 Ų110106.6 Ų106.648%0.47850%0.501SS..Hα-helixtrans-60.3-46.1173.6-78.7-176.8172.2-166.30111.1K68 F69 W70 K75 Y76K68-K72 WeakPolarHBondContact O-CG 3.44Å; K68-K72 PolarHBondContact O-N 3.14Å; K68-K72 VanDerWaalsContact O-N 3.08Å; F69-K72 PolarHBondContact O-N 2.87Å; W70-K72 PolarHBondContact O-N 3.43Å; K72-K75 PolarHBondContact O-N 3.23Å; K72-Y76 WeakPolarHBondContact O-CB 3.34Å; K72-Y76 PolarHBondContact O-N 3.31Å
73N97.8Very high98.1Very high109 Ų109110.4 Ų110.458%0.58351%0.51SS*.Hα-helixtrans-66.6-42.1179.8-68.1-6000111.5F69 W70 W71 Y76 G77F69-N73 WeakPolarHBondContact O-CB 3.42Å; F69-N73 PolarHBondContact O-N 2.87Å; F69-N73 PolarHBondContact O-OD1 2.98Å; W70-N73 PolarHBondContact O-N 3.44Å; W71-N73 VanDerWaalsContact C-N 3.35Å; N73-Y76 PolarHBondContact O-N 3.38Å; N73-G77 PolarHBondContact O-N 3.32Å
74C97.7Very high98.1Very high49 Ų49114.8 Ų114.833%0.33153%0.527SS..Hα-helixtrans-60-47.8174-69.80000111.8W70 Y76 G77 S78W70-C74 PolarHBondContact O-N 3.46Å; W70-C74 PolarHBondContact O-SG 3.36Å; C74-Y76 PolarHBondContact O-N 3.01Å; C74-G77 PolarHBondContact O-N 2.99Å; C74-S78 PolarHBondContact O-N 2.84Å; C74-S78 PolarHBondContact O-OG 3.43Å
75K98.1Very high98.1Very high152 Ų152115.2 Ų115.266%0.66153%0.53SS*.Hα-helixtrans-61.1-43.9177.4-74.4176.7179.6-176.30111.9W71 K72 S78 F79W71-K75 WeakPolarHBondContact O-CB 3.27Å; W71-K75 VanDerWaalsContact O-CG 3.27Å; W71-K75 WeakPolarHBondContact O-CG 3.4Å; W71-K75 PolarHBondContact O-N 3.22Å; K72-K75 PolarHBondContact O-N 3.23Å; K75-S78 PolarHBondContact O-N 2.99Å; K75-F79 PolarHBondContact O-N 3.47Å
76Y98.3Very high98Very high142 Ų142116.4 Ų116.456%0.55754%0.536SS*.Hα-helixtrans-63.3-42.5176.7-174.3-108.3000111.7K72 N73 C74 S78 F79 L80K72-Y76 WeakPolarHBondContact O-CB 3.34Å; K72-Y76 PolarHBondContact O-N 3.31Å; N73-Y76 PolarHBondContact O-N 3.38Å; C74-Y76 PolarHBondContact O-N 3.01Å; Y76-S78 PolarHBondContact O-N 3.24Å; Y76-F79 PolarHBondContact O-N 3.47Å; Y76-L80 HydrophobicContact CD1-CD1 3.7Å; Y76-L80 HydrophobicContact CD1-CG 4.14Å; Y76-L80 HydrophobicContact CE1-CD1 3.27Å; Y76-L80 HydrophobicContact CE1-CD2 4.26Å; Y76-L80 HydrophobicContact CE1-CG 3.8Å; Y76-L80 HydrophobicContact CE2-CD2 4.45Å; Y76-L80 HydrophobicContact CE2-CG 4.38Å; Y76-L80 WeakPolarHBondContact O-CG 3.46Å; Y76-L80 PolarHBondContact O-N 2.8Å
77G98.3Very high98Very high24 Ų24112.9 Ų112.925%0.24753%0.525CS..Hα-helixtrans-57.5-45.2173.400000112.5N73 C74 F79 L80 N81N73-G77 PolarHBondContact O-N 3.32Å; C74-G77 PolarHBondContact O-N 2.99Å; G77-F79 PolarHBondContact O-N 3.45Å; G77-L80 PolarHBondContact O-N 3.07Å; G77-N81 PolarHBondContact O-N 3.23Å; G77-N81 PolarHBondContact O-ND2 3.27Å
78S98.1Very high98Very high71 Ų71113.7 Ų113.750%0.49753%0.532SS..Hα-helixtrans-64-39.2175.5-56.70000112.8C74 K75 Y76 K82C74-S78 PolarHBondContact O-N 2.84Å; C74-S78 PolarHBondContact O-OG 3.43Å; K75-S78 PolarHBondContact O-N 2.99Å; Y76-S78 PolarHBondContact O-N 3.24Å; S78-K82 WeakPolarHBondContact O-CG 3.5Å; S78-K82 PolarHBondContact O-N 2.96Å
79F97.6Very high98Very high114 Ų114112.1 Ų112.150%0.553%0.533SS..Hα-helixtrans-64.2-46.3176.4175.2-98.7000112.1K75 Y76 G77 N81 K82 K83K75-F79 PolarHBondContact O-N 3.47Å; Y76-F79 PolarHBondContact O-N 3.47Å; G77-F79 PolarHBondContact O-N 3.45Å; F79-N81 PolarHBondContact O-N 2.9Å; F79-K82 PolarHBondContact O-N 3.49Å; F79-K83 HydrophobicContact CD1-CG 4.45Å; F79-K83 HydrophobicContact CE1-CG 3.94Å; F79-K83 HydrophobicContact CE2-CG 4.41Å; F79-K83 HydrophobicContact CZ-CD 4.45Å; F79-K83 HydrophobicContact CZ-CG 3.92Å; F79-K83 PolarHBondContact O-N 3.18Å
80L98.3Very high97.9Very high66 Ų66111.2 Ų111.235%0.34653%0.532SS..Hα-helixtrans-59.4-45.3176.8-75.4179.9000112.1Y76 G77 K82 K83 I84Y76-L80 HydrophobicContact CD1-CD1 3.7Å; Y76-L80 HydrophobicContact CD1-CG 4.14Å; Y76-L80 HydrophobicContact CE1-CD1 3.27Å; Y76-L80 HydrophobicContact CE1-CD2 4.26Å; Y76-L80 HydrophobicContact CE1-CG 3.8Å; Y76-L80 HydrophobicContact CE2-CD2 4.45Å; Y76-L80 HydrophobicContact CE2-CG 4.38Å; Y76-L80 WeakPolarHBondContact O-CG 3.46Å; Y76-L80 PolarHBondContact O-N 2.8Å; G77-L80 PolarHBondContact O-N 3.07Å; L80-K82 VanDerWaalsContact C-N 3.31Å; L80-K82 PolarHBondContact O-N 3.38Å; L80-K83 WeakPolarHBondContact O-CB 3.34Å; L80-K83 PolarHBondContact O-N 3.44Å; L80-K83 VanDerWaalsContact O-N 3.17Å; L80-I84 WeakPolarHBondContact O-CG1 3.49Å; L80-I84 PolarHBondContact O-N 2.87Å
81N98.3Very high97.8Very high111 Ų111108.1 Ų108.159%0.59453%0.526SS*.Hα-helixtrans-59.5-41.6177.2-82.9-72.7000112.2G77 F79 I84 K85G77-N81 PolarHBondContact O-N 3.23Å; G77-N81 PolarHBondContact O-ND2 3.27Å; F79-N81 PolarHBondContact O-N 2.9Å; N81-I84 PolarHBondContact O-N 3.17Å; N81-K85 PolarHBondContact O-N 3.34Å
82K98Very high97.7Very high158 Ų158106.9 Ų106.969%0.68753%0.526SS*.Hα-helixtrans-62.5-44.8174.4-73.6177.5179-177.30111.9S78 F79 L80 K85 L86S78-K82 WeakPolarHBondContact O-CG 3.5Å; S78-K82 PolarHBondContact O-N 2.96Å; F79-K82 PolarHBondContact O-N 3.49Å; L80-K82 VanDerWaalsContact C-N 3.31Å; L80-K82 PolarHBondContact O-N 3.38Å; K82-K85 PolarHBondContact O-N 3.18Å; K82-L86 WeakPolarHBondContact O-CB 3.46Å; K82-L86 PolarHBondContact O-N 3.01Å
83K97.9Very high97.6Very high121 Ų121107.2 Ų107.253%0.52653%0.533SS..Hα-helixtrans-60.7-44.3176.4-85.6-82.3-175.7168.70112.1F79 L80 L86 N87F79-K83 HydrophobicContact CD1-CG 4.45Å; F79-K83 HydrophobicContact CE1-CG 3.94Å; F79-K83 HydrophobicContact CE2-CG 4.41Å; F79-K83 HydrophobicContact CZ-CD 4.45Å; F79-K83 HydrophobicContact CZ-CG 3.92Å; F79-K83 PolarHBondContact O-N 3.18Å; L80-K83 WeakPolarHBondContact O-CB 3.34Å; L80-K83 PolarHBondContact O-N 3.44Å; L80-K83 VanDerWaalsContact O-N 3.17Å; K83-L86 PolarHBondContact O-N 3.3Å; K83-N87 WeakPolarHBondContact O-CB 3.34Å; K83-N87 PolarHBondContact O-N 3.07Å
84I98.2Very high97.4Very high111 Ų111108 Ų10857%0.56954%0.535SS*.Hα-helixtrans-61.2-46176.6-69.9160.1000110.7L80 N81 L86 N87 K88L80-I84 WeakPolarHBondContact O-CG1 3.49Å; L80-I84 PolarHBondContact O-N 2.87Å; N81-I84 PolarHBondContact O-N 3.17Å; I84-L86 PolarHBondContact O-N 3.26Å; I84-N87 PolarHBondContact O-N 2.9Å; I84-K88 WeakPolarHBondContact O-CB 3.39Å; I84-K88 PolarHBondContact O-N 2.87Å
85K97.5Very high97.4Very high159 Ų159112 Ų11269%0.69155%0.552SS**Hα-helixtrans-61.5-44.4178.1-169.8173.4-177177.20111.8N81 K82 K88 V89N81-K85 PolarHBondContact O-N 3.34Å; K82-K85 PolarHBondContact O-N 3.18Å; K85-K88 PolarHBondContact O-N 3.37Å; K85-V89 WeakPolarHBondContact O-CG2 3.46Å; K85-V89 PolarHBondContact O-N 2.92Å
86L97.5Very high97Very high119 Ų119112.8 Ų112.862%0.62356%0.563SS**Hα-helixtrans-63.7-43.3176.7-17368000111.7K82 K83 I84 K88 V89 N90K82-L86 WeakPolarHBondContact O-CB 3.46Å; K82-L86 PolarHBondContact O-N 3.01Å; K83-L86 PolarHBondContact O-N 3.3Å; I84-L86 PolarHBondContact O-N 3.26Å; L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 3.45Å; L86-V89 PolarHBondContact O-N 3.48Å; L86-N90 PolarHBondContact O-N 3.36Å
87N97.9Very high96.9Very high92 Ų92111.4 Ų111.449%0.49256%0.563SS.*Hα-helixtrans-62.6-40.3177.3-167.350.9000111.7K83 I84 V89 N90 I91K83-N87 WeakPolarHBondContact O-CB 3.34Å; K83-N87 PolarHBondContact O-N 3.07Å; I84-N87 PolarHBondContact O-N 2.9Å; N87-V89 PolarHBondContact O-N 3.16Å; N87-N90 PolarHBondContact O-N 3.37Å; N87-I91 WeakPolarHBondContact O-CG1 3.38Å; N87-I91 PolarHBondContact O-N 3.28Å
88K97.6Very high96.9Very high162 Ų162115.9 Ų115.970%0.70458%0.58SS**Hα-helixtrans-62.3-41.8175.3-172174.2-177.61760112.1I84 K85 L86 H92I84-K88 WeakPolarHBondContact O-CB 3.39Å; I84-K88 PolarHBondContact O-N 2.87Å; K85-K88 PolarHBondContact O-N 3.37Å; L86-K88 VanDerWaalsContact C-N 3.32Å; L86-K88 PolarHBondContact O-N 3.45Å; K88-H92 PolarHBondContact O-N 3.5Å; K88-H92 VanDerWaalsContact O-N 3.09Å
89V97.7Very high96.8Very high89 Ų89118.4 Ų118.454%0.53958%0.584SS.*Hα-helixtrans-64.7-42.3175172.90000111.1K85 L86 N87 H92 L93K85-V89 WeakPolarHBondContact O-CG2 3.46Å; K85-V89 PolarHBondContact O-N 2.92Å; L86-V89 PolarHBondContact O-N 3.48Å; N87-V89 PolarHBondContact O-N 3.16Å; V89-H92 PolarHBondContact O-N 3.42Å; V89-L93 PolarHBondContact O-N 3.08Å
90N96.8Very high96.8Very high84 Ų84118.7 Ų118.745%0.44959%0.589SS.*Hα-helixtrans-63.5-45.7178.4-168.88000112.1L86 N87 H92 L93 I94L86-N90 PolarHBondContact O-N 3.36Å; N87-N90 PolarHBondContact O-N 3.37Å; N90-H92 VanDerWaalsContact C-N 3.28Å; N90-H92 PolarHBondContact O-N 3.28Å; N90-L93 PolarHBondContact O-N 3.09Å; N90-L93 VanDerWaalsContact O-N 3.16Å; N90-I94 WeakPolarHBondContact O-CG1 3.33Å; N90-I94 PolarHBondContact O-N 2.93Å; N90-I94 VanDerWaalsContact O-N 3.08Å
91I97Very high96.7Very high83 Ų83122 Ų12243%0.42661%0.605SS.*Hα-helixtrans-59.4-41.8175.3-68.9166.1000110.9N87 L93 I94 I95N87-I91 WeakPolarHBondContact O-CG1 3.38Å; N87-I91 PolarHBondContact O-N 3.28Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 3.27Å; I91-I94 PolarHBondContact O-N 3.24Å; I91-I95 HydrophobicContact CG2-CD1 3.69Å; I91-I95 WeakPolarHBondContact O-CG1 3.36Å; I91-I95 PolarHBondContact O-N 3.01Å
92H95.3Very high96.6Very high118 Ų118122.7 Ų122.755%0.54661%0.605SS.*Hα-helixtrans-62.2-41.1177.1-173.655.6000112.1K88 V89 N90 I94 I95 L96K88-H92 PolarHBondContact O-N 3.5Å; K88-H92 VanDerWaalsContact O-N 3.09Å; V89-H92 PolarHBondContact O-N 3.42Å; N90-H92 VanDerWaalsContact C-N 3.28Å; N90-H92 PolarHBondContact O-N 3.28Å; H92-I94 VanDerWaalsContact C-N 3.3Å; H92-I94 PolarHBondContact O-N 3.46Å; H92-I95 PolarHBondContact O-N 3.27Å; H92-L96 WeakPolarHBondContact O-CG 3.4Å; H92-L96 PolarHBondContact O-N 3.32Å
93L94.9Very high96.5Very high118 Ų118120.2 Ų120.262%0.61860%0.599SS**Hα-helixtrans-65.6-30.9177.5-176.361.4000113.1V89 N90 I91V89-L93 PolarHBondContact O-N 3.08Å; N90-L93 PolarHBondContact O-N 3.09Å; N90-L93 VanDerWaalsContact O-N 3.16Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 3.27Å
94I95.5Very high96.3Very high124 Ų124120.2 Ų120.264%0.63661%0.605SS**Hα-helixtrans-75.8-27.2178.4-67.8165.5000112.1N90 I91 H92N90-I94 WeakPolarHBondContact O-CG1 3.33Å; N90-I94 PolarHBondContact O-N 2.93Å; N90-I94 VanDerWaalsContact O-N 3.08Å; I91-I94 PolarHBondContact O-N 3.24Å; H92-I94 VanDerWaalsContact C-N 3.3Å; H92-I94 PolarHBondContact O-N 3.46Å
95I95.8Very high96.2Very high133 Ų133120.9 Ų120.968%0.68261%0.608SS**Hα-helixtrans-87.7-17.4-177.9-65.8168.1000112I91 H92I91-I95 HydrophobicContact CG2-CD1 3.69Å; I91-I95 WeakPolarHBondContact O-CG1 3.36Å; I91-I95 PolarHBondContact O-N 3.01Å; H92-I95 PolarHBondContact O-N 3.27Å
96L90.9Very high96.1Very high170 Ų170117.5 Ų117.589%0.8960%0.601SS**  trans-82.10172.8-71.2173000111.1H92H92-L96 WeakPolarHBondContact O-CG 3.4Å; H92-L96 PolarHBondContact O-N 3.32Å

Retrieved 96 of 96 residues in 135.3 ms (Link to these results)