A0A087XZK7_POEFO Loading...

Hes family bHLH transcription factor 2

AlphaFold DB , UniProt , Accession A0A087XZK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 181 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
1Q61.2Low71.7Confident202 Ų202133.1 Ų133.194%0.94461%0.61SS**  0-56.40-72.1-179.8-9.600114.4K3 Q4 A5Q1-K3 PolarHBondContact O-N 3.13Å; Q1-Q4 PolarHBondContact O-N 2.84Å; Q1-A5 PolarHBondContact O-N 3.38Å; Q1-A5 VanDerWaalsContact O-N 3.16Å
2R67.3Low72.9Confident237 Ų237128.5 Ų128.589%0.89459%0.593SS**Hα-helixtrans-58-38.7179.8-77.4-177.7167.6178.6-3.4115.1H6R2-H6 PolarHBondContact O-N 3.32Å; R2-H6 VanDerWaalsContact O-N 3.15Å
3K68.9Low73.6Confident183 Ų183128.6 Ų128.680%0.79659%0.591SS**Hα-helixtrans-66.1-41.7177.3-67.1-176.8178.2-178.60112.7Q1 H6 E7Q1-K3 PolarHBondContact O-N 3.13Å; K3-H6 WeakPolarHBondContact O-CB 3.4Å; K3-H6 PolarHBondContact O-N 3.19Å; K3-E7 WeakPolarHBondContact O-CG 3.47Å; K3-E7 PolarHBondContact O-N 3.22Å; K3-E7 VanDerWaalsContact O-N 3.07Å
4Q70.4Confident74.8Confident151 Ų151124.9 Ų124.971%0.70658%0.584SS**Hα-helixtrans-65.1-41.1176.8-73.6171.6-14.300112.2Q1 H6 E7 L8Q1-Q4 PolarHBondContact O-N 2.84Å; Q4-H6 VanDerWaalsContact C-N 3.3Å; Q4-H6 PolarHBondContact O-N 3.34Å; Q4-E7 PolarHBondContact O-N 3.5Å; Q4-L8 WeakPolarHBondContact O-CB 3.21Å; Q4-L8 PolarHBondContact O-N 3.42Å
5A72.3Confident75.7Confident43 Ų43123.9 Ų123.936%0.35558%0.583SS.*Hα-helixtrans-64.9-33.1175.500000112.9Q1 R9Q1-A5 PolarHBondContact O-N 3.38Å; Q1-A5 VanDerWaalsContact O-N 3.16Å; A5-R9 WeakPolarHBondContact O-CG 3.43Å; A5-R9 PolarHBondContact O-N 2.94Å
6H74.8Confident76.8Confident98 Ų98122.8 Ų122.845%0.45458%0.582SS.*Hα-helixtrans-69.3-46176.1-178.5-92.3000112.3R2 K3 Q4 L8 R9 K10R2-H6 PolarHBondContact O-N 3.32Å; R2-H6 VanDerWaalsContact O-N 3.15Å; K3-H6 WeakPolarHBondContact O-CB 3.4Å; K3-H6 PolarHBondContact O-N 3.19Å; Q4-H6 VanDerWaalsContact C-N 3.3Å; Q4-H6 PolarHBondContact O-N 3.34Å; H6-L8 VanDerWaalsContact C-N 3.35Å; H6-R9 PolarHBondContact O-N 2.91Å; H6-K10 WeakPolarHBondContact CE1-CE 3.49Å; H6-K10 PolarHBondContact O-N 3.33Å
7E73.3Confident77.8Confident94 Ų94117.5 Ų117.544%0.43956%0.557SS.*Hα-helixtrans-66-37.6176.6-65.1-50.6120.700111.9K3 Q4 R9 K10 T11K3-E7 WeakPolarHBondContact O-CG 3.47Å; K3-E7 PolarHBondContact O-N 3.22Å; K3-E7 VanDerWaalsContact O-N 3.07Å; Q4-E7 PolarHBondContact O-N 3.5Å; E7-R9 VanDerWaalsContact C-N 3.35Å; E7-R9 PolarHBondContact O-N 2.87Å; E7-K10 WeakPolarHBondContact O-CB 3.46Å; E7-K10 PolarHBondContact O-N 2.92Å; E7-K10 IonicContact OE1-NZ 3.64Å; E7-K10 PolarHBondContact OE1-NZ 2.91Å; E7-K10 WeakPolarHBondContact OE2-CD 3.33Å; E7-K10 IonicContact OE2-NZ 2.8Å; E7-T11 PolarHBondContact O-N 3.41Å; E7-T11 PolarHBondContact O-OG1 2.74Å
8L71.6Confident78.7Confident98 Ų98119.8 Ų119.851%0.51356%0.564SS.*Hα-helixtrans-62-40.2172-174.966.1000112.2Q4 H6 T11 L12Q4-L8 WeakPolarHBondContact O-CB 3.21Å; Q4-L8 PolarHBondContact O-N 3.42Å; H6-L8 VanDerWaalsContact C-N 3.35Å; L8-T11 PolarHBondContact O-N 3.14Å; L8-T11 PolarHBondContact O-OG1 3.32Å; L8-T11 VanDerWaalsContact O-OG1 3.07Å; L8-L12 HydrophobicContact CD1-CD1 3.72Å; L8-L12 HydrophobicContact CD1-CD2 4.42Å; L8-L12 HydrophobicContact CD1-CG 3.86Å; L8-L12 HydrophobicContact CD2-CD1 4.11Å; L8-L12 HydrophobicContact CG-CD1 3.58Å; L8-L12 HydrophobicContact CG-CG 4.06Å; L8-L12 VanDerWaalsContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 VanDerWaalsContact O-CG 3.22Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 2.94Å
9R75.8Confident79.5Confident165 Ų165122.7 Ų122.762%0.62357%0.569SS**Hα-helixtrans-66-37.1175.2-77.2173.7-176.5163.11.5112.3A5 H6 E7 T11 K13A5-R9 WeakPolarHBondContact O-CG 3.43Å; A5-R9 PolarHBondContact O-N 2.94Å; H6-R9 PolarHBondContact O-N 2.91Å; E7-R9 VanDerWaalsContact C-N 3.35Å; E7-R9 PolarHBondContact O-N 2.87Å; R9-T11 VanDerWaalsContact C-N 3.28Å; R9-T11 PolarHBondContact O-N 2.94Å; R9-K13 VanDerWaalsContact O-CB 3.26Å; R9-K13 WeakPolarHBondContact O-CB 3.44Å; R9-K13 WeakPolarHBondContact O-CG 3.23Å; R9-K13 PolarHBondContact O-N 2.97Å; R9-K13 VanDerWaalsContact O-N 3.12Å
10K76.4Confident80.4Confident113 Ų113120.5 Ų120.549%0.49156%0.555SS.*Hα-helixtrans-62.6-34.5176.3-81.4175.8169.61660112.6H6 E7 P14H6-K10 WeakPolarHBondContact CE1-CE 3.49Å; H6-K10 PolarHBondContact O-N 3.33Å; E7-K10 WeakPolarHBondContact O-CB 3.46Å; E7-K10 PolarHBondContact O-N 2.92Å; E7-K10 IonicContact OE1-NZ 3.64Å; E7-K10 PolarHBondContact OE1-NZ 2.91Å; E7-K10 WeakPolarHBondContact OE2-CD 3.33Å; E7-K10 IonicContact OE2-NZ 2.8Å; K10-P14 WeakPolarHBondContact O-CD 3.43Å; K10-P14 VanDerWaalsContact O-CG 3.23Å; K10-P14 WeakPolarHBondContact O-CG 3.48Å
11T77Confident81.2Confident80 Ų80122 Ų12249%0.49156%0.557SS.*Hα-helixtrans-88.4-38-179.657.20000112.7E7 L8 R9 P14 L15E7-T11 PolarHBondContact O-N 3.41Å; E7-T11 PolarHBondContact O-OG1 2.74Å; L8-T11 PolarHBondContact O-N 3.14Å; L8-T11 PolarHBondContact O-OG1 3.32Å; L8-T11 VanDerWaalsContact O-OG1 3.07Å; R9-T11 VanDerWaalsContact C-N 3.28Å; R9-T11 PolarHBondContact O-N 2.94Å; T11-P14 WeakPolarHBondContact O-CD 3.49Å; T11-P14 WeakPolarHBondContact O-CG 3.45Å; T11-L15 WeakPolarHBondContact O-CG 3.31Å
12L85.4Confident82.9Confident78 Ų78114.6 Ų114.641%0.40853%0.529SS..Hα-helixtrans-73.8-36.1-178.7-68.9-178.8000113.6L8 L15 L16L8-L12 HydrophobicContact CD1-CD1 3.72Å; L8-L12 HydrophobicContact CD1-CD2 4.42Å; L8-L12 HydrophobicContact CD1-CG 3.86Å; L8-L12 HydrophobicContact CD2-CD1 4.11Å; L8-L12 HydrophobicContact CG-CD1 3.58Å; L8-L12 HydrophobicContact CG-CG 4.06Å; L8-L12 VanDerWaalsContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 VanDerWaalsContact O-CG 3.22Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 2.94Å; L12-L15 HydrophobicContact CD2-CD1 4.49Å; L12-L15 PolarHBondContact O-N 3.35Å; L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.39Å; L12-L16 PolarHBondContact O-N 3.05Å
13K82.4Confident84.3Confident130 Ų130111.4 Ų111.457%0.56552%0.517SS*.Hα-helixtrans-56.2-52.3178-79-179.9171.8-163.60113.4R9 L15 L16 E17R9-K13 VanDerWaalsContact O-CB 3.26Å; R9-K13 WeakPolarHBondContact O-CB 3.44Å; R9-K13 WeakPolarHBondContact O-CG 3.23Å; R9-K13 PolarHBondContact O-N 2.97Å; R9-K13 VanDerWaalsContact O-N 3.12Å; K13-L15 VanDerWaalsContact C-N 3.28Å; K13-L15 PolarHBondContact O-N 3.47Å; K13-L16 PolarHBondContact O-N 3.08Å; K13-E17 PolarHBondContact O-N 3.38Å
14P90.3Very high85.6Confident77 Ų77105.9 Ų105.950%0.550%0.496SS..Hα-helixtrans-64.1-32.5178.420.7-29.7000112.6K10 T11 K18K10-P14 WeakPolarHBondContact O-CD 3.43Å; K10-P14 VanDerWaalsContact O-CG 3.23Å; K10-P14 WeakPolarHBondContact O-CG 3.48Å; T11-P14 WeakPolarHBondContact O-CD 3.49Å; T11-P14 WeakPolarHBondContact O-CG 3.45Å; P14-K18 WeakPolarHBondContact O-CB 3.43Å; P14-K18 PolarHBondContact O-N 2.91Å
15L88.9Confident86.8Confident109 Ų109101.7 Ų101.757%0.57148%0.478SS*.Hα-helixtrans-66.5-45174.7-66.9174.6000112.2T11 L12 K13 K18 R19T11-L15 WeakPolarHBondContact O-CG 3.31Å; L12-L15 HydrophobicContact CD2-CD1 4.49Å; L12-L15 PolarHBondContact O-N 3.35Å; K13-L15 VanDerWaalsContact C-N 3.28Å; K13-L15 PolarHBondContact O-N 3.47Å; L15-K18 PolarHBondContact O-N 2.84Å; L15-R19 PolarHBondContact O-N 3.32Å
16L93.2Very high87.9Confident107 Ų107103.8 Ų103.856%0.5648%0.484SS*.Hα-helixtrans-63.6-42.6176.7-74.8166.1000111.5L12 K13 R19 R20L12-L16 WeakPolarHBondContact O-CB 3.36Å; L12-L16 WeakPolarHBondContact O-CG 3.39Å; L12-L16 PolarHBondContact O-N 3.05Å; K13-L16 PolarHBondContact O-N 3.08Å; L16-R19 PolarHBondContact O-N 2.9Å; L16-R20 WeakPolarHBondContact O-CB 3.38Å; L16-R20 PolarHBondContact O-N 3.08Å
17E93.1Very high89Confident33 Ų33102.6 Ų102.615%0.15449%0.486CS..Hα-helixtrans-66.3-39.7177.2177.457-16800111.6K13 R19 R20 R21K13-E17 PolarHBondContact O-N 3.38Å; E17-R19 VanDerWaalsContact C-N 3.34Å; E17-R19 PolarHBondContact O-N 3.32Å; E17-R20 PolarHBondContact O-N 3.13Å; E17-R20 IonicContact OE1-CZ 3.6Å; E17-R20 IonicContact OE1-NE 2.83Å; E17-R20 IonicContact OE1-NH2 2.91Å; E17-R20 PolarHBondContact OE1-NH2 2.98Å; E17-R20 IonicContact OE2-CZ 3.6Å; E17-R20 IonicContact OE2-NE 3.54Å; E17-R20 PolarHBondContact OE2-NE 2.95Å; E17-R20 IonicContact OE2-NH2 3.43Å; E17-R20 PolarHBondContact OE2-NH2 2.74Å; E17-R21 HydrophobicContact CG-CG 4.46Å; E17-R21 WeakPolarHBondContact O-CB 3.42Å; E17-R21 VanDerWaalsContact O-CG 3.31Å; E17-R21 WeakPolarHBondContact O-CG 3.37Å; E17-R21 PolarHBondContact O-N 3.02Å; E17-R21 WeakPolarHBondContact OE1-CG 3.43Å; E17-R21 IonicContact OE1-CZ 3.07Å; E17-R21 IonicContact OE1-NE 2.78Å; E17-R21 PolarHBondContact OE1-NE 2.64Å; E17-R21 IonicContact OE1-NH2 3.35Å
18K94.1Very high90Very high158 Ų15899.1 Ų99.169%0.68747%0.471SS*.Hα-helixtrans-58.2-46.1172.3-173.5178.1-178.7179.70111.2P14 L15 R21 A22P14-K18 WeakPolarHBondContact O-CB 3.43Å; P14-K18 PolarHBondContact O-N 2.91Å; L15-K18 PolarHBondContact O-N 2.84Å; K18-R21 PolarHBondContact O-N 2.75Å; K18-A22 PolarHBondContact O-N 3.04Å
19R94.8Very high91.1Very high175 Ų17598 Ų9866%0.6647%0.471SS*.Hα-helixtrans-63-41.7175.9-175.8-179-74.8164.3-4111.8L15 L16 E17 A22 R23L15-R19 PolarHBondContact O-N 3.32Å; L16-R19 PolarHBondContact O-N 2.9Å; E17-R19 VanDerWaalsContact C-N 3.34Å; E17-R19 PolarHBondContact O-N 3.32Å; R19-A22 PolarHBondContact O-N 3.34Å; R19-R23 WeakPolarHBondContact O-CG 3.4Å; R19-R23 PolarHBondContact O-N 2.88Å
20R96.8Very high92Very high79 Ų7996.7 Ų96.730%0.29847%0.472SS..Hα-helixtrans-62.5-45.4176.8-168.5-167.97191.44.3111.6L16 E17 R23 I24L16-R20 WeakPolarHBondContact O-CB 3.38Å; L16-R20 PolarHBondContact O-N 3.08Å; E17-R20 PolarHBondContact O-N 3.13Å; E17-R20 IonicContact OE1-CZ 3.6Å; E17-R20 IonicContact OE1-NE 2.83Å; E17-R20 IonicContact OE1-NH2 2.91Å; E17-R20 PolarHBondContact OE1-NH2 2.98Å; E17-R20 IonicContact OE2-CZ 3.6Å; E17-R20 IonicContact OE2-NE 3.54Å; E17-R20 PolarHBondContact OE2-NE 2.95Å; E17-R20 IonicContact OE2-NH2 3.43Å; E17-R20 PolarHBondContact OE2-NH2 2.74Å; R20-R23 PolarHBondContact O-N 3.1Å; R20-I24 HydrophobicContact CG-CD1 4.32Å; R20-I24 WeakPolarHBondContact O-CG1 3.41Å; R20-I24 PolarHBondContact O-N 2.67Å
21R96.9Very high92.9Very high153 Ų15393.4 Ų93.458%0.57746%0.459SS*.Hα-helixtrans-61.9-41.7177.2-72.6178.5-175.9-1681.8111.9E17 K18 I24 N25E17-R21 HydrophobicContact CG-CG 4.46Å; E17-R21 WeakPolarHBondContact O-CB 3.42Å; E17-R21 VanDerWaalsContact O-CG 3.31Å; E17-R21 WeakPolarHBondContact O-CG 3.37Å; E17-R21 PolarHBondContact O-N 3.02Å; E17-R21 WeakPolarHBondContact OE1-CG 3.43Å; E17-R21 IonicContact OE1-CZ 3.07Å; E17-R21 IonicContact OE1-NE 2.78Å; E17-R21 PolarHBondContact OE1-NE 2.64Å; E17-R21 IonicContact OE1-NH2 3.35Å; K18-R21 PolarHBondContact O-N 2.75Å; R21-I24 PolarHBondContact O-N 2.67Å; R21-N25 VanDerWaalsContact O-CG 3.28Å; R21-N25 PolarHBondContact O-N 3.33Å; R21-N25 PolarHBondContact O-ND2 3.45Å
22A96.8Very high93.6Very high45 Ų4591.4 Ų91.437%0.37244%0.444SS..Hα-helixtrans-57.3-52.6173.300000110.9K18 R19 I24 N25 D26K18-A22 PolarHBondContact O-N 3.04Å; R19-A22 PolarHBondContact O-N 3.34Å; A22-I24 VanDerWaalsContact C-N 3.27Å; A22-I24 PolarHBondContact O-N 2.75Å; A22-N25 PolarHBondContact O-N 2.85Å; A22-D26 PolarHBondContact O-N 2.99Å
23R97.7Very high93.9Very high170 Ų17089.5 Ų89.564%0.64244%0.443SS*.Hα-helixtrans-55.5-39.5177.8-70.7178.965.9-143.1-2.9113.7R19 R20 S27R19-R23 WeakPolarHBondContact O-CG 3.4Å; R19-R23 PolarHBondContact O-N 2.88Å; R20-R23 PolarHBondContact O-N 3.1Å; R23-S27 WeakPolarHBondContact O-CB 3.19Å; R23-S27 PolarHBondContact O-N 2.97Å; R23-S27 PolarHBondContact O-OG 3.4Å
24I95.4Very high94.4Very high67 Ų6788.7 Ų88.734%0.34444%0.444SS..Hα-helixtrans-66-45.2176.5-72.7166.7000110.9R20 R21 A22 D26 S27 L28R20-I24 HydrophobicContact CG-CD1 4.32Å; R20-I24 WeakPolarHBondContact O-CG1 3.41Å; R20-I24 PolarHBondContact O-N 2.67Å; R21-I24 PolarHBondContact O-N 2.67Å; A22-I24 VanDerWaalsContact C-N 3.27Å; A22-I24 PolarHBondContact O-N 2.75Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-S27 PolarHBondContact O-N 3.12Å; I24-L28 HydrophobicContact CG2-CD1 4.03Å; I24-L28 WeakPolarHBondContact O-CG 3.32Å; I24-L28 PolarHBondContact O-N 3.42Å
25N95.8Very high94.6Very high63 Ų6385.4 Ų85.434%0.33742%0.422SS..Hα-helixtrans-64.8-39.6178.6-68.1-18.1000111.7R21 A22 S27 L28 S29 K51R21-N25 VanDerWaalsContact O-CG 3.28Å; R21-N25 PolarHBondContact O-N 3.33Å; R21-N25 PolarHBondContact O-ND2 3.45Å; A22-N25 PolarHBondContact O-N 2.85Å; N25-S27 VanDerWaalsContact C-N 3.34Å; N25-L28 PolarHBondContact O-N 3.44Å; N25-S29 WeakPolarHBondContact O-CB 3.31Å; N25-S29 PolarHBondContact O-N 3.28Å; N25-S29 PolarHBondContact O-OG 3.01Å; N25-K51 WeakPolarHBondContact OD1-CE 3.49Å; N25-K51 PolarHBondContact OD1-NZ 2.87Å
26D96.5Very high94.7Very high88 Ų8880.2 Ų80.247%0.47140%0.395SS..Hα-helixtrans-61.9-45.5176.1-60.2-22.5000110.3A22 I24 L28 S29 H30A22-D26 PolarHBondContact O-N 2.99Å; I24-D26 VanDerWaalsContact C-N 3.34Å; D26-L28 PolarHBondContact O-N 2.95Å; D26-S29 WeakPolarHBondContact O-CB 3.25Å; D26-S29 PolarHBondContact O-N 3.38Å; D26-H30 PolarHBondContact O-N 3.26Å; D26-H30 PolarHBondContact O-ND1 2.93Å
27S96.5Very high94.5Very high73 Ų7378.8 Ų78.851%0.5139%0.393SS..Hα-helixtrans-62.5-41.3177.4-55.50000112.2R23 I24 N25 S29 H30 L31R23-S27 WeakPolarHBondContact O-CB 3.19Å; R23-S27 PolarHBondContact O-N 2.97Å; R23-S27 PolarHBondContact O-OG 3.4Å; I24-S27 PolarHBondContact O-N 3.12Å; N25-S27 VanDerWaalsContact C-N 3.34Å; S27-S29 VanDerWaalsContact C-N 3.32Å; S27-S29 PolarHBondContact O-N 2.99Å; S27-H30 PolarHBondContact O-N 3.38Å; S27-L31 VanDerWaalsContact O-CB 3.25Å; S27-L31 WeakPolarHBondContact O-CB 3.21Å; S27-L31 PolarHBondContact O-N 3.06Å
28L95.3Very high94.3Very high21 Ų2182.4 Ų82.411%0.1141%0.412CS..Hα-helixtrans-65.2-36.1175.3-74.3170.7000112.2I24 N25 D26 L31 K32 K51 I54 L55I24-L28 HydrophobicContact CG2-CD1 4.03Å; I24-L28 WeakPolarHBondContact O-CG 3.32Å; I24-L28 PolarHBondContact O-N 3.42Å; N25-L28 PolarHBondContact O-N 3.44Å; D26-L28 PolarHBondContact O-N 2.95Å; L28-L31 PolarHBondContact O-N 3.44Å; L28-K32 WeakPolarHBondContact O-CB 3.21Å; L28-K32 PolarHBondContact O-N 3.46Å; L28-K51 HydrophobicContact CD1-CB 4.37Å; L28-K51 HydrophobicContact CD1-CD 3.89Å; L28-K51 HydrophobicContact CD1-CG 3.98Å; L28-I54 HydrophobicContact CD2-CG2 4.23Å; L28-L55 HydrophobicContact CD2-CD2 3.8Å; L28-L55 HydrophobicContact CD2-CG 4.11Å
29S93.6Very high94Very high75 Ų7577.4 Ų77.452%0.52440%0.395SS..Hα-helixtrans-68.8-44.5177.9-56.10000111.1N25 D26 S27 K32 G33N25-S29 WeakPolarHBondContact O-CB 3.31Å; N25-S29 PolarHBondContact O-N 3.28Å; N25-S29 PolarHBondContact O-OG 3.01Å; D26-S29 WeakPolarHBondContact O-CB 3.25Å; D26-S29 PolarHBondContact O-N 3.38Å; S27-S29 VanDerWaalsContact C-N 3.32Å; S27-S29 PolarHBondContact O-N 2.99Å; S29-K32 PolarHBondContact O-N 3.06Å; S29-G33 PolarHBondContact O-N 2.91Å
30H94.4Very high93.5Very high136 Ų13672.2 Ų72.263%0.6340%0.396SS*.Hα-helixtrans-60.8-45.4172-67.3153.9000111.7D26 S27 K32 G33 L34D26-H30 PolarHBondContact O-N 3.26Å; D26-H30 PolarHBondContact O-ND1 2.93Å; S27-H30 PolarHBondContact O-N 3.38Å; H30-K32 VanDerWaalsContact C-N 3.34Å; H30-K32 PolarHBondContact O-N 3.41Å; H30-G33 PolarHBondContact O-N 3.45Å; H30-G33 VanDerWaalsContact O-N 3.12Å; H30-L34 WeakPolarHBondContact O-CG 3.41Å; H30-L34 PolarHBondContact O-N 3.31Å
31L95.1Very high93Very high45 Ų4571.9 Ų71.924%0.23640%0.397CS..Hα-helixtrans-60.1-45179.8-174.761.1000111.6S27 L28 G33 L34 I35 I54 L55 T58S27-L31 VanDerWaalsContact O-CB 3.25Å; S27-L31 WeakPolarHBondContact O-CB 3.21Å; S27-L31 PolarHBondContact O-N 3.06Å; L28-L31 PolarHBondContact O-N 3.44Å; L31-G33 VanDerWaalsContact C-N 3.34Å; L31-G33 PolarHBondContact O-N 3.15Å; L31-L34 PolarHBondContact O-N 3.01Å; L31-I35 HydrophobicContact CD1-CD1 4.45Å; L31-I35 HydrophobicContact CD1-CG1 3.89Å; L31-I35 HydrophobicContact CG-CG1 4.24Å; L31-I35 WeakPolarHBondContact O-CB 3.36Å; L31-I35 VanDerWaalsContact O-CG1 3.28Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.32Å; L31-I54 HydrophobicContact CD2-CG2 4.22Å; L31-I54 HydrophobicContact CG-CG2 4.37Å; L31-L55 HydrophobicContact CD2-CD2 4.41Å; L31-T58 HydrophobicContact CD1-CG2 3.73Å; L31-T58 HydrophobicContact CD2-CG2 3.96Å; L31-T58 WeakPolarHBondContact CD2-OG1 3.32Å; L31-T58 HydrophobicContact CG-CG2 4.15Å; L31-T58 WeakPolarHBondContact CG-OG1 3.24Å
32K93.1Very high92.2Very high37 Ų3768.7 Ų68.716%0.16139%0.391CS..Hα-helixtrans-56.7-47.1173.1177.9-176.4174.9177.50111.7L28 S29 H30 L34 I35 L36 Y46 S47 L49 I54L28-K32 WeakPolarHBondContact O-CB 3.21Å; L28-K32 PolarHBondContact O-N 3.46Å; S29-K32 PolarHBondContact O-N 3.06Å; H30-K32 VanDerWaalsContact C-N 3.34Å; H30-K32 PolarHBondContact O-N 3.41Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-L34 PolarHBondContact O-N 2.95Å; K32-I35 PolarHBondContact O-N 3.34Å; K32-L36 WeakPolarHBondContact O-CB 3.48Å; K32-L36 PolarHBondContact O-N 2.98Å; K32-L36 VanDerWaalsContact O-N 3.13Å; K32-Y46 WeakPolarHBondContact CE-O 3.46Å; K32-Y46 PolarHBondContact NZ-O 3.24Å; K32-S47 VanDerWaalsContact NZ-C 3.29Å; K32-S47 PolarHBondContact NZ-O 3.44Å; K32-L49 HydrophobicContact CD-CD1 4.43Å; K32-L49 HydrophobicContact CG-CD1 4.34Å; K32-I54 HydrophobicContact CB-CD1 4.22Å; K32-I54 HydrophobicContact CB-CG1 4.35Å; K32-I54 HydrophobicContact CB-CG2 4.28Å; K32-I54 HydrophobicContact CD-CD1 4.17Å
33G91.6Very high91.3Very high38 Ų3870.9 Ų70.939%0.39240%0.396SS..Hα-helixtrans-62.5-31.3178.800000113.9S29 H30 L31 P37S29-G33 PolarHBondContact O-N 2.91Å; H30-G33 PolarHBondContact O-N 3.45Å; H30-G33 VanDerWaalsContact O-N 3.12Å; L31-G33 VanDerWaalsContact C-N 3.34Å; L31-G33 PolarHBondContact O-N 3.15Å; G33-P37 WeakPolarHBondContact O-CD 3.45Å; G33-P37 WeakPolarHBondContact O-CG 3.36Å
34L93.5Very high90.4Very high114 Ų11466.7 Ų66.760%0.59740%0.398SS*.Hα-helixtrans-78.7-45.5175.5-68.8172.7000112.5H30 L31 K32 P37 L38H30-L34 WeakPolarHBondContact O-CG 3.41Å; H30-L34 PolarHBondContact O-N 3.31Å; L31-L34 PolarHBondContact O-N 3.01Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-L34 PolarHBondContact O-N 2.95Å; L34-P37 WeakPolarHBondContact O-CD 3.3Å; L34-L38 VanDerWaalsContact O-CD1 3.27Å; L34-L38 WeakPolarHBondContact O-CD1 3.4Å; L34-L38 WeakPolarHBondContact O-CG 3.46Å
35I93.3Very high89.5Confident7 Ų772 Ų724%0.03641%0.414CS..Hα-helixtrans-75-41.1-170.3-66.3-65.5000112L31 K32 L38 V39 M57 T58 F61L31-I35 HydrophobicContact CD1-CD1 4.45Å; L31-I35 HydrophobicContact CD1-CG1 3.89Å; L31-I35 HydrophobicContact CG-CG1 4.24Å; L31-I35 WeakPolarHBondContact O-CB 3.36Å; L31-I35 VanDerWaalsContact O-CG1 3.28Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.32Å; K32-I35 PolarHBondContact O-N 3.34Å; I35-L38 PolarHBondContact O-N 3.41Å; I35-L38 VanDerWaalsContact O-N 3.12Å; I35-V39 HydrophobicContact CG2-CG1 4.11Å; I35-V39 WeakPolarHBondContact O-CG2 3.47Å; I35-V39 PolarHBondContact O-N 2.93Å; I35-M57 HydrophobicContact CG2-CE 4Å; I35-M57 HydrophobicContact CG2-CG 3.76Å; I35-M57 HydrophobicContact CG2-SD 4.25Å; I35-T58 HydrophobicContact CD1-CG2 4.09Å; I35-T58 HydrophobicContact CG1-CG2 4.22Å; I35-F61 HydrophobicContact CD1-CB 4.27Å; I35-F61 HydrophobicContact CD1-CD1 3.53Å; I35-F61 HydrophobicContact CD1-CE1 4.11Å; I35-F61 HydrophobicContact CD1-CG 4.01Å
36L91.1Very high88.9Confident0 Ų071.8 Ų71.80%041%0.409CS..Hα-helixtrans-55-49.9-175.9-123.668.1000113.9K32 L38 V39 G40 K41 N43 Y46 L49 M57K32-L36 WeakPolarHBondContact O-CB 3.48Å; K32-L36 PolarHBondContact O-N 2.98Å; K32-L36 VanDerWaalsContact O-N 3.13Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 PolarHBondContact O-N 2.81Å; L36-V39 WeakPolarHBondContact O-CG2 3.49Å; L36-V39 PolarHBondContact O-N 2.91Å; L36-G40 PolarHBondContact O-N 3.07Å; L36-K41 HydrophobicContact CD1-CB 4.38Å; L36-K41 HydrophobicContact CG-CB 3.91Å; L36-K41 PolarHBondContact O-N 3.4Å; L36-N43 VanDerWaalsContact CD2-CA 3.45Å; L36-N43 HydrophobicContact CD2-CB 4.22Å; L36-N43 WeakPolarHBondContact CD2-OD1 3.45Å; L36-Y46 HydrophobicContact CD1-CD2 4.38Å; L36-Y46 HydrophobicContact CD1-CG 4.14Å; L36-Y46 HydrophobicContact CD2-CD2 4.19Å; L36-Y46 HydrophobicContact CD2-CG 4.25Å; L36-Y46 HydrophobicContact CG-CD2 4.35Å; L36-L49 HydrophobicContact CD1-CD1 3.89Å; L36-M57 HydrophobicContact CD1-CE 3.39Å; L36-M57 HydrophobicContact CD1-SD 4.06Å
37P89.4Confident88.1Confident78 Ų7871.6 Ų71.651%0.50642%0.415SS..Hα-helixtrans-62.3-40.8176.3-23.134.8000112.5G33 L34 V39 G40G33-P37 WeakPolarHBondContact O-CD 3.45Å; G33-P37 WeakPolarHBondContact O-CG 3.36Å; L34-P37 WeakPolarHBondContact O-CD 3.3Å; P37-V39 VanDerWaalsContact C-N 3.26Å; P37-V39 PolarHBondContact O-N 3.47Å; P37-G40 PolarHBondContact O-N 3.48Å; P37-G40 VanDerWaalsContact O-N 3.12Å
38L89.3Confident87.5Confident109 Ų10977.6 Ų77.657%0.57143%0.431SS*.Hα-helixtrans-65.4-29.1-177.9-67.1172.3000112.9L34 I35 L36 F61L34-L38 VanDerWaalsContact O-CD1 3.27Å; L34-L38 WeakPolarHBondContact O-CD1 3.4Å; L34-L38 WeakPolarHBondContact O-CG 3.46Å; I35-L38 PolarHBondContact O-N 3.41Å; I35-L38 VanDerWaalsContact O-N 3.12Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-L38 PolarHBondContact O-N 2.81Å; L38-F61 HydrophobicContact CB-CD2 4.41Å; L38-F61 HydrophobicContact CB-CE2 3.81Å; L38-F61 HydrophobicContact CB-CZ 4.08Å; L38-F61 HydrophobicContact CD1-CE1 4.07Å; L38-F61 HydrophobicContact CD1-CE2 4.32Å; L38-F61 HydrophobicContact CD1-CZ 3.73Å; L38-F61 HydrophobicContact CG-CZ 4.4Å
39V87.5Confident87Confident53 Ų5378.2 Ų78.232%0.32143%0.434SS..THydrogen-bonded Turntrans-97.58.2176.6-55.40000113.3I35 L36 P37 K41 M57 F61I35-V39 HydrophobicContact CG2-CG1 4.11Å; I35-V39 WeakPolarHBondContact O-CG2 3.47Å; I35-V39 PolarHBondContact O-N 2.93Å; L36-V39 WeakPolarHBondContact O-CG2 3.49Å; L36-V39 PolarHBondContact O-N 2.91Å; P37-V39 VanDerWaalsContact C-N 3.26Å; P37-V39 PolarHBondContact O-N 3.47Å; V39-K41 HydrophobicContact CG2-CB 3.94Å; V39-K41 HydrophobicContact CG2-CD 3.63Å; V39-K41 HydrophobicContact CG2-CG 3.83Å; V39-K41 PolarHBondContact O-N 3.26Å; V39-M57 HydrophobicContact CG2-SD 4.03Å; V39-F61 HydrophobicContact CG1-CB 4.19Å; V39-F61 HydrophobicContact CG1-CD2 3.87Å; V39-F61 HydrophobicContact CG1-CG 4.36Å
40G84.8Confident86.9Confident66 Ų6681 Ų8168%0.6844%0.439SS*.THydrogen-bonded Turntrans67.630.917800000114.6L36 P37L36-G40 PolarHBondContact O-N 3.07Å; P37-G40 PolarHBondContact O-N 3.48Å; P37-G40 VanDerWaalsContact O-N 3.12Å
41K85.5Confident86.7Confident72 Ų7280.1 Ų80.131%0.31343%0.434SS..  trans-107.1138.1-178.1-80.1176.5-177.9174.90112.2L36 V39 Y46 M57L36-K41 HydrophobicContact CD1-CB 4.38Å; L36-K41 HydrophobicContact CG-CB 3.91Å; L36-K41 PolarHBondContact O-N 3.4Å; V39-K41 HydrophobicContact CG2-CB 3.94Å; V39-K41 HydrophobicContact CG2-CD 3.63Å; V39-K41 HydrophobicContact CG2-CG 3.83Å; V39-K41 PolarHBondContact O-N 3.26Å; K41-Y46 HydrophobicContact CB-CD2 3.81Å; K41-Y46 HydrophobicContact CB-CE2 3.5Å; K41-Y46 VanDerWaalsContact CB-CE2 3.5Å; K41-Y46 HydrophobicContact CD-CD2 4.41Å; K41-Y46 HydrophobicContact CD-CE1 4.22Å; K41-Y46 HydrophobicContact CD-CE2 3.71Å; K41-Y46 HydrophobicContact CG-CD2 4.38Å; K41-Y46 HydrophobicContact CG-CE2 3.6Å; K41-M57 HydrophobicContact CD-SD 3.72Å; K41-M57 PolarHBondContact NZ-SD 3.11Å; K41-M57 VanDerWaalsContact NZ-SD 3.43Å
42D80Confident86.7Confident86 Ų8680.9 Ų80.946%0.4645%0.446SS..  trans-75.9126.6-175.3-50-57.3000113.8A44 R45 Y46D42-A44 PolarHBondContact O-N 3.33Å; D42-A44 VanDerWaalsContact O-N 3.1Å; D42-R45 PolarHBondContact O-N 2.92Å; D42-R45 IonicContact OD2-CZ 4Å; D42-R45 IonicContact OD2-NE 3.59Å; D42-R45 PolarHBondContact OD2-NE 3.22Å; D42-R45 VanDerWaalsContact OD2-NE 3.07Å; D42-R45 IonicContact OD2-NH2 2.64Å; D42-R45 PolarHBondContact OD2-NH2 2.87Å; D42-Y46 VanDerWaalsContact O-CD2 3.24Å; D42-Y46 WeakPolarHBondContact O-CD2 3.5Å; D42-Y46 PolarHBondContact O-N 3.38Å
43N77.9Confident86.6Confident91 Ų9182 Ų8249%0.48745%0.454SS..THydrogen-bonded Turntrans-53-35.6177.4-79.5-77.3000114.7L36 Y46 S47L36-N43 VanDerWaalsContact CD2-CA 3.45Å; L36-N43 HydrophobicContact CD2-CB 4.22Å; L36-N43 WeakPolarHBondContact CD2-OD1 3.45Å; N43-Y46 PolarHBondContact O-N 3.43Å; N43-S47 PolarHBondContact O-N 3.12Å; N43-S47 VanDerWaalsContact O-N 3.07Å
44A78.6Confident86.7Confident82 Ų8280.8 Ų80.868%0.67844%0.438SS*.THydrogen-bonded Turntrans-64.7-45.7-178.700000112.8D42 Y46 S47D42-A44 PolarHBondContact O-N 3.33Å; D42-A44 VanDerWaalsContact O-N 3.1Å; A44-Y46 VanDerWaalsContact C-N 3.26Å; A44-Y46 PolarHBondContact O-N 2.82Å; A44-S47 WeakPolarHBondContact O-CB 3.45Å; A44-S47 PolarHBondContact O-N 3.43Å; A44-S47 PolarHBondContact O-OG 3.04Å
45R77.7Confident86.9Confident178 Ų17879.6 Ų79.667%0.67243%0.433SS*.THydrogen-bonded Turntrans-70.5-24.6-178.5-67.2-163.2-70158.2-3.9113D42D42-R45 PolarHBondContact O-N 2.92Å; D42-R45 IonicContact OD2-CZ 4Å; D42-R45 IonicContact OD2-NE 3.59Å; D42-R45 PolarHBondContact OD2-NE 3.22Å; D42-R45 VanDerWaalsContact OD2-NE 3.07Å; D42-R45 IonicContact OD2-NH2 2.64Å; D42-R45 PolarHBondContact OD2-NH2 2.87Å
46Y81.8Confident86.9Confident58 Ų5885.2 Ų85.223%0.22746%0.458CS..THydrogen-bonded Turntrans-107.412.2-177.1-68.2-74.6000113K32 L36 K41 D42 N43 A44 K48 L49K32-Y46 WeakPolarHBondContact CE-O 3.46Å; K32-Y46 PolarHBondContact NZ-O 3.24Å; L36-Y46 HydrophobicContact CD1-CD2 4.38Å; L36-Y46 HydrophobicContact CD1-CG 4.14Å; L36-Y46 HydrophobicContact CD2-CD2 4.19Å; L36-Y46 HydrophobicContact CD2-CG 4.25Å; L36-Y46 HydrophobicContact CG-CD2 4.35Å; K41-Y46 HydrophobicContact CB-CD2 3.81Å; K41-Y46 HydrophobicContact CB-CE2 3.5Å; K41-Y46 VanDerWaalsContact CB-CE2 3.5Å; K41-Y46 HydrophobicContact CD-CD2 4.41Å; K41-Y46 HydrophobicContact CD-CE1 4.22Å; K41-Y46 HydrophobicContact CD-CE2 3.71Å; K41-Y46 HydrophobicContact CG-CD2 4.38Å; K41-Y46 HydrophobicContact CG-CE2 3.6Å; D42-Y46 VanDerWaalsContact O-CD2 3.24Å; D42-Y46 WeakPolarHBondContact O-CD2 3.5Å; D42-Y46 PolarHBondContact O-N 3.38Å; N43-Y46 PolarHBondContact O-N 3.43Å; A44-Y46 VanDerWaalsContact C-N 3.26Å; A44-Y46 PolarHBondContact O-N 2.82Å; Y46-K48 PolarHBondContact O-N 2.96Å; Y46-L49 HydrophobicContact CD1-CD1 3.87Å; Y46-L49 HydrophobicContact CD1-CD2 3.78Å; Y46-L49 HydrophobicContact CD1-CG 3.78Å; Y46-L49 HydrophobicContact CE1-CD2 4.48Å; Y46-L49 HydrophobicContact CG-CD1 4.1Å; Y46-L49 HydrophobicContact CG-CG 4.3Å; Y46-L49 WeakPolarHBondContact O-CG 3.42Å; Y46-L49 PolarHBondContact O-N 3.09Å
47S80.6Confident87Confident85 Ų8586 Ų8659%0.59446%0.462SS*.THydrogen-bonded Turntrans-52.1-30.2177.253.60000113.1K32 N43 A44K32-S47 VanDerWaalsContact NZ-C 3.29Å; K32-S47 PolarHBondContact NZ-O 3.44Å; N43-S47 PolarHBondContact O-N 3.12Å; N43-S47 VanDerWaalsContact O-N 3.07Å; A44-S47 WeakPolarHBondContact O-CB 3.45Å; A44-S47 PolarHBondContact O-N 3.43Å; A44-S47 PolarHBondContact O-OG 3.04Å
48K83.2Confident87.3Confident198 Ų19882.9 Ų82.986%0.86144%0.442SS*.THydrogen-bonded Turntrans-108.820.8-177.2-127.7178.6-172.1-179.70116.3Y46 E50Y46-K48 PolarHBondContact O-N 2.96Å; K48-E50 PolarHBondContact O-N 2.93Å
49L84.5Confident87.6Confident34 Ų3481.5 Ų81.518%0.17844%0.438CS..  trans-50.8136.5178.5-87.6169000113.4K32 L36 Y46 D53 I54 M57K32-L49 HydrophobicContact CD-CD1 4.43Å; K32-L49 HydrophobicContact CG-CD1 4.34Å; L36-L49 HydrophobicContact CD1-CD1 3.89Å; Y46-L49 HydrophobicContact CD1-CD1 3.87Å; Y46-L49 HydrophobicContact CD1-CD2 3.78Å; Y46-L49 HydrophobicContact CD1-CG 3.78Å; Y46-L49 HydrophobicContact CE1-CD2 4.48Å; Y46-L49 HydrophobicContact CG-CD1 4.1Å; Y46-L49 HydrophobicContact CG-CG 4.3Å; Y46-L49 WeakPolarHBondContact O-CG 3.42Å; Y46-L49 PolarHBondContact O-N 3.09Å; L49-D53 HydrophobicContact CD2-CB 3.48Å; L49-D53 VanDerWaalsContact CD2-CB 3.48Å; L49-I54 HydrophobicContact CB-CD1 4.35Å; L49-I54 HydrophobicContact CB-CG1 3.91Å; L49-I54 HydrophobicContact CD1-CG1 4.25Å; L49-M57 HydrophobicContact CD1-CE 3.86Å
50E91.6Very high87.8Confident134 Ų13486.1 Ų86.163%0.62645%0.449SS*.  trans-71.8159.4171.5-59.2-163.5159.400111.1K48 A52 D53 I54K48-E50 PolarHBondContact O-N 2.93Å; E50-A52 VanDerWaalsContact C-N 3.27Å; E50-A52 PolarHBondContact O-N 3.26Å; E50-D53 WeakPolarHBondContact CB-OD2 3.34Å; E50-D53 PolarHBondContact N-OD2 3.06Å; E50-D53 PolarHBondContact O-N 3.34Å; E50-I54 WeakPolarHBondContact O-CG1 3.5Å; E50-I54 PolarHBondContact O-N 3.22Å; E50-I54 VanDerWaalsContact O-N 3.12Å
51K91.6Very high88.2Confident117 Ų11785 Ų8551%0.50943%0.426SS..Hα-helixtrans-62.7-35.9179.7-66.9-174.5171.1-175.90112.3N25 L28 L55N25-K51 WeakPolarHBondContact OD1-CE 3.49Å; N25-K51 PolarHBondContact OD1-NZ 2.87Å; L28-K51 HydrophobicContact CD1-CB 4.37Å; L28-K51 HydrophobicContact CD1-CD 3.89Å; L28-K51 HydrophobicContact CD1-CG 3.98Å; K51-L55 WeakPolarHBondContact O-CG 3.4Å; K51-L55 PolarHBondContact O-N 3.36Å
52A94.2Very high88.5Confident61 Ų6186.6 Ų86.650%0.50444%0.437SS..Hα-helixtrans-64.3-47177.100000110.6E50 I54 L55 E56E50-A52 VanDerWaalsContact C-N 3.27Å; E50-A52 PolarHBondContact O-N 3.26Å; A52-I54 PolarHBondContact O-N 3.05Å; A52-L55 PolarHBondContact O-N 3.44Å; A52-L55 VanDerWaalsContact O-N 3.11Å; A52-E56 WeakPolarHBondContact O-CB 3.48Å; A52-E56 PolarHBondContact O-N 3.25Å
53D92.1Very high88.9Confident62 Ų6292.2 Ų92.233%0.33245%0.452SS..Hα-helixtrans-61.2-41179.4-55.6-26.8000113L49 E50 L55 E56 M57L49-D53 HydrophobicContact CD2-CB 3.48Å; L49-D53 VanDerWaalsContact CD2-CB 3.48Å; E50-D53 WeakPolarHBondContact CB-OD2 3.34Å; E50-D53 PolarHBondContact N-OD2 3.06Å; E50-D53 PolarHBondContact O-N 3.34Å; D53-L55 VanDerWaalsContact C-N 3.29Å; D53-L55 PolarHBondContact O-N 3.12Å; D53-E56 PolarHBondContact O-N 3.25Å; D53-M57 WeakPolarHBondContact O-CB 3.25Å; D53-M57 PolarHBondContact O-N 3.4Å
54I93.4Very high89.4Confident11 Ų1193.2 Ų93.26%0.05646%0.457CS..Hα-helixtrans-58.3-46.4175.6-65.3168.2000109.7L28 L31 K32 L49 E50 A52 T58L28-I54 HydrophobicContact CD2-CG2 4.23Å; L31-I54 HydrophobicContact CD2-CG2 4.22Å; L31-I54 HydrophobicContact CG-CG2 4.37Å; K32-I54 HydrophobicContact CB-CD1 4.22Å; K32-I54 HydrophobicContact CB-CG1 4.35Å; K32-I54 HydrophobicContact CB-CG2 4.28Å; K32-I54 HydrophobicContact CD-CD1 4.17Å; L49-I54 HydrophobicContact CB-CD1 4.35Å; L49-I54 HydrophobicContact CB-CG1 3.91Å; L49-I54 HydrophobicContact CD1-CG1 4.25Å; E50-I54 WeakPolarHBondContact O-CG1 3.5Å; E50-I54 PolarHBondContact O-N 3.22Å; E50-I54 VanDerWaalsContact O-N 3.12Å; A52-I54 PolarHBondContact O-N 3.05Å; I54-T58 WeakPolarHBondContact O-CB 3.25Å; I54-T58 PolarHBondContact O-N 2.79Å; I54-T58 VanDerWaalsContact O-N 3.09Å; I54-T58 PolarHBondContact O-OG1 3.06Å
55L96.3Very high89.8Confident90 Ų9093 Ų9347%0.47144%0.444SS..Hα-helixtrans-68.7-44.6-179.5-67.4174.2000111.7L28 L31 K51 A52 D53 T58 V59L28-L55 HydrophobicContact CD2-CD2 3.8Å; L28-L55 HydrophobicContact CD2-CG 4.11Å; L31-L55 HydrophobicContact CD2-CD2 4.41Å; K51-L55 WeakPolarHBondContact O-CG 3.4Å; K51-L55 PolarHBondContact O-N 3.36Å; A52-L55 PolarHBondContact O-N 3.44Å; A52-L55 VanDerWaalsContact O-N 3.11Å; D53-L55 VanDerWaalsContact C-N 3.29Å; D53-L55 PolarHBondContact O-N 3.12Å; L55-T58 WeakPolarHBondContact O-CB 3.48Å; L55-T58 PolarHBondContact O-N 3.24Å; L55-V59 VanDerWaalsContact O-CG2 3.3Å; L55-V59 WeakPolarHBondContact O-CG2 2.92Å; L55-V59 PolarHBondContact O-N 2.93Å
56E94.6Very high89.8Confident124 Ų12489.9 Ų89.958%0.57945%0.447SS*.Hα-helixtrans-61.6-47.9179.5-178.3173-164.900111.5A52 D53 T58 V59 R60A52-E56 WeakPolarHBondContact O-CB 3.48Å; A52-E56 PolarHBondContact O-N 3.25Å; D53-E56 PolarHBondContact O-N 3.25Å; E56-T58 VanDerWaalsContact C-N 3.29Å; E56-T58 PolarHBondContact O-N 3.06Å; E56-V59 PolarHBondContact O-N 2.9Å; E56-R60 WeakPolarHBondContact O-CB 3.02Å; E56-R60 WeakPolarHBondContact O-CG 3.35Å; E56-R60 PolarHBondContact O-N 3.01Å
57M93.4Very high89.1Confident16 Ų1692.1 Ų92.18%0.07947%0.471CS..Hα-helixtrans-61.3-39.4177-175.9170.455.200111.9I35 L36 V39 K41 L49 D53 F61I35-M57 HydrophobicContact CG2-CE 4Å; I35-M57 HydrophobicContact CG2-CG 3.76Å; I35-M57 HydrophobicContact CG2-SD 4.25Å; L36-M57 HydrophobicContact CD1-CE 3.39Å; L36-M57 HydrophobicContact CD1-SD 4.06Å; V39-M57 HydrophobicContact CG2-SD 4.03Å; K41-M57 HydrophobicContact CD-SD 3.72Å; K41-M57 PolarHBondContact NZ-SD 3.11Å; K41-M57 VanDerWaalsContact NZ-SD 3.43Å; L49-M57 HydrophobicContact CD1-CE 3.86Å; D53-M57 WeakPolarHBondContact O-CB 3.25Å; D53-M57 PolarHBondContact O-N 3.4Å; M57-F61 WeakPolarHBondContact O-CB 3.45Å; M57-F61 PolarHBondContact O-N 3.05Å
58T94.9Very high88Confident13 Ų1392.3 Ų92.38%0.0847%0.473CS..Hα-helixtrans-62.9-48.5174.6-57.50000111.2L31 I35 I54 L55 E56 R60 F61 L62L31-T58 HydrophobicContact CD1-CG2 3.73Å; L31-T58 HydrophobicContact CD2-CG2 3.96Å; L31-T58 WeakPolarHBondContact CD2-OG1 3.32Å; L31-T58 HydrophobicContact CG-CG2 4.15Å; L31-T58 WeakPolarHBondContact CG-OG1 3.24Å; I35-T58 HydrophobicContact CD1-CG2 4.09Å; I35-T58 HydrophobicContact CG1-CG2 4.22Å; I54-T58 WeakPolarHBondContact O-CB 3.25Å; I54-T58 PolarHBondContact O-N 2.79Å; I54-T58 VanDerWaalsContact O-N 3.09Å; I54-T58 PolarHBondContact O-OG1 3.06Å; L55-T58 WeakPolarHBondContact O-CB 3.48Å; L55-T58 PolarHBondContact O-N 3.24Å; E56-T58 VanDerWaalsContact C-N 3.29Å; E56-T58 PolarHBondContact O-N 3.06Å; T58-R60 VanDerWaalsContact C-N 3.32Å; T58-R60 PolarHBondContact O-N 2.94Å; T58-F61 WeakPolarHBondContact O-CB 3.24Å; T58-F61 PolarHBondContact O-N 3.13Å; T58-L62 HydrophobicContact CG2-CD1 4.08Å; T58-L62 HydrophobicContact CG2-CG 4.41Å; T58-L62 WeakPolarHBondContact O-CG 3.31Å; T58-L62 PolarHBondContact O-N 2.97Å
59V95.1Very high86.8Confident81 Ų8187.6 Ų87.649%0.49146%0.462SS..Hα-helixtrans-61.8-43.4-179.61690000110.4L55 E56 L62 R63L55-V59 VanDerWaalsContact O-CG2 3.3Å; L55-V59 WeakPolarHBondContact O-CG2 2.92Å; L55-V59 PolarHBondContact O-N 2.93Å; E56-V59 PolarHBondContact O-N 2.9Å; V59-L62 PolarHBondContact O-N 3.39Å; V59-R63 HydrophobicContact CG1-CG 4.45Å; V59-R63 VanDerWaalsContact O-CG 3.31Å; V59-R63 WeakPolarHBondContact O-CG 3.48Å; V59-R63 PolarHBondContact O-N 3.38Å
60R92.8Very high85.5Confident149 Ų14992.1 Ų92.156%0.56249%0.491SS*.Hα-helixtrans-56.9-52.1173.4-77.5-177.45210417111.5E56 T58 L62 R63 D64E56-R60 WeakPolarHBondContact O-CB 3.02Å; E56-R60 WeakPolarHBondContact O-CG 3.35Å; E56-R60 PolarHBondContact O-N 3.01Å; T58-R60 VanDerWaalsContact C-N 3.32Å; T58-R60 PolarHBondContact O-N 2.94Å; R60-L62 VanDerWaalsContact C-N 3.31Å; R60-L62 PolarHBondContact O-N 2.7Å; R60-R63 PolarHBondContact O-N 3.04Å; R60-R63 VanDerWaalsContact O-N 3.08Å; R60-D64 IonicContact NH2-OD2 3.65Å; R60-D64 WeakPolarHBondContact O-CB 3.13Å; R60-D64 PolarHBondContact O-N 3.48Å
61F91.8Very high83.8Confident44 Ų4491 Ų9119%0.19349%0.485CS..Hα-helixtrans-53.7-47.9177.3171.8-100.2000111.9I35 L38 V39 M57 T58 R63 D64 L65I35-F61 HydrophobicContact CD1-CB 4.27Å; I35-F61 HydrophobicContact CD1-CD1 3.53Å; I35-F61 HydrophobicContact CD1-CE1 4.11Å; I35-F61 HydrophobicContact CD1-CG 4.01Å; L38-F61 HydrophobicContact CB-CD2 4.41Å; L38-F61 HydrophobicContact CB-CE2 3.81Å; L38-F61 HydrophobicContact CB-CZ 4.08Å; L38-F61 HydrophobicContact CD1-CE1 4.07Å; L38-F61 HydrophobicContact CD1-CE2 4.32Å; L38-F61 HydrophobicContact CD1-CZ 3.73Å; L38-F61 HydrophobicContact CG-CZ 4.4Å; V39-F61 HydrophobicContact CG1-CB 4.19Å; V39-F61 HydrophobicContact CG1-CD2 3.87Å; V39-F61 HydrophobicContact CG1-CG 4.36Å; M57-F61 WeakPolarHBondContact O-CB 3.45Å; M57-F61 PolarHBondContact O-N 3.05Å; T58-F61 WeakPolarHBondContact O-CB 3.24Å; T58-F61 PolarHBondContact O-N 3.13Å; F61-R63 VanDerWaalsContact C-N 3.3Å; F61-R63 PolarHBondContact O-N 3.03Å; F61-D64 PolarHBondContact O-N 3.08Å; F61-L65 HydrophobicContact CD1-CD1 4.49Å; F61-L65 HydrophobicContact CE1-CD1 3.95Å; F61-L65 HydrophobicContact CE1-CD2 4.15Å; F61-L65 HydrophobicContact CE1-CG 4.12Å; F61-L65 HydrophobicContact CE2-CD2 4.16Å; F61-L65 HydrophobicContact CZ-CD1 4.37Å; F61-L65 HydrophobicContact CZ-CD2 3.73Å; F61-L65 HydrophobicContact CZ-CG 4.18Å; F61-L65 WeakPolarHBondContact O-CG 2.96Å; F61-L65 PolarHBondContact O-N 3.25Å
62L91.9Very high82.5Confident104 Ų10490.7 Ų90.755%0.54549%0.488SS..Hα-helixtrans-65.8-29.6179.7-67.7176000113.8T58 V59 R60 L65T58-L62 HydrophobicContact CG2-CD1 4.08Å; T58-L62 HydrophobicContact CG2-CG 4.41Å; T58-L62 WeakPolarHBondContact O-CG 3.31Å; T58-L62 PolarHBondContact O-N 2.97Å; V59-L62 PolarHBondContact O-N 3.39Å; R60-L62 VanDerWaalsContact C-N 3.31Å; R60-L62 PolarHBondContact O-N 2.7Å; L62-L65 HydrophobicContact CD2-CD1 3.89Å
63R89.1Confident81.3Confident204 Ų20492.7 Ų92.777%0.7750%0.498SS*.Hα-helixtrans-77.3-32.3175-73-178.969.2-168.70.2112.5V59 R60 F61 L65V59-R63 HydrophobicContact CG1-CG 4.45Å; V59-R63 VanDerWaalsContact O-CG 3.31Å; V59-R63 WeakPolarHBondContact O-CG 3.48Å; V59-R63 PolarHBondContact O-N 3.38Å; R60-R63 PolarHBondContact O-N 3.04Å; R60-R63 VanDerWaalsContact O-N 3.08Å; F61-R63 VanDerWaalsContact C-N 3.3Å; F61-R63 PolarHBondContact O-N 3.03Å; R63-L65 VanDerWaalsContact C-N 3.33Å
64D87.8Confident80.3Confident112 Ų11292.3 Ų92.360%0.59950%0.504SS*.Hα-helixtrans-81.2-17.7179.1-63.3-16.9000111.5R60 F61R60-D64 IonicContact NH2-OD2 3.65Å; R60-D64 WeakPolarHBondContact O-CB 3.13Å; R60-D64 PolarHBondContact O-N 3.48Å; F61-D64 PolarHBondContact O-N 3.08Å
65L86.9Confident79.4Confident77 Ų7795.2 Ų95.240%0.40352%0.519SS..SBendtrans-56132.4167-74.1178.1000108.2F61 L62 R63 S67F61-L65 HydrophobicContact CD1-CD1 4.49Å; F61-L65 HydrophobicContact CE1-CD1 3.95Å; F61-L65 HydrophobicContact CE1-CD2 4.15Å; F61-L65 HydrophobicContact CE1-CG 4.12Å; F61-L65 HydrophobicContact CE2-CD2 4.16Å; F61-L65 HydrophobicContact CZ-CD1 4.37Å; F61-L65 HydrophobicContact CZ-CD2 3.73Å; F61-L65 HydrophobicContact CZ-CG 4.18Å; F61-L65 WeakPolarHBondContact O-CG 2.96Å; F61-L65 PolarHBondContact O-N 3.25Å; L62-L65 HydrophobicContact CD2-CD1 3.89Å; R63-L65 VanDerWaalsContact C-N 3.33Å; L65-S67 PolarHBondContact O-N 2.95Å
66P78.6Confident78.6Confident113 Ų11394 Ų9473%0.73452%0.519SS*.  trans-53.6125.517023.1-30.3000105.7S68P66-S68 VanDerWaalsContact C-N 3.26Å; P66-S68 PolarHBondContact O-N 3.1Å
67S67.1Low78Confident105 Ų10591.9 Ų91.973%0.73451%0.506SS*.  trans-51.6109.4164.9-177.80000103.3L65 P69L65-S67 PolarHBondContact O-N 2.95Å; S67-P69 WeakPolarHBondContact O-CD 3.44Å
68S57.2Low77.5Confident90 Ų9096.7 Ų96.763%0.62952%0.523SS*.  trans-45.4123.1161.2173.80000102.1P66 V70P66-S68 VanDerWaalsContact C-N 3.26Å; P66-S68 PolarHBondContact O-N 3.1Å; S68-V70 PolarHBondContact O-N 2.89Å
69P58.3Low77Confident98 Ų98101.4 Ų101.464%0.63654%0.544SS*.  trans-50.7116162.922.1-28.2000101.6S67 K71S67-P69 WeakPolarHBondContact O-CD 3.44Å; P69-K71 PolarHBondContact O-N 3.14Å
70V58.1Low76.5Confident129 Ų12999.5 Ų99.578%0.78254%0.541SS*.  trans-56.795159.2178.1000099S68 D72S68-V70 PolarHBondContact O-N 2.89Å; V70-D72 VanDerWaalsContact C-N 3.31Å; V70-D72 PolarHBondContact O-N 3.11Å
71K55.8Low76.2Confident112 Ų11295.2 Ų95.249%0.48753%0.526SS..  trans-49.5113.1-174.4-103-175.2175.4-176.50101.3P69 S73 E79P69-K71 PolarHBondContact O-N 3.14Å; K71-S73 PolarHBondContact O-N 3.44Å; K71-S73 VanDerWaalsContact O-N 3.12Å; K71-E79 IonicContact NZ-OE1 2.72Å; K71-E79 IonicContact NZ-OE2 3.46Å; K71-E79 PolarHBondContact NZ-OE2 3.21Å
72D63.5Low76.1Confident110 Ų11098.3 Ų98.359%0.58854%0.539SS*.  trans-49.5134.1-174.1-108.6-46.1000104.5V70 A74 D75 S76V70-D72 VanDerWaalsContact C-N 3.31Å; V70-D72 PolarHBondContact O-N 3.11Å; D72-A74 HydrophobicContact CB-CB 4.44Å; D72-A74 CarbonylContact O-C 3.44Å; D72-A74 PolarHBondContact O-N 2.91Å; D72-D75 WeakPolarHBondContact O-CA 3.45Å; D72-D75 PolarHBondContact O-N 3.01Å; D72-S76 PolarHBondContact O-N 3.29Å; D72-S76 VanDerWaalsContact O-N 3.1Å
73S68.3Low76Confident102 Ų10295.9 Ų95.971%0.71353%0.534SS*.Hα-helixtrans-51.9-28-17554.10000110.8K71 Y77K71-S73 PolarHBondContact O-N 3.44Å; K71-S73 VanDerWaalsContact O-N 3.12Å; S73-Y77 VanDerWaalsContact O-CB 3.25Å; S73-Y77 WeakPolarHBondContact O-CB 3.47Å; S73-Y77 PolarHBondContact O-N 3.25Å
74A71.9Confident76.2Confident54 Ų5489.5 Ų89.545%0.44652%0.52SS..Hα-helixtrans-58.7-47.2166.600000115D72 Y77 R78D72-A74 HydrophobicContact CB-CB 4.44Å; D72-A74 CarbonylContact O-C 3.44Å; D72-A74 PolarHBondContact O-N 2.91Å; A74-Y77 PolarHBondContact O-N 2.98Å; A74-R78 WeakPolarHBondContact O-CB 3.34Å; A74-R78 WeakPolarHBondContact O-CG 3.42Å; A74-R78 PolarHBondContact O-N 3.38Å
75D74.2Confident76.4Confident72 Ų7285.2 Ų85.239%0.38550%0.497SS..Hα-helixtrans-69.6-41.1178.6-79.5-29.9000113D72 Y77 R78 E79D72-D75 WeakPolarHBondContact O-CA 3.45Å; D72-D75 PolarHBondContact O-N 3.01Å; D75-Y77 VanDerWaalsContact C-N 3.29Å; D75-Y77 PolarHBondContact O-N 2.95Å; D75-R78 PolarHBondContact O-N 3.45Å; D75-R78 IonicContact OD1-CZ 3.95Å; D75-R78 IonicContact OD1-NH1 2.87Å; D75-R78 PolarHBondContact OD1-NH1 3.44Å; D75-E79 WeakPolarHBondContact O-CB 3.1Å; D75-E79 PolarHBondContact O-N 3.05Å
76S79.2Confident76.6Confident65 Ų6587 Ų8746%0.45550%0.503SS..Hα-helixtrans-63.9-37.6173.3-1740000111.6D72 G80D72-S76 PolarHBondContact O-N 3.29Å; D72-S76 VanDerWaalsContact O-N 3.1Å; S76-G80 PolarHBondContact O-N 3.02Å; S76-G80 VanDerWaalsContact O-N 3.11Å
77Y82.8Confident77.3Confident79 Ų7990.6 Ų90.631%0.3150%0.502SS..Hα-helixtrans-66.2-45.6174.4173.6-97.5000111.8S73 A74 D75 E79 G80 Y81 C121S73-Y77 VanDerWaalsContact O-CB 3.25Å; S73-Y77 WeakPolarHBondContact O-CB 3.47Å; S73-Y77 PolarHBondContact O-N 3.25Å; A74-Y77 PolarHBondContact O-N 2.98Å; D75-Y77 VanDerWaalsContact C-N 3.29Å; D75-Y77 PolarHBondContact O-N 2.95Å; Y77-E79 VanDerWaalsContact C-N 3.32Å; Y77-E79 PolarHBondContact O-N 2.91Å; Y77-G80 PolarHBondContact O-N 3.49Å; Y77-Y81 VanDerWaalsContact O-CB 3.32Å; Y77-Y81 WeakPolarHBondContact O-CB 3.44Å; Y77-Y81 PolarHBondContact O-N 2.73Å; Y77-C121 VanDerWaalsContact OH-CB 3.25Å; Y77-C121 WeakPolarHBondContact OH-CB 3.31Å
78R81.9Confident78.6Confident118 Ų11888.4 Ų88.445%0.44548%0.484SS..Hα-helixtrans-57.4-45.7177.9-80.8173.566.8-101.4-9.2112A74 D75 Y81 K82 T118A74-R78 WeakPolarHBondContact O-CB 3.34Å; A74-R78 WeakPolarHBondContact O-CG 3.42Å; A74-R78 PolarHBondContact O-N 3.38Å; D75-R78 PolarHBondContact O-N 3.45Å; D75-R78 IonicContact OD1-CZ 3.95Å; D75-R78 IonicContact OD1-NH1 2.87Å; D75-R78 PolarHBondContact OD1-NH1 3.44Å; R78-Y81 PolarHBondContact O-N 3.4Å; R78-K82 WeakPolarHBondContact O-CB 3.48Å; R78-K82 PolarHBondContact O-N 3.21Å; R78-T118 HydrophobicContact CG-CG2 3.36Å
79E84.3Confident80.2Confident111 Ų11185.5 Ų85.552%0.51946%0.464SS..Hα-helixtrans-63.4-45.4177.4-169.2175.3-164.700111.5K71 D75 Y77 K82 A83K71-E79 IonicContact NZ-OE1 2.72Å; K71-E79 IonicContact NZ-OE2 3.46Å; K71-E79 PolarHBondContact NZ-OE2 3.21Å; D75-E79 WeakPolarHBondContact O-CB 3.1Å; D75-E79 PolarHBondContact O-N 3.05Å; Y77-E79 VanDerWaalsContact C-N 3.32Å; Y77-E79 PolarHBondContact O-N 2.91Å; E79-K82 PolarHBondContact O-N 3.1Å; E79-A83 WeakPolarHBondContact O-CB 3.21Å; E79-A83 PolarHBondContact O-N 3.07Å
80G85.8Confident81.9Confident42 Ų4283.9 Ų83.943%0.43346%0.459SS..Hα-helixtrans-64.3-39.6176.100000113.6S76 Y77 A83 C84S76-G80 PolarHBondContact O-N 3.02Å; S76-G80 VanDerWaalsContact O-N 3.11Å; Y77-G80 PolarHBondContact O-N 3.49Å; G80-A83 PolarHBondContact O-N 3.13Å; G80-C84 WeakPolarHBondContact O-CB 3.35Å; G80-C84 PolarHBondContact O-N 3.12Å
81Y86.6Confident83.5Confident59 Ų5981.9 Ų81.923%0.23144%0.443CS..Hα-helixtrans-64.7-44.7176.1-179.4-108.7000111.6Y77 R78 C84 L85 T112 M113 P119Y77-Y81 VanDerWaalsContact O-CB 3.32Å; Y77-Y81 WeakPolarHBondContact O-CB 3.44Å; Y77-Y81 PolarHBondContact O-N 2.73Å; R78-Y81 PolarHBondContact O-N 3.4Å; Y81-C84 WeakPolarHBondContact O-CB 3.27Å; Y81-C84 PolarHBondContact O-N 3.06Å; Y81-L85 HydrophobicContact CD1-CD1 4.31Å; Y81-L85 HydrophobicContact CE1-CD1 3.59Å; Y81-L85 HydrophobicContact CE1-CG 4.24Å; Y81-L85 HydrophobicContact CE2-CD1 4.34Å; Y81-L85 HydrophobicContact CE2-CD2 4.42Å; Y81-L85 HydrophobicContact CE2-CG 4.31Å; Y81-L85 PolarHBondContact O-N 3.33Å; Y81-T112 HydrophobicContact CE1-CG2 4.04Å; Y81-M113 HydrophobicContact CD1-CE 3.94Å; Y81-M113 HydrophobicContact CE1-CE 3.94Å; Y81-P119 HydrophobicContact CE1-CG 4.22Å
82K88.9Confident85.2Confident108 Ų10877.1 Ų77.147%0.4742%0.423SS..Hα-helixtrans-59.6-47.3174.1174.2161.7-169.5-177.30112R78 E79 C84 L85 Q86 M113R78-K82 WeakPolarHBondContact O-CB 3.48Å; R78-K82 PolarHBondContact O-N 3.21Å; E79-K82 PolarHBondContact O-N 3.1Å; K82-C84 VanDerWaalsContact C-N 3.29Å; K82-C84 PolarHBondContact O-N 3.28Å; K82-L85 PolarHBondContact O-N 3.35Å; K82-Q86 WeakPolarHBondContact O-CG 3.4Å; K82-Q86 PolarHBondContact O-N 3.12Å; K82-M113 HydrophobicContact CB-CE 4.1Å; K82-M113 HydrophobicContact CB-SD 3.75Å; K82-M113 HydrophobicContact CD-SD 3.94Å; K82-M113 HydrophobicContact CG-CE 4.47Å; K82-M113 HydrophobicContact CG-SD 3.47Å; K82-M113 WeakPolarHBondContact CG-SD 3.48Å
83A90.6Very high86.3Confident54 Ų5476.8 Ų76.845%0.44643%0.427SS..Hα-helixtrans-60.5-39.3177.400000112.1E79 G80 R87E79-A83 WeakPolarHBondContact O-CB 3.21Å; E79-A83 PolarHBondContact O-N 3.07Å; G80-A83 PolarHBondContact O-N 3.13Å; A83-R87 WeakPolarHBondContact O-CB 3.39Å; A83-R87 PolarHBondContact O-N 3.3Å
84C92.4Very high87.3Confident70 Ų7080.1 Ų80.147%0.47343%0.429SS..Hα-helixtrans-61.3-51.8175-176.80000111.7G80 Y81 K82 Q86 R87 V88G80-C84 WeakPolarHBondContact O-CB 3.35Å; G80-C84 PolarHBondContact O-N 3.12Å; Y81-C84 WeakPolarHBondContact O-CB 3.27Å; Y81-C84 PolarHBondContact O-N 3.06Å; K82-C84 VanDerWaalsContact C-N 3.29Å; K82-C84 PolarHBondContact O-N 3.28Å; C84-Q86 VanDerWaalsContact C-N 3.33Å; C84-Q86 PolarHBondContact O-N 2.9Å; C84-R87 WeakPolarHBondContact O-CA 3.34Å; C84-R87 WeakPolarHBondContact O-CB 3.44Å; C84-R87 PolarHBondContact O-N 3.43Å; C84-V88 WeakPolarHBondContact O-CG2 3.45Å; C84-V88 PolarHBondContact O-N 3.34Å
85L92.2Very high88.1Confident21 Ų2180.3 Ų80.311%0.1142%0.424CS..Hα-helixtrans-63.1-38.1-179.1-68.9-168000112.6Y81 K82 R87 V88 S89 I109 T112 M113Y81-L85 HydrophobicContact CD1-CD1 4.31Å; Y81-L85 HydrophobicContact CE1-CD1 3.59Å; Y81-L85 HydrophobicContact CE1-CG 4.24Å; Y81-L85 HydrophobicContact CE2-CD1 4.34Å; Y81-L85 HydrophobicContact CE2-CD2 4.42Å; Y81-L85 HydrophobicContact CE2-CG 4.31Å; Y81-L85 PolarHBondContact O-N 3.33Å; K82-L85 PolarHBondContact O-N 3.35Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 2.67Å; L85-V88 PolarHBondContact O-N 3.37Å; L85-S89 PolarHBondContact O-N 3.42Å; L85-I109 HydrophobicContact CB-CG2 3.88Å; L85-I109 HydrophobicContact CD1-CG2 4.49Å; L85-I109 HydrophobicContact CD2-CG1 4.37Å; L85-T112 HydrophobicContact CD1-CG2 4.11Å; L85-M113 HydrophobicContact CB-CE 4.09Å; L85-M113 HydrophobicContact CD1-CE 3.29Å; L85-M113 HydrophobicContact CG-CE 4.02Å
86Q92Very high88.8Confident116 Ų11683.2 Ų83.254%0.54245%0.45SS..Hα-helixtrans-60.8-40.6172.5-73-177.9-48.900112K82 C84 S89 A90K82-Q86 WeakPolarHBondContact O-CG 3.4Å; K82-Q86 PolarHBondContact O-N 3.12Å; C84-Q86 VanDerWaalsContact C-N 3.33Å; C84-Q86 PolarHBondContact O-N 2.9Å; Q86-S89 PolarHBondContact O-N 3.11Å; Q86-A90 PolarHBondContact O-N 3.39Å
87R93.3Very high89.2Confident187 Ų18784.4 Ų84.471%0.70645%0.451SS*.Hα-helixtrans-66.5-40.9177.3-165.1172.7-174.1115.5-1.6111.9A83 C84 L85 S89 A90 L91A83-R87 WeakPolarHBondContact O-CB 3.39Å; A83-R87 PolarHBondContact O-N 3.3Å; C84-R87 WeakPolarHBondContact O-CA 3.34Å; C84-R87 WeakPolarHBondContact O-CB 3.44Å; C84-R87 PolarHBondContact O-N 3.43Å; L85-R87 VanDerWaalsContact C-N 3.3Å; L85-R87 PolarHBondContact O-N 2.67Å; R87-S89 VanDerWaalsContact C-N 3.35Å; R87-A90 PolarHBondContact O-N 3.47Å; R87-L91 HydrophobicContact CG-CD1 4.29Å; R87-L91 WeakPolarHBondContact O-CG 3.36Å; R87-L91 PolarHBondContact O-N 3.17Å; R87-L91 VanDerWaalsContact O-N 3.12Å
88V93.3Very high89.6Confident59 Ų5985.3 Ų85.336%0.35846%0.461SS..Hα-helixtrans-59.7-47.7173.4174.30000110.1C84 L85 A90 L91 L92 I109C84-V88 WeakPolarHBondContact O-CG2 3.45Å; C84-V88 PolarHBondContact O-N 3.34Å; L85-V88 PolarHBondContact O-N 3.37Å; V88-A90 VanDerWaalsContact C-N 3.25Å; V88-A90 PolarHBondContact O-N 3.42Å; V88-L91 PolarHBondContact O-N 3.43Å; V88-L92 HydrophobicContact CG1-CD1 4.34Å; V88-L92 HydrophobicContact CG1-CG 4.31Å; V88-L92 WeakPolarHBondContact O-CG 3.42Å; V88-L92 PolarHBondContact O-N 2.92Å; V88-I109 HydrophobicContact CB-CD1 4.25Å; V88-I109 HydrophobicContact CG1-CD1 3.88Å
89S92Very high89.9Confident30 Ų3087.8 Ų87.821%0.2148%0.478CS..Hα-helixtrans-57.5-36.3176.9-176.90000113.2L85 Q86 R87 P93 N106L85-S89 PolarHBondContact O-N 3.42Å; Q86-S89 PolarHBondContact O-N 3.11Å; R87-S89 VanDerWaalsContact C-N 3.35Å; S89-P93 WeakPolarHBondContact O-CD 3.42Å; S89-N106 PolarHBondContact OG-ND2 3.25Å
90A92.3Very high90.1Very high64 Ų6486.7 Ų86.753%0.52948%0.476SS..Hα-helixtrans-75.8-23.2178.700000113.6Q86 R87 V88Q86-A90 PolarHBondContact O-N 3.39Å; R87-A90 PolarHBondContact O-N 3.47Å; V88-A90 VanDerWaalsContact C-N 3.25Å; V88-A90 PolarHBondContact O-N 3.42Å
91L93.1Very high90.3Very high86 Ų8685.7 Ų85.745%0.4546%0.464SS..Hα-helixtrans-92.1-26.8179.8-68.3174.7000112.7R87 V88 K94 T95R87-L91 HydrophobicContact CG-CD1 4.29Å; R87-L91 WeakPolarHBondContact O-CG 3.36Å; R87-L91 PolarHBondContact O-N 3.17Å; R87-L91 VanDerWaalsContact O-N 3.12Å; V88-L91 PolarHBondContact O-N 3.43Å; L91-K94 HydrophobicContact CD2-CD 4.4Å; L91-K94 WeakPolarHBondContact O-CA 3.5Å; L91-K94 WeakPolarHBondContact O-CB 3.2Å; L91-K94 PolarHBondContact O-N 3.43Å; L91-T95 PolarHBondContact O-N 3.25Å
92L90.9Very high90.5Very high12 Ų1284 Ų846%0.06346%0.46CS..G310 helixtrans-48.6-48179.7-83.9167.7000113.6V88 K94 T95 L97 I105 I109V88-L92 HydrophobicContact CG1-CD1 4.34Å; V88-L92 HydrophobicContact CG1-CG 4.31Å; V88-L92 WeakPolarHBondContact O-CG 3.42Å; V88-L92 PolarHBondContact O-N 2.92Å; L92-K94 PolarHBondContact O-N 3.42Å; L92-T95 PolarHBondContact O-N 3.49Å; L92-T95 PolarHBondContact O-OG1 3.36Å; L92-L97 HydrophobicContact CD2-CD1 4.21Å; L92-I105 HydrophobicContact CD1-CB 3.97Å; L92-I105 HydrophobicContact CD1-CG2 3.57Å; L92-I105 HydrophobicContact CD2-CB 4.36Å; L92-I105 HydrophobicContact CD2-CD1 3.94Å; L92-I105 HydrophobicContact CD2-CG2 4.15Å; L92-I105 HydrophobicContact CG-CG2 4.46Å; L92-I109 HydrophobicContact CD1-CD1 4.2Å
93P87.2Confident90.6Very high104 Ų10486.6 Ų86.668%0.67547%0.467SS*.G310 helixtrans-64.6-14.7179.1-21.834.1000114.6S89S89-P93 WeakPolarHBondContact O-CD 3.42Å
94K89.3Confident90.6Very high171 Ų17191.4 Ų91.474%0.74347%0.473SS*.G310 helixtrans-95.6-2.3179.3-53.6-180-176.5-1800112.4L91 L92L91-K94 HydrophobicContact CD2-CD 4.4Å; L91-K94 WeakPolarHBondContact O-CA 3.5Å; L91-K94 WeakPolarHBondContact O-CB 3.2Å; L91-K94 PolarHBondContact O-N 3.43Å; L92-K94 PolarHBondContact O-N 3.42Å
95T87.4Confident90.6Very high59 Ų5991.1 Ų91.136%0.36247%0.466SS..SBendtrans-89.7153.1178.166.20000110.5L91 L92 L97L91-T95 PolarHBondContact O-N 3.25Å; L92-T95 PolarHBondContact O-N 3.49Å; L92-T95 PolarHBondContact O-OG1 3.36Å; T95-L97 PolarHBondContact O-N 3.41Å; T95-L97 WeakPolarHBondContact OG1-CB 3.16Å; T95-L97 WeakPolarHBondContact OG1-CD1 3.46Å; T95-L97 WeakPolarHBondContact OG1-CG 3.18Å
96S89.5Confident90.5Very high133 Ų13392 Ų9293%0.9347%0.471SS*.SBendtrans-76.823.1173.863.50000112.9
97L87.8Confident90.4Very high90 Ų9090.2 Ų90.247%0.47147%0.466SS..SBendtrans-79.6151.2179.1-65.5177.3000109.9L92 T95 I105L92-L97 HydrophobicContact CD2-CD1 4.21Å; T95-L97 PolarHBondContact O-N 3.41Å; T95-L97 WeakPolarHBondContact OG1-CB 3.16Å; T95-L97 WeakPolarHBondContact OG1-CD1 3.46Å; T95-L97 WeakPolarHBondContact OG1-CG 3.18Å; L97-I105 HydrophobicContact CD1-CD1 4.44Å
98D90.7Very high90.3Very high97 Ų9787.5 Ų87.552%0.51946%0.459SS..  trans-57.2145.1174.7175.353000112D100 A101 C102D98-D100 VanDerWaalsContact C-N 3.34Å; D98-D100 PolarHBondContact O-N 2.85Å; D98-D100 WeakPolarHBondContact OD2-CB 3.33Å; D98-D100 PolarHBondContact OD2-N 3.2Å; D98-A101 HydrophobicContact CB-CB 4.15Å; D98-A101 WeakPolarHBondContact O-CB 3.39Å; D98-A101 PolarHBondContact O-N 2.89Å; D98-A101 VanDerWaalsContact O-N 3.15Å; D98-A101 PolarHBondContact OD2-N 3.33Å; D98-C102 PolarHBondContact O-N 3.04Å
99Q87.9Confident90.2Very high170 Ų17085.2 Ų85.279%0.79444%0.444SS*.Hα-helixtrans-64-38.7-175.2-77.8-176.127.400112A101 C102 R103Q99-A101 VanDerWaalsContact C-N 3.32Å; Q99-C102 PolarHBondContact O-N 3.14Å; Q99-R103 WeakPolarHBondContact O-CB 3.38Å; Q99-R103 PolarHBondContact O-N 3.13Å
100D89.9Confident90Very high88 Ų8889.1 Ų89.147%0.47146%0.46SS..Hα-helixtrans-69-34.2176.8-70.3-61.6000111.4D98 R104D98-D100 VanDerWaalsContact C-N 3.34Å; D98-D100 PolarHBondContact O-N 2.85Å; D98-D100 WeakPolarHBondContact OD2-CB 3.33Å; D98-D100 PolarHBondContact OD2-N 3.2Å; D100-R104 WeakPolarHBondContact O-CG 3.27Å; D100-R104 PolarHBondContact O-N 3.2Å
101A89.1Confident89.7Confident22 Ų2292.4 Ų92.418%0.18246%0.464CS..Hα-helixtrans-64.5-46.6171.800000111.9D98 Q99 R103 R104 I105D98-A101 HydrophobicContact CB-CB 4.15Å; D98-A101 WeakPolarHBondContact O-CB 3.39Å; D98-A101 PolarHBondContact O-N 2.89Å; D98-A101 VanDerWaalsContact O-N 3.15Å; D98-A101 PolarHBondContact OD2-N 3.33Å; Q99-A101 VanDerWaalsContact C-N 3.32Å; A101-R103 VanDerWaalsContact C-N 3.32Å; A101-R103 PolarHBondContact O-N 3.43Å; A101-R104 PolarHBondContact O-N 3.46Å; A101-I105 VanDerWaalsContact O-CG1 3.25Å; A101-I105 WeakPolarHBondContact O-CG1 3.28Å; A101-I105 PolarHBondContact O-N 3.09Å
102C90.4Very high89.2Confident22 Ų2289.2 Ų89.215%0.14945%0.448CS..Hα-helixtrans-58.1-43.2175.8-76.80000112.3D98 Q99 I105 N106D98-C102 PolarHBondContact O-N 3.04Å; Q99-C102 PolarHBondContact O-N 3.14Å; C102-I105 PolarHBondContact O-N 2.84Å; C102-N106 WeakPolarHBondContact O-CB 3.44Å; C102-N106 PolarHBondContact O-N 3.04Å
103R91Very high88.7Confident164 Ų16491.2 Ų91.262%0.61946%0.458SS*.Hα-helixtrans-62-50.3177.1-178.3179.2159.3-167.5-2.9111.7Q99 A101 I105 N106 D107Q99-R103 WeakPolarHBondContact O-CB 3.38Å; Q99-R103 PolarHBondContact O-N 3.13Å; A101-R103 VanDerWaalsContact C-N 3.32Å; A101-R103 PolarHBondContact O-N 3.43Å; R103-I105 VanDerWaalsContact C-N 3.3Å; R103-I105 PolarHBondContact O-N 2.95Å; R103-N106 PolarHBondContact O-N 2.79Å; R103-N106 VanDerWaalsContact O-N 3.13Å; R103-D107 VanDerWaalsContact O-CG 3.27Å; R103-D107 PolarHBondContact O-N 2.95Å
104R91.9Very high88.1Confident154 Ų15490.9 Ų90.958%0.58146%0.458SS*.Hα-helixtrans-58.1-40.6177.9-72.9-173.3-61.1-95.11.9112.9D100 A101 F108D100-R104 WeakPolarHBondContact O-CG 3.27Å; D100-R104 PolarHBondContact O-N 3.2Å; A101-R104 PolarHBondContact O-N 3.46Å; R104-F108 WeakPolarHBondContact O-CB 3.25Å; R104-F108 PolarHBondContact O-N 3.07Å; R104-F108 VanDerWaalsContact O-N 3.08Å
105I90.9Very high87Confident64 Ų6485.5 Ų85.533%0.32844%0.442SS..Hα-helixtrans-67.8-41.1178.1-62.9164.6000110.5L92 L97 A101 C102 R103 F108 I109L92-I105 HydrophobicContact CD1-CB 3.97Å; L92-I105 HydrophobicContact CD1-CG2 3.57Å; L92-I105 HydrophobicContact CD2-CB 4.36Å; L92-I105 HydrophobicContact CD2-CD1 3.94Å; L92-I105 HydrophobicContact CD2-CG2 4.15Å; L92-I105 HydrophobicContact CG-CG2 4.46Å; L97-I105 HydrophobicContact CD1-CD1 4.44Å; A101-I105 VanDerWaalsContact O-CG1 3.25Å; A101-I105 WeakPolarHBondContact O-CG1 3.28Å; A101-I105 PolarHBondContact O-N 3.09Å; C102-I105 PolarHBondContact O-N 2.84Å; R103-I105 VanDerWaalsContact C-N 3.3Å; R103-I105 PolarHBondContact O-N 2.95Å; I105-F108 PolarHBondContact O-N 2.7Å; I105-I109 HydrophobicContact CG2-CD1 3.97Å; I105-I109 VanDerWaalsContact O-CG1 3.31Å; I105-I109 WeakPolarHBondContact O-CG1 3.26Å; I105-I109 PolarHBondContact O-N 2.87Å
106N90.9Very high85.5Confident39 Ų3989.4 Ų89.421%0.20947%0.466CS..Hα-helixtrans-65.5-43.2178.5-156.4-44.3000111.7S89 C102 R103 F108 I109 Q110S89-N106 PolarHBondContact OG-ND2 3.25Å; C102-N106 WeakPolarHBondContact O-CB 3.44Å; C102-N106 PolarHBondContact O-N 3.04Å; R103-N106 PolarHBondContact O-N 2.79Å; R103-N106 VanDerWaalsContact O-N 3.13Å; N106-F108 VanDerWaalsContact C-N 3.32Å; N106-F108 PolarHBondContact O-N 3.37Å; N106-I109 WeakPolarHBondContact O-CB 3.37Å; N106-I109 PolarHBondContact O-N 3.32Å; N106-I109 VanDerWaalsContact O-N 3.14Å; N106-Q110 WeakPolarHBondContact O-CG 3.5Å; N106-Q110 PolarHBondContact O-N 3.12Å; N106-Q110 PolarHBondContact OD1-NE2 3.44Å
107D90.9Very high83.9Confident80 Ų8088.4 Ų88.443%0.42845%0.454SS..Hα-helixtrans-59.3-43.8175.4-66.6-17.9000111R103 I109 Q110 Q111R103-D107 VanDerWaalsContact O-CG 3.27Å; R103-D107 PolarHBondContact O-N 2.95Å; D107-I109 PolarHBondContact O-N 3.44Å; D107-Q110 PolarHBondContact O-N 3.06Å; D107-Q111 WeakPolarHBondContact O-CB 3.02Å; D107-Q111 PolarHBondContact O-N 2.94Å
108F90Very high82.3Confident130 Ų13086.7 Ų86.757%0.5745%0.447SS*.Hα-helixtrans-61.3-42.8174.3175.6-99.5000112.7R104 I105 N106 Q111 T112R104-F108 WeakPolarHBondContact O-CB 3.25Å; R104-F108 PolarHBondContact O-N 3.07Å; R104-F108 VanDerWaalsContact O-N 3.08Å; I105-F108 PolarHBondContact O-N 2.7Å; N106-F108 VanDerWaalsContact C-N 3.32Å; N106-F108 PolarHBondContact O-N 3.37Å; F108-Q111 PolarHBondContact O-N 3.22Å; F108-T112 WeakPolarHBondContact O-CB 3.46Å; F108-T112 PolarHBondContact O-N 3.46Å; F108-T112 PolarHBondContact O-OG1 3.49Å
109I90.5Very high80.5Confident10 Ų1085 Ų855%0.05144%0.442CS..Hα-helixtrans-61.4-46.1176.8-73.5167.4000110.5L85 V88 L92 I105 N106 D107 T112 M113L85-I109 HydrophobicContact CB-CG2 3.88Å; L85-I109 HydrophobicContact CD1-CG2 4.49Å; L85-I109 HydrophobicContact CD2-CG1 4.37Å; V88-I109 HydrophobicContact CB-CD1 4.25Å; V88-I109 HydrophobicContact CG1-CD1 3.88Å; L92-I109 HydrophobicContact CD1-CD1 4.2Å; I105-I109 HydrophobicContact CG2-CD1 3.97Å; I105-I109 VanDerWaalsContact O-CG1 3.31Å; I105-I109 WeakPolarHBondContact O-CG1 3.26Å; I105-I109 PolarHBondContact O-N 2.87Å; N106-I109 WeakPolarHBondContact O-CB 3.37Å; N106-I109 PolarHBondContact O-N 3.32Å; N106-I109 VanDerWaalsContact O-N 3.14Å; D107-I109 PolarHBondContact O-N 3.44Å; I109-T112 PolarHBondContact O-N 2.88Å; I109-M113 HydrophobicContact CG2-CG 4.4Å; I109-M113 WeakPolarHBondContact O-CB 3.49Å; I109-M113 WeakPolarHBondContact O-CG 3.38Å; I109-M113 PolarHBondContact O-N 2.92Å
110Q88.3Confident79Confident113 Ų11380.9 Ų80.953%0.52843%0.428SS..Hα-helixtrans-65-40179.3-70.9-176.851.500112.3N106 D107 M113 S114N106-Q110 WeakPolarHBondContact O-CG 3.5Å; N106-Q110 PolarHBondContact O-N 3.12Å; N106-Q110 PolarHBondContact OD1-NE2 3.44Å; D107-Q110 PolarHBondContact O-N 3.06Å; Q110-M113 PolarHBondContact O-N 3.42Å; Q110-S114 PolarHBondContact O-N 3.1Å; Q110-S114 VanDerWaalsContact O-N 3.13Å; Q110-S114 PolarHBondContact O-OG 3.25Å
111Q86.7Confident77.4Confident132 Ų13278.7 Ų78.762%0.61742%0.419SS*.Hα-helixtrans-64-42.3175.5-163.967.442.800111.6D107 F108 M113 S114 S115D107-Q111 WeakPolarHBondContact O-CB 3.02Å; D107-Q111 PolarHBondContact O-N 2.94Å; F108-Q111 PolarHBondContact O-N 3.22Å; Q111-M113 VanDerWaalsContact C-N 3.34Å; Q111-M113 PolarHBondContact O-N 2.97Å; Q111-S114 PolarHBondContact O-N 2.98Å; Q111-S115 PolarHBondContact O-N 3.16Å; Q111-S115 PolarHBondContact O-OG 2.79Å
112T83.2Confident75.9Confident19 Ų1985.3 Ų85.312%0.11745%0.451CS..Hα-helixtrans-68.8-32.3179.2-55.70000112.1Y81 L85 F108 I109 P119Y81-T112 HydrophobicContact CE1-CG2 4.04Å; L85-T112 HydrophobicContact CD1-CG2 4.11Å; F108-T112 WeakPolarHBondContact O-CB 3.46Å; F108-T112 PolarHBondContact O-N 3.46Å; F108-T112 PolarHBondContact O-OG1 3.49Å; I109-T112 PolarHBondContact O-N 2.88Å; T112-P119 HydrophobicContact CG2-CG 3.93Å
113M80.2Confident74.1Confident55 Ų5589.7 Ų89.727%0.27147%0.473SS..Hα-helixtrans-73.8-26.7175.3-74.6-67.5106.500113.9Y81 K82 L85 I109 Q110 Q111Y81-M113 HydrophobicContact CD1-CE 3.94Å; Y81-M113 HydrophobicContact CE1-CE 3.94Å; K82-M113 HydrophobicContact CB-CE 4.1Å; K82-M113 HydrophobicContact CB-SD 3.75Å; K82-M113 HydrophobicContact CD-SD 3.94Å; K82-M113 HydrophobicContact CG-CE 4.47Å; K82-M113 HydrophobicContact CG-SD 3.47Å; K82-M113 WeakPolarHBondContact CG-SD 3.48Å; L85-M113 HydrophobicContact CB-CE 4.09Å; L85-M113 HydrophobicContact CD1-CE 3.29Å; L85-M113 HydrophobicContact CG-CE 4.02Å; I109-M113 HydrophobicContact CG2-CG 4.4Å; I109-M113 WeakPolarHBondContact O-CB 3.49Å; I109-M113 WeakPolarHBondContact O-CG 3.38Å; I109-M113 PolarHBondContact O-N 2.92Å; Q110-M113 PolarHBondContact O-N 3.42Å; Q111-M113 VanDerWaalsContact C-N 3.34Å; Q111-M113 PolarHBondContact O-N 2.97Å
114S74.4Confident72.3Confident97 Ų9784.6 Ų84.668%0.67846%0.461SS*.Hα-helixtrans-87.8-19.4-178.6-55.50000112.9Q110 Q111Q110-S114 PolarHBondContact O-N 3.1Å; Q110-S114 VanDerWaalsContact O-N 3.13Å; Q110-S114 PolarHBondContact O-OG 3.25Å; Q111-S114 PolarHBondContact O-N 2.98Å
115S65.8Low70.4Confident57 Ų5779.9 Ų79.940%0.39945%0.451SS..  trans-81.6124.9179.1-58.40000110.4Q111 V117Q111-S115 PolarHBondContact O-N 3.16Å; Q111-S115 PolarHBondContact O-OG 2.79Å; S115-V117 PolarHBondContact O-N 3.49Å
116T56.1Low68.6Low142 Ų14278.7 Ų78.787%0.87145%0.451SS*.SBendtrans-67.2-12.3175.2-0.10000113T118T116-T118 PolarHBondContact O-N 2.93Å
117V56Low66.6Low112 Ų11282.7 Ų82.768%0.67947%0.468SS*.SBendtrans-82.3102.5173.9-174.40000108S115 P119S115-V117 PolarHBondContact O-N 3.49Å; V117-P119 VanDerWaalsContact O-CD 3.23Å; V117-P119 WeakPolarHBondContact O-CD 3.42Å
118T54.4Low64.5Low54 Ų5482.4 Ų82.433%0.33147%0.473SS..  trans-55.7118.4162.725.70000108.7R78 T116 T120R78-T118 HydrophobicContact CG-CG2 3.36Å; T116-T118 PolarHBondContact O-N 2.93Å; T118-T120 PolarHBondContact O-N 3.17Å
119P52.2Low62.6Low62 Ų6279.9 Ų79.940%0.40347%0.471SS..  trans-66.499.3162.728-29.6000105.3Y81 T112 V117 C121Y81-P119 HydrophobicContact CE1-CG 4.22Å; T112-P119 HydrophobicContact CG2-CG 3.93Å; V117-P119 VanDerWaalsContact O-CD 3.23Å; V117-P119 WeakPolarHBondContact O-CD 3.42Å; P119-C121 PolarHBondContact O-N 3.48Å
120T56Low60.6Low83 Ų8388.3 Ų88.351%0.50950%0.502SS..  trans-53.4114.9173.3-410000106.3T118 L122 C125T118-T120 PolarHBondContact O-N 3.17Å; T120-L122 VanDerWaalsContact C-N 3.33Å; T120-L122 PolarHBondContact O-N 2.73Å; T120-C125 HydrophobicContact CG2-CB 3.7Å; T120-C125 WeakPolarHBondContact CG2-SG 3.44Å
121C57Low58.8Low41 Ų4187 Ų8728%0.27750%0.502SS..  trans-60.7104.9171172.80000106.6Y77 P119 N123 C124 C125Y77-C121 VanDerWaalsContact OH-CB 3.25Å; Y77-C121 WeakPolarHBondContact OH-CB 3.31Å; P119-C121 PolarHBondContact O-N 3.48Å; C121-N123 PolarHBondContact O-N 3.32Å; C121-C124 HydrophobicContact CB-CB 3.84Å; C121-C124 PolarHBondContact O-N 2.94Å; C121-C124 PolarHBondContact SG-N 2.91Å; C121-C124 PolarHBondContact SG-SG 3Å; C121-C125 PolarHBondContact O-N 3.33Å
122L56.5Low56.9Low162 Ų16285.7 Ų85.785%0.84850%0.499SS*.Hα-helixtrans-51.8-29.7-179.7-81.6145.9000111T120 A126T120-L122 VanDerWaalsContact C-N 3.33Å; T120-L122 PolarHBondContact O-N 2.73Å; L122-A126 WeakPolarHBondContact O-CB 3.45Å
123N54.4Low55.3Low114 Ų11487.8 Ų87.861%0.6151%0.513SS*.Hα-helixtrans-86.1-32.9-179.6-148.5-0.3000114.1C121 Q127C121-N123 PolarHBondContact O-N 3.32Å; N123-Q127 PolarHBondContact O-NE2 2.75Å
124C51.8Low53.8Low57 Ų5791.6 Ų91.639%0.38553%0.53SS..Hα-helixtrans-80.2-40.8177.7-66.70000111.8C121 A126 Q127 S128C121-C124 HydrophobicContact CB-CB 3.84Å; C121-C124 PolarHBondContact O-N 2.94Å; C121-C124 PolarHBondContact SG-N 2.91Å; C121-C124 PolarHBondContact SG-SG 3Å; C124-A126 VanDerWaalsContact C-N 3.28Å; C124-A126 PolarHBondContact O-N 3.44Å; C124-Q127 PolarHBondContact O-N 2.86Å; C124-Q127 VanDerWaalsContact O-N 3.08Å; C124-S128 PolarHBondContact O-N 3Å; C124-S128 PolarHBondContact O-OG 3.46Å; C124-S128 VanDerWaalsContact O-OG 3.13Å
125C53.4Low52.9Low54 Ų5492 Ų9237%0.36552%0.523SS..Hα-helixtrans-66.2-30.4176-93.60000112.5T120 C121 Q127 S129T120-C125 HydrophobicContact CG2-CB 3.7Å; T120-C125 WeakPolarHBondContact CG2-SG 3.44Å; C121-C125 PolarHBondContact O-N 3.33Å; C125-Q127 PolarHBondContact O-N 3.47Å; C125-S129 WeakPolarHBondContact O-CB 3.33Å; C125-S129 PolarHBondContact O-N 3.46Å; C125-S129 PolarHBondContact O-OG 3.33Å
126A52.2Low52.2Low39 Ų3994.4 Ų94.432%0.32253%0.528SS..Hα-helixtrans-66.9-19.117300000113.9L122 C124 R130L122-A126 WeakPolarHBondContact O-CB 3.45Å; C124-A126 VanDerWaalsContact C-N 3.28Å; C124-A126 PolarHBondContact O-N 3.44Å; A126-R130 WeakPolarHBondContact O-CD 3.49Å; A126-R130 WeakPolarHBondContact O-CG 3.39Å; A126-R130 PolarHBondContact O-NE 3.03Å
127Q49.3Very low52.2Low124 Ų12494.5 Ų94.558%0.57952%0.519SS*.Hα-helixtrans-96.3-42.4178.9-68176.159.700111.6N123 C124 C125 R130N123-Q127 PolarHBondContact O-NE2 2.75Å; C124-Q127 PolarHBondContact O-N 2.86Å; C124-Q127 VanDerWaalsContact O-N 3.08Å; C125-Q127 PolarHBondContact O-N 3.47Å; Q127-R130 PolarHBondContact O-N 3.19Å
128S46.4Very low52.1Low74 Ų7498.1 Ų98.152%0.51752%0.52SS..Hα-helixtrans-66.9-35.1175.4-48.30000112.7C124 R130 T131C124-S128 PolarHBondContact O-N 3Å; C124-S128 PolarHBondContact O-OG 3.46Å; C124-S128 VanDerWaalsContact O-OG 3.13Å; S128-R130 PolarHBondContact O-N 3.35Å; S128-T131 PolarHBondContact O-N 2.78Å; S128-T131 PolarHBondContact O-OG1 3.41Å
129S49.2Very low51.9Low77 Ų77100.9 Ų100.954%0.53853%0.532SS..Hα-helixtrans-73.5-2.8176-62.60000114C125 P133C125-S129 WeakPolarHBondContact O-CB 3.33Å; C125-S129 PolarHBondContact O-N 3.46Å; C125-S129 PolarHBondContact O-OG 3.33Å; S129-P133 WeakPolarHBondContact O-CD 3.17Å; S129-P133 WeakPolarHBondContact O-CG 3.48Å
130R50.2Low52Low187 Ų187103 Ų10371%0.70654%0.54SS*.Hα-helixtrans-94.5-24.6173.9-68.6178.6-160.8-111.15.2113.1A126 Q127 S128A126-R130 WeakPolarHBondContact O-CD 3.49Å; A126-R130 WeakPolarHBondContact O-CG 3.39Å; A126-R130 PolarHBondContact O-NE 3.03Å; Q127-R130 PolarHBondContact O-N 3.19Å; S128-R130 PolarHBondContact O-N 3.35Å
131T49.3Very low52Low85 Ų85102.2 Ų102.252%0.52154%0.537SS..Hα-helixtrans-89.1-32.6-178.756.70000112.7S128 Q134 I135S128-T131 PolarHBondContact O-N 2.78Å; S128-T131 PolarHBondContact O-OG1 3.41Å; T131-Q134 PolarHBondContact O-N 2.8Å; T131-I135 PolarHBondContact O-N 2.97Å
132L46.3Very low51.7Low105 Ų105105.3 Ų105.355%0.5555%0.551SS.*Hα-helixtrans-67.9-44.1177.1-160.665.9000114.7Q134 I135 Q136L132-Q134 PolarHBondContact O-N 2.85Å; L132-I135 PolarHBondContact O-N 3.38Å; L132-Q136 WeakPolarHBondContact O-CG 3.23Å; L132-Q136 PolarHBondContact O-N 3.04Å
133P50.7Low51.3Low62 Ų62104.9 Ų104.940%0.40354%0.542SS..Hα-helixtrans-68.6-23.7176.726.9-34.4000112.2S129 H137S129-P133 WeakPolarHBondContact O-CD 3.17Å; S129-P133 WeakPolarHBondContact O-CG 3.48Å; P133-H137 WeakPolarHBondContact O-CB 3.34Å; P133-H137 PolarHBondContact O-N 3.05Å
134Q48.6Very low51.1Low136 Ų136102.8 Ų102.864%0.63654%0.536SS*.Hα-helixtrans-71.6-37.3178.4-145.6-176.616.200111.9T131 L132 R138T131-Q134 PolarHBondContact O-N 2.8Å; L132-Q134 PolarHBondContact O-N 2.85Å; Q134-R138 WeakPolarHBondContact O-CB 3.26Å; Q134-R138 WeakPolarHBondContact O-CG 3.37Å; Q134-R138 PolarHBondContact O-N 2.72Å; Q134-R138 VanDerWaalsContact O-N 3.09Å
135I54.7Low51.1Low106 Ų106103 Ų10354%0.54454%0.538SS..Hα-helixtrans-74.4-40.7175-64.2170.2000110.6T131 L132 R138 L139T131-I135 PolarHBondContact O-N 2.97Å; L132-I135 PolarHBondContact O-N 3.38Å; I135-R138 WeakPolarHBondContact O-CB 2.97Å; I135-R138 PolarHBondContact O-N 3.23Å; I135-L139 HydrophobicContact CG2-CD1 4.08Å; I135-L139 WeakPolarHBondContact O-CG 3.32Å; I135-L139 PolarHBondContact O-N 3.45Å
136Q50.9Low50.8Low107 Ų107108 Ų10850%0.555%0.554SS.*Hα-helixtrans-62.8-42.3173.8-73.5-179.6-34.800111.7L132 R138 L139 L140L132-Q136 WeakPolarHBondContact O-CG 3.23Å; L132-Q136 PolarHBondContact O-N 3.04Å; Q136-R138 VanDerWaalsContact C-N 3.34Å; Q136-R138 PolarHBondContact O-N 3.29Å; Q136-L139 PolarHBondContact O-N 2.92Å; Q136-L140 HydrophobicContact CB-CD1 4.43Å; Q136-L140 VanDerWaalsContact O-CB 3.32Å; Q136-L140 WeakPolarHBondContact O-CB 3.36Å; Q136-L140 VanDerWaalsContact O-CD1 3.31Å; Q136-L140 WeakPolarHBondContact O-CD1 3.49Å; Q136-L140 VanDerWaalsContact O-CG 3.24Å; Q136-L140 WeakPolarHBondContact O-CG 3.25Å; Q136-L140 PolarHBondContact O-N 2.85Å
137H56Low50.5Low144 Ų144109.3 Ų109.367%0.66756%0.561SS**Hα-helixtrans-66.8-35.2177.6-153-87.9000112.1P133 S141P133-H137 WeakPolarHBondContact O-CB 3.34Å; P133-H137 PolarHBondContact O-N 3.05Å; H137-S141 WeakPolarHBondContact O-CB 3.45Å; H137-S141 PolarHBondContact O-N 3Å
138R53.8Low50.2Low188 Ų188107.4 Ų107.471%0.70956%0.561SS**Hα-helixtrans-62.6-46.8170-75.4-91.5-176.6-151.3-0.4111.1Q134 I135 Q136 S141 L142Q134-R138 WeakPolarHBondContact O-CB 3.26Å; Q134-R138 WeakPolarHBondContact O-CG 3.37Å; Q134-R138 PolarHBondContact O-N 2.72Å; Q134-R138 VanDerWaalsContact O-N 3.09Å; I135-R138 WeakPolarHBondContact O-CB 2.97Å; I135-R138 PolarHBondContact O-N 3.23Å; Q136-R138 VanDerWaalsContact C-N 3.34Å; Q136-R138 PolarHBondContact O-N 3.29Å; R138-S141 PolarHBondContact O-N 3.27Å; R138-L142 WeakPolarHBondContact O-CD1 3.29Å; R138-L142 PolarHBondContact O-N 2.95Å
139L52Low50.1Low111 Ų111111.8 Ų111.858%0.58157%0.566SS**Hα-helixtrans-67.9-38.5178.9-73.3168.4000112.9I135 Q136 L142 K143I135-L139 HydrophobicContact CG2-CD1 4.08Å; I135-L139 WeakPolarHBondContact O-CG 3.32Å; I135-L139 PolarHBondContact O-N 3.45Å; Q136-L139 PolarHBondContact O-N 2.92Å; L139-L142 PolarHBondContact O-N 3.28Å; L139-K143 WeakPolarHBondContact O-CB 3.32Å; L139-K143 PolarHBondContact O-N 2.9Å
140L54.2Low49.7Very low108 Ų108114.9 Ų114.957%0.56558%0.576SS**Hα-helixtrans-67.5-37.2175.8-74.1156.3000111.8Q136 K143 S144Q136-L140 HydrophobicContact CB-CD1 4.43Å; Q136-L140 VanDerWaalsContact O-CB 3.32Å; Q136-L140 WeakPolarHBondContact O-CB 3.36Å; Q136-L140 VanDerWaalsContact O-CD1 3.31Å; Q136-L140 WeakPolarHBondContact O-CD1 3.49Å; Q136-L140 VanDerWaalsContact O-CG 3.24Å; Q136-L140 WeakPolarHBondContact O-CG 3.25Å; Q136-L140 PolarHBondContact O-N 2.85Å; L140-K143 PolarHBondContact O-N 3.27Å; L140-S144 PolarHBondContact O-N 3.37Å
141S54.3Low49Very low65 Ų65113.5 Ų113.546%0.45558%0.578SS.*Hα-helixtrans-66-36.9172.1171.10000112.7H137 R138 S144 S145H137-S141 WeakPolarHBondContact O-CB 3.45Å; H137-S141 PolarHBondContact O-N 3Å; R138-S141 PolarHBondContact O-N 3.27Å; S141-S144 PolarHBondContact O-OG 3.37Å; S141-S144 VanDerWaalsContact O-OG 3.13Å; S141-S145 PolarHBondContact O-N 3.18Å; S141-S145 PolarHBondContact O-OG 3.36Å; S141-S145 VanDerWaalsContact O-OG 3.14Å
142L50.9Low48.5Very low107 Ų107114.8 Ų114.856%0.5659%0.59SS**Hα-helixtrans-67-38.6169.3-87.897.2000111.5R138 L139 S145 F146R138-L142 WeakPolarHBondContact O-CD1 3.29Å; R138-L142 PolarHBondContact O-N 2.95Å; L139-L142 PolarHBondContact O-N 3.28Å; L142-S145 PolarHBondContact O-N 3.44Å; L142-F146 WeakPolarHBondContact O-CD2 3.22Å; L142-F146 PolarHBondContact O-N 3.22Å
143K49.5Very low48.3Very low153 Ų153120 Ų12067%0.66560%0.602SS**Hα-helixtrans-68.3-38.4178.8-127.2173.5-179.6-146.40113L139 L140 S145 F146 S147L139-K143 WeakPolarHBondContact O-CB 3.32Å; L139-K143 PolarHBondContact O-N 2.9Å; L140-K143 PolarHBondContact O-N 3.27Å; K143-S145 VanDerWaalsContact C-N 3.3Å; K143-S145 PolarHBondContact O-N 3.12Å; K143-F146 PolarHBondContact O-N 2.9Å; K143-F146 VanDerWaalsContact O-N 3.11Å; K143-S147 PolarHBondContact O-N 3.07Å
144S49.9Very low47.6Very low69 Ų69121.5 Ų121.548%0.48362%0.615SS.*Hα-helixtrans-68.2-29.2176.572.40000112.7L140 S141 F146 S148L140-S144 PolarHBondContact O-N 3.37Å; S141-S144 PolarHBondContact O-OG 3.37Å; S141-S144 VanDerWaalsContact O-OG 3.13Å; S144-F146 VanDerWaalsContact C-N 3.25Å; S144-F146 PolarHBondContact O-N 3.02Å; S144-S148 VanDerWaalsContact O-CB 3.27Å; S144-S148 WeakPolarHBondContact O-CB 3.48Å; S144-S148 PolarHBondContact O-N 3.07Å; S144-S148 PolarHBondContact O-OG 3.43Å
145S50.3Low47.2Very low63 Ų63126.5 Ų126.544%0.44163%0.628SS.*Hα-helixtrans-70.6-20.5172.1-63.80000113.4S141 L142 K143S141-S145 PolarHBondContact O-N 3.18Å; S141-S145 PolarHBondContact O-OG 3.36Å; S141-S145 VanDerWaalsContact O-OG 3.14Å; L142-S145 PolarHBondContact O-N 3.44Å; K143-S145 VanDerWaalsContact C-N 3.3Å; K143-S145 PolarHBondContact O-N 3.12Å
146F48.7Very low46.2Very low158 Ų158127.6 Ų127.669%0.69365%0.645SS**Hα-helixtrans-91.8-39.8173.5-89.6-93.5000112.3L142 K143 S144 R149L142-F146 WeakPolarHBondContact O-CD2 3.22Å; L142-F146 PolarHBondContact O-N 3.22Å; K143-F146 PolarHBondContact O-N 2.9Å; K143-F146 VanDerWaalsContact O-N 3.11Å; S144-F146 VanDerWaalsContact C-N 3.25Å; S144-F146 PolarHBondContact O-N 3.02Å; F146-R149 PolarHBondContact O-N 3.22Å
147S45.4Very low45.5Very low67 Ų67130.1 Ų130.147%0.46966%0.661SS.*Hα-helixtrans-71.9-39.1177.9-85.40000113.6K143 R149 L150 E151K143-S147 PolarHBondContact O-N 3.07Å; S147-R149 PolarHBondContact O-N 3.35Å; S147-R149 VanDerWaalsContact O-N 3.1Å; S147-L150 PolarHBondContact O-N 3.44Å; S147-E151 PolarHBondContact O-N 2.83Å; S147-E151 VanDerWaalsContact O-N 3.14Å
148S41.8Very low44.4Very low83 Ų83131.9 Ų131.958%0.5868%0.675SS**THydrogen-bonded Turntrans-63-19.4177.255.20000113.3S144S144-S148 VanDerWaalsContact O-CB 3.27Å; S144-S148 WeakPolarHBondContact O-CB 3.48Å; S144-S148 PolarHBondContact O-N 3.07Å; S144-S148 PolarHBondContact O-OG 3.43Å
149R44.8Very low43.2Very low166 Ų166126.5 Ų126.563%0.62668%0.678SS**THydrogen-bonded Turntrans-86.1-17.6174.7-130.4-176.2-77.2-131.1-1.9113.6F146 S147 A175F146-R149 PolarHBondContact O-N 3.22Å; S147-R149 PolarHBondContact O-N 3.35Å; S147-R149 VanDerWaalsContact O-N 3.1Å; R149-A175 VanDerWaalsContact NH1-CB 3.26Å
150L41.4Very low42.3Very low142 Ų142126.6 Ų126.674%0.74369%0.694SS**THydrogen-bonded Turntrans-94.9-29.5-179.9-143.881.5000112.2S147S147-L150 PolarHBondContact O-N 3.44Å
151E35.4Very low41.1Very low159 Ų159125.3 Ų125.374%0.74371%0.708SS**G310 helixtrans-85.6-14.4-175-126.7157.1118.300114.6S147 R153S147-E151 PolarHBondContact O-N 2.83Å; S147-E151 VanDerWaalsContact O-N 3.14Å; E151-R153 PolarHBondContact O-N 3.07Å
152S38.2Very low40.1Very low111 Ų111126.9 Ų126.978%0.77673%0.725SS**G310 helixtrans-79.75.6176.7106.80000114.2
153R42.2Very low40.3Very low214 Ų214127.3 Ų127.381%0.80873%0.734SS**G310 helixtrans-116.29-173.7-160.8129.8168.4-123.3-1.3114.9E151E151-R153 PolarHBondContact O-N 3.07Å
154S37.3Very low39.3Very low95 Ų95127.7 Ų127.766%0.66474%0.741SS**SBendtrans-129.672.8-179.2-61.30000111.4
155R39.4Very low38.3Very low241 Ų241135.7 Ų135.791%0.90976%0.761SS**  trans-178.3104.1152.7-102.9167.7-153.6-143.16.4108.7
156S34Very low37.5Very low129 Ų129137.2 Ų137.290%0.90278%0.777SS**  trans16690.3141-69.50000108.3
157D34.9Very low36.6Very low159 Ų159139.3 Ų139.385%0.8579%0.789SS**  trans-116.6120.4160.3-119.1-35.6000106.4
158L33.6Very low36Very low182 Ų182140.6 Ų140.695%0.95380%0.803SS**  trans167.5121.7148.5-90.8155.7000110.1
159G29.3Very low35.6Very low74 Ų74144 Ų14476%0.76382%0.815SS**  trans119.788.2144.500000119.3
160A32.6Very low35Very low113 Ų113145.1 Ų145.193%0.93483%0.827SS**  trans59.2133.8131.700000123.4
161G29Very low34.7Very low82 Ų82146.8 Ų146.885%0.84583%0.831SS**  trans126.6101.9148.300000116.5
162A32.8Very low34.8Very low98 Ų98144.4 Ų144.481%0.8183%0.829SS**  trans-88.3-177.5167.500000111
163P54.8Low34.9Very low115 Ų115145.5 Ų145.575%0.74783%0.831SS**  cis-124.3174.4-37.625.3-4.5000111.3
164I28.7Very low35Very low161 Ų161139.9 Ų139.983%0.82682%0.824SS**  trans159.7118.8141.6-81.9162.1000111.9
165R28.8Very low36Very low238 Ų238138.3 Ų138.390%0.89882%0.817SS**  trans51.6127.1141-157165.1-176.1138.2-0.9122.6
166A34.8Very low36.9Very low94 Ų94131.2 Ų131.278%0.77781%0.81SS**  trans69.798.2154.300000118.4
167Q30Very low37.8Very low203 Ų203131.8 Ų131.895%0.94980%0.8SS**  trans-110110.3168.3-75.8-179.8-17.700111.5
168A31.5Very low38.5Very low93 Ų93135.9 Ų135.977%0.76980%0.804SS**  trans-85.1141.2151.600000109
169L34.8Very low39.2Very low156 Ų156136.4 Ų136.482%0.81779%0.793SS**  trans29.9112.4160.9-94.385.2000118.9
170Q31.5Very low40.2Very low189 Ų189137.6 Ų137.688%0.88379%0.787SS**  176108.5112-93.815613.200110.3
171Q35.8Very low41.3Very low176 Ų176143.8 Ų143.882%0.82279%0.787SS**  trans-88.7128.4169.5-80.4-71.4-15.100109.6V173Q171-V173 PolarHBondContact O-N 2.95Å
172P37.3Very low42Very low110 Ų110146.9 Ų146.971%0.71478%0.784SS**  trans-71.6113.917528.3-31.3000109.6S174P172-S174 PolarHBondContact O-N 3.15Å
173V40.5Very low42.4Very low133 Ų133149.5 Ų149.581%0.80678%0.783SS**  trans-65.797.6174.3-920000110.3Q171 A175Q171-V173 PolarHBondContact O-N 2.95Å; V173-A175 PolarHBondContact O-N 3.42Å; V173-A175 VanDerWaalsContact O-N 3.16Å
174S44.2Very low41.8Very low96 Ų96151.4 Ų151.467%0.67179%0.785SS**  trans-63.9112.7165.261.10000109.6P172 A176P172-S174 PolarHBondContact O-N 3.15Å; S174-A176 PolarHBondContact O-N 3.27Å; S174-A176 VanDerWaalsContact O-N 3.1Å
175A58.7Low42.5Very low63 Ų63150.8 Ų150.852%0.52178%0.782SS.*SBendtrans-73.989.4175.500000111.2R149 V173R149-A175 VanDerWaalsContact NH1-CB 3.26Å; V173-A175 PolarHBondContact O-N 3.42Å; V173-A175 VanDerWaalsContact O-N 3.16Å
176A56.4Low43.4Very low91 Ų91145.4 Ų145.475%0.75278%0.775SS**  trans178.445.4149.100000110.8S174 W178S174-A176 PolarHBondContact O-N 3.27Å; S174-A176 VanDerWaalsContact O-N 3.1Å; A176-W178 PolarHBondContact O-N 3.31Å
177M53.3Low44Very low142 Ų142148.8 Ų148.870%0.778%0.775SS**  trans-84.3114162-167.3161-81.800105.6R179M177-R179 WeakPolarHBondContact O-CG 3.34Å; M177-R179 PolarHBondContact O-N 3.26Å
178W49.2Very low45Very low245 Ų245144.9 Ų144.993%0.92876%0.762SS**  trans-48.4114159.1-9986.2000105.9A176 P180A176-W178 PolarHBondContact O-N 3.31Å; W178-P180 VanDerWaalsContact O-CD 3.26Å; W178-P180 WeakPolarHBondContact O-CD 3.48Å
179R50.3Low46Very low193 Ų193148.9 Ų148.973%0.72876%0.762SS**  trans-100.1102.7175.7-72.3-171.1173.7-90.1-1.5106.2M177 W181M177-R179 WeakPolarHBondContact O-CG 3.34Å; M177-R179 PolarHBondContact O-N 3.26Å; R179-W181 PolarHBondContact O-N 3.16Å
180P49.2Very low46.9Very low98 Ų98148.3 Ų148.364%0.63676%0.757SS**  trans-57.2136.2156.7-11.627.5000106.7W178W178-P180 VanDerWaalsContact O-CD 3.26Å; W178-P180 WeakPolarHBondContact O-CD 3.48Å
181W56.7Low48.3Very low244 Ų244144.6 Ų144.692%0.92475%0.746SS**  trans-33.10176.3-36.584000114.3R179R179-W181 PolarHBondContact O-N 3.16Å

Retrieved 181 of 181 residues in 165.5 ms (Link to these results)

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