A0A087XU19_POEFO Loading...

Calponin

Thin filament-associated protein that is implicated in the regulation and modulation of smooth muscle contraction. It is capable of binding to actin, calmodulin and tropomyosin. The interaction of calponin with actin inhibits the actomyosin Mg-ATPase activity.

AlphaFold DB , UniProt , Accession A0A087XU19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1I41.6Very low79.3Confident205 Ų205102.8 Ų102.8100%1.05153%0.528SS*.  0124.80-70.1165.4000106.3Q3I1-Q3 PolarHBondContact O-N 2.57Å; I1-Q3 VanDerWaalsContact O-N 3.17Å
2A47.8Very low80.4Confident101 Ų10199.6 Ų99.684%0.83551%0.509SS*.  trans-70.1107165.400000106.7K4A2-K4 PolarHBondContact O-N 3.44Å
3Q59Low81.5Confident112 Ų11291.9 Ų91.952%0.52347%0.47SS..PPolyproline II helixtrans-65.7125.5175.7-74.3-178.3-30.100107.5I1 T97I1-Q3 PolarHBondContact O-N 2.57Å; I1-Q3 VanDerWaalsContact O-N 3.17Å; Q3-T97 WeakPolarHBondContact O-CG2 3.22Å
4K81.4Confident82.4Confident191 Ų19187.9 Ų87.983%0.8345%0.446SS*.PPolyproline II helixtrans-80139.8171.5-175.5-177.7177.5-173.90107.4A2 D6A2-K4 PolarHBondContact O-N 3.44Å; K4-D6 PolarHBondContact O-N 2.88Å
5Y89.4Confident83.1Confident61 Ų6189.3 Ų89.324%0.23945%0.448CS..PPolyproline II helixtrans-53.2128.7175.3-165.5-92.4000110.9E10 M96 Q100Y5-E10 HydrophobicContact CE1-CB 4.48Å; Y5-E10 WeakPolarHBondContact CE1-OE2 3.47Å; Y5-E10 VanDerWaalsContact OH-CD 3.3Å; Y5-E10 WeakPolarHBondContact OH-CG 3.27Å; Y5-E10 PolarHBondContact OH-OE2 2.75Å; Y5-M96 HydrophobicContact CD2-CB 4.18Å; Y5-M96 HydrophobicContact CE2-CB 3.73Å; Y5-M96 WeakPolarHBondContact CE2-O 3.48Å; Y5-Q100 HydrophobicContact CD2-CB 4.19Å; Y5-Q100 HydrophobicContact CE2-CB 3.92Å
6D92.4Very high83.8Confident55 Ų5583.9 Ų83.929%0.29442%0.421SS..  trans-119.3112.2-176.5-175.9-9.7000110.3K4 Q8 K9 E10 Q100K4-D6 PolarHBondContact O-N 2.88Å; D6-Q8 PolarHBondContact O-N 3.09Å; D6-Q8 WeakPolarHBondContact OD1-CB 3.39Å; D6-Q8 PolarHBondContact OD1-N 3.43Å; D6-K9 HydrophobicContact CB-CB 4.13Å; D6-K9 HydrophobicContact CB-CG 4.02Å; D6-K9 PolarHBondContact O-N 2.68Å; D6-K9 VanDerWaalsContact O-N 3.11Å; D6-E10 PolarHBondContact O-N 3.03Å; D6-Q100 PolarHBondContact O-NE2 2.88Å
7P91.6Very high84.5Confident88 Ų8879 Ų7957%0.57140%0.396SS*.Hα-helixtrans-59.2-27.8176.7-25.535.6000114.3E10 E11P7-E10 WeakPolarHBondContact O-CB 3.42Å; P7-E10 PolarHBondContact O-N 2.69Å; P7-E11 PolarHBondContact O-N 2.95Å; P7-E11 VanDerWaalsContact O-N 3.14Å
8Q91.4Very high85Confident141 Ų14177.4 Ų77.466%0.65939%0.387SS*.Hα-helixtrans-69.2-37.9176.5-61.1-173.4-9.900110.8D6 E10 E11 E12D6-Q8 PolarHBondContact O-N 3.09Å; D6-Q8 WeakPolarHBondContact OD1-CB 3.39Å; D6-Q8 PolarHBondContact OD1-N 3.43Å; Q8-E10 VanDerWaalsContact C-N 3.34Å; Q8-E11 PolarHBondContact O-N 3.08Å; Q8-E12 WeakPolarHBondContact O-CG 3.49Å; Q8-E12 PolarHBondContact O-N 2.78Å
9K91.1Very high85.5Confident70 Ų7076.2 Ų76.230%0.30438%0.382SS..Hα-helixtrans-74-22.9173.9-60.3-57.7172.7-157.20113.6D6 E12 L13 L104D6-K9 HydrophobicContact CB-CB 4.13Å; D6-K9 HydrophobicContact CB-CG 4.02Å; D6-K9 PolarHBondContact O-N 2.68Å; D6-K9 VanDerWaalsContact O-N 3.11Å; K9-E12 VanDerWaalsContact CD-OE2 3.22Å; K9-E12 WeakPolarHBondContact CD-OE2 3.46Å; K9-E12 IonicContact NZ-OE1 3.53Å; K9-E12 PolarHBondContact NZ-OE1 3.2Å; K9-E12 IonicContact NZ-OE2 3.4Å; K9-E12 PolarHBondContact NZ-OE2 3.44Å; K9-L13 VanDerWaalsContact O-CB 3.29Å; K9-L13 WeakPolarHBondContact O-CB 3.41Å; K9-L13 WeakPolarHBondContact O-CD1 3.28Å; K9-L13 WeakPolarHBondContact O-CG 3.32Å; K9-L13 PolarHBondContact O-N 3.11Å; K9-L13 VanDerWaalsContact O-N 3.12Å; K9-L104 HydrophobicContact CB-CD1 4.28Å
10E93.5Very high85.8Confident36 Ų3673.5 Ų73.517%0.16837%0.37CS..Hα-helixtrans-65.9-45.1167.1-169.7-166.4126.500110.9Y5 D6 P7 Q8 L13 R14 F29 Q100Y5-E10 HydrophobicContact CE1-CB 4.48Å; Y5-E10 WeakPolarHBondContact CE1-OE2 3.47Å; Y5-E10 VanDerWaalsContact OH-CD 3.3Å; Y5-E10 WeakPolarHBondContact OH-CG 3.27Å; Y5-E10 PolarHBondContact OH-OE2 2.75Å; D6-E10 PolarHBondContact O-N 3.03Å; P7-E10 WeakPolarHBondContact O-CB 3.42Å; P7-E10 PolarHBondContact O-N 2.69Å; Q8-E10 VanDerWaalsContact C-N 3.34Å; E10-L13 PolarHBondContact O-N 2.65Å; E10-R14 WeakPolarHBondContact O-CB 3.24Å; E10-R14 PolarHBondContact O-N 2.97Å; E10-R14 IonicContact OE1-CZ 3.5Å; E10-R14 IonicContact OE1-NH2 2.68Å; E10-R14 PolarHBondContact OE1-NH2 3.28Å; E10-F29 HydrophobicContact CG-CB 3.85Å; E10-F29 HydrophobicContact CG-CD1 3.68Å; E10-F29 HydrophobicContact CG-CD2 4.02Å; E10-F29 HydrophobicContact CG-CE1 4.15Å; E10-F29 HydrophobicContact CG-CE2 4.45Å; E10-F29 HydrophobicContact CG-CG 3.61Å; E10-F29 WeakPolarHBondContact OE1-CB 3.41Å; E10-Q100 VanDerWaalsContact N-NE2 3.17Å
11E93Very high86.2Confident71 Ų7170.6 Ų70.633%0.33236%0.356SS..Hα-helixtrans-67.1-43.9-179.5-158.565.4-122.400112.2P7 Q8 L13 R14 F15P7-E11 PolarHBondContact O-N 2.95Å; P7-E11 VanDerWaalsContact O-N 3.14Å; Q8-E11 PolarHBondContact O-N 3.08Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.09Å; E11-R14 WeakPolarHBondContact O-CB 3.46Å; E11-R14 PolarHBondContact O-N 3.24Å; E11-R14 IonicContact OE1-CZ 3.91Å; E11-R14 IonicContact OE1-NE 2.65Å; E11-R14 IonicContact OE1-NH1 2.75Å; E11-R14 PolarHBondContact OE1-NH1 3.3Å; E11-R14 IonicContact OE2-CZ 2.69Å; E11-R14 IonicContact OE2-NH1 2.87Å; E11-R14 PolarHBondContact OE2-NH1 3.24Å; E11-R14 IonicContact OE2-NH2 2.64Å; E11-F15 HydrophobicContact CG-CD2 4.24Å; E11-F15 HydrophobicContact CG-CE2 3.7Å; E11-F15 HydrophobicContact CG-CZ 4.38Å; E11-F15 VanDerWaalsContact O-CD2 3.28Å; E11-F15 WeakPolarHBondContact O-CD2 3.31Å; E11-F15 PolarHBondContact O-N 2.91Å; E11-F15 VanDerWaalsContact O-N 3.08Å
12E92.3Very high88.6Confident64 Ų6464.1 Ų64.130%0.29934%0.34SS..Hα-helixtrans-57.9-44.1171.9-73.2172.9-149.600112Q8 K9 W16 I121Q8-E12 WeakPolarHBondContact O-CG 3.49Å; Q8-E12 PolarHBondContact O-N 2.78Å; K9-E12 VanDerWaalsContact CD-OE2 3.22Å; K9-E12 WeakPolarHBondContact CD-OE2 3.46Å; K9-E12 IonicContact NZ-OE1 3.53Å; K9-E12 PolarHBondContact NZ-OE1 3.2Å; K9-E12 IonicContact NZ-OE2 3.4Å; K9-E12 PolarHBondContact NZ-OE2 3.44Å; E12-W16 WeakPolarHBondContact O-CB 3.37Å; E12-W16 PolarHBondContact O-N 2.68Å; E12-W16 VanDerWaalsContact O-N 3.09Å; E12-I121 HydrophobicContact CB-CD1 3.94Å
13L94.4Very high90.8Very high0 Ų062.7 Ų62.70%032%0.317CS..Hα-helixtrans-64.1-40.3175.5-81.4174.9000112.2K9 E10 E11 W16 I17 F29 Q100 L103 L104 I121K9-L13 VanDerWaalsContact O-CB 3.29Å; K9-L13 WeakPolarHBondContact O-CB 3.41Å; K9-L13 WeakPolarHBondContact O-CD1 3.28Å; K9-L13 WeakPolarHBondContact O-CG 3.32Å; K9-L13 PolarHBondContact O-N 3.11Å; K9-L13 VanDerWaalsContact O-N 3.12Å; E10-L13 PolarHBondContact O-N 2.65Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.09Å; L13-W16 HydrophobicContact CD2-CE3 4.39Å; L13-W16 PolarHBondContact O-N 3.48Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.47Å; L13-I17 PolarHBondContact O-N 3.4Å; L13-F29 HydrophobicContact CB-CE2 4.17Å; L13-F29 HydrophobicContact CB-CZ 3.98Å; L13-F29 HydrophobicContact CD1-CZ 4.27Å; L13-Q100 HydrophobicContact CD1-CG 4.02Å; L13-L103 HydrophobicContact CD1-CB 3.81Å; L13-L103 HydrophobicContact CD1-CD1 4.39Å; L13-L103 HydrophobicContact CD2-CB 3.64Å; L13-L103 HydrophobicContact CG-CB 4.38Å; L13-L104 HydrophobicContact CD1-CD2 4.37Å; L13-L104 HydrophobicContact CD1-CG 4.18Å; L13-L104 HydrophobicContact CD2-CD2 4.06Å; L13-L104 HydrophobicContact CD2-CG 4.37Å; L13-L104 HydrophobicContact CG-CD2 4.04Å; L13-L104 HydrophobicContact CG-CG 4.37Å; L13-I121 HydrophobicContact CD2-CD1 3.79Å; L13-I121 HydrophobicContact CG-CD1 4.1Å
14R94.8Very high92.5Very high35 Ų3561.3 Ų61.313%0.13232%0.324CS..Hα-helixtrans-59.2-57.2179.2-168.2-175.9-57.3143.55.1109.9E10 E11 W16 I17 E18 I25 F29E10-R14 WeakPolarHBondContact O-CB 3.24Å; E10-R14 PolarHBondContact O-N 2.97Å; E10-R14 IonicContact OE1-CZ 3.5Å; E10-R14 IonicContact OE1-NH2 2.68Å; E10-R14 PolarHBondContact OE1-NH2 3.28Å; E11-R14 WeakPolarHBondContact O-CB 3.46Å; E11-R14 PolarHBondContact O-N 3.24Å; E11-R14 IonicContact OE1-CZ 3.91Å; E11-R14 IonicContact OE1-NE 2.65Å; E11-R14 IonicContact OE1-NH1 2.75Å; E11-R14 PolarHBondContact OE1-NH1 3.3Å; E11-R14 IonicContact OE2-CZ 2.69Å; E11-R14 IonicContact OE2-NH1 2.87Å; E11-R14 PolarHBondContact OE2-NH1 3.24Å; E11-R14 IonicContact OE2-NH2 2.64Å; R14-W16 VanDerWaalsContact C-N 3.29Å; R14-W16 PolarHBondContact O-N 3.38Å; R14-I17 PolarHBondContact O-N 3.28Å; R14-E18 WeakPolarHBondContact O-CB 3.4Å; R14-E18 VanDerWaalsContact O-CG 3.27Å; R14-E18 WeakPolarHBondContact O-CG 3.34Å; R14-E18 PolarHBondContact O-N 2.96Å; R14-I25 HydrophobicContact CG-CB 4.32Å; R14-I25 HydrophobicContact CG-CD1 4.08Å; R14-F29 HydrophobicContact CB-CD2 4.13Å; R14-F29 HydrophobicContact CB-CE2 4.25Å; R14-F29 HydrophobicContact CG-CD2 4.36Å
15F93.3Very high93.1Very high110 Ų11052.8 Ų52.848%0.48229%0.288SS..Hα-helixtrans-58.7-39178.9-66.8-53.5000112.6E11 E18 D19 I119E11-F15 HydrophobicContact CG-CD2 4.24Å; E11-F15 HydrophobicContact CG-CE2 3.7Å; E11-F15 HydrophobicContact CG-CZ 4.38Å; E11-F15 VanDerWaalsContact O-CD2 3.28Å; E11-F15 WeakPolarHBondContact O-CD2 3.31Å; E11-F15 PolarHBondContact O-N 2.91Å; E11-F15 VanDerWaalsContact O-N 3.08Å; F15-E18 PolarHBondContact O-N 3.08Å; F15-D19 WeakPolarHBondContact O-CB 3.49Å; F15-D19 PolarHBondContact O-N 2.64Å; F15-I119 HydrophobicContact CB-CD1 3.56Å; F15-I119 WeakPolarHBondContact O-CD1 3.43Å
16W93.9Very high93.2Very high3 Ų351.7 Ų51.71%0.01130%0.295CS..Hα-helixtrans-66-44.6178.7176.374.6000112.9E12 L13 R14 E18 D19 V20 L42 L46 L106 A107 A110 T117 I119 I121E12-W16 WeakPolarHBondContact O-CB 3.37Å; E12-W16 PolarHBondContact O-N 2.68Å; E12-W16 VanDerWaalsContact O-N 3.09Å; L13-W16 HydrophobicContact CD2-CE3 4.39Å; L13-W16 PolarHBondContact O-N 3.48Å; R14-W16 VanDerWaalsContact C-N 3.29Å; R14-W16 PolarHBondContact O-N 3.38Å; W16-E18 VanDerWaalsContact C-N 3.31Å; W16-E18 PolarHBondContact O-N 3.09Å; W16-D19 PolarHBondContact O-N 3.03Å; W16-V20 VanDerWaalsContact O-CG2 3.31Å; W16-V20 WeakPolarHBondContact O-CG2 3.49Å; W16-V20 PolarHBondContact O-N 3.3Å; W16-V20 VanDerWaalsContact O-N 3.08Å; W16-L42 HydrophobicContact CH2-CD1 4.12Å; W16-L42 HydrophobicContact CH2-CD2 4.45Å; W16-L42 HydrophobicContact CZ3-CD1 4.15Å; W16-L42 HydrophobicContact CZ3-CD2 4.07Å; W16-L46 HydrophobicContact CH2-CD1 4.16Å; W16-L46 HydrophobicContact CZ2-CD2 4.38Å; W16-L106 HydrophobicContact CH2-CG 4.35Å; W16-A107 HydrophobicContact CD2-CB 4.13Å; W16-A107 HydrophobicContact CE3-CB 4.08Å; W16-A107 HydrophobicContact CH2-CB 3.82Å; W16-A107 HydrophobicContact CZ2-CB 3.84Å; W16-A107 HydrophobicContact CZ3-CB 3.94Å; W16-A110 HydrophobicContact CZ2-CB 4.2Å; W16-T117 PolarHBondContact NE1-OG1 2.87Å; W16-I119 HydrophobicContact CB-CG2 4.36Å; W16-I121 HydrophobicContact CB-CD1 4.29Å; W16-I121 HydrophobicContact CB-CG2 3.85Å; W16-I121 HydrophobicContact CD2-CG2 3.97Å; W16-I121 HydrophobicContact CG-CG2 3.42Å; W16-I121 VanDerWaalsContact CG-CG2 3.42Å
17I94.8Very high93.1Very high0 Ų058.6 Ų58.60%033%0.326CS..Hα-helixtrans-65-39.3176.9-64.4169.7000110.2L13 R14 T21 I25 F29 L33 I38 L42 L103L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.47Å; L13-I17 PolarHBondContact O-N 3.4Å; R14-I17 PolarHBondContact O-N 3.28Å; I17-T21 HydrophobicContact CG2-CG2 4.16Å; I17-T21 WeakPolarHBondContact O-CB 3.35Å; I17-T21 WeakPolarHBondContact O-CG2 3.5Å; I17-T21 PolarHBondContact O-N 2.85Å; I17-T21 PolarHBondContact O-OG1 2.95Å; I17-I25 HydrophobicContact CB-CD1 3.94Å; I17-I25 HydrophobicContact CD1-CD1 4.28Å; I17-I25 HydrophobicContact CG2-CD1 3.88Å; I17-F29 HydrophobicContact CD1-CE2 4.29Å; I17-F29 HydrophobicContact CD1-CZ 4.36Å; I17-L33 HydrophobicContact CD1-CD1 4.37Å; I17-I38 HydrophobicContact CG2-CG2 3.48Å; I17-I38 VanDerWaalsContact CG2-CG2 3.48Å; I17-L42 HydrophobicContact CD1-CD2 4.4Å; I17-L42 HydrophobicContact CG1-CD1 4.5Å; I17-L42 HydrophobicContact CG1-CD2 3.99Å; I17-L42 HydrophobicContact CG2-CD1 4.5Å; I17-L42 HydrophobicContact CG2-CD2 4.43Å; I17-L103 HydrophobicContact CD1-CD1 4.23Å
18E94.9Very high93.2Very high50 Ų5057.9 Ų57.923%0.23432%0.317CS..Hα-helixtrans-67.2-40.8177.8-67.6-175.5165.500112.3R14 F15 W16 G22 M23 A24 I25R14-E18 WeakPolarHBondContact O-CB 3.4Å; R14-E18 VanDerWaalsContact O-CG 3.27Å; R14-E18 WeakPolarHBondContact O-CG 3.34Å; R14-E18 PolarHBondContact O-N 2.96Å; F15-E18 PolarHBondContact O-N 3.08Å; W16-E18 VanDerWaalsContact C-N 3.31Å; W16-E18 PolarHBondContact O-N 3.09Å; E18-G22 WeakPolarHBondContact O-CA 3.24Å; E18-G22 PolarHBondContact O-N 3.26Å; E18-M23 WeakPolarHBondContact CG-O 3.42Å; E18-A24 WeakPolarHBondContact OE1-CA 3.22Å; E18-I25 HydrophobicContact CG-CD1 4.34Å; E18-I25 HydrophobicContact CG-CG1 4.22Å; E18-I25 PolarHBondContact OE1-N 2.69Å
19D92.9Very high93.4Very high55 Ų5551.2 Ų51.229%0.29429%0.286SS..Hα-helixtrans-65.7-37.5175.5-170.657.7000112.7F15 W16 K118 I119F15-D19 WeakPolarHBondContact O-CB 3.49Å; F15-D19 PolarHBondContact O-N 2.64Å; W16-D19 PolarHBondContact O-N 3.03Å; D19-K118 IonicContact OD1-NZ 2.57Å; D19-K118 PolarHBondContact OD1-NZ 2.82Å; D19-K118 PolarHBondContact OD2-N 3.21Å; D19-K118 IonicContact OD2-NZ 3.64Å; D19-I119 HydrophobicContact CB-CD1 3.89Å
20V92.8Very high93.6Very high22 Ų2249 Ų4913%0.13328%0.277CS..Hα-helixtrans-77.9-43179.7175.20000112.2W16 L42 K45 T117W16-V20 VanDerWaalsContact O-CG2 3.31Å; W16-V20 WeakPolarHBondContact O-CG2 3.49Å; W16-V20 PolarHBondContact O-N 3.3Å; W16-V20 VanDerWaalsContact O-N 3.08Å; V20-L42 HydrophobicContact CB-CD1 3.96Å; V20-L42 HydrophobicContact CG1-CD1 3.69Å; V20-K45 HydrophobicContact CG1-CB 3.68Å; V20-K45 HydrophobicContact CG1-CG 4.07Å; V20-K45 WeakPolarHBondContact O-CG 3.29Å; V20-T117 HydrophobicContact CG2-CG2 3.49Å; V20-T117 VanDerWaalsContact CG2-CG2 3.49Å
21T93.5Very high93.6Very high12 Ų1254.5 Ų54.57%0.07430%0.3CS..Hα-helixtrans-88.2-30.8-174.8610000113.9I17 M23 I38 L42I17-T21 HydrophobicContact CG2-CG2 4.16Å; I17-T21 WeakPolarHBondContact O-CB 3.35Å; I17-T21 WeakPolarHBondContact O-CG2 3.5Å; I17-T21 PolarHBondContact O-N 2.85Å; I17-T21 PolarHBondContact O-OG1 2.95Å; T21-M23 PolarHBondContact OG1-N 3.33Å; T21-M23 VanDerWaalsContact OG1-N 3.09Å; T21-I38 HydrophobicContact CG2-CG2 4.18Å; T21-L42 HydrophobicContact CG2-CB 3.76Å; T21-L42 HydrophobicContact CG2-CD1 4.17Å
22G92.9Very high93.7Very high70 Ų7051.9 Ų51.972%0.72229%0.292SS*.  trans72.711.6-165.300000114E18E18-G22 WeakPolarHBondContact O-CA 3.24Å; E18-G22 PolarHBondContact O-N 3.26Å
23M93.2Very high93.9Very high71 Ų7148.9 Ų48.935%0.3528%0.278SS..  trans-112.2123.5-178.4-62.8-175.470.200110.9E18 T21 V37 I38 E41E18-M23 WeakPolarHBondContact CG-O 3.42Å; T21-M23 PolarHBondContact OG1-N 3.33Å; T21-M23 VanDerWaalsContact OG1-N 3.09Å; M23-V37 HydrophobicContact CE-CG1 4.09Å; M23-I38 HydrophobicContact CB-CD1 4.37Å; M23-I38 HydrophobicContact CB-CG1 4.16Å; M23-I38 HydrophobicContact CE-CG1 3.97Å; M23-I38 HydrophobicContact SD-CG1 4.24Å; M23-E41 HydrophobicContact SD-CB 4.33Å; M23-E41 HydrophobicContact SD-CG 4.39Å
24A94.4Very high94Very high82 Ų8252 Ų5268%0.67829%0.292SS*.  trans-71.1135.5176.400000112.2E18E18-A24 WeakPolarHBondContact OE1-CA 3.22Å
25I94.1Very high94Very high12 Ų1252.6 Ų52.66%0.06230%0.298CS..  trans-86-32.6175.8-61.9170.8000110.4R14 I17 E18 F29 G32 L33 I38R14-I25 HydrophobicContact CG-CB 4.32Å; R14-I25 HydrophobicContact CG-CD1 4.08Å; I17-I25 HydrophobicContact CB-CD1 3.94Å; I17-I25 HydrophobicContact CD1-CD1 4.28Å; I17-I25 HydrophobicContact CG2-CD1 3.88Å; E18-I25 HydrophobicContact CG-CD1 4.34Å; E18-I25 HydrophobicContact CG-CG1 4.22Å; E18-I25 PolarHBondContact OE1-N 2.69Å; I25-F29 HydrophobicContact CD1-CD2 4.16Å; I25-F29 HydrophobicContact CD1-CE2 4.07Å; I25-F29 HydrophobicContact CG2-CD2 4.17Å; I25-G32 WeakPolarHBondContact O-CA 3.19Å; I25-L33 HydrophobicContact CD1-CD2 3.88Å; I25-L33 HydrophobicContact CD1-CG 4.39Å; I25-L33 HydrophobicContact CG1-CD2 4.02Å; I25-L33 HydrophobicContact CG2-CD2 4.42Å; I25-L33 HydrophobicContact CG2-CG 4.2Å; I25-I38 HydrophobicContact CG1-CD1 3.89Å; I25-I38 HydrophobicContact CG1-CG2 4.41Å
26G92Very high94.1Very high39 Ų3947.3 Ų47.340%0.40228%0.275SS..  trans81.5-174.2-179.700000114.4N28G26-N28 PolarHBondContact O-N 3.12Å
27E90.3Very high94.2Very high199 Ų19947.5 Ų47.593%0.9328%0.276SS*.SBendtrans-56.6-25.6-167.8-60.3-179.4165.100115.6
28N94.4Very high94.3Very high73 Ų7347.9 Ų47.939%0.3928%0.278SS..  trans-125.1100.9-176.6-172.9-86.1000110.4G26 Q30 K31 G32G26-N28 PolarHBondContact O-N 3.12Å; N28-Q30 VanDerWaalsContact C-N 3.29Å; N28-Q30 PolarHBondContact O-N 3.14Å; N28-K31 HydrophobicContact CB-CB 4.21Å; N28-K31 HydrophobicContact CB-CD 4.11Å; N28-K31 HydrophobicContact CB-CG 4.43Å; N28-K31 PolarHBondContact O-N 3.44Å; N28-K31 VanDerWaalsContact O-N 3.09Å; N28-K31 WeakPolarHBondContact OD1-CB 3.44Å; N28-K31 VanDerWaalsContact OD1-CG 3.22Å; N28-K31 WeakPolarHBondContact OD1-CG 3.4Å; N28-K31 PolarHBondContact OD1-N 2.88Å; N28-G32 PolarHBondContact O-N 3.13Å
29F94.3Very high94.4Very high1 Ų145.5 Ų45.50%0.00427%0.267CS..Hα-helixtrans-53-42.8-175.1-175.1-102.7000113.4E10 L13 R14 I17 I25 L33 M96 L103E10-F29 HydrophobicContact CG-CB 3.85Å; E10-F29 HydrophobicContact CG-CD1 3.68Å; E10-F29 HydrophobicContact CG-CD2 4.02Å; E10-F29 HydrophobicContact CG-CE1 4.15Å; E10-F29 HydrophobicContact CG-CE2 4.45Å; E10-F29 HydrophobicContact CG-CG 3.61Å; E10-F29 WeakPolarHBondContact OE1-CB 3.41Å; L13-F29 HydrophobicContact CB-CE2 4.17Å; L13-F29 HydrophobicContact CB-CZ 3.98Å; L13-F29 HydrophobicContact CD1-CZ 4.27Å; R14-F29 HydrophobicContact CB-CD2 4.13Å; R14-F29 HydrophobicContact CB-CE2 4.25Å; R14-F29 HydrophobicContact CG-CD2 4.36Å; I17-F29 HydrophobicContact CD1-CE2 4.29Å; I17-F29 HydrophobicContact CD1-CZ 4.36Å; I25-F29 HydrophobicContact CD1-CD2 4.16Å; I25-F29 HydrophobicContact CD1-CE2 4.07Å; I25-F29 HydrophobicContact CG2-CD2 4.17Å; F29-L33 HydrophobicContact CD1-CD1 4.11Å; F29-L33 HydrophobicContact CD2-CD1 4.16Å; F29-L33 HydrophobicContact CE1-CD1 3.71Å; F29-L33 HydrophobicContact CE2-CD1 3.79Å; F29-L33 HydrophobicContact CG-CD1 4.32Å; F29-L33 HydrophobicContact CZ-CD1 3.54Å; F29-L33 WeakPolarHBondContact O-CG 3.45Å; F29-L33 PolarHBondContact O-N 3.25Å; F29-L33 VanDerWaalsContact O-N 3.13Å; F29-M96 HydrophobicContact CD1-CE 3.9Å; F29-M96 HydrophobicContact CE1-CE 4.22Å; F29-L103 HydrophobicContact CE1-CD1 4.21Å; F29-L103 HydrophobicContact CZ-CD1 3.89Å
30Q95Very high94.6Very high25 Ų2542.9 Ų42.912%0.11725%0.253CS..Hα-helixtrans-61.9-49.5176.6-174.9-87.1-2200112.2N28 L33 K34 L90 N93 M96N28-Q30 VanDerWaalsContact C-N 3.29Å; N28-Q30 PolarHBondContact O-N 3.14Å; Q30-L33 PolarHBondContact O-N 3.33Å; Q30-K34 VanDerWaalsContact O-CB 3.27Å; Q30-K34 WeakPolarHBondContact O-CB 3.41Å; Q30-K34 PolarHBondContact O-N 3.11Å; Q30-L90 HydrophobicContact CG-CD1 4.17Å; Q30-L90 PolarHBondContact NE2-O 3.36Å; Q30-N93 HydrophobicContact CG-CB 4.15Å; Q30-N93 WeakPolarHBondContact CG-OD1 3.41Å; Q30-M96 HydrophobicContact CB-CE 4.06Å; Q30-M96 HydrophobicContact CB-SD 3.99Å; Q30-M96 HydrophobicContact CG-CE 4.36Å; Q30-M96 HydrophobicContact CG-CG 4.33Å; Q30-M96 HydrophobicContact CG-SD 3.63Å
31K94.8Very high94.8Very high150 Ų15044.3 Ų44.365%0.65226%0.258SS*.Hα-helixtrans-67-38-179.7-72.3171.9-172.3173.30112.6N28 L33 K34N28-K31 HydrophobicContact CB-CB 4.21Å; N28-K31 HydrophobicContact CB-CD 4.11Å; N28-K31 HydrophobicContact CB-CG 4.43Å; N28-K31 PolarHBondContact O-N 3.44Å; N28-K31 VanDerWaalsContact O-N 3.09Å; N28-K31 WeakPolarHBondContact OD1-CB 3.44Å; N28-K31 VanDerWaalsContact OD1-CG 3.22Å; N28-K31 WeakPolarHBondContact OD1-CG 3.4Å; N28-K31 PolarHBondContact OD1-N 2.88Å; K31-L33 VanDerWaalsContact C-N 3.34Å; K31-K34 PolarHBondContact O-N 3.06Å
32G94.9Very high94.9Very high17 Ų1743.7 Ų43.718%0.17525%0.254CS..Hα-helixtrans-66.6-33.3178.200000113.3I25 N28I25-G32 WeakPolarHBondContact O-CA 3.19Å; N28-G32 PolarHBondContact O-N 3.13Å
33L96.5Very high95Very high0 Ų040.4 Ų40.40%022%0.22CC..Hα-helixtrans-91.3-13176.6-60.3179000114I17 I25 F29 Q30 K31 D35 G36 I38 L39 L90 L103I17-L33 HydrophobicContact CD1-CD1 4.37Å; I25-L33 HydrophobicContact CD1-CD2 3.88Å; I25-L33 HydrophobicContact CD1-CG 4.39Å; I25-L33 HydrophobicContact CG1-CD2 4.02Å; I25-L33 HydrophobicContact CG2-CD2 4.42Å; I25-L33 HydrophobicContact CG2-CG 4.2Å; F29-L33 HydrophobicContact CD1-CD1 4.11Å; F29-L33 HydrophobicContact CD2-CD1 4.16Å; F29-L33 HydrophobicContact CE1-CD1 3.71Å; F29-L33 HydrophobicContact CE2-CD1 3.79Å; F29-L33 HydrophobicContact CG-CD1 4.32Å; F29-L33 HydrophobicContact CZ-CD1 3.54Å; F29-L33 WeakPolarHBondContact O-CG 3.45Å; F29-L33 PolarHBondContact O-N 3.25Å; F29-L33 VanDerWaalsContact O-N 3.13Å; Q30-L33 PolarHBondContact O-N 3.33Å; K31-L33 VanDerWaalsContact C-N 3.34Å; L33-D35 PolarHBondContact O-N 2.82Å; L33-D35 VanDerWaalsContact O-N 3.15Å; L33-G36 PolarHBondContact O-N 2.57Å; L33-I38 HydrophobicContact CD2-CB 4Å; L33-I38 HydrophobicContact CD2-CG2 3.97Å; L33-L39 HydrophobicContact CB-CD1 4.42Å; L33-L39 HydrophobicContact CB-CG 4.48Å; L33-L39 HydrophobicContact CD1-CD2 4.32Å; L33-L39 HydrophobicContact CD2-CD2 3.99Å; L33-L39 HydrophobicContact CD2-CG 4.15Å; L33-L90 HydrophobicContact CB-CD1 4.19Å; L33-L90 HydrophobicContact CB-CD2 4.01Å; L33-L103 HydrophobicContact CD1-CD1 4.19Å
34K95.6Very high95.1Very high66 Ų6638.3 Ų38.329%0.28721%0.21SC..THydrogen-bonded Turntrans-60.2-23.7-174.5171.9165.2178.3154.60114.9Q30 K31 G36 F91Q30-K34 VanDerWaalsContact O-CB 3.27Å; Q30-K34 WeakPolarHBondContact O-CB 3.41Å; Q30-K34 PolarHBondContact O-N 3.11Å; K31-K34 PolarHBondContact O-N 3.06Å; K34-G36 VanDerWaalsContact C-N 3.33Å; K34-F91 HydrophobicContact CD-CD2 4.3Å; K34-F91 HydrophobicContact CD-CE2 4.45Å; K34-F91 WeakPolarHBondContact CD-O 3.09Å; K34-F91 VanDerWaalsContact CE-CE2 3.43Å; K34-F91 WeakPolarHBondContact CE-O 3.39Å; K34-F91 HydrophobicContact CG-CD2 3.79Å; K34-F91 HydrophobicContact CG-CE2 4.12Å; K34-F91 PolarHBondContact NZ-O 3.44Å
35D94.9Very high95.1Very high47 Ų4738.5 Ų38.525%0.25120%0.196SC..THydrogen-bonded Turntrans-82.6-10.9176.277.3-0.7000113.9L33 V37 K63 N66L33-D35 PolarHBondContact O-N 2.82Å; L33-D35 VanDerWaalsContact O-N 3.15Å; D35-V37 HydrophobicContact CB-CG2 4.34Å; D35-V37 PolarHBondContact O-N 2.97Å; D35-V37 WeakPolarHBondContact OD1-CB 3.27Å; D35-V37 PolarHBondContact OD1-N 3.42Å; D35-V37 WeakPolarHBondContact OD2-CG2 3.41Å; D35-K63 HydrophobicContact CB-CD 4.13Å; D35-K63 HydrophobicContact CB-CG 3.99Å; D35-N66 WeakPolarHBondContact O-CB 3.35Å; D35-N66 PolarHBondContact O-ND2 3.35Å
36G95.3Very high95Very high0 Ų038.5 Ų38.50%020%0.196CC..SBendtrans69.60.9-177.500000115.4L33 K34 C40L33-G36 PolarHBondContact O-N 2.57Å; K34-G36 VanDerWaalsContact C-N 3.33Å; G36-C40 WeakPolarHBondContact O-CB 3.47Å; G36-C40 PolarHBondContact O-N 3.25Å; G36-C40 PolarHBondContact O-SG 2.98Å
37V96.4Very high94.9Very high6 Ų640 Ų404%0.03619%0.192CC..Hα-helixtrans-67.9-51.8-176.2174.50000110.5M23 D35 L39 C40 E41 I54 H56M23-V37 HydrophobicContact CE-CG1 4.09Å; D35-V37 HydrophobicContact CB-CG2 4.34Å; D35-V37 PolarHBondContact O-N 2.97Å; D35-V37 WeakPolarHBondContact OD1-CB 3.27Å; D35-V37 PolarHBondContact OD1-N 3.42Å; D35-V37 WeakPolarHBondContact OD2-CG2 3.41Å; V37-L39 VanDerWaalsContact C-N 3.26Å; V37-L39 PolarHBondContact O-N 2.87Å; V37-C40 PolarHBondContact O-N 3.49Å; V37-E41 PolarHBondContact O-N 3.14Å; V37-I54 HydrophobicContact CB-CG2 4.26Å; V37-I54 HydrophobicContact CG1-CG2 4.07Å; V37-I54 HydrophobicContact CG2-CG2 4.04Å; V37-H56 VanDerWaalsContact CG1-CE1 3.5Å; V37-H56 WeakPolarHBondContact CG1-CE1 3.33Å
38I97.1Very high95Very high9 Ų936 Ų365%0.04618%0.184CC..Hα-helixtrans-60.8-37.9179-59.4179.2000110.7I17 T21 M23 I25 L33 E41 L42I17-I38 HydrophobicContact CG2-CG2 3.48Å; I17-I38 VanDerWaalsContact CG2-CG2 3.48Å; T21-I38 HydrophobicContact CG2-CG2 4.18Å; M23-I38 HydrophobicContact CB-CD1 4.37Å; M23-I38 HydrophobicContact CB-CG1 4.16Å; M23-I38 HydrophobicContact CE-CG1 3.97Å; M23-I38 HydrophobicContact SD-CG1 4.24Å; I25-I38 HydrophobicContact CG1-CD1 3.89Å; I25-I38 HydrophobicContact CG1-CG2 4.41Å; L33-I38 HydrophobicContact CD2-CB 4Å; L33-I38 HydrophobicContact CD2-CG2 3.97Å; I38-E41 PolarHBondContact O-N 2.86Å; I38-L42 VanDerWaalsContact O-CB 3.28Å; I38-L42 WeakPolarHBondContact O-CB 3.49Å; I38-L42 PolarHBondContact O-N 2.6Å
39L97.1Very high94.7Very high0 Ų035.1 Ų35.10%019%0.192CC..Hα-helixtrans-68.6-43178-65.5-178.7000112.5L33 V37 E41 L42 I43 L67 F70 F85 L90 L103L33-L39 HydrophobicContact CB-CD1 4.42Å; L33-L39 HydrophobicContact CB-CG 4.48Å; L33-L39 HydrophobicContact CD1-CD2 4.32Å; L33-L39 HydrophobicContact CD2-CD2 3.99Å; L33-L39 HydrophobicContact CD2-CG 4.15Å; V37-L39 VanDerWaalsContact C-N 3.26Å; V37-L39 PolarHBondContact O-N 2.87Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 2.95Å; L39-L42 HydrophobicContact CD2-CD2 4.34Å; L39-L42 WeakPolarHBondContact O-CB 3.4Å; L39-L42 PolarHBondContact O-N 2.9Å; L39-I43 PolarHBondContact O-N 3.1Å; L39-I43 VanDerWaalsContact O-N 3.1Å; L39-L67 HydrophobicContact CD1-CD2 3.86Å; L39-F70 VanDerWaalsContact C-CD2 3.5Å; L39-F70 HydrophobicContact CB-CB 4.31Å; L39-F70 HydrophobicContact CB-CD1 4.11Å; L39-F70 HydrophobicContact CB-CD2 3.7Å; L39-F70 HydrophobicContact CB-CE1 4.32Å; L39-F70 HydrophobicContact CB-CE2 3.92Å; L39-F70 HydrophobicContact CB-CG 3.77Å; L39-F70 HydrophobicContact CB-CZ 4.22Å; L39-F70 HydrophobicContact CD1-CD1 4.11Å; L39-F70 HydrophobicContact CD1-CE1 4.14Å; L39-F70 HydrophobicContact CD2-CE1 4.38Å; L39-F70 HydrophobicContact CD2-CE2 4.4Å; L39-F70 HydrophobicContact CD2-CZ 4.08Å; L39-F70 WeakPolarHBondContact O-CD2 3.22Å; L39-F70 WeakPolarHBondContact O-CE2 3.43Å; L39-F85 HydrophobicContact CD1-CZ 4.08Å; L39-L90 HydrophobicContact CD1-CD2 3.55Å; L39-L103 HydrophobicContact CD2-CD2 3.88Å
40C97Very high94.6Very high0 Ų036.8 Ų36.80%020%0.202CC..Hα-helixtrans-63.2-37.2174-75.50000112.6G36 V37 I43 N44 V51 I54 N66G36-C40 WeakPolarHBondContact O-CB 3.47Å; G36-C40 PolarHBondContact O-N 3.25Å; G36-C40 PolarHBondContact O-SG 2.98Å; V37-C40 PolarHBondContact O-N 3.49Å; C40-I43 WeakPolarHBondContact O-CG2 3.27Å; C40-N44 WeakPolarHBondContact O-CB 3.46Å; C40-N44 PolarHBondContact O-N 3Å; C40-V51 HydrophobicContact CB-CB 4.43Å; C40-V51 HydrophobicContact CB-CG1 4.03Å; C40-V51 HydrophobicContact CB-CG2 4.46Å; C40-I54 HydrophobicContact CB-CD1 3.59Å; C40-I54 HydrophobicContact CB-CG1 3.74Å; C40-I54 HydrophobicContact CB-CG2 4.16Å; C40-N66 PolarHBondContact SG-O 2.84Å
41E96.1Very high94.6Very high51 Ų5136 Ų3624%0.23820%0.199CC..Hα-helixtrans-71.3-42.4174.8-172.658.4-165.200111.5M23 V37 I38 L39 I43 N44 K45M23-E41 HydrophobicContact SD-CB 4.33Å; M23-E41 HydrophobicContact SD-CG 4.39Å; V37-E41 PolarHBondContact O-N 3.14Å; I38-E41 PolarHBondContact O-N 2.86Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 2.95Å; E41-I43 PolarHBondContact O-N 3.38Å; E41-N44 CarbonylContact O-C 3.56Å; E41-N44 WeakPolarHBondContact O-CA 3.07Å; E41-N44 WeakPolarHBondContact O-CB 3.35Å; E41-N44 PolarHBondContact O-N 2.87Å; E41-K45 WeakPolarHBondContact O-CG 3.39Å; E41-K45 PolarHBondContact O-N 3.03Å; E41-K45 VanDerWaalsContact OE1-CE 3.24Å; E41-K45 WeakPolarHBondContact OE1-CE 3.25Å; E41-K45 IonicContact OE1-NZ 3.98Å; E41-K45 PolarHBondContact OE1-NZ 3.48Å
42L95.8Very high94.4Very high0 Ų038.7 Ų38.70%021%0.211CC..Hα-helixtrans-51.1-52.3174.5176.168.9000111.5W16 I17 V20 T21 I38 L39 N44 K45 L46 L106W16-L42 HydrophobicContact CH2-CD1 4.12Å; W16-L42 HydrophobicContact CH2-CD2 4.45Å; W16-L42 HydrophobicContact CZ3-CD1 4.15Å; W16-L42 HydrophobicContact CZ3-CD2 4.07Å; I17-L42 HydrophobicContact CD1-CD2 4.4Å; I17-L42 HydrophobicContact CG1-CD1 4.5Å; I17-L42 HydrophobicContact CG1-CD2 3.99Å; I17-L42 HydrophobicContact CG2-CD1 4.5Å; I17-L42 HydrophobicContact CG2-CD2 4.43Å; V20-L42 HydrophobicContact CB-CD1 3.96Å; V20-L42 HydrophobicContact CG1-CD1 3.69Å; T21-L42 HydrophobicContact CG2-CB 3.76Å; T21-L42 HydrophobicContact CG2-CD1 4.17Å; I38-L42 VanDerWaalsContact O-CB 3.28Å; I38-L42 WeakPolarHBondContact O-CB 3.49Å; I38-L42 PolarHBondContact O-N 2.6Å; L39-L42 HydrophobicContact CD2-CD2 4.34Å; L39-L42 WeakPolarHBondContact O-CB 3.4Å; L39-L42 PolarHBondContact O-N 2.9Å; L42-N44 VanDerWaalsContact C-N 3.28Å; L42-N44 PolarHBondContact O-N 3.36Å; L42-K45 WeakPolarHBondContact O-CB 3.28Å; L42-K45 PolarHBondContact O-N 2.98Å; L42-K45 VanDerWaalsContact O-N 3.14Å; L42-L46 HydrophobicContact CD1-CD1 4.5Å; L42-L46 HydrophobicContact CG-CD1 4.33Å; L42-L46 WeakPolarHBondContact O-CG 3.33Å; L42-L46 PolarHBondContact O-N 3.43Å; L42-L106 HydrophobicContact CD2-CD2 4.01Å
43I95.8Very high94.3Very high0 Ų043.8 Ų43.80%023%0.228CC..Hα-helixtrans-69.9-25.6-180-163.454.2000112.8L39 C40 E41 L46 Q47 V51 F70 A73 I74 Y77 L106L39-I43 PolarHBondContact O-N 3.1Å; L39-I43 VanDerWaalsContact O-N 3.1Å; C40-I43 WeakPolarHBondContact O-CG2 3.27Å; E41-I43 PolarHBondContact O-N 3.38Å; I43-L46 HydrophobicContact CD1-CB 4.18Å; I43-L46 HydrophobicContact CD1-CD1 4.25Å; I43-L46 PolarHBondContact O-N 3.23Å; I43-Q47 PolarHBondContact O-N 3.34Å; I43-V51 HydrophobicContact CG2-CG2 3.7Å; I43-F70 HydrophobicContact CB-CD2 3.99Å; I43-F70 HydrophobicContact CB-CE2 4.04Å; I43-F70 HydrophobicContact CG2-CD2 3.85Å; I43-F70 HydrophobicContact CG2-CE2 4.41Å; I43-A73 HydrophobicContact CB-CB 4.31Å; I43-A73 HydrophobicContact CG1-CB 3.64Å; I43-A73 HydrophobicContact CG2-CB 3.74Å; I43-I74 HydrophobicContact CD1-CG2 4.01Å; I43-I74 HydrophobicContact CG1-CG2 4.19Å; I43-Y77 HydrophobicContact CD1-CD2 3.88Å; I43-Y77 HydrophobicContact CD1-CE2 4.44Å; I43-Y77 HydrophobicContact CD1-CG 3.94Å; I43-L106 HydrophobicContact CD1-CD1 4.15Å
44N95.3Very high94.2Very high27 Ų2745.3 Ų45.314%0.14424%0.236CC..Hα-helixtrans-72-30.9169.9-84.7-18.8000113.1C40 E41 L42 Q47 P48 T50 V51C40-N44 WeakPolarHBondContact O-CB 3.46Å; C40-N44 PolarHBondContact O-N 3Å; E41-N44 CarbonylContact O-C 3.56Å; E41-N44 WeakPolarHBondContact O-CA 3.07Å; E41-N44 WeakPolarHBondContact O-CB 3.35Å; E41-N44 PolarHBondContact O-N 2.87Å; L42-N44 VanDerWaalsContact C-N 3.28Å; L42-N44 PolarHBondContact O-N 3.36Å; N44-Q47 CarbonylContact O-C 3.37Å; N44-P48 VanDerWaalsContact O-CA 3.27Å; N44-P48 WeakPolarHBondContact O-CA 3.46Å; N44-T50 PolarHBondContact OD1-N 3.25Å; N44-V51 PolarHBondContact ND2-O 3.37Å; N44-V51 PolarHBondContact OD1-N 2.85Å; N44-V51 PolarHBondContact OD1-O 3.29Å
45K93.6Very high94.2Very high87 Ų8742.7 Ų42.738%0.37823%0.225SC..Hα-helixtrans-68.6-43.2169.1-58.2-56.1-163.1-151.70111.3V20 E41 L42V20-K45 HydrophobicContact CG1-CB 3.68Å; V20-K45 HydrophobicContact CG1-CG 4.07Å; V20-K45 WeakPolarHBondContact O-CG 3.29Å; E41-K45 WeakPolarHBondContact O-CG 3.39Å; E41-K45 PolarHBondContact O-N 3.03Å; E41-K45 VanDerWaalsContact OE1-CE 3.24Å; E41-K45 WeakPolarHBondContact OE1-CE 3.25Å; E41-K45 IonicContact OE1-NZ 3.98Å; E41-K45 PolarHBondContact OE1-NZ 3.48Å; L42-K45 WeakPolarHBondContact O-CB 3.28Å; L42-K45 PolarHBondContact O-N 2.98Å; L42-K45 VanDerWaalsContact O-N 3.14Å
46L92.1Very high94.2Very high12 Ų1247.2 Ų47.26%0.06324%0.244CC..Hα-helixtrans-71-31.5-179.5-66.7-179.9000113.4W16 L42 I43 Y77 L106 A110 M115W16-L46 HydrophobicContact CH2-CD1 4.16Å; W16-L46 HydrophobicContact CZ2-CD2 4.38Å; L42-L46 HydrophobicContact CD1-CD1 4.5Å; L42-L46 HydrophobicContact CG-CD1 4.33Å; L42-L46 WeakPolarHBondContact O-CG 3.33Å; L42-L46 PolarHBondContact O-N 3.43Å; I43-L46 HydrophobicContact CD1-CB 4.18Å; I43-L46 HydrophobicContact CD1-CD1 4.25Å; I43-L46 PolarHBondContact O-N 3.23Å; L46-Y77 HydrophobicContact CB-CE2 3.9Å; L46-Y77 WeakPolarHBondContact O-CE2 3.41Å; L46-L106 HydrophobicContact CD1-CD1 3.86Å; L46-L106 HydrophobicContact CD1-CD2 3.98Å; L46-L106 HydrophobicContact CD1-CG 3.81Å; L46-A110 HydrophobicContact CD1-CB 4.33Å; L46-A110 HydrophobicContact CD2-CB 3.59Å; L46-M115 HydrophobicContact CD2-CE 4.1Å; L46-M115 HydrophobicContact CD2-CG 4.13Å
47Q91.1Very high94.1Very high69 Ų6949.4 Ų49.432%0.32226%0.26SS..SBendtrans-150100.8173.7-174173.3-42.100110.1I43 N44 G49 T50 Y77I43-Q47 PolarHBondContact O-N 3.34Å; N44-Q47 CarbonylContact O-C 3.37Å; Q47-G49 PolarHBondContact O-N 3.26Å; Q47-T50 WeakPolarHBondContact CB-OG1 3.08Å; Q47-T50 VanDerWaalsContact CG-OG1 3.31Å; Q47-T50 WeakPolarHBondContact CG-OG1 3.4Å; Q47-T50 PolarHBondContact O-N 2.97Å; Q47-T50 PolarHBondContact O-OG1 2.83Å; Q47-Y77 HydrophobicContact CB-CD2 3.88Å; Q47-Y77 HydrophobicContact CB-CE2 3.89Å
48P92.3Very high93.8Very high116 Ų11655.8 Ų55.875%0.75329%0.289SS*.THydrogen-bonded Turntrans-53.9134-177.1-31.137.2000114.5N44N44-P48 VanDerWaalsContact O-CA 3.27Å; N44-P48 WeakPolarHBondContact O-CA 3.46Å
49G88.4Confident93.7Very high55 Ų5559.8 Ų59.857%0.56731%0.31SS*.THydrogen-bonded Turntrans80.67.3174.600000116Q47Q47-G49 PolarHBondContact O-N 3.26Å
50T91.8Very high93.6Very high35 Ų3564.6 Ų64.622%0.21534%0.336CS..SBendtrans-69.7-41.3-178.4-50.30000112.1N44 Q47 A73N44-T50 PolarHBondContact OD1-N 3.25Å; Q47-T50 WeakPolarHBondContact CB-OG1 3.08Å; Q47-T50 VanDerWaalsContact CG-OG1 3.31Å; Q47-T50 WeakPolarHBondContact CG-OG1 3.4Å; Q47-T50 PolarHBondContact O-N 2.97Å; Q47-T50 PolarHBondContact O-OG1 2.83Å; T50-A73 HydrophobicContact CG2-CB 3.47Å; T50-A73 VanDerWaalsContact CG2-CB 3.47Å
51V94.1Very high93.5Very high9 Ų971.8 Ų71.86%0.05536%0.363CS..SBendtrans-106.6102.6172.2-179.70000109.4C40 I43 N44 K53 I54 N69 A73C40-V51 HydrophobicContact CB-CB 4.43Å; C40-V51 HydrophobicContact CB-CG1 4.03Å; C40-V51 HydrophobicContact CB-CG2 4.46Å; I43-V51 HydrophobicContact CG2-CG2 3.7Å; N44-V51 PolarHBondContact ND2-O 3.37Å; N44-V51 PolarHBondContact OD1-N 2.85Å; N44-V51 PolarHBondContact OD1-O 3.29Å; V51-K53 WeakPolarHBondContact CG1-O 3.48Å; V51-K53 PolarHBondContact O-N 2.89Å; V51-I54 HydrophobicContact CG1-CG1 4.02Å; V51-N69 HydrophobicContact CG1-CB 4.28Å; V51-A73 HydrophobicContact CG2-CB 3.87Å
52K90.9Very high93.5Very high206 Ų20670.7 Ų70.790%0.89636%0.358SS*.  trans-73.1-22.5-173.2-62-176.9-179.4-179.30115.3
53K92.5Very high93.5Very high125 Ų12572.1 Ų72.154%0.54336%0.364SS..  trans-145.4130.9-178.5-175.3-164.4178.2-137.10108.6V51 N55V51-K53 WeakPolarHBondContact CG1-O 3.48Å; V51-K53 PolarHBondContact O-N 2.89Å; K53-N55 VanDerWaalsContact CE-OD1 3.28Å; K53-N55 WeakPolarHBondContact CE-OD1 3.34Å; K53-N55 PolarHBondContact NZ-OD1 3.32Å
54I95.5Very high93.5Very high32 Ų3274.9 Ų74.916%0.16438%0.379CS..  trans-115.9135.6173.6-52.6179.8000107.4V37 C40 V51V37-I54 HydrophobicContact CB-CG2 4.26Å; V37-I54 HydrophobicContact CG1-CG2 4.07Å; V37-I54 HydrophobicContact CG2-CG2 4.04Å; C40-I54 HydrophobicContact CB-CD1 3.59Å; C40-I54 HydrophobicContact CB-CG1 3.74Å; C40-I54 HydrophobicContact CB-CG2 4.16Å; V51-I54 HydrophobicContact CG1-CG1 4.02Å
55N95.1Very high93.6Very high10 Ų1077.1 Ų77.15%0.05339%0.388CS..  trans-99.2117.1-179.8-57.4-62.5000110.6K53 H62 E65 N66K53-N55 VanDerWaalsContact CE-OD1 3.28Å; K53-N55 WeakPolarHBondContact CE-OD1 3.34Å; K53-N55 PolarHBondContact NZ-OD1 3.32Å; N55-H62 HydrophobicContact CB-CB 3.73Å; N55-H62 VanDerWaalsContact CG-CD2 3.43Å; N55-E65 PolarHBondContact ND2-OE2 3.29Å; N55-N66 WeakPolarHBondContact CB-OD1 3.5Å; N55-N66 PolarHBondContact N-OD1 3.05Å; N55-N66 PolarHBondContact ND2-OD1 3.08Å; N55-N66 PolarHBondContact O-ND2 3.27Å
56H93.9Very high93.8Very high142 Ų14273 Ų7366%0.65737%0.37SS*.  trans-9513.5178.7-57.7-86.9000113.6V37V37-H56 VanDerWaalsContact CG1-CE1 3.5Å; V37-H56 WeakPolarHBondContact CG1-CE1 3.33Å
57S93.4Very high94Very high47 Ų4772.4 Ų72.433%0.32937%0.367SS..  trans-85.8141.6-178.2168.30000111.4L59 H62S57-L59 PolarHBondContact O-N 2.85Å; S57-L59 VanDerWaalsContact O-N 3.15Å; S57-H62 WeakPolarHBondContact CB-ND1 3.24Å; S57-H62 PolarHBondContact OG-ND1 3.24Å; S57-H62 VanDerWaalsContact OG-ND1 3.15Å
58Q91.4Very high94.2Very high139 Ų13970 Ų7065%0.6536%0.361SS*.  trans-71.2-8-173.7-69.1-62.1-22.400115.1K63Q58-K63 WeakPolarHBondContact O-CE 3.41Å; Q58-K63 PolarHBondContact O-NZ 3.12Å
59L94.4Very high94.5Very high93 Ų9366.2 Ų66.249%0.48733%0.334SS..  trans-63.9135.1-179.8-57.6177000112S57 W61 H62 K63S57-L59 PolarHBondContact O-N 2.85Å; S57-L59 VanDerWaalsContact O-N 3.15Å; L59-W61 VanDerWaalsContact C-N 3.27Å; L59-W61 PolarHBondContact O-N 2.82Å; L59-H62 WeakPolarHBondContact O-CB 3.48Å; L59-H62 PolarHBondContact O-N 2.98Å; L59-H62 VanDerWaalsContact O-N 3.12Å; L59-K63 PolarHBondContact O-N 3.47Å
60N95.6Very high94.9Very high101 Ų10163.6 Ų63.654%0.5431%0.307SS..Hα-helixtrans-56.2-37.8-175.5-67.4-8.6000113.7H62 K63 L64 F91N60-H62 PolarHBondContact O-N 3.15Å; N60-K63 WeakPolarHBondContact O-CB 3.48Å; N60-K63 PolarHBondContact O-N 3.42Å; N60-L64 PolarHBondContact O-N 3.19Å; N60-F91 HydrophobicContact CB-CZ 3.83Å
61W95.3Very high95.1Very high152 Ų15263.2 Ų63.258%0.57630%0.304SS*.Hα-helixtrans-68.4-33.9-179.171.5-98.7000113.1L59 K63 L64 E65L59-W61 VanDerWaalsContact C-N 3.27Å; L59-W61 PolarHBondContact O-N 2.82Å; W61-K63 VanDerWaalsContact C-N 3.3Å; W61-K63 PolarHBondContact O-N 3.15Å; W61-L64 PolarHBondContact O-N 3.15Å; W61-E65 WeakPolarHBondContact O-CB 3.4Å; W61-E65 PolarHBondContact O-N 2.88Å
62H95.6Very high95.2Very high28 Ų2868.7 Ų68.713%0.1333%0.327CS..Hα-helixtrans-65.1-35.9173.8-79.5135.8000111.8N55 S57 L59 N60 E65 N66N55-H62 HydrophobicContact CB-CB 3.73Å; N55-H62 VanDerWaalsContact CG-CD2 3.43Å; S57-H62 WeakPolarHBondContact CB-ND1 3.24Å; S57-H62 PolarHBondContact OG-ND1 3.24Å; S57-H62 VanDerWaalsContact OG-ND1 3.15Å; L59-H62 WeakPolarHBondContact O-CB 3.48Å; L59-H62 PolarHBondContact O-N 2.98Å; L59-H62 VanDerWaalsContact O-N 3.12Å; N60-H62 PolarHBondContact O-N 3.15Å; H62-E65 PolarHBondContact O-N 3.38Å; H62-N66 VanDerWaalsContact O-CG 3.29Å; H62-N66 PolarHBondContact O-N 3.5Å
63K95.8Very high95.4Very high29 Ų2959 Ų5913%0.12629%0.285CS..Hα-helixtrans-68.9-45.3177.4-63.2176.1173.2158.80111.1D35 Q58 L59 N60 W61 E65 N66 L67 F91D35-K63 HydrophobicContact CB-CD 4.13Å; D35-K63 HydrophobicContact CB-CG 3.99Å; Q58-K63 WeakPolarHBondContact O-CE 3.41Å; Q58-K63 PolarHBondContact O-NZ 3.12Å; L59-K63 PolarHBondContact O-N 3.47Å; N60-K63 WeakPolarHBondContact O-CB 3.48Å; N60-K63 PolarHBondContact O-N 3.42Å; W61-K63 VanDerWaalsContact C-N 3.3Å; W61-K63 PolarHBondContact O-N 3.15Å; K63-E65 VanDerWaalsContact C-N 3.32Å; K63-E65 PolarHBondContact O-N 3.49Å; K63-N66 WeakPolarHBondContact O-CB 3.26Å; K63-N66 PolarHBondContact O-N 3.47Å; K63-L67 WeakPolarHBondContact O-CG 3.42Å; K63-L67 PolarHBondContact O-N 3.1Å; K63-F91 HydrophobicContact CB-CD2 4.32Å; K63-F91 HydrophobicContact CB-CE2 3.92Å; K63-F91 HydrophobicContact CD-CE2 4.23Å
64L96Very high95.6Very high59 Ų5953 Ų5331%0.30926%0.259SS..Hα-helixtrans-62.8-35.9171.9-69.2170.5000112.3N60 W61 L67 G68 A87 F91N60-L64 PolarHBondContact O-N 3.19Å; W61-L64 PolarHBondContact O-N 3.15Å; L64-L67 PolarHBondContact O-N 3.27Å; L64-G68 PolarHBondContact O-N 2.85Å; L64-A87 HydrophobicContact CD2-CB 4.08Å; L64-F91 HydrophobicContact CD2-CB 3.76Å; L64-F91 HydrophobicContact CD2-CD1 4.01Å; L64-F91 HydrophobicContact CD2-CD2 4.11Å; L64-F91 HydrophobicContact CD2-CG 3.69Å; L64-F91 HydrophobicContact CG-CD1 4.47Å; L64-F91 HydrophobicContact CG-CD2 4.35Å; L64-F91 HydrophobicContact CG-CG 4.3Å
65E96.6Very high95.6Very high73 Ų7355.1 Ų55.134%0.34127%0.27SS..Hα-helixtrans-63.9-44.1173.7-170-174.8-169.900111.6N55 W61 H62 K63 G68 N69N55-E65 PolarHBondContact ND2-OE2 3.29Å; W61-E65 WeakPolarHBondContact O-CB 3.4Å; W61-E65 PolarHBondContact O-N 2.88Å; H62-E65 PolarHBondContact O-N 3.38Å; K63-E65 VanDerWaalsContact C-N 3.32Å; K63-E65 PolarHBondContact O-N 3.49Å; E65-G68 PolarHBondContact O-N 3.47Å; E65-N69 WeakPolarHBondContact O-CB 3.07Å; E65-N69 PolarHBondContact O-N 2.77Å; E65-N69 PolarHBondContact O-ND2 3.42Å
66N96.9Very high95.5Very high0 Ų059.4 Ų59.40%030%0.297CS..Hα-helixtrans-58.4-50.6174.2-68.3-19.4000111D35 C40 N55 H62 K63 G68 N69 F70D35-N66 WeakPolarHBondContact O-CB 3.35Å; D35-N66 PolarHBondContact O-ND2 3.35Å; C40-N66 PolarHBondContact SG-O 2.84Å; N55-N66 WeakPolarHBondContact CB-OD1 3.5Å; N55-N66 PolarHBondContact N-OD1 3.05Å; N55-N66 PolarHBondContact ND2-OD1 3.08Å; N55-N66 PolarHBondContact O-ND2 3.27Å; H62-N66 VanDerWaalsContact O-CG 3.29Å; H62-N66 PolarHBondContact O-N 3.5Å; K63-N66 WeakPolarHBondContact O-CB 3.26Å; K63-N66 PolarHBondContact O-N 3.47Å; N66-G68 PolarHBondContact O-N 2.68Å; N66-N69 PolarHBondContact O-N 3.41Å; N66-N69 VanDerWaalsContact O-N 3.08Å; N66-F70 PolarHBondContact O-N 3.45Å
67L96.9Very high95.5Very high0 Ų053 Ų530%027%0.267CS..Hα-helixtrans-59.3-44.1177.9-66.4178.3000112.1L39 K63 L64 N69 F70 I71 A87 L90 F91L39-L67 HydrophobicContact CD1-CD2 3.86Å; K63-L67 WeakPolarHBondContact O-CG 3.42Å; K63-L67 PolarHBondContact O-N 3.1Å; L64-L67 PolarHBondContact O-N 3.27Å; L67-N69 VanDerWaalsContact C-N 3.28Å; L67-N69 PolarHBondContact O-N 2.71Å; L67-F70 PolarHBondContact O-N 3.47Å; L67-I71 WeakPolarHBondContact O-CD1 3.47Å; L67-I71 VanDerWaalsContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.33Å; L67-I71 PolarHBondContact O-N 3.47Å; L67-A87 HydrophobicContact CB-CB 3.95Å; L67-A87 HydrophobicContact CD1-CB 4.48Å; L67-L90 HydrophobicContact CD2-CD2 3.7Å; L67-L90 HydrophobicContact CD2-CG 4.46Å; L67-F91 HydrophobicContact CD1-CB 4Å
68G96.6Very high95.4Very high18 Ų1852.8 Ų52.819%0.18627%0.273CS..Hα-helixtrans-64.2-29.2175.100000113.8L64 E65 N66 K72L64-G68 PolarHBondContact O-N 2.85Å; E65-G68 PolarHBondContact O-N 3.47Å; N66-G68 PolarHBondContact O-N 2.68Å; G68-K72 VanDerWaalsContact O-CD 3.3Å; G68-K72 WeakPolarHBondContact O-CD 3.43Å; G68-K72 VanDerWaalsContact O-CE 3.31Å; G68-K72 WeakPolarHBondContact O-CE 3.47Å; G68-K72 VanDerWaalsContact O-CG 3.23Å; G68-K72 WeakPolarHBondContact O-CG 3.4Å; G68-K72 PolarHBondContact O-N 3.23Å
69N96.8Very high95.5Very high37 Ų3746.6 Ų46.620%0.19824%0.244CC..Hα-helixtrans-77.4-39.3174.5-70.5-20.1000111.8V51 E65 N66 L67 K72 A73V51-N69 HydrophobicContact CG1-CB 4.28Å; E65-N69 WeakPolarHBondContact O-CB 3.07Å; E65-N69 PolarHBondContact O-N 2.77Å; E65-N69 PolarHBondContact O-ND2 3.42Å; N66-N69 PolarHBondContact O-N 3.41Å; N66-N69 VanDerWaalsContact O-N 3.08Å; L67-N69 VanDerWaalsContact C-N 3.28Å; L67-N69 PolarHBondContact O-N 2.71Å; N69-K72 PolarHBondContact O-N 2.86Å; N69-K72 PolarHBondContact OD1-NZ 3.16Å; N69-A73 WeakPolarHBondContact O-CB 3.28Å; N69-A73 PolarHBondContact O-N 2.96Å
70F97.3Very high95.3Very high0 Ų048.2 Ų48.20%025%0.247CC..Hα-helixtrans-60.2-45.4170.7174.6-105.3000112.2L39 I43 N66 L67 K72 A73 I74 F85 L103 L106L39-F70 VanDerWaalsContact C-CD2 3.5Å; L39-F70 HydrophobicContact CB-CB 4.31Å; L39-F70 HydrophobicContact CB-CD1 4.11Å; L39-F70 HydrophobicContact CB-CD2 3.7Å; L39-F70 HydrophobicContact CB-CE1 4.32Å; L39-F70 HydrophobicContact CB-CE2 3.92Å; L39-F70 HydrophobicContact CB-CG 3.77Å; L39-F70 HydrophobicContact CB-CZ 4.22Å; L39-F70 HydrophobicContact CD1-CD1 4.11Å; L39-F70 HydrophobicContact CD1-CE1 4.14Å; L39-F70 HydrophobicContact CD2-CE1 4.38Å; L39-F70 HydrophobicContact CD2-CE2 4.4Å; L39-F70 HydrophobicContact CD2-CZ 4.08Å; L39-F70 WeakPolarHBondContact O-CD2 3.22Å; L39-F70 WeakPolarHBondContact O-CE2 3.43Å; I43-F70 HydrophobicContact CB-CD2 3.99Å; I43-F70 HydrophobicContact CB-CE2 4.04Å; I43-F70 HydrophobicContact CG2-CD2 3.85Å; I43-F70 HydrophobicContact CG2-CE2 4.41Å; N66-F70 PolarHBondContact O-N 3.45Å; L67-F70 PolarHBondContact O-N 3.47Å; F70-K72 VanDerWaalsContact C-N 3.35Å; F70-K72 PolarHBondContact O-N 3.11Å; F70-A73 WeakPolarHBondContact O-CA 3.4Å; F70-A73 WeakPolarHBondContact O-CB 3.32Å; F70-A73 PolarHBondContact O-N 2.69Å; F70-I74 HydrophobicContact CD1-CD1 4.31Å; F70-I74 HydrophobicContact CD2-CG2 4.08Å; F70-I74 HydrophobicContact CE1-CD1 3.87Å; F70-I74 HydrophobicContact CE1-CG2 4.08Å; F70-I74 HydrophobicContact CE2-CG2 3.62Å; F70-I74 HydrophobicContact CZ-CD1 4.35Å; F70-I74 HydrophobicContact CZ-CG2 3.62Å; F70-I74 PolarHBondContact O-N 3.34Å; F70-F85 HydrophobicContact CD1-CE1 4.31Å; F70-F85 HydrophobicContact CD1-CZ 4.04Å; F70-F85 AromaticContact CE1-CE1 3.82Å; F70-F85 HydrophobicContact CE1-CE1 3.82Å; F70-F85 AromaticContact CE1-CZ 3.98Å; F70-F85 HydrophobicContact CE1-CZ 3.98Å; F70-L103 HydrophobicContact CE1-CD2 4.48Å; F70-L103 HydrophobicContact CZ-CD2 4.07Å; F70-L106 HydrophobicContact CE2-CD2 4.05Å; F70-L106 HydrophobicContact CZ-CD2 3.82Å
71I96.6Very high95.2Very high28 Ų2848.5 Ų48.514%0.14426%0.255CS..Hα-helixtrans-58.6-43.7178-72.5162.8000111.5L67 A73 I74 L75 I84 F85 A87L67-I71 WeakPolarHBondContact O-CD1 3.47Å; L67-I71 VanDerWaalsContact O-CG1 3.28Å; L67-I71 WeakPolarHBondContact O-CG1 3.33Å; L67-I71 PolarHBondContact O-N 3.47Å; I71-A73 VanDerWaalsContact C-N 3.34Å; I71-A73 PolarHBondContact O-N 3.19Å; I71-I74 WeakPolarHBondContact O-CG1 3.45Å; I71-L75 WeakPolarHBondContact O-CG 3.49Å; I71-L75 PolarHBondContact O-N 2.91Å; I71-I84 HydrophobicContact CG2-CG2 4.01Å; I71-F85 HydrophobicContact CD1-CD2 4.43Å; I71-F85 HydrophobicContact CD1-CE2 4.29Å; I71-F85 VanDerWaalsContact CD1-O 3.27Å; I71-F85 WeakPolarHBondContact CD1-O 3.37Å; I71-A87 HydrophobicContact CD1-CB 4.21Å
72K95.9Very high94.9Very high124 Ų12446.1 Ų46.154%0.53926%0.257SS..Hα-helixtrans-65-36.7173.6-65.7162-161.5162.50112.3G68 N69 F70 T76G68-K72 VanDerWaalsContact O-CD 3.3Å; G68-K72 WeakPolarHBondContact O-CD 3.43Å; G68-K72 VanDerWaalsContact O-CE 3.31Å; G68-K72 WeakPolarHBondContact O-CE 3.47Å; G68-K72 VanDerWaalsContact O-CG 3.23Å; G68-K72 WeakPolarHBondContact O-CG 3.4Å; G68-K72 PolarHBondContact O-N 3.23Å; N69-K72 PolarHBondContact O-N 2.86Å; N69-K72 PolarHBondContact OD1-NZ 3.16Å; F70-K72 VanDerWaalsContact C-N 3.35Å; F70-K72 PolarHBondContact O-N 3.11Å; K72-T76 PolarHBondContact O-N 3.18Å; K72-T76 VanDerWaalsContact O-N 3.11Å; K72-T76 PolarHBondContact O-OG1 2.76Å
73A95.9Very high94.7Very high2 Ų246.8 Ų46.82%0.01726%0.261CS..Hα-helixtrans-67.5-44.3179.900000111.9I43 T50 V51 N69 F70 I71 T76 Y77I43-A73 HydrophobicContact CB-CB 4.31Å; I43-A73 HydrophobicContact CG1-CB 3.64Å; I43-A73 HydrophobicContact CG2-CB 3.74Å; T50-A73 HydrophobicContact CG2-CB 3.47Å; T50-A73 VanDerWaalsContact CG2-CB 3.47Å; V51-A73 HydrophobicContact CG2-CB 3.87Å; N69-A73 WeakPolarHBondContact O-CB 3.28Å; N69-A73 PolarHBondContact O-N 2.96Å; F70-A73 WeakPolarHBondContact O-CA 3.4Å; F70-A73 WeakPolarHBondContact O-CB 3.32Å; F70-A73 PolarHBondContact O-N 2.69Å; I71-A73 VanDerWaalsContact C-N 3.34Å; I71-A73 PolarHBondContact O-N 3.19Å; A73-T76 CarbonylContact O-C 3.51Å; A73-T76 WeakPolarHBondContact O-CB 3.36Å; A73-T76 PolarHBondContact O-N 2.87Å; A73-Y77 WeakPolarHBondContact O-CB 3.5Å; A73-Y77 PolarHBondContact O-N 3.45Å
74I95.7Very high94.7Very high0 Ų046.4 Ų46.40%026%0.26CS..Hα-helixtrans-72.2-31.3178.964.9179.4000113.3I43 F70 I71 T76 Y77 G78 L79 I84 T102 L106I43-I74 HydrophobicContact CD1-CG2 4.01Å; I43-I74 HydrophobicContact CG1-CG2 4.19Å; F70-I74 HydrophobicContact CD1-CD1 4.31Å; F70-I74 HydrophobicContact CD2-CG2 4.08Å; F70-I74 HydrophobicContact CE1-CD1 3.87Å; F70-I74 HydrophobicContact CE1-CG2 4.08Å; F70-I74 HydrophobicContact CE2-CG2 3.62Å; F70-I74 HydrophobicContact CZ-CD1 4.35Å; F70-I74 HydrophobicContact CZ-CG2 3.62Å; F70-I74 PolarHBondContact O-N 3.34Å; I71-I74 WeakPolarHBondContact O-CG1 3.45Å; I74-T76 VanDerWaalsContact C-N 3.34Å; I74-Y77 WeakPolarHBondContact O-CB 3.4Å; I74-Y77 PolarHBondContact O-N 3.04Å; I74-G78 PolarHBondContact O-N 3.28Å; I74-L79 HydrophobicContact CB-CD1 4.4Å; I74-L79 HydrophobicContact CB-CD2 4.28Å; I74-L79 HydrophobicContact CD1-CD2 4.33Å; I74-L79 PolarHBondContact O-N 3.2Å; I74-L79 VanDerWaalsContact O-N 3.12Å; I74-I84 HydrophobicContact CD1-CD1 4.27Å; I74-I84 HydrophobicContact CD1-CG1 3.97Å; I74-I84 HydrophobicContact CD1-CG2 4.2Å; I74-I84 HydrophobicContact CG1-CD1 4.08Å; I74-I84 HydrophobicContact CG1-CG1 4.33Å; I74-T102 HydrophobicContact CD1-CG2 3.51Å; I74-L106 HydrophobicContact CG2-CD1 3.94Å; I74-L106 HydrophobicContact CG2-CD2 3.98Å
75L94.7Very high94.7Very high75 Ų7543.7 Ų43.739%0.39325%0.246SC..Hα-helixtrans-57.7-49166.1-78.8168000110.6I71 Y77 G78 P81 I84I71-L75 WeakPolarHBondContact O-CG 3.49Å; I71-L75 PolarHBondContact O-N 2.91Å; L75-Y77 VanDerWaalsContact C-N 3.26Å; L75-Y77 PolarHBondContact O-N 2.94Å; L75-G78 PolarHBondContact O-N 2.87Å; L75-P81 HydrophobicContact CD2-CB 4.45Å; L75-P81 HydrophobicContact CD2-CG 3.96Å; L75-I84 HydrophobicContact CD2-CD1 3.43Å; L75-I84 VanDerWaalsContact CD2-CD1 3.43Å; L75-I84 HydrophobicContact CG-CD1 3.67Å
76T93.7Very high94.6Very high100 Ų10046.7 Ų46.761%0.61326%0.26SS*.Hα-helixtrans-64.9-30.6177.8-51.80000112.2K72 A73 I74 G78K72-T76 PolarHBondContact O-N 3.18Å; K72-T76 VanDerWaalsContact O-N 3.11Å; K72-T76 PolarHBondContact O-OG1 2.76Å; A73-T76 CarbonylContact O-C 3.51Å; A73-T76 WeakPolarHBondContact O-CB 3.36Å; A73-T76 PolarHBondContact O-N 2.87Å; I74-T76 VanDerWaalsContact C-N 3.34Å; T76-G78 PolarHBondContact O-N 2.9Å
77Y93.5Very high94.6Very high7 Ų747.8 Ų47.83%0.02727%0.269CS..Hα-helixtrans-69.5-17.9174.8-161.8-106.3000113.1I43 L46 Q47 A73 I74 L75 L79 L106 M109 A110 K113I43-Y77 HydrophobicContact CD1-CD2 3.88Å; I43-Y77 HydrophobicContact CD1-CE2 4.44Å; I43-Y77 HydrophobicContact CD1-CG 3.94Å; L46-Y77 HydrophobicContact CB-CE2 3.9Å; L46-Y77 WeakPolarHBondContact O-CE2 3.41Å; Q47-Y77 HydrophobicContact CB-CD2 3.88Å; Q47-Y77 HydrophobicContact CB-CE2 3.89Å; A73-Y77 WeakPolarHBondContact O-CB 3.5Å; A73-Y77 PolarHBondContact O-N 3.45Å; I74-Y77 WeakPolarHBondContact O-CB 3.4Å; I74-Y77 PolarHBondContact O-N 3.04Å; L75-Y77 VanDerWaalsContact C-N 3.26Å; L75-Y77 PolarHBondContact O-N 2.94Å; Y77-L79 HydrophobicContact CD1-CD1 4.06Å; Y77-L106 HydrophobicContact CD1-CD1 3.74Å; Y77-L106 HydrophobicContact CE1-CD1 4.01Å; Y77-L106 HydrophobicContact CG-CD1 4.47Å; Y77-M109 HydrophobicContact CD1-CB 4.25Å; Y77-M109 HydrophobicContact CD1-CG 3.63Å; Y77-M109 HydrophobicContact CE1-CB 4.03Å; Y77-M109 HydrophobicContact CE1-CG 3.61Å; Y77-A110 WeakPolarHBondContact OH-CA 3.2Å; Y77-K113 HydrophobicContact CE1-CD 4.13Å; Y77-K113 HydrophobicContact CE2-CD 3.98Å; Y77-K113 VanDerWaalsContact CG-NZ 3.32Å; Y77-K113 WeakPolarHBondContact O-CE 3.19Å; Y77-K113 PolarHBondContact O-NZ 3.42Å
78G91.6Very high94.5Very high44 Ų4451.5 Ų51.545%0.45429%0.289SS..THydrogen-bonded Turntrans110.413.4175.400000115.6I74 L75 T76 M109I74-G78 PolarHBondContact O-N 3.28Å; L75-G78 PolarHBondContact O-N 2.87Å; T76-G78 PolarHBondContact O-N 2.9Å; G78-M109 WeakPolarHBondContact O-CE 3.31Å
79L93.6Very high94.5Very high9 Ų951.9 Ų51.95%0.04729%0.287CS..  trans-71.5147.5169.9-81.970.5000110.3I74 Y77 I84 T102 A105 L106 M109I74-L79 HydrophobicContact CB-CD1 4.4Å; I74-L79 HydrophobicContact CB-CD2 4.28Å; I74-L79 HydrophobicContact CD1-CD2 4.33Å; I74-L79 PolarHBondContact O-N 3.2Å; I74-L79 VanDerWaalsContact O-N 3.12Å; Y77-L79 HydrophobicContact CD1-CD1 4.06Å; L79-I84 HydrophobicContact CB-CD1 3.86Å; L79-I84 HydrophobicContact CB-CG1 4.12Å; L79-I84 HydrophobicContact CD2-CG1 4.43Å; L79-T102 HydrophobicContact CD2-CG2 4.13Å; L79-A105 HydrophobicContact CD2-CB 4.16Å; L79-L106 HydrophobicContact CD1-CD1 3.78Å; L79-L106 HydrophobicContact CD2-CB 4.07Å; L79-M109 HydrophobicContact CD1-CB 4.07Å; L79-M109 HydrophobicContact CD1-CG 4.16Å
80K91.2Very high94.4Very high127 Ų12750.1 Ų50.155%0.55228%0.277SS*.  trans-76.3145.3178-58.8175.3-167.4155.30110.2T82 D83 I84K80-T82 WeakPolarHBondContact CB-OG1 3.48Å; K80-T82 PolarHBondContact O-N 3.3Å; K80-T82 VanDerWaalsContact O-N 3.08Å; K80-D83 HydrophobicContact CB-CB 4.47Å; K80-D83 PolarHBondContact O-N 3.22Å; K80-I84 WeakPolarHBondContact O-CD1 3.3Å; K80-I84 WeakPolarHBondContact O-CG1 3.49Å
81P91.9Very high94.3Very high107 Ų10750.8 Ų50.870%0.69528%0.28SS*.G310 helixtrans-56.2-24.4173.4-26.735.1000114.9L75 D83L75-P81 HydrophobicContact CD2-CB 4.45Å; L75-P81 HydrophobicContact CD2-CG 3.96Å; P81-D83 VanDerWaalsContact C-N 3.29Å
82T91.1Very high94.2Very high102 Ų10256.1 Ų56.163%0.62631%0.305SS*.G310 helixtrans-70.7-23.3175.148.40000113.9K80 Q98K80-T82 WeakPolarHBondContact CB-OG1 3.48Å; K80-T82 PolarHBondContact O-N 3.3Å; K80-T82 VanDerWaalsContact O-N 3.08Å; T82-Q98 PolarHBondContact O-NE2 3.28Å
83D90.9Very high94.1Very high41 Ų4154.6 Ų54.622%0.21930%0.302CS..G310 helixtrans-106.116.7-166.7-50.6-7.9000110.5K80 P81 T102 A105K80-D83 HydrophobicContact CB-CB 4.47Å; K80-D83 PolarHBondContact O-N 3.22Å; P81-D83 VanDerWaalsContact C-N 3.29Å; D83-T102 WeakPolarHBondContact O-CA 3.45Å; D83-T102 VanDerWaalsContact O-CB 3.3Å; D83-T102 WeakPolarHBondContact O-CB 3.4Å; D83-T102 WeakPolarHBondContact O-CG2 3.44Å; D83-T102 PolarHBondContact O-OG1 3.28Å; D83-A105 HydrophobicContact CB-CB 4.47Å
84I95Very high93.9Very high21 Ų2157.4 Ų57.411%0.10833%0.332CS..  trans-122.5145.3-168.9-71172.2000110.9I71 I74 L75 L79 K80 Q98 T102I71-I84 HydrophobicContact CG2-CG2 4.01Å; I74-I84 HydrophobicContact CD1-CD1 4.27Å; I74-I84 HydrophobicContact CD1-CG1 3.97Å; I74-I84 HydrophobicContact CD1-CG2 4.2Å; I74-I84 HydrophobicContact CG1-CD1 4.08Å; I74-I84 HydrophobicContact CG1-CG1 4.33Å; L75-I84 HydrophobicContact CD2-CD1 3.43Å; L75-I84 VanDerWaalsContact CD2-CD1 3.43Å; L75-I84 HydrophobicContact CG-CD1 3.67Å; L79-I84 HydrophobicContact CB-CD1 3.86Å; L79-I84 HydrophobicContact CB-CG1 4.12Å; L79-I84 HydrophobicContact CD2-CG1 4.43Å; K80-I84 WeakPolarHBondContact O-CD1 3.3Å; K80-I84 WeakPolarHBondContact O-CG1 3.49Å; I84-Q98 WeakPolarHBondContact O-CG 3.39Å; I84-Q98 PolarHBondContact O-NE2 2.99Å; I84-T102 WeakPolarHBondContact CA-OG1 3.49Å; I84-T102 HydrophobicContact CG1-CG2 4.22Å
85F96Very high93.8Very high3 Ų360.5 Ų60.51%0.01335%0.348CS..  trans-93.6154.8177.871.3-96.9000112.9L39 F70 I71 D89 L90 Q98 V99 T102L39-F85 HydrophobicContact CD1-CZ 4.08Å; F70-F85 HydrophobicContact CD1-CE1 4.31Å; F70-F85 HydrophobicContact CD1-CZ 4.04Å; F70-F85 AromaticContact CE1-CE1 3.82Å; F70-F85 HydrophobicContact CE1-CE1 3.82Å; F70-F85 AromaticContact CE1-CZ 3.98Å; F70-F85 HydrophobicContact CE1-CZ 3.98Å; I71-F85 HydrophobicContact CD1-CD2 4.43Å; I71-F85 HydrophobicContact CD1-CE2 4.29Å; I71-F85 VanDerWaalsContact CD1-O 3.27Å; I71-F85 WeakPolarHBondContact CD1-O 3.37Å; F85-D89 HydrophobicContact CB-CB 4.15Å; F85-D89 HydrophobicContact CD2-CB 4.44Å; F85-L90 HydrophobicContact CD2-CB 4.2Å; F85-L90 HydrophobicContact CE2-CB 3.81Å; F85-L90 HydrophobicContact CE2-CD2 4.05Å; F85-L90 HydrophobicContact CZ-CB 4.47Å; F85-L90 HydrophobicContact CZ-CD2 3.95Å; F85-Q98 HydrophobicContact CB-CB 4.22Å; F85-Q98 HydrophobicContact CB-CG 3.81Å; F85-V99 HydrophobicContact CB-CG2 3.98Å; F85-V99 HydrophobicContact CD1-CB 4.24Å; F85-V99 HydrophobicContact CD1-CG1 4.17Å; F85-V99 HydrophobicContact CD1-CG2 4.17Å; F85-V99 HydrophobicContact CD2-CG2 3.99Å; F85-V99 HydrophobicContact CE1-CG1 4.09Å; F85-V99 HydrophobicContact CG-CB 4.36Å; F85-V99 HydrophobicContact CG-CG2 3.81Å; F85-V99 HydrophobicContact CZ-CG1 4.49Å; F85-T102 HydrophobicContact CD1-CG2 3.82Å; F85-T102 HydrophobicContact CE1-CG2 4.23Å; F85-T102 PolarHBondContact N-OG1 3.17Å; F85-T102 VanDerWaalsContact N-OG1 3.15Å
86E95.8Very high93.8Very high136 Ų13657.8 Ų57.864%0.63633%0.334SS*.  trans-86.1148171.5-64.3-167.7-179.500111.2N88 D89E86-N88 PolarHBondContact O-N 3.08Å; E86-D89 PolarHBondContact N-OD2 3.32Å; E86-D89 VanDerWaalsContact O-CB 3.25Å; E86-D89 WeakPolarHBondContact O-CB 3.42Å; E86-D89 PolarHBondContact O-N 3.42Å
87A95.3Very high93.8Very high22 Ų2255.2 Ų55.218%0.18232%0.318CS..Hα-helixtrans-52.8-30.2-175.300000114.2L64 L67 I71 F91L64-A87 HydrophobicContact CD2-CB 4.08Å; L67-A87 HydrophobicContact CB-CB 3.95Å; L67-A87 HydrophobicContact CD1-CB 4.48Å; I71-A87 HydrophobicContact CD1-CB 4.21Å; A87-F91 WeakPolarHBondContact O-CB 3.46Å; A87-F91 PolarHBondContact O-N 3.34Å
88N95.4Very high93.8Very high78 Ų7857 Ų5742%0.41733%0.327SS..Hα-helixtrans-73.1-29.1176.8-60.3-22.7000113.5E86 L90 F91 E92E86-N88 PolarHBondContact O-N 3.08Å; N88-L90 VanDerWaalsContact C-N 3.26Å; N88-L90 PolarHBondContact O-N 2.9Å; N88-F91 PolarHBondContact O-N 2.99Å; N88-E92 PolarHBondContact O-N 3.01Å
89D95.9Very high94Very high27 Ų2755 Ų5514%0.14431%0.305CS..Hα-helixtrans-56.6-43.3178.5-68.8-28.7000111.3F85 E86 N93 G94 N95 V99F85-D89 HydrophobicContact CB-CB 4.15Å; F85-D89 HydrophobicContact CD2-CB 4.44Å; E86-D89 PolarHBondContact N-OD2 3.32Å; E86-D89 VanDerWaalsContact O-CB 3.25Å; E86-D89 WeakPolarHBondContact O-CB 3.42Å; E86-D89 PolarHBondContact O-N 3.42Å; D89-N93 CarbonylContact O-C 3.1Å; D89-N93 WeakPolarHBondContact O-CA 3.28Å; D89-N93 PolarHBondContact O-N 2.87Å; D89-G94 PolarHBondContact O-N 3.32Å; D89-N95 HydrophobicContact CB-CB 3.97Å; D89-N95 PolarHBondContact O-N 3.32Å; D89-N95 VanDerWaalsContact OD1-CB 3.3Å; D89-N95 WeakPolarHBondContact OD1-CB 3.42Å; D89-V99 HydrophobicContact CB-CG2 4.03Å
90L95.8Very high94.1Very high0 Ų054.9 Ų54.90%031%0.305CS..Hα-helixtrans-86-45.3175178.652.5000111.7Q30 L33 L39 L67 F85 N88 E92 N93 M96 V99Q30-L90 HydrophobicContact CG-CD1 4.17Å; Q30-L90 PolarHBondContact NE2-O 3.36Å; L33-L90 HydrophobicContact CB-CD1 4.19Å; L33-L90 HydrophobicContact CB-CD2 4.01Å; L39-L90 HydrophobicContact CD1-CD2 3.55Å; L67-L90 HydrophobicContact CD2-CD2 3.7Å; L67-L90 HydrophobicContact CD2-CG 4.46Å; F85-L90 HydrophobicContact CD2-CB 4.2Å; F85-L90 HydrophobicContact CE2-CB 3.81Å; F85-L90 HydrophobicContact CE2-CD2 4.05Å; F85-L90 HydrophobicContact CZ-CB 4.47Å; F85-L90 HydrophobicContact CZ-CD2 3.95Å; N88-L90 VanDerWaalsContact C-N 3.26Å; N88-L90 PolarHBondContact O-N 2.9Å; L90-E92 PolarHBondContact O-N 2.73Å; L90-N93 PolarHBondContact O-N 2.71Å; L90-M96 HydrophobicContact CD1-CE 4.27Å; L90-M96 HydrophobicContact CD1-SD 3.79Å; L90-V99 HydrophobicContact CB-CG2 3.84Å; L90-V99 HydrophobicContact CD1-CG1 4.36Å; L90-V99 HydrophobicContact CD2-CG1 4.37Å
91F95.3Very high94.2Very high13 Ų1350.3 Ų50.36%0.05729%0.288CS..Hα-helixtrans-65.6-42.1-174.2-172.5-97.8000112.7K34 N60 K63 L64 L67 A87 N88K34-F91 HydrophobicContact CD-CD2 4.3Å; K34-F91 HydrophobicContact CD-CE2 4.45Å; K34-F91 WeakPolarHBondContact CD-O 3.09Å; K34-F91 VanDerWaalsContact CE-CE2 3.43Å; K34-F91 WeakPolarHBondContact CE-O 3.39Å; K34-F91 HydrophobicContact CG-CD2 3.79Å; K34-F91 HydrophobicContact CG-CE2 4.12Å; K34-F91 PolarHBondContact NZ-O 3.44Å; N60-F91 HydrophobicContact CB-CZ 3.83Å; K63-F91 HydrophobicContact CB-CD2 4.32Å; K63-F91 HydrophobicContact CB-CE2 3.92Å; K63-F91 HydrophobicContact CD-CE2 4.23Å; L64-F91 HydrophobicContact CD2-CB 3.76Å; L64-F91 HydrophobicContact CD2-CD1 4.01Å; L64-F91 HydrophobicContact CD2-CD2 4.11Å; L64-F91 HydrophobicContact CD2-CG 3.69Å; L64-F91 HydrophobicContact CG-CD1 4.47Å; L64-F91 HydrophobicContact CG-CD2 4.35Å; L64-F91 HydrophobicContact CG-CG 4.3Å; L67-F91 HydrophobicContact CD1-CB 4Å; A87-F91 WeakPolarHBondContact O-CB 3.46Å; A87-F91 PolarHBondContact O-N 3.34Å; N88-F91 PolarHBondContact O-N 2.99Å
92E94.6Very high94.4Very high141 Ų14145.2 Ų45.266%0.65925%0.254SS*.SBendtrans-100.52.6-178.6-54.7-159.8140.600113.2N88 L90 G94N88-E92 PolarHBondContact O-N 3.01Å; L90-E92 PolarHBondContact O-N 2.73Å; E92-G94 PolarHBondContact O-N 3.44Å
93N92.6Very high94.6Very high91 Ų9140.4 Ų40.449%0.48723%0.225SC..  trans59.434.4-171.3-170.790.8000111.6Q30 D89 L90 M96Q30-N93 HydrophobicContact CG-CB 4.15Å; Q30-N93 WeakPolarHBondContact CG-OD1 3.41Å; D89-N93 CarbonylContact O-C 3.1Å; D89-N93 WeakPolarHBondContact O-CA 3.28Å; D89-N93 PolarHBondContact O-N 2.87Å; L90-N93 PolarHBondContact O-N 2.71Å; N93-M96 VanDerWaalsContact OD1-CG 3.26Å; N93-M96 WeakPolarHBondContact OD1-CG 3.25Å
94G91.8Very high94.7Very high62 Ų6239.9 Ų39.964%0.63922%0.222SC*.SBendtrans-68.3-40.5179.700000113.5D89 E92D89-G94 PolarHBondContact O-N 3.32Å; E92-G94 PolarHBondContact O-N 3.44Å
95N94.1Very high94.6Very high65 Ų6539.4 Ų39.435%0.34822%0.221SC..  trans-153.867.7-175-168.6-1.3000112.7D89 T97 Q98 V99D89-N95 HydrophobicContact CB-CB 3.97Å; D89-N95 PolarHBondContact O-N 3.32Å; D89-N95 VanDerWaalsContact OD1-CB 3.3Å; D89-N95 WeakPolarHBondContact OD1-CB 3.42Å; N95-T97 PolarHBondContact O-N 2.88Å; N95-T97 VanDerWaalsContact O-N 3.08Å; N95-T97 WeakPolarHBondContact OD1-CB 3.14Å; N95-Q98 HydrophobicContact CB-CB 4.39Å; N95-Q98 WeakPolarHBondContact ND2-CB 3Å; N95-Q98 PolarHBondContact O-N 3.45Å; N95-Q98 PolarHBondContact OD1-N 3.03Å; N95-V99 PolarHBondContact O-N 3.45Å
96M93.9Very high94.5Very high17 Ų1739.2 Ų39.28%0.08422%0.22CC..Hα-helixtrans-58.2-21.3175.6-73.2-59-59.400113.7Y5 F29 Q30 L90 N93 V99 Q100Y5-M96 HydrophobicContact CD2-CB 4.18Å; Y5-M96 HydrophobicContact CE2-CB 3.73Å; Y5-M96 WeakPolarHBondContact CE2-O 3.48Å; F29-M96 HydrophobicContact CD1-CE 3.9Å; F29-M96 HydrophobicContact CE1-CE 4.22Å; Q30-M96 HydrophobicContact CB-CE 4.06Å; Q30-M96 HydrophobicContact CB-SD 3.99Å; Q30-M96 HydrophobicContact CG-CE 4.36Å; Q30-M96 HydrophobicContact CG-CG 4.33Å; Q30-M96 HydrophobicContact CG-SD 3.63Å; L90-M96 HydrophobicContact CD1-CE 4.27Å; L90-M96 HydrophobicContact CD1-SD 3.79Å; N93-M96 VanDerWaalsContact OD1-CG 3.26Å; N93-M96 WeakPolarHBondContact OD1-CG 3.25Å; M96-V99 HydrophobicContact CE-CB 4.3Å; M96-V99 HydrophobicContact CE-CG1 4.22Å; M96-V99 PolarHBondContact O-N 3.04Å; M96-V99 HydrophobicContact SD-CB 4.28Å; M96-V99 HydrophobicContact SD-CG2 4.08Å; M96-Q100 WeakPolarHBondContact O-CB 3.3Å; M96-Q100 PolarHBondContact O-N 3.47Å
97T93.9Very high94.4Very high46 Ų4632.9 Ų32.928%0.28219%0.191SC..Hα-helixtrans-62.7-44.7171.8-47.90000112.1Q3 N95 T101Q3-T97 WeakPolarHBondContact O-CG2 3.22Å; N95-T97 PolarHBondContact O-N 2.88Å; N95-T97 VanDerWaalsContact O-N 3.08Å; N95-T97 WeakPolarHBondContact OD1-CB 3.14Å; T97-T101 WeakPolarHBondContact O-CB 3.38Å; T97-T101 PolarHBondContact O-N 3.46Å; T97-T101 PolarHBondContact O-OG1 2.73Å
98Q94.4Very high94.2Very high46 Ų4632.4 Ų32.422%0.21519%0.186CC..Hα-helixtrans-67.4-41175.2-170.367.56.500110.6T82 I84 F85 N95 Q100 T101 T102T82-Q98 PolarHBondContact O-NE2 3.28Å; I84-Q98 WeakPolarHBondContact O-CG 3.39Å; I84-Q98 PolarHBondContact O-NE2 2.99Å; F85-Q98 HydrophobicContact CB-CB 4.22Å; F85-Q98 HydrophobicContact CB-CG 3.81Å; N95-Q98 HydrophobicContact CB-CB 4.39Å; N95-Q98 WeakPolarHBondContact ND2-CB 3Å; N95-Q98 PolarHBondContact O-N 3.45Å; N95-Q98 PolarHBondContact OD1-N 3.03Å; Q98-Q100 PolarHBondContact O-N 2.87Å; Q98-T101 WeakPolarHBondContact O-CB 3.31Å; Q98-T101 PolarHBondContact O-N 3.49Å; Q98-T102 PolarHBondContact O-N 2.99Å; Q98-T102 PolarHBondContact O-OG1 3.02Å
99V95.8Very high93.9Very high0 Ų030.4 Ų30.40%018%0.175CC..Hα-helixtrans-56.5-50.5175.2-176.60000111.5F85 D89 L90 N95 M96 T101 T102 L103F85-V99 HydrophobicContact CB-CG2 3.98Å; F85-V99 HydrophobicContact CD1-CB 4.24Å; F85-V99 HydrophobicContact CD1-CG1 4.17Å; F85-V99 HydrophobicContact CD1-CG2 4.17Å; F85-V99 HydrophobicContact CD2-CG2 3.99Å; F85-V99 HydrophobicContact CE1-CG1 4.09Å; F85-V99 HydrophobicContact CG-CB 4.36Å; F85-V99 HydrophobicContact CG-CG2 3.81Å; F85-V99 HydrophobicContact CZ-CG1 4.49Å; D89-V99 HydrophobicContact CB-CG2 4.03Å; L90-V99 HydrophobicContact CB-CG2 3.84Å; L90-V99 HydrophobicContact CD1-CG1 4.36Å; L90-V99 HydrophobicContact CD2-CG1 4.37Å; N95-V99 PolarHBondContact O-N 3.45Å; M96-V99 HydrophobicContact CE-CB 4.3Å; M96-V99 HydrophobicContact CE-CG1 4.22Å; M96-V99 PolarHBondContact O-N 3.04Å; M96-V99 HydrophobicContact SD-CB 4.28Å; M96-V99 HydrophobicContact SD-CG2 4.08Å; V99-T101 PolarHBondContact O-N 3.4Å; V99-T102 PolarHBondContact O-N 3.21Å; V99-L103 HydrophobicContact CG1-CD1 3.99Å; V99-L103 WeakPolarHBondContact O-CG 3.44Å; V99-L103 PolarHBondContact O-N 3.3Å
100Q94.9Very high93.7Very high7 Ų729.1 Ų29.13%0.03317%0.168CC..Hα-helixtrans-59.6-45.3176.5175169.780.100111.6Y5 D6 E10 L13 M96 Q98 T102 L103 L104Y5-Q100 HydrophobicContact CD2-CB 4.19Å; Y5-Q100 HydrophobicContact CE2-CB 3.92Å; D6-Q100 PolarHBondContact O-NE2 2.88Å; E10-Q100 VanDerWaalsContact N-NE2 3.17Å; L13-Q100 HydrophobicContact CD1-CG 4.02Å; M96-Q100 WeakPolarHBondContact O-CB 3.3Å; M96-Q100 PolarHBondContact O-N 3.47Å; Q98-Q100 PolarHBondContact O-N 2.87Å; Q100-T102 VanDerWaalsContact C-N 3.35Å; Q100-T102 PolarHBondContact O-N 3.45Å; Q100-L103 PolarHBondContact O-N 3.05Å; Q100-L104 HydrophobicContact CG-CD1 4.02Å; Q100-L104 WeakPolarHBondContact O-CG 3.36Å; Q100-L104 PolarHBondContact O-N 2.82Å
101T93.8Very high93.4Very high32 Ų3232 Ų3220%0.19618%0.181CC..Hα-helixtrans-58.6-45.6177.6-55.80000111.4T97 Q98 V99 L104 A105T97-T101 WeakPolarHBondContact O-CB 3.38Å; T97-T101 PolarHBondContact O-N 3.46Å; T97-T101 PolarHBondContact O-OG1 2.73Å; Q98-T101 WeakPolarHBondContact O-CB 3.31Å; Q98-T101 PolarHBondContact O-N 3.49Å; V99-T101 PolarHBondContact O-N 3.4Å; T101-L104 PolarHBondContact O-N 2.92Å; T101-A105 WeakPolarHBondContact O-CB 3.43Å; T101-A105 PolarHBondContact O-N 2.95Å
102T95.6Very high92.9Very high0 Ų032.6 Ų32.60%019%0.185CC..Hα-helixtrans-63-42.7177.9-56.50000113I74 L79 D83 I84 F85 Q98 V99 Q100 A105 L106I74-T102 HydrophobicContact CD1-CG2 3.51Å; L79-T102 HydrophobicContact CD2-CG2 4.13Å; D83-T102 WeakPolarHBondContact O-CA 3.45Å; D83-T102 VanDerWaalsContact O-CB 3.3Å; D83-T102 WeakPolarHBondContact O-CB 3.4Å; D83-T102 WeakPolarHBondContact O-CG2 3.44Å; D83-T102 PolarHBondContact O-OG1 3.28Å; I84-T102 WeakPolarHBondContact CA-OG1 3.49Å; I84-T102 HydrophobicContact CG1-CG2 4.22Å; F85-T102 HydrophobicContact CD1-CG2 3.82Å; F85-T102 HydrophobicContact CE1-CG2 4.23Å; F85-T102 PolarHBondContact N-OG1 3.17Å; F85-T102 VanDerWaalsContact N-OG1 3.15Å; Q98-T102 PolarHBondContact O-N 2.99Å; Q98-T102 PolarHBondContact O-OG1 3.02Å; V99-T102 PolarHBondContact O-N 3.21Å; Q100-T102 VanDerWaalsContact C-N 3.35Å; Q100-T102 PolarHBondContact O-N 3.45Å; T102-A105 PolarHBondContact O-N 3.38Å; T102-L106 WeakPolarHBondContact O-CB 3.35Å; T102-L106 PolarHBondContact O-N 3.31Å
103L95.5Very high92.6Very high0 Ų030.8 Ų30.80%018%0.175CC..Hα-helixtrans-70.5-36-179.4-65.1171000111.6L13 I17 F29 L33 L39 F70 V99 Q100 L106 A107L13-L103 HydrophobicContact CD1-CB 3.81Å; L13-L103 HydrophobicContact CD1-CD1 4.39Å; L13-L103 HydrophobicContact CD2-CB 3.64Å; L13-L103 HydrophobicContact CG-CB 4.38Å; I17-L103 HydrophobicContact CD1-CD1 4.23Å; F29-L103 HydrophobicContact CE1-CD1 4.21Å; F29-L103 HydrophobicContact CZ-CD1 3.89Å; L33-L103 HydrophobicContact CD1-CD1 4.19Å; L39-L103 HydrophobicContact CD2-CD2 3.88Å; F70-L103 HydrophobicContact CE1-CD2 4.48Å; F70-L103 HydrophobicContact CZ-CD2 4.07Å; V99-L103 HydrophobicContact CG1-CD1 3.99Å; V99-L103 WeakPolarHBondContact O-CG 3.44Å; V99-L103 PolarHBondContact O-N 3.3Å; Q100-L103 PolarHBondContact O-N 3.05Å; L103-L106 PolarHBondContact O-N 3.17Å; L103-A107 PolarHBondContact O-N 3.08Å
104L93.8Very high92Very high31 Ų3129 Ų2916%0.16218%0.178CC..Hα-helixtrans-65.5-37.5171.6-69.8171000112.4K9 L13 Q100 T101 S108 I121K9-L104 HydrophobicContact CB-CD1 4.28Å; L13-L104 HydrophobicContact CD1-CD2 4.37Å; L13-L104 HydrophobicContact CD1-CG 4.18Å; L13-L104 HydrophobicContact CD2-CD2 4.06Å; L13-L104 HydrophobicContact CD2-CG 4.37Å; L13-L104 HydrophobicContact CG-CD2 4.04Å; L13-L104 HydrophobicContact CG-CG 4.37Å; Q100-L104 HydrophobicContact CG-CD1 4.02Å; Q100-L104 WeakPolarHBondContact O-CG 3.36Å; Q100-L104 PolarHBondContact O-N 2.82Å; T101-L104 PolarHBondContact O-N 2.92Å; L104-S108 WeakPolarHBondContact O-CB 3.47Å; L104-S108 PolarHBondContact O-N 3.25Å; L104-S108 PolarHBondContact O-OG 3.18Å; L104-I121 HydrophobicContact CD2-CD1 4.06Å; L104-I121 HydrophobicContact CD2-CG1 4.2Å
105A93.2Very high91.4Very high10 Ų1029.1 Ų29.18%0.08316%0.163CC..Hα-helixtrans-66.8-38.3172.600000111.9L79 D83 T101 T102 S108 M109L79-A105 HydrophobicContact CD2-CB 4.16Å; D83-A105 HydrophobicContact CB-CB 4.47Å; T101-A105 WeakPolarHBondContact O-CB 3.43Å; T101-A105 PolarHBondContact O-N 2.95Å; T102-A105 PolarHBondContact O-N 3.38Å; A105-S108 PolarHBondContact O-N 2.98Å; A105-M109 WeakPolarHBondContact O-CB 3.33Å; A105-M109 PolarHBondContact O-N 2.89Å
106L94.1Very high90.2Very high0 Ų034 Ų340%019%0.189CC..Hα-helixtrans-65-45.9176.1-177.362.1000112W16 L42 I43 L46 F70 I74 Y77 L79 T102 L103 M109 A110W16-L106 HydrophobicContact CH2-CG 4.35Å; L42-L106 HydrophobicContact CD2-CD2 4.01Å; I43-L106 HydrophobicContact CD1-CD1 4.15Å; L46-L106 HydrophobicContact CD1-CD1 3.86Å; L46-L106 HydrophobicContact CD1-CD2 3.98Å; L46-L106 HydrophobicContact CD1-CG 3.81Å; F70-L106 HydrophobicContact CE2-CD2 4.05Å; F70-L106 HydrophobicContact CZ-CD2 3.82Å; I74-L106 HydrophobicContact CG2-CD1 3.94Å; I74-L106 HydrophobicContact CG2-CD2 3.98Å; Y77-L106 HydrophobicContact CD1-CD1 3.74Å; Y77-L106 HydrophobicContact CE1-CD1 4.01Å; Y77-L106 HydrophobicContact CG-CD1 4.47Å; L79-L106 HydrophobicContact CD1-CD1 3.78Å; L79-L106 HydrophobicContact CD2-CB 4.07Å; T102-L106 WeakPolarHBondContact O-CB 3.35Å; T102-L106 PolarHBondContact O-N 3.31Å; L103-L106 PolarHBondContact O-N 3.17Å; L106-M109 PolarHBondContact O-N 3.37Å; L106-A110 WeakPolarHBondContact O-CB 3.3Å; L106-A110 PolarHBondContact O-N 2.84Å
107A92.6Very high89.2Confident2 Ų235 Ų352%0.01720%0.196CC..Hα-helixtrans-60.1-46.1174.700000111.8W16 L103 M109 A110 K111 I121W16-A107 HydrophobicContact CD2-CB 4.13Å; W16-A107 HydrophobicContact CE3-CB 4.08Å; W16-A107 HydrophobicContact CH2-CB 3.82Å; W16-A107 HydrophobicContact CZ2-CB 3.84Å; W16-A107 HydrophobicContact CZ3-CB 3.94Å; L103-A107 PolarHBondContact O-N 3.08Å; A107-M109 VanDerWaalsContact C-N 3.29Å; A107-M109 PolarHBondContact O-N 3.26Å; A107-A110 PolarHBondContact O-N 3.2Å; A107-K111 WeakPolarHBondContact O-CB 3.23Å; A107-K111 PolarHBondContact O-N 3.2Å; A107-I121 HydrophobicContact CB-CG1 4.28Å; A107-I121 HydrophobicContact CB-CG2 3.96Å
108S90.9Very high88.1Confident13 Ų1341.2 Ų41.29%0.09122%0.219CC..Hα-helixtrans-58.1-39.4174.3-59.50000112.3L104 A105 T112 G122 V123L104-S108 WeakPolarHBondContact O-CB 3.47Å; L104-S108 PolarHBondContact O-N 3.25Å; L104-S108 PolarHBondContact O-OG 3.18Å; A105-S108 PolarHBondContact O-N 2.98Å; S108-T112 PolarHBondContact O-N 3.49Å; S108-T112 VanDerWaalsContact O-N 3.11Å; S108-T112 PolarHBondContact O-OG1 2.74Å; S108-G122 VanDerWaalsContact OG-CA 3.25Å; S108-G122 WeakPolarHBondContact OG-CA 3.49Å; S108-V123 WeakPolarHBondContact CB-O 3.49Å; S108-V123 PolarHBondContact OG-N 3.24Å
109M90.5Very high87.1Confident35 Ų3541.4 Ų41.417%0.17222%0.221CC..Hα-helixtrans-70-40.9176.4-170.762.266.700112.2Y77 G78 L79 A105 L106 A107 T112 K113 Y125Y77-M109 HydrophobicContact CD1-CB 4.25Å; Y77-M109 HydrophobicContact CD1-CG 3.63Å; Y77-M109 HydrophobicContact CE1-CB 4.03Å; Y77-M109 HydrophobicContact CE1-CG 3.61Å; G78-M109 WeakPolarHBondContact O-CE 3.31Å; L79-M109 HydrophobicContact CD1-CB 4.07Å; L79-M109 HydrophobicContact CD1-CG 4.16Å; A105-M109 WeakPolarHBondContact O-CB 3.33Å; A105-M109 PolarHBondContact O-N 2.89Å; L106-M109 PolarHBondContact O-N 3.37Å; A107-M109 VanDerWaalsContact C-N 3.29Å; A107-M109 PolarHBondContact O-N 3.26Å; M109-T112 WeakPolarHBondContact O-CB 3.43Å; M109-T112 PolarHBondContact O-N 3.03Å; M109-T112 VanDerWaalsContact O-N 3.16Å; M109-K113 PolarHBondContact O-N 2.98Å; M109-Y125 HydrophobicContact CB-CE2 4.22Å; M109-Y125 HydrophobicContact CE-CD2 4.01Å; M109-Y125 HydrophobicContact CE-CE2 3.82Å; M109-Y125 HydrophobicContact SD-CD2 4.35Å
110A90.9Very high86Confident1 Ų147.1 Ų47.11%0.00825%0.251CS..Hα-helixtrans-61.6-48.6176.600000112W16 L46 Y77 L106 A107 T112 K113 G114 M115W16-A110 HydrophobicContact CZ2-CB 4.2Å; L46-A110 HydrophobicContact CD1-CB 4.33Å; L46-A110 HydrophobicContact CD2-CB 3.59Å; Y77-A110 WeakPolarHBondContact OH-CA 3.2Å; L106-A110 WeakPolarHBondContact O-CB 3.3Å; L106-A110 PolarHBondContact O-N 2.84Å; A107-A110 PolarHBondContact O-N 3.2Å; A110-T112 PolarHBondContact O-N 3.12Å; A110-K113 PolarHBondContact O-N 3.39Å; A110-K113 VanDerWaalsContact O-N 3.08Å; A110-G114 PolarHBondContact O-N 3.33Å; A110-M115 HydrophobicContact CB-CB 4.2Å; A110-M115 HydrophobicContact CB-CG 4.39Å; A110-M115 PolarHBondContact O-N 3.15Å; A110-M115 VanDerWaalsContact O-N 3.1Å
111K89.1Confident85.2Confident60 Ų6047 Ų4726%0.26125%0.251SS..Hα-helixtrans-57.5-33.6172.5-176.8175.9177.4173.90112.4A107 G114 D120 G122 K124A107-K111 WeakPolarHBondContact O-CB 3.23Å; A107-K111 PolarHBondContact O-N 3.2Å; K111-G114 PolarHBondContact O-N 2.93Å; K111-D120 WeakPolarHBondContact CD-OD1 3.43Å; K111-D120 WeakPolarHBondContact CE-OD1 3.27Å; K111-D120 IonicContact NZ-OD1 3.84Å; K111-D120 PolarHBondContact NZ-OD1 3.37Å; K111-D120 IonicContact NZ-OD2 2.6Å; K111-D120 PolarHBondContact NZ-OD2 3.07Å; K111-G122 PolarHBondContact NZ-O 2.91Å; K111-K124 HydrophobicContact CG-CB 4.41Å
112T85.7Confident84Confident25 Ų2546.7 Ų46.715%0.15325%0.254CS..Hα-helixtrans-69.5-38.6176-55.30000112.2S108 M109 A110 G114 K124 Y125S108-T112 PolarHBondContact O-N 3.49Å; S108-T112 VanDerWaalsContact O-N 3.11Å; S108-T112 PolarHBondContact O-OG1 2.74Å; M109-T112 WeakPolarHBondContact O-CB 3.43Å; M109-T112 PolarHBondContact O-N 3.03Å; M109-T112 VanDerWaalsContact O-N 3.16Å; A110-T112 PolarHBondContact O-N 3.12Å; T112-G114 PolarHBondContact O-N 3.37Å; T112-K124 HydrophobicContact CG2-CG 4.33Å; T112-Y125 WeakPolarHBondContact OG1-CD2 3.46Å; T112-Y125 PolarHBondContact OG1-N 2.79Å
113K86.7Confident83.1Confident104 Ų10452 Ų5245%0.45229%0.287SS..THydrogen-bonded Turntrans-76.90.4175.8-66.9-171.9-171.7173.50114.6Y77 M109 A110Y77-K113 HydrophobicContact CE1-CD 4.13Å; Y77-K113 HydrophobicContact CE2-CD 3.98Å; Y77-K113 VanDerWaalsContact CG-NZ 3.32Å; Y77-K113 WeakPolarHBondContact O-CE 3.19Å; Y77-K113 PolarHBondContact O-NZ 3.42Å; M109-K113 PolarHBondContact O-N 2.98Å; A110-K113 PolarHBondContact O-N 3.39Å; A110-K113 VanDerWaalsContact O-N 3.08Å
114G81.8Confident82Confident52 Ų5257.2 Ų57.254%0.53631%0.309SS..THydrogen-bonded Turntrans84.826.5178.200000114.8A110 K111 T112 D116A110-G114 PolarHBondContact O-N 3.33Å; K111-G114 PolarHBondContact O-N 2.93Å; T112-G114 PolarHBondContact O-N 3.37Å; G114-D116 PolarHBondContact O-N 3.33Å
115M78.8Confident80.9Confident66 Ų6659.9 Ų59.933%0.32532%0.318SS..  trans-77.896.7165.1-70.4-66.9-7100109.6L46 A110 T117L46-M115 HydrophobicContact CD2-CE 4.1Å; L46-M115 HydrophobicContact CD2-CG 4.13Å; A110-M115 HydrophobicContact CB-CB 4.2Å; A110-M115 HydrophobicContact CB-CG 4.39Å; A110-M115 PolarHBondContact O-N 3.15Å; A110-M115 VanDerWaalsContact O-N 3.1Å; M115-T117 PolarHBondContact O-N 2.8Å; M115-T117 VanDerWaalsContact O-N 3.11Å
116D68.6Low79.6Confident168 Ų16864.3 Ų64.390%0.89835%0.354SS*.  trans-75.592.9173.4-72.2-26.3000110.5G114G114-D116 PolarHBondContact O-N 3.33Å
117T73.1Confident78.4Confident36 Ų3669.9 Ų69.922%0.22138%0.384CS..  trans-87.9150.9171.952.70000111.1W16 V20 M115 I119W16-T117 PolarHBondContact NE1-OG1 2.87Å; V20-T117 HydrophobicContact CG2-CG2 3.49Å; V20-T117 VanDerWaalsContact CG2-CG2 3.49Å; M115-T117 PolarHBondContact O-N 2.8Å; M115-T117 VanDerWaalsContact O-N 3.11Å; T117-I119 PolarHBondContact O-N 2.93Å; T117-I119 PolarHBondContact OG1-O 2.82Å
118K70.4Confident77.5Confident177 Ų17779.2 Ų79.277%0.7742%0.424SS*.SBendtrans-65.5-27.7-176.9-56.1-169.8-157.273.20112.8D19D19-K118 IonicContact OD1-NZ 2.57Å; D19-K118 PolarHBondContact OD1-NZ 2.82Å; D19-K118 PolarHBondContact OD2-N 3.21Å; D19-K118 IonicContact OD2-NZ 3.64Å
119I73.1Confident76.5Confident50 Ų5086.3 Ų86.326%0.25646%0.456SS..SBendtrans-95.2120176.7-64.9151.9000107.1F15 W16 D19 T117 I121F15-I119 HydrophobicContact CB-CD1 3.56Å; F15-I119 WeakPolarHBondContact O-CD1 3.43Å; W16-I119 HydrophobicContact CB-CG2 4.36Å; D19-I119 HydrophobicContact CB-CD1 3.89Å; T117-I119 PolarHBondContact O-N 2.93Å; T117-I119 PolarHBondContact OG1-O 2.82Å; I119-I121 HydrophobicContact CG2-CB 4.44Å; I119-I121 HydrophobicContact CG2-CG2 4.41Å; I119-I121 PolarHBondContact O-N 3.33Å
120D72.8Confident75.7Confident120 Ų12088 Ų8864%0.64248%0.475SS*.  trans-84.4108175.1-167.928.6000110.8K111K111-D120 WeakPolarHBondContact CD-OD1 3.43Å; K111-D120 WeakPolarHBondContact CE-OD1 3.27Å; K111-D120 IonicContact NZ-OD1 3.84Å; K111-D120 PolarHBondContact NZ-OD1 3.37Å; K111-D120 IonicContact NZ-OD2 2.6Å; K111-D120 PolarHBondContact NZ-OD2 3.07Å
121I79.1Confident75.1Confident5 Ų596.8 Ų96.83%0.02651%0.508CS..  trans-134.1139.6-176.7-178.9170.6000110.3E12 L13 W16 L104 A107 I119E12-I121 HydrophobicContact CB-CD1 3.94Å; L13-I121 HydrophobicContact CD2-CD1 3.79Å; L13-I121 HydrophobicContact CG-CD1 4.1Å; W16-I121 HydrophobicContact CB-CD1 4.29Å; W16-I121 HydrophobicContact CB-CG2 3.85Å; W16-I121 HydrophobicContact CD2-CG2 3.97Å; W16-I121 HydrophobicContact CG-CG2 3.42Å; W16-I121 VanDerWaalsContact CG-CG2 3.42Å; L104-I121 HydrophobicContact CD2-CD1 4.06Å; L104-I121 HydrophobicContact CD2-CG1 4.2Å; A107-I121 HydrophobicContact CB-CG1 4.28Å; A107-I121 HydrophobicContact CB-CG2 3.96Å; I119-I121 HydrophobicContact CG2-CB 4.44Å; I119-I121 HydrophobicContact CG2-CG2 4.41Å; I119-I121 PolarHBondContact O-N 3.33Å
122G67.8Low74.5Confident26 Ų26102.9 Ų102.927%0.26854%0.537SS..SBendtrans77.3172.4-176.700000114.2S108 K111S108-G122 VanDerWaalsContact OG-CA 3.25Å; S108-G122 WeakPolarHBondContact OG-CA 3.49Å; K111-G122 PolarHBondContact NZ-O 2.91Å
123V76.4Confident74.3Confident112 Ų112106.8 Ų106.868%0.67955%0.552SS**  trans-109.9129.7-177.1-177.70000108.2S108 Y125S108-V123 WeakPolarHBondContact CB-O 3.49Å; S108-V123 PolarHBondContact OG-N 3.24Å; V123-Y125 PolarHBondContact O-N 3.11Å
124K72.5Confident74.1Confident108 Ų108107.4 Ų107.447%0.4756%0.561SS.*PPolyproline II helixtrans-60.1122.5172.3172.4160.6-179.3170.40108.8K111 T112 D127K111-K124 HydrophobicContact CG-CB 4.41Å; T112-K124 HydrophobicContact CG2-CG 4.33Å; K124-D127 IonicContact NZ-OD2 2.68Å
125Y70.3Confident74Confident88 Ų88113 Ų11335%0.34557%0.573SS.*PPolyproline II helixtrans-62.6137.7174.5-68.3-73.9000109.5M109 T112 V123 D127M109-Y125 HydrophobicContact CB-CE2 4.22Å; M109-Y125 HydrophobicContact CE-CD2 4.01Å; M109-Y125 HydrophobicContact CE-CE2 3.82Å; M109-Y125 HydrophobicContact SD-CD2 4.35Å; T112-Y125 WeakPolarHBondContact OG1-CD2 3.46Å; T112-Y125 PolarHBondContact OG1-N 2.79Å; V123-Y125 PolarHBondContact O-N 3.11Å; Y125-D127 PolarHBondContact O-N 2.94Å
126A67Low73.8Confident102 Ų102118 Ų11884%0.84360%0.596SS**PPolyproline II helixtrans-73.1118.4179.600000110.4
127D68.3Low74.3Confident118 Ų118116.2 Ų116.263%0.63158%0.58SS**PPolyproline II helixtrans-58.5137.6173-69.6-63.2000110.8K124 Y125 Q129K124-D127 IonicContact NZ-OD2 2.68Å; Y125-D127 PolarHBondContact O-N 2.94Å; D127-Q129 VanDerWaalsContact C-N 3.31Å; D127-Q129 PolarHBondContact O-N 3.08Å
128K73.1Confident74.6Confident198 Ų198118.8 Ų118.886%0.86159%0.591SS**  trans-71.486.1179.3-174.4-168.2174.9-175.60110A130K128-A130 VanDerWaalsContact C-N 3.27Å; K128-A130 PolarHBondContact O-N 3Å
129Q71.3Confident74.8Confident161 Ų161115 Ų11575%0.75258%0.575SS**  trans-6785.6172.1-168.5-176.412.100110.4D127 R131D127-Q129 VanDerWaalsContact C-N 3.31Å; D127-Q129 PolarHBondContact O-N 3.08Å; Q129-R131 PolarHBondContact O-N 2.8Å
130A73.8Confident74.8Confident70 Ų70115.3 Ų115.358%0.57959%0.585SS**  trans-65.499.3169.900000108.8K128 Q132K128-A130 VanDerWaalsContact C-N 3.27Å; K128-A130 PolarHBondContact O-N 3Å; A130-Q132 PolarHBondContact O-N 2.98Å
131R76.9Confident74.6Confident187 Ų187111.7 Ų111.771%0.70658%0.576SS**  trans-65.5103.7173.2-66.4179.9-176152.62.1108.6Q129 F133Q129-R131 PolarHBondContact O-N 2.8Å; R131-F133 HydrophobicContact CB-CE1 4.26Å; R131-F133 HydrophobicContact CB-CE2 3.86Å; R131-F133 HydrophobicContact CB-CZ 3.73Å; R131-F133 HydrophobicContact CG-CZ 4.49Å
132Q76.4Confident73.9Confident187 Ų187118.8 Ų118.887%0.87461%0.609SS**  trans-70.1135.6164.3-6217911.500107.5A130A130-Q132 PolarHBondContact O-N 2.98Å
133F82.3Confident73.6Confident107 Ų107121.3 Ų121.347%0.46962%0.622SS.*  trans-127.1142.5174.4-62.3-68.6000107.1R131 K137 I138R131-F133 HydrophobicContact CB-CE1 4.26Å; R131-F133 HydrophobicContact CB-CE2 3.86Å; R131-F133 HydrophobicContact CB-CZ 3.73Å; R131-F133 HydrophobicContact CG-CZ 4.49Å; F133-K137 HydrophobicContact CB-CD 4.44Å; F133-K137 HydrophobicContact CD1-CD 4.15Å; F133-I138 HydrophobicContact CB-CD1 4.39Å; F133-I138 HydrophobicContact CB-CG1 3.98Å
134D83Confident72.7Confident117 Ų117121.5 Ų121.563%0.62662%0.623SS**  trans-60.7148.8178.5-44.5-75.7000110.8E136 K137 I138D134-E136 VanDerWaalsContact C-N 3.27Å; D134-E136 PolarHBondContact O-N 3.16Å; D134-K137 HydrophobicContact CB-CB 4.48Å; D134-K137 WeakPolarHBondContact O-CA 3.27Å; D134-K137 VanDerWaalsContact O-CB 3.27Å; D134-K137 WeakPolarHBondContact O-CB 3.41Å; D134-K137 PolarHBondContact O-N 3.32Å; D134-I138 PolarHBondContact O-N 3.22Å
135E78.8Confident71.8Confident171 Ų171120.6 Ų120.680%0.79962%0.622SS**Hα-helixtrans-59.2-38.3-173.6-170.7171.9-178.300112.3K137 I138 K139E135-K137 VanDerWaalsContact C-N 3.26Å; E135-K137 PolarHBondContact O-N 2.88Å; E135-I138 PolarHBondContact O-N 3.24Å; E135-K139 WeakPolarHBondContact O-CB 3.28Å; E135-K139 PolarHBondContact O-N 2.83Å
136E75.4Confident71.2Confident171 Ų171118.5 Ų118.580%0.79963%0.628SS**Hα-helixtrans-57.5-38.2172.3-60.1-171.7155.700112.6D134 K139 A140D134-E136 VanDerWaalsContact C-N 3.27Å; D134-E136 PolarHBondContact O-N 3.16Å; E136-K139 PolarHBondContact O-N 3.49Å; E136-A140 VanDerWaalsContact O-CB 3.28Å; E136-A140 WeakPolarHBondContact O-CB 3.46Å; E136-A140 PolarHBondContact O-N 2.85Å
137K77.6Confident70.5Confident129 Ų129122.5 Ų122.556%0.56163%0.634SS**Hα-helixtrans-75.4-31.9-179-167.1169.5-175.4167.30111.8F133 D134 E135 G141F133-K137 HydrophobicContact CB-CD 4.44Å; F133-K137 HydrophobicContact CD1-CD 4.15Å; D134-K137 HydrophobicContact CB-CB 4.48Å; D134-K137 WeakPolarHBondContact O-CA 3.27Å; D134-K137 VanDerWaalsContact O-CB 3.27Å; D134-K137 WeakPolarHBondContact O-CB 3.41Å; D134-K137 PolarHBondContact O-N 3.32Å; E135-K137 VanDerWaalsContact C-N 3.26Å; E135-K137 PolarHBondContact O-N 2.88Å; K137-G141 PolarHBondContact O-N 3.05Å; K137-G141 VanDerWaalsContact O-N 3.16Å
138I79.4Confident69.6Low91 Ų91126.1 Ų126.147%0.46765%0.647SS.*Hα-helixtrans-69.7-46.2170.3-61.9175.9000109.9F133 D134 E135 A140 G141 Q142F133-I138 HydrophobicContact CB-CD1 4.39Å; F133-I138 HydrophobicContact CB-CG1 3.98Å; D134-I138 PolarHBondContact O-N 3.22Å; E135-I138 PolarHBondContact O-N 3.24Å; I138-A140 PolarHBondContact O-N 3.21Å; I138-G141 WeakPolarHBondContact O-CA 3.49Å; I138-G141 PolarHBondContact O-N 3.07Å; I138-G141 VanDerWaalsContact O-N 3.11Å; I138-Q142 PolarHBondContact O-N 3.34Å
139K76Confident68.6Low96 Ų96123.5 Ų123.542%0.41764%0.639SS.*Hα-helixtrans-60.6-44.4176.3-168.5178.4-178.2-1770111.7E135 E136 G141 Q142 D220E135-K139 WeakPolarHBondContact O-CB 3.28Å; E135-K139 PolarHBondContact O-N 2.83Å; E136-K139 PolarHBondContact O-N 3.49Å; K139-G141 VanDerWaalsContact C-N 3.27Å; K139-G141 PolarHBondContact O-N 3.26Å; K139-Q142 WeakPolarHBondContact O-CB 3.47Å; K139-Q142 PolarHBondContact O-N 3.11Å; K139-Q142 VanDerWaalsContact O-N 3.07Å; K139-D220 IonicContact NZ-OD2 2.69Å; K139-D220 PolarHBondContact NZ-OD2 3.45Å
140A71.6Confident67.5Low58 Ų58119 Ų11948%0.47964%0.636SS.*Hα-helixtrans-61.1-34.2174.300000112.8E136 I138 Q142 C143E136-A140 VanDerWaalsContact O-CB 3.28Å; E136-A140 WeakPolarHBondContact O-CB 3.46Å; E136-A140 PolarHBondContact O-N 2.85Å; I138-A140 PolarHBondContact O-N 3.21Å; A140-Q142 VanDerWaalsContact C-N 3.3Å; A140-Q142 PolarHBondContact O-N 3.44Å; A140-C143 WeakPolarHBondContact O-CB 3.45Å; A140-C143 PolarHBondContact O-N 3.33Å
141G69.2Low66Low43 Ų43120.3 Ų120.344%0.44364%0.637SS.*Hα-helixtrans-62.8-32.8173.100000113.6K137 I138 K139 C143 V144K137-G141 PolarHBondContact O-N 3.05Å; K137-G141 VanDerWaalsContact O-N 3.16Å; I138-G141 WeakPolarHBondContact O-CA 3.49Å; I138-G141 PolarHBondContact O-N 3.07Å; I138-G141 VanDerWaalsContact O-N 3.11Å; K139-G141 VanDerWaalsContact C-N 3.27Å; K139-G141 PolarHBondContact O-N 3.26Å; G141-C143 PolarHBondContact O-N 3.06Å; G141-V144 WeakPolarHBondContact O-CB 3.39Å; G141-V144 PolarHBondContact O-N 3.18Å
142Q65.4Low64.8Low154 Ų154114.9 Ų114.972%0.7262%0.622SS**Hα-helixtrans-69.3-19.1176.8-62.5172-2.100112.8I138 K139 A140 V144I138-Q142 PolarHBondContact O-N 3.34Å; K139-Q142 WeakPolarHBondContact O-CB 3.47Å; K139-Q142 PolarHBondContact O-N 3.11Å; K139-Q142 VanDerWaalsContact O-N 3.07Å; A140-Q142 VanDerWaalsContact C-N 3.3Å; A140-Q142 PolarHBondContact O-N 3.44Å; Q142-V144 VanDerWaalsContact C-N 3.28Å; Q142-V144 PolarHBondContact O-N 3.28Å
143C61Low63.2Low80 Ų80113.1 Ų113.154%0.54161%0.612SS.*THydrogen-bonded Turntrans-79.2-5.8174-58.10000113.7A140 G141 I145A140-C143 WeakPolarHBondContact O-CB 3.45Å; A140-C143 PolarHBondContact O-N 3.33Å; G141-C143 PolarHBondContact O-N 3.06Å; C143-I145 PolarHBondContact O-N 2.98Å
144V56.6Low61.3Low116 Ų116112.5 Ų112.570%0.70362%0.619SS**  trans-82.284.6-178.8-174.40000110.5G141 Q142 G146G141-V144 WeakPolarHBondContact O-CB 3.39Å; G141-V144 PolarHBondContact O-N 3.18Å; Q142-V144 VanDerWaalsContact C-N 3.28Å; Q142-V144 PolarHBondContact O-N 3.28Å; V144-G146 PolarHBondContact O-N 3.48Å
145I55.3Low59.6Low88 Ų88109.4 Ų109.445%0.45161%0.61SS.*  trans-68.8116.4175.5-61176.7000109.7C143 M149C143-I145 PolarHBondContact O-N 2.98Å; I145-M149 HydrophobicContact CG2-CB 3.61Å; I145-M149 HydrophobicContact CG2-CG 4.4Å
146G56.2Low58Low45 Ų45103 Ų10346%0.46458%0.584SS.*  trans-64.2145.9177.900000113V144 Q148 M149V144-G146 PolarHBondContact O-N 3.48Å; G146-Q148 PolarHBondContact O-N 2.9Å; G146-M149 WeakPolarHBondContact O-CB 3.46Å; G146-M149 PolarHBondContact O-N 2.68Å
147L53.4Low56.7Low185 Ų185101.4 Ų101.497%0.96958%0.577SS**THydrogen-bonded Turntrans-56.8-20.2-166.2-149.482.6000115.7
148Q49.4Very low54.9Low195 Ų19598 Ų9891%0.91157%0.573SS**THydrogen-bonded Turntrans-83.8-13179.5-66.7-175.5-14.900114.2G146 G150G146-Q148 PolarHBondContact O-N 2.9Å; Q148-G150 PolarHBondContact O-N 3.42Å
149M51.9Low53.4Low142 Ų14296.3 Ų96.370%0.758%0.578SS**SBendtrans-8139.2-173-67.8-69.7-73.400114.4I145 G146I145-M149 HydrophobicContact CG2-CB 3.61Å; I145-M149 HydrophobicContact CG2-CG 4.4Å; G146-M149 WeakPolarHBondContact O-CB 3.46Å; G146-M149 PolarHBondContact O-N 2.68Å
150G48.3Very low51.8Low66 Ų6695.5 Ų95.568%0.6858%0.577SS**  trans68.693.4165.400000116.9Q148Q148-G150 PolarHBondContact O-N 3.42Å
151T42.7Very low50.8Low99 Ų9997.1 Ų97.161%0.60758%0.581SS**  trans-76.1123.1171.3161.80000112.1K153T151-K153 VanDerWaalsContact C-N 3.25Å; T151-K153 PolarHBondContact O-N 3.31Å; T151-K153 WeakPolarHBondContact OG1-CB 3.32Å; T151-K153 WeakPolarHBondContact OG1-CG 3.45Å; T151-K153 PolarHBondContact OG1-N 2.95Å
152N51.1Low49.7Very low73 Ų7398.2 Ų98.239%0.3959%0.585SS.*  trans-76.8-1.7179.698.2-51.3000115.1C154 A155N152-C154 PolarHBondContact O-N 3.37Å; N152-A155 PolarHBondContact O-N 2.57Å
153K41.7Very low48.7Very low150 Ų150100.3 Ų100.365%0.65259%0.588SS**THydrogen-bonded Turntrans-61.517.9-172.5-63.3177.6178.8178.20116.4T151 A233T151-K153 VanDerWaalsContact C-N 3.25Å; T151-K153 PolarHBondContact O-N 3.31Å; T151-K153 WeakPolarHBondContact OG1-CB 3.32Å; T151-K153 WeakPolarHBondContact OG1-CG 3.45Å; T151-K153 PolarHBondContact OG1-N 2.95Å; K153-A233 CarbonylContact C-O 3.39Å; K153-A233 WeakPolarHBondContact CA-O 3.45Å
154C44Very low48.1Very low93 Ų93100 Ų10063%0.62860%0.599SS**THydrogen-bonded Turntrans-130.6-13.5-172.7-60.40000115.3N152 S235N152-C154 PolarHBondContact O-N 3.37Å; C154-S235 CarbonylContact O-C 3.58Å; C154-S235 WeakPolarHBondContact O-CA 3.47Å; C154-S235 PolarHBondContact O-N 3.14Å
155A47.3Very low47.6Very low53 Ų5398.4 Ų98.444%0.43859%0.589SS.*  trans-128.7105.8-167.400000115.7N152 A234 S235 Q236N152-A155 PolarHBondContact O-N 2.57Å; A155-A234 VanDerWaalsContact N-CB 3.25Å; A155-S235 WeakPolarHBondContact CA-O 3.33Å; A155-Q236 HydrophobicContact CB-CG 3.93Å
156S45.5Very low47.1Very low36 Ų36104.9 Ų104.925%0.25261%0.608SS.*  trans-129.5169.2-175.679.80000114.3A158 A234 S235 Q236S156-A158 VanDerWaalsContact C-N 3.3Å; S156-A158 PolarHBondContact O-N 3.45Å; S156-A234 VanDerWaalsContact CB-C 3.4Å; S156-A234 VanDerWaalsContact CB-O 3.26Å; S156-A234 WeakPolarHBondContact CB-O 3.2Å; S156-A234 PolarHBondContact OG-O 3.07Å; S156-S235 WeakPolarHBondContact OG-CB 3.22Å; S156-S235 PolarHBondContact OG-N 3.29Å; S156-Q236 WeakPolarHBondContact O-CA 3.42Å; S156-Q236 WeakPolarHBondContact O-CB 3.36Å; S156-Q236 VanDerWaalsContact O-CG 3.31Å; S156-Q236 WeakPolarHBondContact O-CG 3.33Å; S156-Q236 PolarHBondContact O-N 3.2Å
157Q46.9Very low46.7Very low138 Ų138111.2 Ų111.265%0.64562%0.618SS**  trans-78.51.8-167.1-160.7156.91500116.1G159 M160Q157-G159 PolarHBondContact O-N 3.09Å; Q157-M160 HydrophobicContact CG-CB 4.08Å; Q157-M160 HydrophobicContact CG-CE 3.76Å; Q157-M160 HydrophobicContact CG-CG 4.32Å; Q157-M160 PolarHBondContact O-N 3.27Å; Q157-M160 VanDerWaalsContact O-N 3.1Å
158A40.6Very low46.5Very low58 Ų58111.2 Ų111.248%0.47961%0.612SS.*THydrogen-bonded Turntrans-67.197.4-177.500000111.9S156 R237S156-A158 VanDerWaalsContact C-N 3.3Å; S156-A158 PolarHBondContact O-N 3.45Å; A158-R237 WeakPolarHBondContact O-CA 3.26Å; A158-R237 WeakPolarHBondContact O-CB 3.49Å; A158-R237 PolarHBondContact O-N 3.1Å
159G46.6Very low46.1Very low55 Ų55110.4 Ų110.457%0.56761%0.613SS**THydrogen-bonded Turntrans109.16.2-176.800000115.2Q157 T161Q157-G159 PolarHBondContact O-N 3.09Å; G159-T161 PolarHBondContact O-N 2.89Å
160M42.3Very low45.9Very low79 Ų79111 Ų11139%0.38961%0.609SS.*  trans-76.9113.5170.5-74.6-134.8-66.200111.6Q157Q157-M160 HydrophobicContact CG-CB 4.08Å; Q157-M160 HydrophobicContact CG-CE 3.76Å; Q157-M160 HydrophobicContact CG-CG 4.32Å; Q157-M160 PolarHBondContact O-N 3.27Å; Q157-M160 VanDerWaalsContact O-N 3.1Å
161T51.4Low45.8Very low92 Ų92111.4 Ų111.456%0.56460%0.596SS**PPolyproline II helixtrans-70.5124.6169.9-520000110.4G159 T165G159-T161 PolarHBondContact O-N 2.89Å; T161-T165 HydrophobicContact CG2-CG2 4.15Å
162A47.1Very low46Very low65 Ų65111.8 Ų111.854%0.53760%0.599SS.*PPolyproline II helixtrans-69.3144.8178.300000111.9G164 T165A162-G164 PolarHBondContact O-N 2.72Å; A162-T165 PolarHBondContact N-OG1 3.46Å; A162-T165 WeakPolarHBondContact O-CB 3.46Å; A162-T165 PolarHBondContact O-N 3.26Å; A162-T165 PolarHBondContact O-OG1 3.13Å
163Y44.2Very low46Very low199 Ų199117.2 Ų117.278%0.7862%0.62SS**THydrogen-bonded Turntrans-54.4125.4174-111.8-78.9000110.5V241Y163-V241 HydrophobicContact CE2-CG1 3.79Å
164G47.5Very low46.5Very low74 Ų74113.4 Ų113.476%0.76361%0.609SS**THydrogen-bonded Turntrans90.1-2.3-177.300000115.9A162 R166A162-G164 PolarHBondContact O-N 2.72Å; G164-R166 PolarHBondContact O-N 2.88Å
165T45.6Very low46.8Very low82 Ų82118.8 Ų118.850%0.50362%0.624SS.*PPolyproline II helixtrans-62.5125.9172.7-50.50000110.3T161 A162T161-T165 HydrophobicContact CG2-CG2 4.15Å; A162-T165 PolarHBondContact N-OG1 3.46Å; A162-T165 WeakPolarHBondContact O-CB 3.46Å; A162-T165 PolarHBondContact O-N 3.26Å; A162-T165 PolarHBondContact O-OG1 3.13Å
166R44.5Very low46.7Very low223 Ų223120.1 Ų120.184%0.84263%0.628SS**PPolyproline II helixtrans-70.8134.7179.8-65.5-174.9-176.6-106.61.9110.9G164G164-R166 PolarHBondContact O-N 2.88Å
167R48.3Very low46.8Very low178 Ų178125.9 Ų125.967%0.67266%0.655SS**PPolyproline II helixtrans-77123.2167.4-74174.9164.2173.7-8.5108.4G245R167-G245 PolarHBondContact NH2-O 3.03Å; R167-G245 VanDerWaalsContact NH2-O 3.1Å
168H49.3Very low46.7Very low186 Ų186128.1 Ų128.186%0.86166%0.663SS**PPolyproline II helixtrans-74.5127.1164.7-78.5-112.4000108.6
169L42.1Very low46.9Very low177 Ų177131.1 Ų131.193%0.92768%0.678SS**PPolyproline II helixtrans-94.4123.1168.4-169.669.5000107
170Y48.1Very low46.8Very low154 Ų154138.2 Ų138.260%0.60469%0.689SS**  trans-95.7115.6-177.8-169.4-87.4000109.3P172Y170-P172 HydrophobicContact CD1-CG 4.25Å; Y170-P172 HydrophobicContact CE1-CG 4.32Å
171D44.4Very low46.8Very low76 Ų76139.2 Ų139.241%0.40670%0.696SS.*  trans-99.8112.7170.3-176.4-9000109.2K173 T174D171-K173 PolarHBondContact O-N 3.38Å; D171-K173 VanDerWaalsContact O-N 3.08Å; D171-K173 WeakPolarHBondContact OD1-CB 3.4Å; D171-K173 PolarHBondContact OD1-N 3.3Å; D171-T174 PolarHBondContact O-N 3.16Å; D171-T174 PolarHBondContact O-OG1 2.86Å; D171-T174 VanDerWaalsContact O-OG1 3.07Å
172P46.7Very low46.7Very low106 Ų106143.6 Ų143.669%0.68871%0.71SS**THydrogen-bonded Turntrans-60-16177.7-2434.8000115Y170Y170-P172 HydrophobicContact CD1-CG 4.25Å; Y170-P172 HydrophobicContact CE1-CG 4.32Å
173K52.5Low46.5Very low188 Ų188145.4 Ų145.482%0.81771%0.714SS**THydrogen-bonded Turntrans-83.7-17.7179.5-61.6-177.8179-178.90113.5D171D171-K173 PolarHBondContact O-N 3.38Å; D171-K173 VanDerWaalsContact O-N 3.08Å; D171-K173 WeakPolarHBondContact OD1-CB 3.4Å; D171-K173 PolarHBondContact OD1-N 3.3Å
174T52.4Low46.5Very low70 Ų70140.8 Ų140.843%0.42971%0.707SS.*SBendtrans-96.3116.6171.855.40000109.4D171 T176D171-T174 PolarHBondContact O-N 3.16Å; D171-T174 PolarHBondContact O-OG1 2.86Å; D171-T174 VanDerWaalsContact O-OG1 3.07Å; T174-T176 PolarHBondContact O-N 3.11Å
175H50.7Low46.4Very low205 Ų205143.6 Ų143.695%0.94970%0.703SS**  trans-68.674.3169.5-82.8-61000110.6
176T44.9Very low46.4Very low82 Ų82143 Ų14350%0.50370%0.703SS.*PPolyproline II helixtrans-97.7141.8165.952.30000109T174T174-T176 PolarHBondContact O-N 3.11Å
177D45.9Very low46.1Very low156 Ų156139.7 Ų139.783%0.83470%0.701SS**PPolyproline II helixtrans-58.9151.6-167.6-66.6-69.4000114.8
178K45Very low45.9Very low186 Ų186140.3 Ų140.381%0.80971%0.711SS**PPolyproline II helixtrans-52.6144.7172.9-70.3178.6178.7177.20110Y180K178-Y180 PolarHBondContact O-N 3.45Å
179P45.5Very low45.4Very low121 Ų121138.5 Ų138.579%0.78671%0.705SS**PPolyproline II helixtrans-53.7128.3-176.721.8-33.7000111.3
180Y44.9Very low45.5Very low204 Ų204133.2 Ų133.280%0.869%0.693SS**PPolyproline II helixtrans-55.1144.3-175.9-166-87.6000111.6K178 Q182K178-Y180 PolarHBondContact O-N 3.45Å; Y180-Q182 PolarHBondContact O-N 2.7Å
181D42.2Very low45.1Very low100 Ų100128.7 Ų128.754%0.53568%0.681SS.*PPolyproline II helixtrans-56.8123-172.7-177.718.1000112.2T183D181-T183 PolarHBondContact O-N 3.24Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.47Å; D181-T183 PolarHBondContact OD1-N 2.84Å; D181-T183 WeakPolarHBondContact OD2-CG2 3.18Å; D181-T183 PolarHBondContact OD2-OG1 3.35Å
182Q48.5Very low45.2Very low183 Ų183131.6 Ų131.686%0.85570%0.697SS**THydrogen-bonded Turntrans-80.7-0.4-172-152.6164.737.300112.9Y180 T184Y180-Q182 PolarHBondContact O-N 2.7Å; Q182-T184 VanDerWaalsContact C-N 3.32Å
183T42.5Very low44.7Very low103 Ų103135.9 Ų135.963%0.63271%0.705SS**THydrogen-bonded Turntrans-64.6-31.6172.861.50000113.5D181D181-T183 PolarHBondContact O-N 3.24Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.47Å; D181-T183 PolarHBondContact OD1-N 2.84Å; D181-T183 WeakPolarHBondContact OD2-CG2 3.18Å; D181-T183 PolarHBondContact OD2-OG1 3.35Å
184T45.3Very low44.3Very low102 Ų102130.2 Ų130.263%0.62670%0.7SS**  trans-110.484.1-165.3-58.40000111.9Q182 S186Q182-T184 VanDerWaalsContact C-N 3.32Å; T184-S186 PolarHBondContact O-N 3.03Å
185I44.9Very low43.9Very low133 Ų133131.1 Ų131.168%0.68271%0.714SS**  trans-77117.9172.5-57.6177000109.2M189I185-M189 HydrophobicContact CG2-CB 3.89Å
186S45.1Very low43.6Very low71 Ų71125.7 Ų125.750%0.49770%0.699SS.*  trans-67.9147.7177.865.50000111.9T184 Q188 M189T184-S186 PolarHBondContact O-N 3.03Å; S186-Q188 PolarHBondContact O-N 3.3Å; S186-M189 WeakPolarHBondContact O-CB 3.05Å; S186-M189 PolarHBondContact O-N 3.31Å; S186-M189 WeakPolarHBondContact OG-CG 3.39Å
187L40.1Very low43.7Very low153 Ų153129.1 Ų129.180%0.80171%0.71SS**THydrogen-bonded Turntrans-59.9-21.6-169.4-156.673.5000114.3T191L187-T191 HydrophobicContact CD1-CG2 3.61Å; L187-T191 HydrophobicContact CG-CG2 3.92Å; L187-T191 WeakPolarHBondContact O-CG2 3.31Å
188Q43.1Very low43.3Very low191 Ų191125.2 Ų125.289%0.89370%0.699SS**THydrogen-bonded Turntrans-79.9-16.4178.7-151.417012.900113.1S186 G190S186-Q188 PolarHBondContact O-N 3.3Å; Q188-G190 VanDerWaalsContact C-N 3.28Å; Q188-G190 PolarHBondContact O-N 3.32Å
189M39.5Very low43.2Very low148 Ų148120.2 Ų120.273%0.72970%0.7SS**THydrogen-bonded Turntrans-90.328.4-177.5-66.6-71.1-77.500113.6I185 S186I185-M189 HydrophobicContact CG2-CB 3.89Å; S186-M189 WeakPolarHBondContact O-CB 3.05Å; S186-M189 PolarHBondContact O-N 3.31Å; S186-M189 WeakPolarHBondContact OG-CG 3.39Å
190G44.4Very low42.9Very low66 Ų66121.4 Ų121.468%0.6870%0.697SS**THydrogen-bonded Turntrans92.683.7168.500000115.4Q188Q188-G190 VanDerWaalsContact C-N 3.28Å; Q188-G190 PolarHBondContact O-N 3.32Å
191T38.7Very low42.8Very low58 Ų58116.4 Ų116.436%0.35669%0.692SS.*  trans-74141166.8100.60000110.9L187 K193 G194L187-T191 HydrophobicContact CD1-CG2 3.61Å; L187-T191 HydrophobicContact CG-CG2 3.92Å; L187-T191 WeakPolarHBondContact O-CG2 3.31Å; T191-K193 PolarHBondContact O-N 3.28Å; T191-K193 PolarHBondContact OG1-N 3.44Å; T191-G194 PolarHBondContact O-N 3.06Å
192N45.5Very low42.7Very low137 Ų137114.6 Ų114.673%0.73369%0.691SS**THydrogen-bonded Turntrans-67.9-2.5177.568.2-8.2000114.7
193K37.9Very low42.2Very low197 Ų197112.4 Ų112.486%0.85769%0.692SS**THydrogen-bonded Turntrans-82.9-12.7179.9-66.1-176.7176.2179.20114.3T191T191-K193 PolarHBondContact O-N 3.28Å; T191-K193 PolarHBondContact OG1-N 3.44Å
194G43.8Very low42.1Very low69 Ų69111.3 Ų111.371%0.71170%0.702SS**THydrogen-bonded Turntrans-121.7-11.8-17800000115.8T191 S196T191-G194 PolarHBondContact O-N 3.06Å; G194-S196 PolarHBondContact O-N 2.86Å
195A44.4Very low41.9Very low88 Ų88110.5 Ų110.573%0.72770%0.697SS**  trans-85.492.7-175.200000111.9
196S44.6Very low41.5Very low92 Ų92114.7 Ų114.764%0.64370%0.704SS**  trans-90.6132.4165.5-175.30000110.4G194 A198G194-S196 PolarHBondContact O-N 2.86Å; S196-A198 VanDerWaalsContact C-N 3.3Å; S196-A198 WeakPolarHBondContact OG-CB 3.45Å; S196-A198 PolarHBondContact OG-N 3.21Å
197Q46.7Very low41.5Very low154 Ų154122.6 Ų122.672%0.7272%0.723SS**  trans-85.7-2.7172.8-161.1171.440.800112.6G199 M200Q197-G199 PolarHBondContact O-N 3.13Å; Q197-M200 HydrophobicContact CG-CB 4.14Å; Q197-M200 HydrophobicContact CG-CG 4.38Å; Q197-M200 HydrophobicContact CG-SD 4.36Å; Q197-M200 PolarHBondContact O-N 2.92Å; Q197-M200 VanDerWaalsContact O-N 3.12Å
198A36.7Very low41.6Very low74 Ų74121.1 Ų121.161%0.61272%0.716SS**THydrogen-bonded Turntrans-60.3119.617800000110.8S196S196-A198 VanDerWaalsContact C-N 3.3Å; S196-A198 WeakPolarHBondContact OG-CB 3.45Å; S196-A198 PolarHBondContact OG-N 3.21Å
199G42.4Very low41.5Very low80 Ų80120.1 Ų120.183%0.82572%0.715SS**THydrogen-bonded Turntrans94-0.6-178.400000115.9Q197 S201Q197-G199 PolarHBondContact O-N 3.13Å; G199-S201 PolarHBondContact O-N 3.39Å
200M39Very low41.8Very low146 Ų146121.5 Ų121.572%0.71972%0.717SS**  trans-81.393.6174.8-67.5-158.776.600112.5Q197Q197-M200 HydrophobicContact CG-CB 4.14Å; Q197-M200 HydrophobicContact CG-CG 4.38Å; Q197-M200 HydrophobicContact CG-SD 4.36Å; Q197-M200 PolarHBondContact O-N 2.92Å; Q197-M200 VanDerWaalsContact O-N 3.12Å
201S44.3Very low41.5Very low99 Ų99123.7 Ų123.769%0.69271%0.713SS**PPolyproline II helixtrans-69.8141165.9-59.30000111.3G199G199-S201 PolarHBondContact O-N 3.39Å
202A40.4Very low42Very low62 Ų62130.1 Ų130.151%0.51274%0.739SS.*PPolyproline II helixtrans-72.4148.1178.300000111.7G204 T205A202-G204 PolarHBondContact O-N 3.09Å; A202-G204 VanDerWaalsContact O-N 3.14Å; A202-T205 PolarHBondContact N-OG1 3.24Å; A202-T205 WeakPolarHBondContact O-CB 3.35Å; A202-T205 PolarHBondContact O-N 2.98Å; A202-T205 PolarHBondContact O-OG1 3.5Å; A202-T205 VanDerWaalsContact O-OG1 3.08Å
203P37.3Very low42.1Very low138 Ų138132.4 Ų132.490%0.89674%0.743SS**THydrogen-bonded Turntrans-56.5120.1170.8-24.234.6000110.8
204G40.9Very low42.5Very low80 Ų80128.4 Ų128.483%0.82573%0.734SS**THydrogen-bonded Turntrans99.7-7.3-17600000115.6A202 R206A202-G204 PolarHBondContact O-N 3.09Å; A202-G204 VanDerWaalsContact O-N 3.14Å; G204-R206 PolarHBondContact O-N 3.21Å
205T39.9Very low42.5Very low85 Ų85129.8 Ų129.852%0.52174%0.739SS.*  trans-62.4128.1169.2-54.90000110A202A202-T205 PolarHBondContact N-OG1 3.24Å; A202-T205 WeakPolarHBondContact O-CB 3.35Å; A202-T205 PolarHBondContact O-N 2.98Å; A202-T205 PolarHBondContact O-OG1 3.5Å; A202-T205 VanDerWaalsContact O-OG1 3.08Å
206R37.7Very low42.6Very low220 Ų220132.8 Ų132.883%0.8374%0.742SS**  trans-64.6145.8175.5-74.2-174.2173.9-174.3-1.8110.7G204G204-R206 PolarHBondContact O-N 3.21Å
207R45.1Very low42.7Very low237 Ų237137 Ų13789%0.89475%0.752SS**  trans-96.6105.5167.8-75.6-172-80.5174.6-6.1108.1
208D41Very low42.6Very low123 Ų123135.7 Ų135.766%0.65876%0.757SS**  trans-73.9132.8175.9-62.6-35.3000110.2F210D208-F210 HydrophobicContact CB-CE2 4.01Å; D208-F210 HydrophobicContact CB-CZ 4.46Å
209I41.2Very low43.3Very low170 Ų170139.4 Ų139.487%0.87277%0.765SS**  trans-98.5108.9178.7-57.7176.3000107.4
210F45.8Very low43.2Very low177 Ų177139 Ų13978%0.77674%0.744SS**  trans-84.9127.4177.4-70-90.4000110.9D208D208-F210 HydrophobicContact CB-CE2 4.01Å; D208-F210 HydrophobicContact CB-CZ 4.46Å
211D38.3Very low43.6Very low111 Ų111138.4 Ų138.459%0.59474%0.744SS**  trans-74.4123.1164.6-173.8-23000108.9K213 V214D211-K213 PolarHBondContact O-N 3.18Å; D211-K213 PolarHBondContact OD1-N 3.12Å; D211-K213 VanDerWaalsContact OD1-N 3.09Å; D211-V214 PolarHBondContact O-N 3.2Å
212Q48.4Very low43.6Very low194 Ų194138.4 Ų138.491%0.90774%0.744SS**THydrogen-bonded Turntrans-63.4-7.9-174.2-162171.48.200114
213K48.4Very low43.8Very low185 Ų185138.9 Ų138.980%0.80474%0.741SS**THydrogen-bonded Turntrans-89.8-13.6-179.7-64.8-179.2-176.8175.50115.2D211 A215D211-K213 PolarHBondContact O-N 3.18Å; D211-K213 PolarHBondContact OD1-N 3.12Å; D211-K213 VanDerWaalsContact OD1-N 3.09Å; K213-A215 PolarHBondContact O-N 2.62Å
214V46.8Very low44.1Very low112 Ų112138.5 Ų138.568%0.67973%0.73SS**SBendtrans-92.884.5175.7-174.80000109.5D211 L216D211-V214 PolarHBondContact O-N 3.2Å; V214-L216 VanDerWaalsContact C-N 3.27Å; V214-L216 PolarHBondContact O-N 3.3Å
215A42.3Very low44.1Very low99 Ų99137.8 Ų137.882%0.81871%0.712SS**  trans-73.373.9-179.100000112.7K213K213-A215 PolarHBondContact O-N 2.62Å
216L47.3Very low44.3Very low150 Ų150140.6 Ų140.679%0.78572%0.723SS**PPolyproline II helixtrans-63.3146.5151.8-70171.8000108.6V214V214-L216 VanDerWaalsContact C-N 3.27Å; V214-L216 PolarHBondContact O-N 3.3Å
217Q46.3Very low44.6Very low182 Ų182137.3 Ų137.385%0.8572%0.717SS**PPolyproline II helixtrans-59146.2-176.2-72.5-173.1-8.500111.7L219Q217-L219 PolarHBondContact O-N 3.25Å; Q217-L219 VanDerWaalsContact O-N 3.16Å
218P45.4Very low44.4Very low126 Ų126132.1 Ų132.182%0.81870%0.704SS**PPolyproline II helixtrans-55.2121.7169.3-22.133.1000110D220P218-D220 PolarHBondContact O-N 3.41Å
219L50.1Low44.5Very low152 Ų152128.6 Ų128.680%0.79670%0.698SS**PPolyproline II helixtrans-65.1130.2179.6-173.764.6000109.9Q217 N221Q217-L219 PolarHBondContact O-N 3.25Å; Q217-L219 VanDerWaalsContact O-N 3.16Å; L219-N221 PolarHBondContact O-N 2.94Å
220D40.3Very low44.4Very low72 Ų72124.3 Ų124.339%0.38568%0.679SS.*  trans-72.684.8-176.2179.714000112.2K139 P218 S222 T223K139-D220 IonicContact NZ-OD2 2.69Å; K139-D220 PolarHBondContact NZ-OD2 3.45Å; P218-D220 PolarHBondContact O-N 3.41Å; D220-S222 VanDerWaalsContact CG-OG 3.28Å; D220-S222 PolarHBondContact O-N 3.37Å; D220-S222 VanDerWaalsContact O-N 3.1Å; D220-S222 WeakPolarHBondContact OD1-CB 3.36Å; D220-S222 PolarHBondContact OD1-N 3.08Å; D220-S222 PolarHBondContact OD1-OG 3.1Å; D220-S222 PolarHBondContact OD2-OG 3.41Å; D220-T223 PolarHBondContact O-N 3.38Å
221N47.6Very low44.4Very low133 Ų133122.7 Ų122.771%0.71168%0.679SS**THydrogen-bonded Turntrans-67.3-1.6176.7-75.6-8.8000114.2L219 T223L219-N221 PolarHBondContact O-N 2.94Å; N221-T223 VanDerWaalsContact C-N 3.28Å
222S44.1Very low44.4Very low98 Ų98126.1 Ų126.169%0.68569%0.688SS**THydrogen-bonded Turntrans-70.3-26.5175.174.50000112.7D220D220-S222 VanDerWaalsContact CG-OG 3.28Å; D220-S222 PolarHBondContact O-N 3.37Å; D220-S222 VanDerWaalsContact O-N 3.1Å; D220-S222 WeakPolarHBondContact OD1-CB 3.36Å; D220-S222 PolarHBondContact OD1-N 3.08Å; D220-S222 PolarHBondContact OD1-OG 3.1Å; D220-S222 PolarHBondContact OD2-OG 3.41Å
223T45.8Very low44.2Very low73 Ų73120 Ų12045%0.44867%0.67SS.*SBendtrans-11175.8-173.7-49.60000110.9D220 N221 S225D220-T223 PolarHBondContact O-N 3.38Å; N221-T223 VanDerWaalsContact C-N 3.28Å; T223-S225 PolarHBondContact O-N 3.04Å
224I42.3Very low43.8Very low130 Ų130113 Ų11367%0.66765%0.647SS**  trans-64.9121.4177-62.5177.2000110M228I224-M228 HydrophobicContact CG2-CB 3.8Å; I224-M228 HydrophobicContact CG2-CG 3.95Å
225S42.9Very low43.6Very low64 Ų64110.5 Ų110.545%0.44864%0.635SS.*  trans-73.2150.5176.567.30000111.9T223 Q227 M228T223-S225 PolarHBondContact O-N 3.04Å; S225-Q227 PolarHBondContact O-N 2.97Å; S225-M228 PolarHBondContact O-N 3.44Å; S225-M228 VanDerWaalsContact O-N 3.09Å
226L43.9Very low43.6Very low145 Ų145108.5 Ų108.576%0.75961%0.609SS**THydrogen-bonded Turntrans-61-5.1179.3-100.485.7000114.8M228L226-M228 VanDerWaalsContact C-N 3.3Å
227Q42.9Very low43.1Very low151 Ų151112 Ų11271%0.70661%0.611SS**THydrogen-bonded Turntrans-73.9-20.3174.9-163.2171.7400112.4S225 G229S225-Q227 PolarHBondContact O-N 2.97Å; Q227-G229 PolarHBondContact O-N 2.91Å; Q227-G229 VanDerWaalsContact O-N 3.11Å
228M40.5Very low43Very low127 Ų127106.7 Ų106.763%0.62661%0.606SS**SBendtrans-75.397167.5-67.5-65.9-90.500109I224 S225 L226I224-M228 HydrophobicContact CG2-CB 3.8Å; I224-M228 HydrophobicContact CG2-CG 3.95Å; S225-M228 PolarHBondContact O-N 3.44Å; S225-M228 VanDerWaalsContact O-N 3.09Å; L226-M228 VanDerWaalsContact C-N 3.3Å
229G43.1Very low42.7Very low50 Ų50106.6 Ų106.652%0.51560%0.596SS.*  trans-53.8132.6-155.800000117Q227Q227-G229 PolarHBondContact O-N 2.91Å; Q227-G229 VanDerWaalsContact O-N 3.11Å
230T39.8Very low42.5Very low79 Ų79103.3 Ų103.349%0.48559%0.586SS.*  trans-75.6145.6172.179.70000111.6K232T230-K232 VanDerWaalsContact C-N 3.33Å; T230-K232 PolarHBondContact O-N 3.31Å
231N45.1Very low42.6Very low143 Ų143102.4 Ų102.477%0.76558%0.583SS**SBendtrans-87.922.7-173.462.1-9.1000115
232K38.4Very low42.2Very low184 Ų184106.8 Ų106.880%0.859%0.591SS**SBendtrans-106.8-26.3-161.8-75.5-167.1173.6-176.40119T230T230-K232 VanDerWaalsContact C-N 3.33Å; T230-K232 PolarHBondContact O-N 3.31Å
233A44.3Very low42.1Very low64 Ų64106.2 Ų106.253%0.52960%0.6SS.*SBendtrans-158.6114.1-178.800000111.6K153K153-A233 CarbonylContact C-O 3.39Å; K153-A233 WeakPolarHBondContact CA-O 3.45Å
234A41.1Very low41.7Very low39 Ų39106.4 Ų106.432%0.32260%0.598SS.*  trans177.3162.7-171.500000113.3A155 S156A155-A234 VanDerWaalsContact N-CB 3.25Å; S156-A234 VanDerWaalsContact CB-C 3.4Å; S156-A234 VanDerWaalsContact CB-O 3.26Å; S156-A234 WeakPolarHBondContact CB-O 3.2Å; S156-A234 PolarHBondContact OG-O 3.07Å
235S42.8Very low41.7Very low59 Ų59102.5 Ų102.541%0.41359%0.59SS.*  trans-153114.1-166.9171.20000114.4C154 A155 S156 R237C154-S235 CarbonylContact O-C 3.58Å; C154-S235 WeakPolarHBondContact O-CA 3.47Å; C154-S235 PolarHBondContact O-N 3.14Å; A155-S235 WeakPolarHBondContact CA-O 3.33Å; S156-S235 WeakPolarHBondContact OG-CB 3.22Å; S156-S235 PolarHBondContact OG-N 3.29Å; S235-R237 PolarHBondContact OG-N 3.02Å
236Q41.8Very low41.6Very low57 Ų57110.7 Ų110.727%0.26661%0.611SS.*  trans-123.628.5162.5-57.31728.500112.5A155 S156 G238 M239A155-Q236 HydrophobicContact CB-CG 3.93Å; S156-Q236 WeakPolarHBondContact O-CA 3.42Å; S156-Q236 WeakPolarHBondContact O-CB 3.36Å; S156-Q236 VanDerWaalsContact O-CG 3.31Å; S156-Q236 WeakPolarHBondContact O-CG 3.33Å; S156-Q236 PolarHBondContact O-N 3.2Å; Q236-G238 PolarHBondContact O-N 3.43Å; Q236-M239 HydrophobicContact CB-CB 4.41Å; Q236-M239 HydrophobicContact CB-CG 4.25Å; Q236-M239 HydrophobicContact CB-SD 4.19Å; Q236-M239 HydrophobicContact CG-SD 4.18Å; Q236-M239 PolarHBondContact O-N 3.26Å; Q236-M239 VanDerWaalsContact O-N 3.13Å
237R37.7Very low41.6Very low223 Ų223112.9 Ų112.984%0.84262%0.617SS**THydrogen-bonded Turntrans-59.4104.8-179.4-165.1178.3-172.3-178.92.4110.8A158 S235A158-R237 WeakPolarHBondContact O-CA 3.26Å; A158-R237 WeakPolarHBondContact O-CB 3.49Å; A158-R237 PolarHBondContact O-N 3.1Å; S235-R237 PolarHBondContact OG-N 3.02Å
238G42.8Very low41.4Very low71 Ų71112.2 Ų112.273%0.73262%0.623SS**THydrogen-bonded Turntrans116.1-3.1179.600000116.3Q236 S240Q236-G238 PolarHBondContact O-N 3.43Å; G238-S240 PolarHBondContact O-N 3.41Å
239M39Very low41.4Very low125 Ų125112.7 Ų112.762%0.61662%0.619SS**  trans-79114.4177.1-69.6-165.871.900112.6Q236Q236-M239 HydrophobicContact CB-CB 4.41Å; Q236-M239 HydrophobicContact CB-CG 4.25Å; Q236-M239 HydrophobicContact CB-SD 4.19Å; Q236-M239 HydrophobicContact CG-SD 4.18Å; Q236-M239 PolarHBondContact O-N 3.26Å; Q236-M239 VanDerWaalsContact O-N 3.13Å
240S46.1Very low41.3Very low83 Ų83113.7 Ų113.758%0.5861%0.612SS**PPolyproline II helixtrans-84.7136.1169.4-178.70000111.1G238 L244G238-S240 PolarHBondContact O-N 3.41Å; S240-L244 WeakPolarHBondContact OG-CB 3.42Å; S240-L244 WeakPolarHBondContact OG-CD1 3.36Å
241V43.6Very low41.6Very low53 Ų53114.9 Ų114.932%0.32162%0.621SS.*PPolyproline II helixtrans-63.7143.4175.4173.20000111.4Y163 G243 L244Y163-V241 HydrophobicContact CE2-CG1 3.79Å; V241-G243 PolarHBondContact O-N 3.35Å; V241-L244 HydrophobicContact CB-CD1 4.38Å; V241-L244 PolarHBondContact O-N 3.24Å
242Y37.4Very low41.6Very low225 Ų225116.2 Ų116.288%0.88262%0.62SS**THydrogen-bonded Turntrans-55.1129.5173.2-81.2-91.6000111.2
243G42.7Very low42Very low85 Ų85115.7 Ų115.788%0.87662%0.615SS**THydrogen-bonded Turntrans99.2-8.9-177.900000115.1V241 G245V241-G243 PolarHBondContact O-N 3.35Å; G243-G245 PolarHBondContact O-N 2.71Å
244L37.8Very low42Very low77 Ų77115.5 Ų115.540%0.40361%0.608SS.*PPolyproline II helixtrans-72.9119.6168.3-83.9168000110.9S240 V241 R246S240-L244 WeakPolarHBondContact OG-CB 3.42Å; S240-L244 WeakPolarHBondContact OG-CD1 3.36Å; V241-L244 HydrophobicContact CB-CD1 4.38Å; V241-L244 PolarHBondContact O-N 3.24Å; L244-R246 PolarHBondContact O-N 3.23Å
245G41.7Very low42.4Very low48 Ų48117.6 Ų117.650%0.49563%0.626SS.*PPolyproline II helixtrans-58.5127.1172.100000111.5R167 G243R167-G245 PolarHBondContact NH2-O 3.03Å; R167-G245 VanDerWaalsContact NH2-O 3.1Å; G243-G245 PolarHBondContact O-N 2.71Å
246R40.3Very low42.5Very low237 Ų237119.9 Ų119.989%0.89464%0.639SS**PPolyproline II helixtrans-64.1147.9171.9-65.3-179.8178.3-118.70.6109.7L244 V248L244-R246 PolarHBondContact O-N 3.23Å; R246-V248 PolarHBondContact O-N 3.26Å
247Q44.7Very low42.8Very low191 Ų191123 Ų12389%0.89366%0.664SS**PPolyproline II helixtrans-66.6124.9161.9-75.9172-37.200108
248V39.6Very low43.3Very low137 Ų137117.9 Ų117.983%0.8366%0.658SS**PPolyproline II helixtrans-82.5123168.8178.60000106.8R246 D250R246-V248 PolarHBondContact O-N 3.26Å; V248-D250 PolarHBondContact O-N 3.1Å
249Y40.8Very low43Very low137 Ų137123.3 Ų123.354%0.53767%0.665SS.*  trans-84.1107174.3-171.4-85.2000107.7P251 C254 A255Y249-P251 WeakPolarHBondContact O-CD 3.37Å; Y249-C254 HydrophobicContact CD2-CB 4.36Å; Y249-C254 HydrophobicContact CE1-CB 3.8Å; Y249-C254 HydrophobicContact CE2-CB 3.61Å; Y249-C254 WeakPolarHBondContact OH-CB 3.35Å; Y249-A255 PolarHBondContact OH-O 3.12Å
250D40.2Very low43.2Very low70 Ų70122.8 Ų122.837%0.37467%0.67SS.*  trans-88.6115.4173.1-177.4-10.4000109.1V248 K252 Y253V248-D250 PolarHBondContact O-N 3.1Å; D250-K252 PolarHBondContact O-N 3.38Å; D250-K252 WeakPolarHBondContact OD1-CB 3.44Å; D250-K252 PolarHBondContact OD1-N 3.37Å; D250-Y253 HydrophobicContact CB-CD2 4.07Å; D250-Y253 PolarHBondContact O-N 3.45Å; D250-Y253 VanDerWaalsContact O-N 3.12Å; D250-Y253 WeakPolarHBondContact OD2-CE2 3.38Å
251P45.4Very low42.8Very low104 Ų104124.6 Ų124.668%0.67568%0.678SS**THydrogen-bonded Turntrans-58.9-16.4178.8-24.335.5000114.7Y249 Y253Y249-P251 WeakPolarHBondContact O-CD 3.37Å; P251-Y253 PolarHBondContact O-N 3.32Å
252K45.8Very low42.5Very low172 Ų172129.4 Ų129.475%0.74870%0.7SS**THydrogen-bonded Turntrans-66.4-19.3174.8-72.9-175171.8-175.60114.2D250D250-K252 PolarHBondContact O-N 3.38Å; D250-K252 WeakPolarHBondContact OD1-CB 3.44Å; D250-K252 PolarHBondContact OD1-N 3.37Å
253Y46.1Very low42.6Very low173 Ų173126.3 Ų126.368%0.67869%0.693SS**SBendtrans-125.16.2-172.7-54.9-73.2000114.1D250 P251D250-Y253 HydrophobicContact CB-CD2 4.07Å; D250-Y253 PolarHBondContact O-N 3.45Å; D250-Y253 VanDerWaalsContact O-N 3.12Å; D250-Y253 WeakPolarHBondContact OD2-CE2 3.38Å; P251-Y253 PolarHBondContact O-N 3.32Å
254C45.9Very low42.5Very low59 Ų59131.9 Ų131.940%0.39969%0.694SS.*SBendtrans-144.1125.8-178.6-71.50000111Y249Y249-C254 HydrophobicContact CD2-CB 4.36Å; Y249-C254 HydrophobicContact CE1-CB 3.8Å; Y249-C254 HydrophobicContact CE2-CB 3.61Å; Y249-C254 WeakPolarHBondContact OH-CB 3.35Å
255A47.7Very low42.5Very low84 Ų84135.8 Ų135.869%0.69472%0.715SS**  trans-72.6146.9-177.800000113Y249Y249-A255 PolarHBondContact OH-O 3.12Å
256P45.3Very low42.5Very low106 Ų106137.9 Ų137.969%0.68874%0.736SS**  trans-72.4141.4-177.429.3-35.1000112.7T258P256-T258 VanDerWaalsContact C-N 3.3Å; P256-T258 PolarHBondContact O-N 2.93Å
257P48.4Very low42.2Very low122 Ų122131.9 Ų131.979%0.79273%0.731SS**SBendtrans-87.346.2-169.837.2-39000114
258T48.8Very low41.9Very low117 Ų117132.7 Ų132.772%0.71873%0.734SS**  trans-144.673.3-176.753.70000114.3P256P256-T258 VanDerWaalsContact C-N 3.3Å; P256-T258 PolarHBondContact O-N 2.93Å
259E36.6Very low41.6Very low185 Ų185129.2 Ų129.286%0.86473%0.726SS**  trans-153.3128.6150.9-126.4169.4-132.500110.8
260P41.6Very low41.2Very low113 Ų113129.8 Ų129.873%0.73474%0.744SS**  trans-89.4115-175.432.7-32.3000112.3I262P260-I262 PolarHBondContact O-N 3.33Å
261V38.2Very low40.8Very low122 Ų122129.6 Ų129.674%0.73976%0.759SS**  trans-72.1111.9173.6-177.70000110.2H263V261-H263 PolarHBondContact O-N 3.05Å
262I38.6Very low40.2Very low153 Ų153131 Ų13179%0.78577%0.766SS**  trans-84.8105.1-179.1-56.5175.4000110.1P260P260-I262 PolarHBondContact O-N 3.33Å
263H38.4Very low39.5Very low160 Ų160131 Ų13174%0.74177%0.773SS**  trans-80.7128.8167.6-74.5-95000111.1V261 N265V261-H263 PolarHBondContact O-N 3.05Å; H263-N265 PolarHBondContact O-N 3.07Å
264K40.2Very low38.8Very low203 Ų203126.4 Ų126.488%0.88378%0.779SS**SBendtrans-75.386.7173.6-76.7-177.9176.9174.70111.3
265N38.7Very low38.1Very low159 Ų159129 Ų12985%0.8580%0.798SS**SBendtrans-159.3132.8142.9-97.3-30000109.6H263 S267H263-N265 PolarHBondContact O-N 3.07Å; N265-S267 PolarHBondContact O-N 3.08Å; N265-S267 VanDerWaalsContact O-N 3.13Å
266G42.1Very low37.2Very low91 Ų91134.2 Ų134.294%0.93881%0.808SS**  trans-76.3101.1-164.700000114.1
267S33.5Very low36.6Very low112 Ų112136.6 Ų136.678%0.78381%0.813SS**  trans-141.5117.3164.5-175.70000110.3N265 G269N265-S267 PolarHBondContact O-N 3.08Å; N265-S267 VanDerWaalsContact O-N 3.13Å; S267-G269 PolarHBondContact O-N 3.18Å
268Q38.1Very low35.6Very low208 Ų208136.1 Ų136.197%0.97281%0.813SS**  trans-8894.1172.8-74.6-169.9-19.300109.6
269G32.8Very low34.9Very low63 Ų63138 Ų13865%0.64982%0.818SS**  trans-117.3118.1174.800000111.9S267 G271S267-G269 PolarHBondContact O-N 3.18Å; G269-G271 PolarHBondContact O-N 2.77Å
270T33Very low34.5Very low150 Ų150133.5 Ų133.592%0.9281%0.807SS**  trans-87.490.1-178.151.90000113
271G31.7Very low33.8Very low66 Ų66135.1 Ų135.168%0.6881%0.81SS**  trans84.5165.6150.800000119.3G269G269-G271 PolarHBondContact O-N 2.77Å
272T32.3Very low33.4Very low134 Ų134140.1 Ų140.182%0.82282%0.817SS**  trans67.664.4170.155.10000118.5
273N31Very low32.9Very low170 Ų170140.8 Ų140.891%0.90982%0.817SS**  trans30.9107130.4-54.64.3000118.4
274G31.7Very low32.4Very low77 Ų77138.5 Ų138.579%0.79481%0.814SS**  trans-179.947.5171.700000113.1E276G274-E276 PolarHBondContact O-N 2.88Å
275S32.3Very low31.7Very low115 Ų115136.2 Ų136.280%0.80481%0.806SS**  trans-73.6114.4-172.9530000113
276E28.2Very low31.1Very low192 Ų192136.2 Ų136.290%0.89780%0.799SS**  trans-72.4156.3155.5-65.3-173.2140.600110.2G274G274-E276 PolarHBondContact O-N 2.88Å
277I32Very low30.4Very low157 Ų157137.8 Ų137.881%0.80578%0.782SS**  trans-93144.5-169.5-62.2166.7000110.4
278S27.4Very low30.2Very low111 Ų111138.8 Ų138.878%0.77677%0.774SS**  trans-132.1123.5157.8-171.80000109.1
279D34.2Very low29.8Very low156 Ų156136.3 Ų136.383%0.83476%0.763SS**  trans-76.7127.9172.4-80.5-49000111
280S27.9Very low29.7Very low91 Ų91139 Ų13964%0.63676%0.759SS**  trans-173.4145.5152.653.20000111.3
281D28.1Very low29.5Very low148 Ų148140.8 Ų140.879%0.79175%0.75SS**  trans64.786.9158.5-51.6-21.5000116.2
282Y29.3Very low29.4Very low227 Ų227145.5 Ų145.589%0.8975%0.754SS**  70.8138.460.5-119.6-86.5000115.1
283Q27.7Very low29.4Very low167 Ų167143.8 Ų143.878%0.7875%0.753SS**  trans78.7119.3174-56.5-156.1-79.900116.2
284V29Very low29.3Very low111 Ų111139.1 Ų139.167%0.67375%0.745SS**  76122.267.5161.40000110.6
285E25.5Very low29.2Very low156 Ų156144.8 Ų144.873%0.72974%0.744SS**  cis-153.7-161.30.3-119.7166.9-178.600109.1
286F26.3Very low29.3Very low159 Ų159146.8 Ų146.870%0.69774%0.74SS**  cis-158.2-144.621.5-154.5-146.9000112.8
287Q27.5Very low29.5Very low124 Ų124143.7 Ų143.758%0.57973%0.73SS**  trans-80.3179.7-178.1-67.2165.4-105.700113.1
288E28.8Very low29.3Very low132 Ų132142.3 Ų142.362%0.61772%0.724SS**  cis-164.8149.627.9-150.3138.4-114.700113.7
289E29.9Very low29.5Very low156 Ų156146.6 Ų146.673%0.72973%0.725SS**  trans46.7157145-70.3174.2-16800123.6
290E29.6Very low29.3Very low121 Ų121145.8 Ų145.857%0.56572%0.72SS**  cis-166.6-175.6-24.5-178.2163.3-118.900108.7
291Y29.3Very low29.6Very low186 Ų186144.8 Ų144.873%0.72971%0.713SS**  trans94.491.2161.9-66.5-81.4000119.6
292H30.4Very low29.9Very low166 Ų166146.1 Ų146.177%0.76971%0.714SS**  21.5153.3106.7-66.7-81.2000120.1
293A30.8Very low30.1Very low97 Ų97144.1 Ų144.180%0.80271%0.707SS**  cis-177.5157.5-19.800000108.4
294G29.5Very low30.5Very low73 Ų73143.3 Ų143.375%0.75371%0.708SS**  trans165.3132.4170.300000113.7
295Y29.7Very low30.9Very low196 Ų196144.6 Ų144.677%0.76971%0.711SS**  trans-143.8159.2-176-109.3-90.8000110.2
296H33.5Very low32Very low157 Ų157142 Ų14273%0.72771%0.708SS**  trans67.1149.3164.6-71.3-62000117.6
297D32.4Very low32.4Very low126 Ų126141.1 Ų141.167%0.67471%0.71SS**  cis-164.7-158.7-26.6-145-43.8000109.3
298D29.7Very low33.1Very low129 Ų129143.5 Ų143.569%0.6973%0.725SS**  trans102.4100.4145.6-72.4-41.8000121
299Y30Very low33.6Very low201 Ų201143.6 Ų143.679%0.78873%0.73SS**  59.8115.6113.6-97.7-82.6000122.5
300N31.6Very low34.1Very low138 Ų138150 Ų15074%0.73875%0.749SS**  125.6128107.5-141.812.4000120.3
301S33.1Very low34.3Very low70 Ų70151.5 Ų151.549%0.4976%0.758SS.*  trans49.4131137.5-173.30000123.9
302H35.2Very low34.5Very low176 Ų176149.6 Ų149.682%0.81576%0.76SS**  169.3166.6122-91.633.1000110.3
303Y33.8Very low34.8Very low185 Ų185148.7 Ų148.773%0.72576%0.76SS**  -167.5139.8-56.4-140.1-48.6000108.3
304N35.1Very low35Very low151 Ų151151.8 Ų151.881%0.80776%0.757SS**  trans80.3153.9157.8-76-23.3000123.1
305D38.1Very low35.4Very low137 Ų137156.7 Ų156.773%0.73376%0.757SS**  trans-101.8176.6-174.1-172.531.8000110.7N307D305-N307 PolarHBondContact OD2-N 3.45Å
306P47.6Very low35.7Very low102 Ų102154.1 Ų154.166%0.66276%0.757SS**  -155.3151.592.639.2-19.7000118.9
307N34.1Very low35.9Very low140 Ų140153.9 Ų153.975%0.74976%0.759SS**  trans69.1120.4140.5-64.1-6.8000121.7D305D305-N307 PolarHBondContact OD2-N 3.45Å
308I43.3Very low36.2Very low175 Ų175156 Ų15690%0.89777%0.765SS**  trans-131.4144.2131.8-64.6-176.2000107.5
309D38.6Very low36.7Very low134 Ų134158.3 Ų158.372%0.71777%0.772SS**  trans-133.2140-179.7-16619.9000109.4
310Y40.2Very low37.3Very low290 Ų290154.4 Ų154.4100%1.13777%0.77SS**  trans49.30-174.7-73-88.9000118.9

Retrieved 310 of 310 residues in 55.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).