A0A913KVP0_SCHMA Loading...

Transgelin AlphaSync

AlphaFold DB , UniProt , Accession A0A913KVP0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 190 aa.

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

 

Download Structure   AlphaSync Parameters   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
1M51.8Low71.9Confident225 Ų225119.8 Ų119.8100%1.10872%0.721SS**  0103.40-69.9165.9173.600106.5
2A53.5Low73.3Confident106 Ų106112.5 Ų112.588%0.87668%0.683SS**  trans-119.120.1-165.300000113.3
3N60.4Low74.7Confident164 Ų164113.9 Ų113.988%0.87768%0.678SS**  trans-124.133.7-167.3-133.914000113.1
4Q61.2Low75.8Confident148 Ų148111.1 Ų111.169%0.69266%0.661SS**PPolyproline II helixtrans-85.6118.8174.4-158.3157.915.600108.5
5P65.8Low76.7Confident112 Ų112111 Ų11173%0.72765%0.649SS**PPolyproline II helixtrans-60.5144.1-178.424.8-32.8000109.7A7P5-A7 PolarHBondContact O-N 3.45Å; P5-A7 VanDerWaalsContact O-N 3.1Å
6L69.8Low77.7Confident167 Ų167116.1 Ų116.187%0.87465%0.654SS**PPolyproline II helixtrans-50.3123.8167.4-77.1165.6000107.9S8L6-S8 PolarHBondContact O-N 2.93Å
7A74.3Confident78.7Confident47 Ų47118.5 Ų118.539%0.38866%0.656SS.*PPolyproline II helixtrans-56.9118.6179.200000108.5P5 A12 K15P5-A7 PolarHBondContact O-N 3.45Å; P5-A7 VanDerWaalsContact O-N 3.1Å; A7-A12 HydrophobicContact CB-CB 4.38Å; A7-A12 VanDerWaalsContact O-CB 3.25Å; A7-A12 WeakPolarHBondContact O-CB 3.35Å; A7-K15 HydrophobicContact CB-CD 4.38Å
8S86Confident79.4Confident92 Ų92113.7 Ų113.764%0.64363%0.629SS**  trans-122.1161.3177.764.60000109.9L6 L10 S11 A12L6-S8 PolarHBondContact O-N 2.93Å; S8-L10 PolarHBondContact O-N 2.84Å; S8-S11 PolarHBondContact O-N 3.37Å; S8-A12 PolarHBondContact O-N 2.94Å
9G91.5Very high80.1Confident52 Ų52113.3 Ų113.354%0.53662%0.622SS.*Hα-helixtrans53.7-127.7179.400000113.3S11 A12 Q13G9-S11 VanDerWaalsContact C-N 3.34Å; G9-S11 PolarHBondContact O-N 3.46Å; G9-A12 WeakPolarHBondContact O-CB 3.27Å; G9-A12 PolarHBondContact O-N 2.94Å; G9-Q13 WeakPolarHBondContact O-CG 3.47Å; G9-Q13 PolarHBondContact O-N 3.38Å
10L89.6Confident80.8Confident127 Ų127110.9 Ų110.967%0.66562%0.624SS**Hα-helixtrans-60.4-40.2-179.5-17760.6000112.6S8 A12 Q13 V14S8-L10 PolarHBondContact O-N 2.84Å; L10-A12 VanDerWaalsContact C-N 3.27Å; L10-A12 PolarHBondContact O-N 3.25Å; L10-Q13 PolarHBondContact O-N 3.23Å; L10-Q13 VanDerWaalsContact O-N 3.15Å; L10-V14 HydrophobicContact CD1-CG2 4.34Å; L10-V14 HydrophobicContact CG-CG2 4.43Å; L10-V14 WeakPolarHBondContact O-CG2 3.42Å; L10-V14 PolarHBondContact O-N 3.18Å
11S86.8Confident81.6Confident78 Ų78111.4 Ų111.455%0.54562%0.62SS.*Hα-helixtrans-61.5-37.8178.5-58.90000111.8S8 G9 K15S8-S11 PolarHBondContact O-N 3.37Å; G9-S11 VanDerWaalsContact C-N 3.34Å; G9-S11 PolarHBondContact O-N 3.46Å; S11-K15 WeakPolarHBondContact O-CB 3.11Å; S11-K15 PolarHBondContact O-N 2.85Å
12A88.6Confident83.7Confident32 Ų32104.9 Ų104.926%0.26458%0.582SS.*Hα-helixtrans-66-41.9175.600000111.9A7 S8 G9 L10 K15 R16A7-A12 HydrophobicContact CB-CB 4.38Å; A7-A12 VanDerWaalsContact O-CB 3.25Å; A7-A12 WeakPolarHBondContact O-CB 3.35Å; S8-A12 PolarHBondContact O-N 2.94Å; G9-A12 WeakPolarHBondContact O-CB 3.27Å; G9-A12 PolarHBondContact O-N 2.94Å; L10-A12 VanDerWaalsContact C-N 3.27Å; L10-A12 PolarHBondContact O-N 3.25Å; A12-K15 PolarHBondContact O-N 3.2Å; A12-R16 WeakPolarHBondContact O-CB 3.49Å; A12-R16 PolarHBondContact O-N 3.01Å
13Q91.3Very high85.8Confident131 Ų131102.7 Ų102.761%0.61256%0.556SS**Hα-helixtrans-65.4-43.3178.6-66.7175.414.300111.4G9 L10 R16 K17G9-Q13 WeakPolarHBondContact O-CG 3.47Å; G9-Q13 PolarHBondContact O-N 3.38Å; L10-Q13 PolarHBondContact O-N 3.23Å; L10-Q13 VanDerWaalsContact O-N 3.15Å; Q13-R16 PolarHBondContact O-N 3.17Å; Q13-K17 WeakPolarHBondContact O-CB 3.41Å; Q13-K17 PolarHBondContact O-N 3.13Å
14V90.8Very high87.5Confident74 Ų74102.7 Ų102.745%0.44855%0.548SS..Hα-helixtrans-61.8-49.3175.7172.90000110.3L10 R16 K17 L18L10-V14 HydrophobicContact CD1-CG2 4.34Å; L10-V14 HydrophobicContact CG-CG2 4.43Å; L10-V14 WeakPolarHBondContact O-CG2 3.42Å; L10-V14 PolarHBondContact O-N 3.18Å; V14-R16 PolarHBondContact O-N 3.15Å; V14-K17 WeakPolarHBondContact O-CB 3.42Å; V14-K17 PolarHBondContact O-N 3.36Å; V14-K17 VanDerWaalsContact O-N 3.14Å; V14-L18 HydrophobicContact CG1-CD1 4.18Å; V14-L18 HydrophobicContact CG1-CG 4.43Å; V14-L18 WeakPolarHBondContact O-CG 3.47Å; V14-L18 PolarHBondContact O-N 3.43Å
15K89.6Confident89.2Confident110 Ų110101.6 Ų101.648%0.47855%0.547SS..Hα-helixtrans-56.5-48.7177.3-176.8176.9175-179.50111.6A7 S11 A12 K17 L18 E19A7-K15 HydrophobicContact CB-CD 4.38Å; S11-K15 WeakPolarHBondContact O-CB 3.11Å; S11-K15 PolarHBondContact O-N 2.85Å; A12-K15 PolarHBondContact O-N 3.2Å; K15-K17 VanDerWaalsContact C-N 3.3Å; K15-K17 PolarHBondContact O-N 3.06Å; K15-L18 PolarHBondContact O-N 3.2Å; K15-L18 VanDerWaalsContact O-N 3.15Å; K15-E19 WeakPolarHBondContact CE-OE1 3.42Å; K15-E19 HydrophobicContact CG-CG 4.39Å; K15-E19 IonicContact NZ-OE1 3.95Å; K15-E19 WeakPolarHBondContact O-CG 2.95Å; K15-E19 PolarHBondContact O-N 3.02Å
16R92Very high90.7Very high192 Ų19299 Ų9973%0.72553%0.525SS*.Hα-helixtrans-59.1-41177.2-175.9-175.6-65.2-93.80.2112A12 Q13 V14 G20A12-R16 WeakPolarHBondContact O-CB 3.49Å; A12-R16 PolarHBondContact O-N 3.01Å; Q13-R16 PolarHBondContact O-N 3.17Å; V14-R16 PolarHBondContact O-N 3.15Å; R16-G20 PolarHBondContact O-N 2.91Å
17K94.3Very high92Very high158 Ų15891.4 Ų91.469%0.68749%0.486SS*.Hα-helixtrans-65.5-39177.7-172.9174.2-177176.80111.7Q13 V14 K15Q13-K17 WeakPolarHBondContact O-CB 3.41Å; Q13-K17 PolarHBondContact O-N 3.13Å; V14-K17 WeakPolarHBondContact O-CB 3.42Å; V14-K17 PolarHBondContact O-N 3.36Å; V14-K17 VanDerWaalsContact O-N 3.14Å; K15-K17 VanDerWaalsContact C-N 3.3Å; K15-K17 PolarHBondContact O-N 3.06Å
18L92.7Very high93.1Very high32 Ų3293 Ų9317%0.16849%0.485CS..Hα-helixtrans-68.8-45.5175.6-67.1179.4000111.7V14 K15 G20 K21 D115V14-L18 HydrophobicContact CG1-CD1 4.18Å; V14-L18 HydrophobicContact CG1-CG 4.43Å; V14-L18 WeakPolarHBondContact O-CG 3.47Å; V14-L18 PolarHBondContact O-N 3.43Å; K15-L18 PolarHBondContact O-N 3.2Å; K15-L18 VanDerWaalsContact O-N 3.15Å; L18-G20 PolarHBondContact O-N 3.37Å; L18-K21 HydrophobicContact CD2-CD 4.25Å; L18-K21 WeakPolarHBondContact O-CB 3.39Å; L18-K21 PolarHBondContact O-N 3.29Å; L18-D115 HydrophobicContact CD1-CB 4.34Å; L18-D115 WeakPolarHBondContact CD2-OD2 3.4Å
19E91.4Very high93.7Very high106 Ų10691 Ų9150%0.49547%0.471SS..Hα-helixtrans-58.9-37175.3-72.717515400111.7K15 K21 R22K15-E19 WeakPolarHBondContact CE-OE1 3.42Å; K15-E19 HydrophobicContact CG-CG 4.39Å; K15-E19 IonicContact NZ-OE1 3.95Å; K15-E19 WeakPolarHBondContact O-CG 2.95Å; K15-E19 PolarHBondContact O-N 3.02Å; E19-K21 PolarHBondContact O-N 3.17Å; E19-R22 WeakPolarHBondContact O-CB 3.32Å; E19-R22 WeakPolarHBondContact O-CG 3.29Å; E19-R22 PolarHBondContact O-N 3.16Å; E19-R22 VanDerWaalsContact O-N 3.14Å
20G94.9Very high94Very high65 Ų6588.5 Ų88.567%0.6745%0.445SS*.THydrogen-bonded Turntrans-68.1-11.9174.900000115.3R16 L18R16-G20 PolarHBondContact O-N 2.91Å; L18-G20 PolarHBondContact O-N 3.37Å
21K96.6Very high94.4Very high122 Ų12282.6 Ų82.653%0.5341%0.414SS..THydrogen-bonded Turntrans-84.5-10.6172.1-63.2175.8-178.6178.60112.9L18 E19 A117L18-K21 HydrophobicContact CD2-CD 4.25Å; L18-K21 WeakPolarHBondContact O-CB 3.39Å; L18-K21 PolarHBondContact O-N 3.29Å; E19-K21 PolarHBondContact O-N 3.17Å; K21-A117 HydrophobicContact CB-CB 3.76Å
22R97.3Very high95Very high87 Ų8782.3 Ų82.333%0.32841%0.406SS..  trans-68.3136179.9-67.9-174.565.4173.53.5110E19 E27 E49 A117E19-R22 WeakPolarHBondContact O-CB 3.32Å; E19-R22 WeakPolarHBondContact O-CG 3.29Å; E19-R22 PolarHBondContact O-N 3.16Å; E19-R22 VanDerWaalsContact O-N 3.14Å; R22-E27 IonicContact CZ-OE1 3.32Å; R22-E27 VanDerWaalsContact CZ-OE1 3.27Å; R22-E27 IonicContact CZ-OE2 3.1Å; R22-E27 IonicContact NE-OE1 3.53Å; R22-E27 PolarHBondContact NE-OE1 2.76Å; R22-E27 IonicContact NE-OE2 2.89Å; R22-E27 VanDerWaalsContact NH2-CD 3.27Å; R22-E27 IonicContact NH2-OE1 3.27Å; R22-E27 PolarHBondContact NH2-OE1 3.49Å; R22-E27 IonicContact NH2-OE2 2.74Å; R22-E27 PolarHBondContact NH2-OE2 3.41Å; R22-E49 IonicContact CZ-OE2 3.77Å; R22-E49 IonicContact NH1-OE1 3.93Å; R22-E49 IonicContact NH1-OE2 2.83Å; R22-E49 PolarHBondContact NH1-OE2 2.72Å; R22-E49 IonicContact NH2-OE2 2.99Å; R22-E49 PolarHBondContact NH2-OE2 3.42Å; R22-A117 HydrophobicContact CG-CB 4.39Å
23D97.1Very high95.4Very high61 Ų6181 Ų8133%0.32640%0.395SS..  trans-124.8114.5176.7-178.4-22.6000108.1D25 Q26 E27D23-D25 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 2.93Å; D23-D25 PolarHBondContact OD1-N 2.9Å; D23-Q26 HydrophobicContact CB-CB 3.98Å; D23-Q26 HydrophobicContact CB-CG 3.97Å; D23-Q26 PolarHBondContact O-N 3.14Å; D23-Q26 PolarHBondContact OD1-N 3.42Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.45Å; D23-E27 WeakPolarHBondContact O-CG 3.41Å; D23-E27 PolarHBondContact O-N 3.19Å
24K96Very high95.8Very high163 Ų16374.9 Ų74.971%0.70937%0.366SS*.Hα-helixtrans-67.2-32.8-176-69.6-175.2179.9178.90112.2E27 Q28K24-E27 PolarHBondContact O-N 3.45Å; K24-Q28 WeakPolarHBondContact O-CG 3.12Å; K24-Q28 PolarHBondContact O-N 3.13Å
25D96.9Very high96.1Very high126 Ų12672 Ų7267%0.67435%0.348SS*.Hα-helixtrans-72.2-37.5-179.2-63.4-35.6000110.1D23 Q28 S29D23-D25 VanDerWaalsContact C-N 3.3Å; D23-D25 PolarHBondContact O-N 2.93Å; D23-D25 PolarHBondContact OD1-N 2.9Å; D25-Q28 PolarHBondContact O-N 3.17Å; D25-S29 WeakPolarHBondContact O-CB 3.25Å; D25-S29 PolarHBondContact O-N 3.26Å; D25-S29 PolarHBondContact O-OG 3.4Å
26Q97.3Very high96.5Very high57 Ų5772 Ų7227%0.26635%0.352SS..Hα-helixtrans-64.4-42.7170.3-71-173.2500112.3D23 Q28 S29 V30 T120 Y124D23-Q26 HydrophobicContact CB-CB 3.98Å; D23-Q26 HydrophobicContact CB-CG 3.97Å; D23-Q26 PolarHBondContact O-N 3.14Å; D23-Q26 PolarHBondContact OD1-N 3.42Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.45Å; Q26-Q28 VanDerWaalsContact C-N 3.35Å; Q26-Q28 PolarHBondContact O-N 3.24Å; Q26-S29 PolarHBondContact O-N 3.12Å; Q26-V30 WeakPolarHBondContact O-CG2 3.42Å; Q26-V30 PolarHBondContact O-N 3.05Å; Q26-T120 HydrophobicContact CB-CG2 3.95Å; Q26-Y124 WeakPolarHBondContact CA-OH 3.36Å; Q26-Y124 HydrophobicContact CB-CE2 3.8Å; Q26-Y124 HydrophobicContact CG-CE2 4.13Å
27E98Very high96.8Very high8 Ų863.5 Ų63.54%0.03732%0.321CS..Hα-helixtrans-60.9-42.2175.9-74.2175.4-167.400111.8R22 D23 K24 V30 L31 Y48 T120R22-E27 IonicContact CZ-OE1 3.32Å; R22-E27 VanDerWaalsContact CZ-OE1 3.27Å; R22-E27 IonicContact CZ-OE2 3.1Å; R22-E27 IonicContact NE-OE1 3.53Å; R22-E27 PolarHBondContact NE-OE1 2.76Å; R22-E27 IonicContact NE-OE2 2.89Å; R22-E27 VanDerWaalsContact NH2-CD 3.27Å; R22-E27 IonicContact NH2-OE1 3.27Å; R22-E27 PolarHBondContact NH2-OE1 3.49Å; R22-E27 IonicContact NH2-OE2 2.74Å; R22-E27 PolarHBondContact NH2-OE2 3.41Å; D23-E27 WeakPolarHBondContact O-CG 3.41Å; D23-E27 PolarHBondContact O-N 3.19Å; K24-E27 PolarHBondContact O-N 3.45Å; E27-V30 PolarHBondContact O-N 3.43Å; E27-L31 WeakPolarHBondContact O-CG 3.31Å; E27-L31 PolarHBondContact O-N 3.49Å; E27-L31 VanDerWaalsContact O-N 3.16Å; E27-Y48 HydrophobicContact CB-CD1 4.26Å; E27-Y48 HydrophobicContact CB-CD2 3.63Å; E27-Y48 HydrophobicContact CB-CE2 4Å; E27-Y48 HydrophobicContact CB-CG 3.76Å; E27-Y48 HydrophobicContact CG-CD1 3.72Å; E27-Y48 HydrophobicContact CG-CD2 4Å; E27-Y48 HydrophobicContact CG-CE1 3.94Å; E27-Y48 HydrophobicContact CG-CE2 4.2Å; E27-Y48 HydrophobicContact CG-CG 3.76Å; E27-Y48 WeakPolarHBondContact O-CD2 3.47Å; E27-Y48 WeakPolarHBondContact O-CE2 3.45Å; E27-Y48 WeakPolarHBondContact OE2-CB 3.23Å; E27-T120 HydrophobicContact CG-CG2 4.43Å
28Q97.3Very high96.9Very high81 Ų8157.5 Ų57.538%0.37930%0.297SS..Hα-helixtrans-66.2-42.8174.5-68.3-48.3-52.700112.1K24 D25 Q26 V30 L31 D32K24-Q28 WeakPolarHBondContact O-CG 3.12Å; K24-Q28 PolarHBondContact O-N 3.13Å; D25-Q28 PolarHBondContact O-N 3.17Å; Q26-Q28 VanDerWaalsContact C-N 3.35Å; Q26-Q28 PolarHBondContact O-N 3.24Å; Q28-V30 VanDerWaalsContact C-N 3.26Å; Q28-V30 PolarHBondContact O-N 3.01Å; Q28-L31 PolarHBondContact O-N 3.43Å; Q28-L31 VanDerWaalsContact O-N 3.07Å; Q28-D32 PolarHBondContact O-N 3.44Å
29S97.5Very high97.1Very high49 Ų4959.3 Ų59.334%0.34332%0.323SS..Hα-helixtrans-58.9-38.2176.5-60.50000112.1D25 Q26 W33 Y124D25-S29 WeakPolarHBondContact O-CB 3.25Å; D25-S29 PolarHBondContact O-N 3.26Å; D25-S29 PolarHBondContact O-OG 3.4Å; Q26-S29 PolarHBondContact O-N 3.12Å; S29-W33 WeakPolarHBondContact O-CB 3.39Å; S29-W33 PolarHBondContact O-N 2.95Å; S29-Y124 WeakPolarHBondContact CB-OH 3.4Å
30V98.6Very high97.3Very high0 Ų057.8 Ų57.80%032%0.317CS..Hα-helixtrans-62.5-48173.5165.90000111.1Q26 E27 Q28 D32 W33 I34 Y48 T120 I123 Y124 L141Q26-V30 WeakPolarHBondContact O-CG2 3.42Å; Q26-V30 PolarHBondContact O-N 3.05Å; E27-V30 PolarHBondContact O-N 3.43Å; Q28-V30 VanDerWaalsContact C-N 3.26Å; Q28-V30 PolarHBondContact O-N 3.01Å; V30-D32 VanDerWaalsContact C-N 3.35Å; V30-D32 PolarHBondContact O-N 2.96Å; V30-W33 PolarHBondContact O-N 3.18Å; V30-I34 HydrophobicContact CG1-CD1 3.85Å; V30-I34 HydrophobicContact CG1-CG1 4.43Å; V30-I34 VanDerWaalsContact O-CG1 3.28Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 3.28Å; V30-Y48 HydrophobicContact CB-CE2 4.02Å; V30-Y48 HydrophobicContact CG1-CE2 3.83Å; V30-T120 HydrophobicContact CG2-CG2 3.99Å; V30-I123 HydrophobicContact CG1-CB 4.15Å; V30-I123 HydrophobicContact CG1-CD1 3.71Å; V30-I123 HydrophobicContact CG1-CG2 3.71Å; V30-I123 HydrophobicContact CG2-CB 4.28Å; V30-I123 HydrophobicContact CG2-CG2 4.18Å; V30-Y124 HydrophobicContact CG2-CD2 3.88Å; V30-Y124 HydrophobicContact CG2-CE2 3.66Å; V30-L141 HydrophobicContact CG2-CD2 3.98Å
31L98.4Very high97.4Very high2 Ų262.9 Ų62.91%0.0132%0.321CS..Hα-helixtrans-64.9-39.9179.8-66.5-178.5000111.7E27 Q28 W33 I34 E35 V42 R44 Y48 V51 L52E27-L31 WeakPolarHBondContact O-CG 3.31Å; E27-L31 PolarHBondContact O-N 3.49Å; E27-L31 VanDerWaalsContact O-N 3.16Å; Q28-L31 PolarHBondContact O-N 3.43Å; Q28-L31 VanDerWaalsContact O-N 3.07Å; L31-W33 VanDerWaalsContact C-N 3.33Å; L31-W33 PolarHBondContact O-N 2.67Å; L31-I34 PolarHBondContact O-N 3.15Å; L31-E35 WeakPolarHBondContact O-CG 3.4Å; L31-E35 PolarHBondContact O-N 2.82Å; L31-V42 HydrophobicContact CB-CG2 4.27Å; L31-V42 HydrophobicContact CD2-CG2 4.37Å; L31-R44 VanDerWaalsContact CB-CZ 3.44Å; L31-Y48 HydrophobicContact CD1-CD2 4.03Å; L31-Y48 HydrophobicContact CD2-CD2 3.91Å; L31-Y48 HydrophobicContact CD2-CE2 4.06Å; L31-Y48 HydrophobicContact CG-CD2 3.76Å; L31-Y48 HydrophobicContact CG-CE2 4.09Å; L31-V51 HydrophobicContact CD2-CB 4.46Å; L31-V51 HydrophobicContact CD2-CG1 4Å; L31-L52 HydrophobicContact CD2-CD2 4.21Å; L31-L52 HydrophobicContact CD2-CG 4.45Å
32D97.7Very high97.3Very high72 Ų7257.8 Ų57.839%0.38530%0.3SS..Hα-helixtrans-59.4-45.9174.5-65.3-11000110.8Q28 V30 I34 E35 I36 R44Q28-D32 PolarHBondContact O-N 3.44Å; V30-D32 VanDerWaalsContact C-N 3.35Å; V30-D32 PolarHBondContact O-N 2.96Å; D32-I34 PolarHBondContact O-N 3.43Å; D32-E35 PolarHBondContact O-N 3.2Å; D32-I36 VanDerWaalsContact O-CG1 3.26Å; D32-I36 WeakPolarHBondContact O-CG1 3.29Å; D32-I36 PolarHBondContact O-N 2.86Å; D32-R44 IonicContact OD1-CZ 3.16Å; D32-R44 IonicContact OD1-NH1 2.72Å; D32-R44 PolarHBondContact OD1-NH1 2.97Å; D32-R44 IonicContact OD1-NH2 3.69Å; D32-R44 PolarHBondContact OD1-NH2 3.24Å
33W98Very high97.2Very high6 Ų657.1 Ų57.12%0.02330%0.303CS..Hα-helixtrans-61.7-43.6176.3-178.978.8000112.1S29 V30 L31 E35 I36 V37 V61 L65 I123 L126 P139 L141S29-W33 WeakPolarHBondContact O-CB 3.39Å; S29-W33 PolarHBondContact O-N 2.95Å; V30-W33 PolarHBondContact O-N 3.18Å; L31-W33 VanDerWaalsContact C-N 3.33Å; L31-W33 PolarHBondContact O-N 2.67Å; W33-E35 PolarHBondContact O-N 3.08Å; W33-I36 PolarHBondContact O-N 3.14Å; W33-V37 HydrophobicContact CD2-CG2 3.99Å; W33-V37 HydrophobicContact CG-CG2 4.41Å; W33-V37 HydrophobicContact CH2-CG2 4.44Å; W33-V37 HydrophobicContact CZ2-CG2 3.89Å; W33-V37 WeakPolarHBondContact O-CB 3.47Å; W33-V37 VanDerWaalsContact O-CG2 3.28Å; W33-V37 WeakPolarHBondContact O-CG2 3.34Å; W33-V37 PolarHBondContact O-N 3.47Å; W33-V61 HydrophobicContact CH2-CG1 3.84Å; W33-V61 HydrophobicContact CZ3-CG1 3.74Å; W33-L65 HydrophobicContact CH2-CD1 4Å; W33-L65 HydrophobicContact CZ2-CD1 4.41Å; W33-I123 HydrophobicContact CE3-CG2 4.01Å; W33-I123 HydrophobicContact CZ3-CG2 3.81Å; W33-L126 HydrophobicContact CH2-CD2 4.05Å; W33-L126 HydrophobicContact CH2-CG 4.15Å; W33-L126 HydrophobicContact CZ3-CD2 4.42Å; W33-P139 PolarHBondContact NE1-O 2.89Å; W33-L141 HydrophobicContact CB-CB 4.23Å; W33-L141 HydrophobicContact CB-CD1 4.18Å; W33-L141 HydrophobicContact CB-CD2 4.33Å; W33-L141 HydrophobicContact CB-CG 4.48Å; W33-L141 HydrophobicContact CD2-CB 4Å; W33-L141 HydrophobicContact CD2-CD2 4.02Å; W33-L141 HydrophobicContact CE3-CD2 4Å; W33-L141 HydrophobicContact CG-CB 3.71Å; W33-L141 HydrophobicContact CG-CD2 4.18Å; W33-L141 HydrophobicContact CG-CG 4.36Å
34I98.4Very high97Very high1 Ų158.2 Ų58.21%0.00530%0.302CS..Hα-helixtrans-60.8-45175.9-69.5173.1000111.1V30 L31 D32 I36 V37 L38 V42 L52 V61V30-I34 HydrophobicContact CG1-CD1 3.85Å; V30-I34 HydrophobicContact CG1-CG1 4.43Å; V30-I34 VanDerWaalsContact O-CG1 3.28Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 3.28Å; L31-I34 PolarHBondContact O-N 3.15Å; D32-I34 PolarHBondContact O-N 3.43Å; I34-I36 VanDerWaalsContact C-N 3.33Å; I34-I36 PolarHBondContact O-N 2.67Å; I34-V37 PolarHBondContact O-N 2.99Å; I34-L38 HydrophobicContact CG2-CD1 3.93Å; I34-L38 HydrophobicContact CG2-CG 4.46Å; I34-L38 WeakPolarHBondContact O-CB 3.5Å; I34-L38 WeakPolarHBondContact O-CG 3.1Å; I34-L38 PolarHBondContact O-N 3.17Å; I34-V42 HydrophobicContact CG2-CG1 4.48Å; I34-L52 HydrophobicContact CD1-CD2 3.68Å; I34-V61 HydrophobicContact CB-CG2 4.32Å; I34-V61 HydrophobicContact CG1-CG2 3.98Å; I34-V61 HydrophobicContact CG2-CG2 3.86Å
35E98.2Very high97Very high15 Ų1555.3 Ų55.37%0.0730%0.303CS..Hα-helixtrans-59-43.7177.2-76.5-170.2167.600111.9L31 D32 W33 G39 I40 K41 V42 R44L31-E35 WeakPolarHBondContact O-CG 3.4Å; L31-E35 PolarHBondContact O-N 2.82Å; D32-E35 PolarHBondContact O-N 3.2Å; W33-E35 PolarHBondContact O-N 3.08Å; E35-G39 VanDerWaalsContact O-CA 3.28Å; E35-G39 WeakPolarHBondContact O-CA 3.42Å; E35-G39 PolarHBondContact O-N 3.23Å; E35-I40 WeakPolarHBondContact CA-O 3.46Å; E35-I40 WeakPolarHBondContact CB-O 3.46Å; E35-I40 VanDerWaalsContact CG-O 3.23Å; E35-I40 WeakPolarHBondContact CG-O 3.2Å; E35-I40 PolarHBondContact O-N 3.31Å; E35-I40 VanDerWaalsContact O-N 3.16Å; E35-K41 WeakPolarHBondContact OE2-CD 3.48Å; E35-K41 IonicContact OE2-NZ 2.89Å; E35-K41 PolarHBondContact OE2-NZ 2.78Å; E35-V42 HydrophobicContact CG-CB 4.41Å; E35-V42 HydrophobicContact CG-CG1 4.04Å; E35-V42 HydrophobicContact CG-CG2 3.96Å; E35-V42 WeakPolarHBondContact OE1-CG2 3.32Å; E35-V42 PolarHBondContact OE1-N 3.34Å; E35-R44 IonicContact OE1-CZ 3.76Å; E35-R44 IonicContact OE1-NE 3.18Å; E35-R44 PolarHBondContact OE1-NE 2.85Å; E35-R44 IonicContact OE1-NH2 2.87Å; E35-R44 PolarHBondContact OE1-NH2 3.45Å; E35-R44 IonicContact OE2-NH2 2.82Å; E35-R44 PolarHBondContact OE2-NH2 2.96Å
36I97.9Very high96.9Very high110 Ų11054.7 Ų54.756%0.56429%0.294SS*.Hα-helixtrans-70.2-44.3180-60.9162.5000110.9D32 W33 I34 L38 G39 P139D32-I36 VanDerWaalsContact O-CG1 3.26Å; D32-I36 WeakPolarHBondContact O-CG1 3.29Å; D32-I36 PolarHBondContact O-N 2.86Å; W33-I36 PolarHBondContact O-N 3.14Å; I34-I36 VanDerWaalsContact C-N 3.33Å; I34-I36 PolarHBondContact O-N 2.67Å; I36-L38 VanDerWaalsContact C-N 3.33Å; I36-L38 PolarHBondContact O-N 3.17Å; I36-G39 PolarHBondContact O-N 3.44Å; I36-P139 HydrophobicContact CB-CB 4.3Å; I36-P139 HydrophobicContact CB-CG 4.02Å; I36-P139 HydrophobicContact CG2-CB 3.81Å; I36-P139 HydrophobicContact CG2-CG 3.62Å
37V97.4Very high96.8Very high13 Ų1355.3 Ų55.38%0.07930%0.303CS..Hα-helixtrans-60-45.2178.8169.60000110.8W33 I34 V61 K64 L65 P139W33-V37 HydrophobicContact CD2-CG2 3.99Å; W33-V37 HydrophobicContact CG-CG2 4.41Å; W33-V37 HydrophobicContact CH2-CG2 4.44Å; W33-V37 HydrophobicContact CZ2-CG2 3.89Å; W33-V37 WeakPolarHBondContact O-CB 3.47Å; W33-V37 VanDerWaalsContact O-CG2 3.28Å; W33-V37 WeakPolarHBondContact O-CG2 3.34Å; W33-V37 PolarHBondContact O-N 3.47Å; I34-V37 PolarHBondContact O-N 2.99Å; V37-V61 HydrophobicContact CG1-CG1 4.37Å; V37-K64 HydrophobicContact CG1-CB 4.12Å; V37-K64 HydrophobicContact CG1-CG 3.81Å; V37-K64 WeakPolarHBondContact O-CE 3.3Å; V37-K64 WeakPolarHBondContact O-CG 3.28Å; V37-L65 HydrophobicContact CG1-CD2 4.24Å; V37-L65 HydrophobicContact CG1-CG 4.46Å; V37-P139 HydrophobicContact CG2-CG 3.62Å
38L97.3Very high96.8Very high32 Ų3255.3 Ų55.317%0.16830%0.303CS..Hα-helixtrans-85.4-19.7-176.7-66.4-175.2000114I34 I36 I40 L57 K60 V61 K64I34-L38 HydrophobicContact CG2-CD1 3.93Å; I34-L38 HydrophobicContact CG2-CG 4.46Å; I34-L38 WeakPolarHBondContact O-CB 3.5Å; I34-L38 WeakPolarHBondContact O-CG 3.1Å; I34-L38 PolarHBondContact O-N 3.17Å; I36-L38 VanDerWaalsContact C-N 3.33Å; I36-L38 PolarHBondContact O-N 3.17Å; L38-I40 VanDerWaalsContact C-N 3.34Å; L38-I40 HydrophobicContact CB-CD1 4.06Å; L38-I40 HydrophobicContact CB-CG1 3.81Å; L38-I40 HydrophobicContact CB-CG2 4.37Å; L38-I40 HydrophobicContact CD1-CD1 3.74Å; L38-I40 HydrophobicContact CD1-CG1 4.31Å; L38-L57 HydrophobicContact CD1-CD2 3.93Å; L38-K60 HydrophobicContact CD1-CB 4.07Å; L38-K60 HydrophobicContact CD2-CB 3.93Å; L38-V61 HydrophobicContact CD1-CG2 3.98Å; L38-V61 HydrophobicContact CD2-CG2 4.23Å; L38-V61 HydrophobicContact CG-CG2 3.98Å; L38-K64 HydrophobicContact CD2-CB 4.01Å; L38-K64 HydrophobicContact CD2-CG 4.4Å
39G96.3Very high96.7Very high69 Ų6952.5 Ų52.571%0.71129%0.289SS*.THydrogen-bonded Turntrans68.432.4-17300000112.9E35 I36E35-G39 VanDerWaalsContact O-CA 3.28Å; E35-G39 WeakPolarHBondContact O-CA 3.42Å; E35-G39 PolarHBondContact O-N 3.23Å; I36-G39 PolarHBondContact O-N 3.44Å
40I96.4Very high96.7Very high74 Ų7453.3 Ų53.338%0.37929%0.288SS..  trans-126.8168.4-178.970.4178.6000110.8E35 L38 L57E35-I40 WeakPolarHBondContact CA-O 3.46Å; E35-I40 WeakPolarHBondContact CB-O 3.46Å; E35-I40 VanDerWaalsContact CG-O 3.23Å; E35-I40 WeakPolarHBondContact CG-O 3.2Å; E35-I40 PolarHBondContact O-N 3.31Å; E35-I40 VanDerWaalsContact O-N 3.16Å; L38-I40 VanDerWaalsContact C-N 3.34Å; L38-I40 HydrophobicContact CB-CD1 4.06Å; L38-I40 HydrophobicContact CB-CG1 3.81Å; L38-I40 HydrophobicContact CB-CG2 4.37Å; L38-I40 HydrophobicContact CD1-CD1 3.74Å; L38-I40 HydrophobicContact CD1-CG1 4.31Å; I40-L57 HydrophobicContact CD1-CD2 3.72Å
41K96.1Very high96.6Very high173 Ų17354.1 Ų54.175%0.75229%0.293SS*.  trans-105.6129.6167.5-69.4-62.5-178.9-1780110.4E35E35-K41 WeakPolarHBondContact OE2-CD 3.48Å; E35-K41 IonicContact OE2-NZ 2.89Å; E35-K41 PolarHBondContact OE2-NZ 2.78Å
42V95.4Very high96.6Very high15 Ų1554 Ų549%0.09129%0.292CS..  trans-90.3154.5175.1-58.40000109.7L31 I34 E35 R44 V51 L57L31-V42 HydrophobicContact CB-CG2 4.27Å; L31-V42 HydrophobicContact CD2-CG2 4.37Å; I34-V42 HydrophobicContact CG2-CG1 4.48Å; E35-V42 HydrophobicContact CG-CB 4.41Å; E35-V42 HydrophobicContact CG-CG1 4.04Å; E35-V42 HydrophobicContact CG-CG2 3.96Å; E35-V42 WeakPolarHBondContact OE1-CG2 3.32Å; E35-V42 PolarHBondContact OE1-N 3.34Å; V42-R44 PolarHBondContact O-N 3.06Å; V42-V51 HydrophobicContact CB-CG1 4.01Å; V42-V51 HydrophobicContact CG1-CG1 4.45Å; V42-V51 HydrophobicContact CG2-CG1 4.32Å; V42-L57 HydrophobicContact CG1-CD1 3.82Å; V42-L57 HydrophobicContact CG1-CD2 4.45Å
43D94.5Very high96.6Very high73 Ų7353.3 Ų53.339%0.3929%0.286SS..  trans-74.492.7178.8-179.26.7000111S45 K46 V51D43-S45 PolarHBondContact O-N 3.28Å; D43-S45 VanDerWaalsContact OD1-CB 3.28Å; D43-S45 WeakPolarHBondContact OD1-CB 3.3Å; D43-S45 PolarHBondContact OD1-N 3Å; D43-S45 VanDerWaalsContact OD1-N 3.07Å; D43-S45 PolarHBondContact OD1-OG 3.35Å; D43-S45 PolarHBondContact OD2-OG 3.42Å; D43-K46 HydrophobicContact CB-CD 4.48Å; D43-K46 PolarHBondContact O-N 3.28Å; D43-K46 WeakPolarHBondContact OD2-CD 3.39Å; D43-K46 WeakPolarHBondContact OD2-CE 3.28Å; D43-K46 IonicContact OD2-NZ 2.65Å; D43-K46 PolarHBondContact OD2-NZ 2.9Å; D43-V51 WeakPolarHBondContact O-CG2 3.33Å
44R93.7Very high96.5Very high83 Ų8355.5 Ų55.531%0.31330%0.298SS..THydrogen-bonded Turntrans-69.8-6.6178.9-57.5-67179.1137.63.8113.8L31 D32 E35 V42L31-R44 VanDerWaalsContact CB-CZ 3.44Å; D32-R44 IonicContact OD1-CZ 3.16Å; D32-R44 IonicContact OD1-NH1 2.72Å; D32-R44 PolarHBondContact OD1-NH1 2.97Å; D32-R44 IonicContact OD1-NH2 3.69Å; D32-R44 PolarHBondContact OD1-NH2 3.24Å; E35-R44 IonicContact OE1-CZ 3.76Å; E35-R44 IonicContact OE1-NE 3.18Å; E35-R44 PolarHBondContact OE1-NE 2.85Å; E35-R44 IonicContact OE1-NH2 2.87Å; E35-R44 PolarHBondContact OE1-NH2 3.45Å; E35-R44 IonicContact OE2-NH2 2.82Å; E35-R44 PolarHBondContact OE2-NH2 2.96Å; V42-R44 PolarHBondContact O-N 3.06Å
45S95.3Very high96.5Very high102 Ų10255.5 Ų55.571%0.71330%0.298SS*.THydrogen-bonded Turntrans-73.3-21.1174.675.90000112.3D43D43-S45 PolarHBondContact O-N 3.28Å; D43-S45 VanDerWaalsContact OD1-CB 3.28Å; D43-S45 WeakPolarHBondContact OD1-CB 3.3Å; D43-S45 PolarHBondContact OD1-N 3Å; D43-S45 VanDerWaalsContact OD1-N 3.07Å; D43-S45 PolarHBondContact OD1-OG 3.35Å; D43-S45 PolarHBondContact OD2-OG 3.42Å
46K95Very high96.4Very high114 Ų11455 Ų5550%0.49630%0.296SS..SBendtrans-90.2149.2179.2-68.3174.6-176.8164.10111.2D43 E50 V51D43-K46 HydrophobicContact CB-CD 4.48Å; D43-K46 PolarHBondContact O-N 3.28Å; D43-K46 WeakPolarHBondContact OD2-CD 3.39Å; D43-K46 WeakPolarHBondContact OD2-CE 3.28Å; D43-K46 IonicContact OD2-NZ 2.65Å; D43-K46 PolarHBondContact OD2-NZ 2.9Å; K46-E50 HydrophobicContact CB-CB 4.46Å; K46-V51 HydrophobicContact CB-CG2 3.79Å
47P95.8Very high96.5Very high70 Ų7051 Ų5146%0.45528%0.275SS..  trans-55.6144.7169.6-23.833.7000111.6E49 E50 V51P47-E49 PolarHBondContact O-N 3.48Å; P47-E49 VanDerWaalsContact O-N 3.13Å; P47-E50 HydrophobicContact CB-CG 4.46Å; P47-E50 HydrophobicContact CG-CG 4.46Å; P47-E50 PolarHBondContact O-N 3.13Å; P47-V51 PolarHBondContact O-N 2.92Å; P47-V51 VanDerWaalsContact O-N 3.13Å
48Y97.6Very high96.5Very high7 Ų750.4 Ų50.43%0.02727%0.272CS..Hα-helixtrans-43.5-49.8179.8170.1-99.6000112.9E27 V30 L31 E50 V51 L52 I116 T120E27-Y48 HydrophobicContact CB-CD1 4.26Å; E27-Y48 HydrophobicContact CB-CD2 3.63Å; E27-Y48 HydrophobicContact CB-CE2 4Å; E27-Y48 HydrophobicContact CB-CG 3.76Å; E27-Y48 HydrophobicContact CG-CD1 3.72Å; E27-Y48 HydrophobicContact CG-CD2 4Å; E27-Y48 HydrophobicContact CG-CE1 3.94Å; E27-Y48 HydrophobicContact CG-CE2 4.2Å; E27-Y48 HydrophobicContact CG-CG 3.76Å; E27-Y48 WeakPolarHBondContact O-CD2 3.47Å; E27-Y48 WeakPolarHBondContact O-CE2 3.45Å; E27-Y48 WeakPolarHBondContact OE2-CB 3.23Å; V30-Y48 HydrophobicContact CB-CE2 4.02Å; V30-Y48 HydrophobicContact CG1-CE2 3.83Å; L31-Y48 HydrophobicContact CD1-CD2 4.03Å; L31-Y48 HydrophobicContact CD2-CD2 3.91Å; L31-Y48 HydrophobicContact CD2-CE2 4.06Å; L31-Y48 HydrophobicContact CG-CD2 3.76Å; L31-Y48 HydrophobicContact CG-CE2 4.09Å; Y48-E50 VanDerWaalsContact C-N 3.31Å; Y48-E50 PolarHBondContact O-N 2.92Å; Y48-V51 PolarHBondContact O-N 3.11Å; Y48-L52 HydrophobicContact CD2-CD1 4.34Å; Y48-L52 HydrophobicContact CE1-CD1 3.9Å; Y48-L52 HydrophobicContact CE2-CD1 3.62Å; Y48-L52 PolarHBondContact O-N 3.36Å; Y48-L52 WeakPolarHBondContact OH-CD1 3.39Å; Y48-I116 HydrophobicContact CD1-CG2 3.63Å; Y48-I116 HydrophobicContact CE1-CG2 3.73Å; Y48-T120 WeakPolarHBondContact CE1-OG1 3.49Å; Y48-T120 PolarHBondContact OH-OG1 3.03Å
49E96Very high96.6Very high22 Ų2248.9 Ų48.910%0.10326%0.264CS..Hα-helixtrans-69.2-26.7-17768.4-86.8-168.800113.8R22 P47 K53 K113 I116R22-E49 IonicContact CZ-OE2 3.77Å; R22-E49 IonicContact NH1-OE1 3.93Å; R22-E49 IonicContact NH1-OE2 2.83Å; R22-E49 PolarHBondContact NH1-OE2 2.72Å; R22-E49 IonicContact NH2-OE2 2.99Å; R22-E49 PolarHBondContact NH2-OE2 3.42Å; P47-E49 PolarHBondContact O-N 3.48Å; P47-E49 VanDerWaalsContact O-N 3.13Å; E49-K53 WeakPolarHBondContact O-CA 3.37Å; E49-K53 VanDerWaalsContact O-CB 3.28Å; E49-K53 WeakPolarHBondContact O-CB 3.36Å; E49-K53 PolarHBondContact O-N 2.99Å; E49-K53 VanDerWaalsContact O-N 3.08Å; E49-K113 HydrophobicContact CG-CD 3.73Å; E49-K113 VanDerWaalsContact CG-CE 3.42Å; E49-K113 HydrophobicContact CG-CG 4.07Å; E49-K113 IonicContact OE1-NZ 2.83Å; E49-K113 PolarHBondContact OE1-NZ 3.07Å; E49-I116 HydrophobicContact CB-CD1 3.43Å; E49-I116 VanDerWaalsContact CB-CD1 3.43Å; E49-I116 HydrophobicContact CB-CG1 3.91Å; E49-I116 HydrophobicContact CB-CG2 4.22Å; E49-I116 HydrophobicContact CG-CD1 4.24Å; E49-I116 HydrophobicContact CG-CG1 4.42Å
50E96.4Very high96.7Very high67 Ų6749.1 Ų49.131%0.31325%0.245SC..Hα-helixtrans-78.1-29.6176.1-69.8-64144.700111.7K46 P47 Y48 L52 K53 K113K46-E50 HydrophobicContact CB-CB 4.46Å; P47-E50 HydrophobicContact CB-CG 4.46Å; P47-E50 HydrophobicContact CG-CG 4.46Å; P47-E50 PolarHBondContact O-N 3.13Å; Y48-E50 VanDerWaalsContact C-N 3.31Å; Y48-E50 PolarHBondContact O-N 2.92Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-K53 IonicContact OE1-NZ 3.25Å; E50-K53 PolarHBondContact OE1-NZ 3.46Å; E50-K53 WeakPolarHBondContact OE2-CD 3.35Å; E50-K53 IonicContact OE2-NZ 3Å; E50-K53 PolarHBondContact OE2-NZ 3.06Å; E50-K53 VanDerWaalsContact OE2-NZ 3.1Å; E50-K113 WeakPolarHBondContact OE1-CE 3.49Å; E50-K113 IonicContact OE1-NZ 3.22Å; E50-K113 PolarHBondContact OE1-NZ 3.16Å
51V97.6Very high96.8Very high16 Ų1645.7 Ų45.710%0.09723%0.228CC..Hα-helixtrans-64.4-38.7173.7176.80000111L31 V42 D43 K46 P47 Y48 L57L31-V51 HydrophobicContact CD2-CB 4.46Å; L31-V51 HydrophobicContact CD2-CG1 4Å; V42-V51 HydrophobicContact CB-CG1 4.01Å; V42-V51 HydrophobicContact CG1-CG1 4.45Å; V42-V51 HydrophobicContact CG2-CG1 4.32Å; D43-V51 WeakPolarHBondContact O-CG2 3.33Å; K46-V51 HydrophobicContact CB-CG2 3.79Å; P47-V51 PolarHBondContact O-N 2.92Å; P47-V51 VanDerWaalsContact O-N 3.13Å; Y48-V51 PolarHBondContact O-N 3.11Å; V51-L57 HydrophobicContact CG1-CD1 3.71Å
52L97.9Very high96.9Very high0 Ų037.5 Ų37.50%019%0.192CC..Hα-helixtrans-92.3-12.7-177.3-58.9-177.9000114L31 I34 Y48 E50 D54 G55 L57 L58 L110 I123L31-L52 HydrophobicContact CD2-CD2 4.21Å; L31-L52 HydrophobicContact CD2-CG 4.45Å; I34-L52 HydrophobicContact CD1-CD2 3.68Å; Y48-L52 HydrophobicContact CD2-CD1 4.34Å; Y48-L52 HydrophobicContact CE1-CD1 3.9Å; Y48-L52 HydrophobicContact CE2-CD1 3.62Å; Y48-L52 PolarHBondContact O-N 3.36Å; Y48-L52 WeakPolarHBondContact OH-CD1 3.39Å; E50-L52 VanDerWaalsContact C-N 3.32Å; L52-D54 VanDerWaalsContact C-N 3.32Å; L52-D54 PolarHBondContact O-N 2.91Å; L52-G55 PolarHBondContact O-N 3.39Å; L52-L57 HydrophobicContact CD2-CB 4.41Å; L52-L57 HydrophobicContact CD2-CD1 4.31Å; L52-L58 HydrophobicContact CD1-CD2 4.5Å; L52-L58 HydrophobicContact CD2-CD2 4.18Å; L52-L110 HydrophobicContact CB-CD1 4.18Å; L52-L110 HydrophobicContact CB-CD2 4.45Å; L52-I123 HydrophobicContact CD1-CD1 3.83Å
53K96.7Very high97Very high57 Ų5738.6 Ų38.625%0.24820%0.198CC..THydrogen-bonded Turntrans-54.8-40.3-164.9-168.4172.4-177.3176.40114.9E49 E50 G55 I83E49-K53 WeakPolarHBondContact O-CA 3.37Å; E49-K53 VanDerWaalsContact O-CB 3.28Å; E49-K53 WeakPolarHBondContact O-CB 3.36Å; E49-K53 PolarHBondContact O-N 2.99Å; E49-K53 VanDerWaalsContact O-N 3.08Å; E50-K53 IonicContact OE1-NZ 3.25Å; E50-K53 PolarHBondContact OE1-NZ 3.46Å; E50-K53 WeakPolarHBondContact OE2-CD 3.35Å; E50-K53 IonicContact OE2-NZ 3Å; E50-K53 PolarHBondContact OE2-NZ 3.06Å; E50-K53 VanDerWaalsContact OE2-NZ 3.1Å; K53-G55 PolarHBondContact O-N 3.37Å; K53-I83 WeakPolarHBondContact O-CG2 3.27Å
54D96.2Very high97.1Very high53 Ų5341.5 Ų41.528%0.28321%0.207SC..THydrogen-bonded Turntrans-74.3-7.9-175.768.69.2000113.6L52 V56 N86L52-D54 VanDerWaalsContact C-N 3.32Å; L52-D54 PolarHBondContact O-N 2.91Å; D54-V56 HydrophobicContact CB-CG2 4.28Å; D54-V56 PolarHBondContact O-N 3.36Å; D54-V56 VanDerWaalsContact O-N 3.16Å; D54-V56 WeakPolarHBondContact OD1-CB 3.35Å; D54-V56 PolarHBondContact OD1-N 3.07Å; D54-N86 WeakPolarHBondContact O-CB 3.28Å; D54-N86 PolarHBondContact O-ND2 2.89Å
55G97.8Very high97.2Very high0 Ų038.9 Ų38.90%020%0.199CC..SBendtrans70.2-1.9-178.500000114.7L52 K53 L58 C59L52-G55 PolarHBondContact O-N 3.39Å; K53-G55 PolarHBondContact O-N 3.37Å; G55-L58 PolarHBondContact O-N 3.19Å; G55-C59 PolarHBondContact O-N 3.37Å; G55-C59 PolarHBondContact O-SG 3.31Å
56V98.1Very high97.2Very high6 Ų638.4 Ų38.44%0.03618%0.184CC..Hα-helixtrans-68.9-47.4-174.8173.80000110.5D54 L58 C59 K60 I73 N74 N86D54-V56 HydrophobicContact CB-CG2 4.28Å; D54-V56 PolarHBondContact O-N 3.36Å; D54-V56 VanDerWaalsContact O-N 3.16Å; D54-V56 WeakPolarHBondContact OD1-CB 3.35Å; D54-V56 PolarHBondContact OD1-N 3.07Å; V56-L58 VanDerWaalsContact C-N 3.3Å; V56-L58 PolarHBondContact O-N 2.92Å; V56-C59 PolarHBondContact O-N 3.42Å; V56-K60 HydrophobicContact CG1-CD 3.97Å; V56-K60 WeakPolarHBondContact O-CG 3.43Å; V56-K60 PolarHBondContact O-N 3.12Å; V56-I73 HydrophobicContact CB-CG2 4.34Å; V56-I73 HydrophobicContact CG1-CG2 4.07Å; V56-I73 HydrophobicContact CG2-CG2 4.13Å; V56-N74 WeakPolarHBondContact CG2-O 3.42Å; V56-N86 WeakPolarHBondContact CG2-ND2 3.42Å
57L98Very high97.2Very high24 Ų2438.4 Ų38.413%0.12620%0.196CC..Hα-helixtrans-59.4-42.7176.8-74.4179000111.5L38 I40 V42 V51 L52 K60 V61L38-L57 HydrophobicContact CD1-CD2 3.93Å; I40-L57 HydrophobicContact CD1-CD2 3.72Å; V42-L57 HydrophobicContact CG1-CD1 3.82Å; V42-L57 HydrophobicContact CG1-CD2 4.45Å; V51-L57 HydrophobicContact CG1-CD1 3.71Å; L52-L57 HydrophobicContact CD2-CB 4.41Å; L52-L57 HydrophobicContact CD2-CD1 4.31Å; L57-K60 PolarHBondContact O-N 2.87Å; L57-V61 VanDerWaalsContact O-CG2 3.27Å; L57-V61 WeakPolarHBondContact O-CG2 3.49Å; L57-V61 PolarHBondContact O-N 3.23Å
58L98.7Very high97.2Very high2 Ų237.8 Ų37.81%0.0120%0.202CC..Hα-helixtrans-61.9-46.6178.5-60.2179.7000111.5L52 G55 V56 K60 V61 I62 F90 F105 L110 I123L52-L58 HydrophobicContact CD1-CD2 4.5Å; L52-L58 HydrophobicContact CD2-CD2 4.18Å; G55-L58 PolarHBondContact O-N 3.19Å; V56-L58 VanDerWaalsContact C-N 3.3Å; V56-L58 PolarHBondContact O-N 2.92Å; L58-K60 VanDerWaalsContact C-N 3.33Å; L58-K60 PolarHBondContact O-N 3.14Å; L58-V61 PolarHBondContact O-N 2.87Å; L58-I62 PolarHBondContact O-N 2.93Å; L58-I62 VanDerWaalsContact O-N 3.11Å; L58-F90 VanDerWaalsContact C-CD2 3.46Å; L58-F90 HydrophobicContact CB-CB 4.13Å; L58-F90 HydrophobicContact CB-CD1 3.98Å; L58-F90 HydrophobicContact CB-CD2 3.62Å; L58-F90 HydrophobicContact CB-CE1 4.28Å; L58-F90 HydrophobicContact CB-CE2 3.91Å; L58-F90 HydrophobicContact CB-CG 3.62Å; L58-F90 HydrophobicContact CB-CZ 4.23Å; L58-F90 HydrophobicContact CD1-CD1 4.03Å; L58-F90 HydrophobicContact CD1-CE1 4.2Å; L58-F90 HydrophobicContact CD1-CG 4.47Å; L58-F90 HydrophobicContact CD2-CE1 4.46Å; L58-F90 HydrophobicContact CD2-CZ 4.27Å; L58-F90 WeakPolarHBondContact O-CD2 3.34Å; L58-F90 WeakPolarHBondContact O-CE2 3.45Å; L58-F105 HydrophobicContact CD1-CZ 4.14Å; L58-L110 HydrophobicContact CD1-CD2 3.71Å; L58-I123 HydrophobicContact CD2-CD1 3.82Å; L58-I123 HydrophobicContact CD2-CG1 4.32Å
59C98.7Very high97.2Very high0 Ų039.1 Ų39.10%021%0.213CC..Hα-helixtrans-61.4-40.9175.4-67.90000112.4G55 V56 I62 N63 V70 I73 N86G55-C59 PolarHBondContact O-N 3.37Å; G55-C59 PolarHBondContact O-SG 3.31Å; V56-C59 PolarHBondContact O-N 3.42Å; C59-I62 VanDerWaalsContact O-CG2 3.3Å; C59-I62 WeakPolarHBondContact O-CG2 3.46Å; C59-N63 WeakPolarHBondContact O-CB 3.41Å; C59-N63 PolarHBondContact O-N 2.9Å; C59-V70 HydrophobicContact CB-CB 4.45Å; C59-V70 HydrophobicContact CB-CG1 4.21Å; C59-V70 HydrophobicContact CB-CG2 4.37Å; C59-I73 HydrophobicContact CB-CD1 3.53Å; C59-I73 HydrophobicContact CB-CG1 3.71Å; C59-I73 HydrophobicContact CB-CG2 4.12Å; C59-N86 PolarHBondContact SG-O 3.26Å
60K98.5Very high97.3Very high73 Ų7338.5 Ų38.532%0.31721%0.21SC..Hα-helixtrans-63.9-41.5176.7-74.4175.4-179.4167.90111.3L38 V56 L57 L58 N63 K64 I73 E75L38-K60 HydrophobicContact CD1-CB 4.07Å; L38-K60 HydrophobicContact CD2-CB 3.93Å; V56-K60 HydrophobicContact CG1-CD 3.97Å; V56-K60 WeakPolarHBondContact O-CG 3.43Å; V56-K60 PolarHBondContact O-N 3.12Å; L57-K60 PolarHBondContact O-N 2.87Å; L58-K60 VanDerWaalsContact C-N 3.33Å; L58-K60 PolarHBondContact O-N 3.14Å; K60-N63 PolarHBondContact O-N 3.4Å; K60-K64 WeakPolarHBondContact O-CB 3.49Å; K60-K64 PolarHBondContact O-N 3.34Å; K60-I73 HydrophobicContact CG-CD1 4.11Å; K60-E75 WeakPolarHBondContact CE-OE1 3.3Å; K60-E75 IonicContact NZ-OE1 3.23Å; K60-E75 PolarHBondContact NZ-OE1 3.28Å; K60-E75 VanDerWaalsContact NZ-OE1 3.16Å; K60-E75 IonicContact NZ-OE2 3.87Å; K60-E75 PolarHBondContact NZ-OE2 3.39Å
61V98.4Very high97.3Very high3 Ų345.1 Ų45.12%0.01824%0.238CC..Hα-helixtrans-58.9-53.31771670000110.4W33 I34 V37 L38 L57 L58 N63 K64 L65 L126W33-V61 HydrophobicContact CH2-CG1 3.84Å; W33-V61 HydrophobicContact CZ3-CG1 3.74Å; I34-V61 HydrophobicContact CB-CG2 4.32Å; I34-V61 HydrophobicContact CG1-CG2 3.98Å; I34-V61 HydrophobicContact CG2-CG2 3.86Å; V37-V61 HydrophobicContact CG1-CG1 4.37Å; L38-V61 HydrophobicContact CD1-CG2 3.98Å; L38-V61 HydrophobicContact CD2-CG2 4.23Å; L38-V61 HydrophobicContact CG-CG2 3.98Å; L57-V61 VanDerWaalsContact O-CG2 3.27Å; L57-V61 WeakPolarHBondContact O-CG2 3.49Å; L57-V61 PolarHBondContact O-N 3.23Å; L58-V61 PolarHBondContact O-N 2.87Å; V61-N63 VanDerWaalsContact C-N 3.31Å; V61-N63 PolarHBondContact O-N 2.74Å; V61-K64 WeakPolarHBondContact O-CB 3.23Å; V61-K64 PolarHBondContact O-N 2.8Å; V61-L65 HydrophobicContact CG1-CD1 3.9Å; V61-L65 HydrophobicContact CG1-CG 4.45Å; V61-L65 WeakPolarHBondContact O-CG 3.4Å; V61-L65 PolarHBondContact O-N 3.17Å; V61-L126 HydrophobicContact CG1-CD2 4.21Å
62I98.3Very high97.2Very high0 Ų052.6 Ų52.60%027%0.265CS..Hα-helixtrans-66.8-33.4-177.9-16853.9000112.4L58 C59 K64 L65 K66 V70 F90 A93 I94 Y97 L126L58-I62 PolarHBondContact O-N 2.93Å; L58-I62 VanDerWaalsContact O-N 3.11Å; C59-I62 VanDerWaalsContact O-CG2 3.3Å; C59-I62 WeakPolarHBondContact O-CG2 3.46Å; I62-K64 VanDerWaalsContact C-N 3.31Å; I62-K64 PolarHBondContact O-N 3.24Å; I62-L65 HydrophobicContact CD1-CB 4.43Å; I62-L65 HydrophobicContact CD1-CD1 4.38Å; I62-L65 PolarHBondContact O-N 2.77Å; I62-K66 CarbonylContact O-C 3.6Å; I62-K66 PolarHBondContact O-N 2.91Å; I62-V70 HydrophobicContact CG2-CG2 3.78Å; I62-F90 HydrophobicContact CB-CD2 4.12Å; I62-F90 HydrophobicContact CB-CE2 4.24Å; I62-F90 HydrophobicContact CG2-CD2 3.9Å; I62-A93 HydrophobicContact CB-CB 4.43Å; I62-A93 HydrophobicContact CG1-CB 3.72Å; I62-A93 HydrophobicContact CG2-CB 3.88Å; I62-I94 HydrophobicContact CB-CG2 4.41Å; I62-I94 HydrophobicContact CD1-CG2 4.01Å; I62-I94 HydrophobicContact CG1-CG2 4.06Å; I62-Y97 HydrophobicContact CD1-CD1 4.37Å; I62-Y97 HydrophobicContact CD1-CD2 4.26Å; I62-Y97 HydrophobicContact CD1-CG 3.98Å; I62-L126 HydrophobicContact CD1-CD1 4.16Å
63N98.2Very high97.2Very high39 Ų3954.2 Ų54.221%0.20927%0.273CS..Hα-helixtrans-68-28.9172.4-85.6-10.1000113.5C59 K60 V61 K66 P67 S69 V70C59-N63 WeakPolarHBondContact O-CB 3.41Å; C59-N63 PolarHBondContact O-N 2.9Å; K60-N63 PolarHBondContact O-N 3.4Å; V61-N63 VanDerWaalsContact C-N 3.31Å; V61-N63 PolarHBondContact O-N 2.74Å; N63-K66 CarbonylContact O-C 3.42Å; N63-P67 VanDerWaalsContact O-CA 3.25Å; N63-P67 WeakPolarHBondContact O-CA 3.38Å; N63-S69 PolarHBondContact OD1-N 3.38Å; N63-V70 PolarHBondContact ND2-O 3.44Å; N63-V70 PolarHBondContact OD1-N 3.25Å; N63-V70 PolarHBondContact OD1-O 3Å
64K96.4Very high97.2Very high133 Ų13352 Ų5258%0.57826%0.264SS*.Hα-helixtrans-73.4-38.4174.1-177.263.8173.1-172.80111.7V37 L38 K60 V61 I62V37-K64 HydrophobicContact CG1-CB 4.12Å; V37-K64 HydrophobicContact CG1-CG 3.81Å; V37-K64 WeakPolarHBondContact O-CE 3.3Å; V37-K64 WeakPolarHBondContact O-CG 3.28Å; L38-K64 HydrophobicContact CD2-CB 4.01Å; L38-K64 HydrophobicContact CD2-CG 4.4Å; K60-K64 WeakPolarHBondContact O-CB 3.49Å; K60-K64 PolarHBondContact O-N 3.34Å; V61-K64 WeakPolarHBondContact O-CB 3.23Å; V61-K64 PolarHBondContact O-N 2.8Å; I62-K64 VanDerWaalsContact C-N 3.31Å; I62-K64 PolarHBondContact O-N 3.24Å
65L95.6Very high97.1Very high28 Ų2853.9 Ų53.915%0.14727%0.271CS..Hα-helixtrans-72.4-45177.3-63.8171.4000112W33 V37 V61 I62 L126 C130 Y136W33-L65 HydrophobicContact CH2-CD1 4Å; W33-L65 HydrophobicContact CZ2-CD1 4.41Å; V37-L65 HydrophobicContact CG1-CD2 4.24Å; V37-L65 HydrophobicContact CG1-CG 4.46Å; V61-L65 HydrophobicContact CG1-CD1 3.9Å; V61-L65 HydrophobicContact CG1-CG 4.45Å; V61-L65 WeakPolarHBondContact O-CG 3.4Å; V61-L65 PolarHBondContact O-N 3.17Å; I62-L65 HydrophobicContact CD1-CB 4.43Å; I62-L65 HydrophobicContact CD1-CD1 4.38Å; I62-L65 PolarHBondContact O-N 2.77Å; L65-L126 HydrophobicContact CD1-CD1 4.15Å; L65-L126 HydrophobicContact CD1-CD2 4.02Å; L65-L126 HydrophobicContact CD1-CG 4.12Å; L65-C130 VanDerWaalsContact CD1-SG 3.6Å; L65-Y136 HydrophobicContact CD2-CD2 4.18Å; L65-Y136 HydrophobicContact CD2-CE2 3.4Å
66K95.3Very high96.8Very high93 Ų9360.5 Ų60.540%0.40431%0.306SS..SBendtrans-134.798.9177.4-179.7174.3176.3177.10109.3I62 N63 G68 S69 Y97I62-K66 CarbonylContact O-C 3.6Å; I62-K66 PolarHBondContact O-N 2.91Å; N63-K66 CarbonylContact O-C 3.42Å; K66-G68 PolarHBondContact O-N 3.44Å; K66-S69 VanDerWaalsContact CB-OG 3.29Å; K66-S69 WeakPolarHBondContact CB-OG 3.33Å; K66-S69 VanDerWaalsContact CG-OG 3.31Å; K66-S69 WeakPolarHBondContact CG-OG 3.4Å; K66-S69 WeakPolarHBondContact O-CB 3.03Å; K66-S69 PolarHBondContact O-N 2.84Å; K66-S69 PolarHBondContact O-OG 3.05Å; K66-Y97 HydrophobicContact CB-CD2 3.9Å; K66-Y97 HydrophobicContact CB-CE2 3.94Å; K66-Y97 HydrophobicContact CD-CD2 3.77Å; K66-Y97 HydrophobicContact CD-CE2 4.35Å; K66-Y97 HydrophobicContact CG-CD2 4.49Å
67P95.9Very high96.3Very high113 Ų11360.6 Ų60.673%0.73431%0.307SS*.THydrogen-bonded Turntrans-52.3134179.4-29.336.6000112.7N63N63-P67 VanDerWaalsContact O-CA 3.25Å; N63-P67 WeakPolarHBondContact O-CA 3.38Å
68G95.4Very high96Very high58 Ų5865 Ų6560%0.59834%0.336SS*.THydrogen-bonded Turntrans82.57.3177.700000115.7K66K66-G68 PolarHBondContact O-N 3.44Å
69S97.7Very high95.8Very high35 Ų3569.4 Ų69.425%0.24536%0.357CS..SBendtrans-63.9-43.5178.8-62.30000113.2N63 K66N63-S69 PolarHBondContact OD1-N 3.38Å; K66-S69 VanDerWaalsContact CB-OG 3.29Å; K66-S69 WeakPolarHBondContact CB-OG 3.33Å; K66-S69 VanDerWaalsContact CG-OG 3.31Å; K66-S69 WeakPolarHBondContact CG-OG 3.4Å; K66-S69 WeakPolarHBondContact O-CB 3.03Å; K66-S69 PolarHBondContact O-N 2.84Å; K66-S69 PolarHBondContact O-OG 3.05Å
70V98.1Very high95.7Very high9 Ų972.6 Ų72.66%0.05538%0.378CS..SBendtrans-113110.8174.1177.50000108.7C59 I62 N63 R72 I73 A89 A93C59-V70 HydrophobicContact CB-CB 4.45Å; C59-V70 HydrophobicContact CB-CG1 4.21Å; C59-V70 HydrophobicContact CB-CG2 4.37Å; I62-V70 HydrophobicContact CG2-CG2 3.78Å; N63-V70 PolarHBondContact ND2-O 3.44Å; N63-V70 PolarHBondContact OD1-N 3.25Å; N63-V70 PolarHBondContact OD1-O 3Å; V70-R72 WeakPolarHBondContact CG1-O 3.37Å; V70-I73 HydrophobicContact CG1-CG1 3.77Å; V70-A89 HydrophobicContact CG1-CB 3.84Å; V70-A89 HydrophobicContact CG2-CB 4.16Å; V70-A93 HydrophobicContact CG2-CB 3.79Å
71K95.3Very high95.6Very high206 Ų20675 Ų7590%0.89639%0.388SS*.SBendtrans-71.7-39-174.9-62.9-179.1-178.41780113.5
72R95.4Very high95.5Very high173 Ų17378.2 Ų78.265%0.65340%0.402SS*.  trans-131.7124.6-177-179-179.6175.5174.20.1109.2V70V70-R72 WeakPolarHBondContact CG1-O 3.37Å
73I97.6Very high95.5Very high34 Ų3478.9 Ų78.917%0.17441%0.406CS..  trans-111.4127.2173.5-54.6176.6000106.9V56 C59 K60 V70 E75V56-I73 HydrophobicContact CB-CG2 4.34Å; V56-I73 HydrophobicContact CG1-CG2 4.07Å; V56-I73 HydrophobicContact CG2-CG2 4.13Å; C59-I73 HydrophobicContact CB-CD1 3.53Å; C59-I73 HydrophobicContact CB-CG1 3.71Å; C59-I73 HydrophobicContact CB-CG2 4.12Å; K60-I73 HydrophobicContact CG-CD1 4.11Å; V70-I73 HydrophobicContact CG1-CG1 3.77Å; I73-E75 VanDerWaalsContact C-N 3.31Å; I73-E75 PolarHBondContact O-N 2.67Å
74N97.4Very high95.5Very high10 Ų1079.8 Ų79.85%0.05341%0.409CS..  trans-75.888.1170.8-67.7-60.7000108.9V56 A77 K82 E85 N86V56-N74 WeakPolarHBondContact CG2-O 3.42Å; N74-A77 HydrophobicContact CB-CB 4.16Å; N74-A77 WeakPolarHBondContact O-CB 3.48Å; N74-A77 PolarHBondContact O-N 3.45Å; N74-K82 HydrophobicContact CB-CB 3.88Å; N74-K82 HydrophobicContact CB-CD 4.22Å; N74-K82 HydrophobicContact CB-CG 4.3Å; N74-K82 PolarHBondContact ND2-O 3.16Å; N74-E85 PolarHBondContact ND2-OE2 3.25Å; N74-N86 WeakPolarHBondContact CB-OD1 3.33Å; N74-N86 PolarHBondContact N-OD1 3.45Å; N74-N86 PolarHBondContact O-ND2 2.8Å; N74-N86 VanDerWaalsContact O-ND2 3.07Å
75E94.4Very high95.6Very high93 Ų9377.7 Ų77.744%0.43540%0.402SS..THydrogen-bonded Turntrans-59.9139.3170.4-60.3-68.8163.200109.4K60 I73 A77K60-E75 WeakPolarHBondContact CE-OE1 3.3Å; K60-E75 IonicContact NZ-OE1 3.23Å; K60-E75 PolarHBondContact NZ-OE1 3.28Å; K60-E75 VanDerWaalsContact NZ-OE1 3.16Å; K60-E75 IonicContact NZ-OE2 3.87Å; K60-E75 PolarHBondContact NZ-OE2 3.39Å; I73-E75 VanDerWaalsContact C-N 3.31Å; I73-E75 PolarHBondContact O-N 2.67Å; E75-A77 VanDerWaalsContact C-N 3.35Å; E75-A77 PolarHBondContact O-N 3.37Å
76N90.5Very high95.7Very high138 Ų13876.4 Ų76.474%0.73840%0.395SS*.THydrogen-bonded Turntrans57.840.9-176-49.9-54.7000113.8T78N76-T78 PolarHBondContact O-N 2.88Å
77A88.6Confident95.9Very high8 Ų872 Ų727%0.06638%0.376CS..  trans-64.593.8177.100000111.7N74 E75 K82 I83N74-A77 HydrophobicContact CB-CB 4.16Å; N74-A77 WeakPolarHBondContact O-CB 3.48Å; N74-A77 PolarHBondContact O-N 3.45Å; E75-A77 VanDerWaalsContact C-N 3.35Å; E75-A77 PolarHBondContact O-N 3.37Å; A77-K82 HydrophobicContact CB-CB 3.75Å; A77-I83 HydrophobicContact CB-CG1 3.79Å; A77-I83 WeakPolarHBondContact O-CD1 3.46Å; A77-I83 WeakPolarHBondContact O-CG1 3.17Å
78T91.2Very high96Very high117 Ų11769.8 Ų69.872%0.71836%0.358SS*.  trans-93.9-27.7172.454.70000112.5N76N76-T78 PolarHBondContact O-N 2.88Å
79M95.1Very high96.2Very high95 Ų9568.4 Ų68.447%0.46834%0.341SS..SBendtrans-82.3135.7-179-60-58.3-76.600110.8F81 K82 I83M79-F81 VanDerWaalsContact C-N 3.31Å; M79-F81 HydrophobicContact CB-CD1 3.9Å; M79-F81 HydrophobicContact CB-CE1 3.52Å; M79-F81 HydrophobicContact CB-CZ 4.06Å; M79-F81 HydrophobicContact CE-CE1 4.36Å; M79-F81 HydrophobicContact CG-CE1 4.08Å; M79-F81 HydrophobicContact CG-CZ 4.47Å; M79-F81 PolarHBondContact O-N 2.99Å; M79-F81 VanDerWaalsContact O-N 3.15Å; M79-K82 HydrophobicContact CB-CG 4.4Å; M79-K82 PolarHBondContact O-N 3.12Å; M79-I83 PolarHBondContact O-N 3.44Å
80P96.6Very high96.2Very high66 Ų6666.8 Ų66.843%0.42933%0.329SS..Hα-helixtrans-47.8-46-177.9-34.838.4000115.3K82 I83 M84 F111P80-K82 VanDerWaalsContact C-N 3.33Å; P80-K82 PolarHBondContact O-N 3.21Å; P80-I83 PolarHBondContact O-N 3.38Å; P80-M84 WeakPolarHBondContact O-CG 3.46Å; P80-M84 PolarHBondContact O-N 3.31Å; P80-F111 HydrophobicContact CB-CE1 4.45Å; P80-F111 HydrophobicContact CB-CE2 4.16Å; P80-F111 HydrophobicContact CB-CZ 3.6Å; P80-F111 HydrophobicContact CG-CZ 4.08Å
81F95.7Very high96.2Very high123 Ų12367 Ų6754%0.53933%0.329SS..Hα-helixtrans-65.9-33.6-177.667.1-93.2000112.9M79 E85M79-F81 VanDerWaalsContact C-N 3.31Å; M79-F81 HydrophobicContact CB-CD1 3.9Å; M79-F81 HydrophobicContact CB-CE1 3.52Å; M79-F81 HydrophobicContact CB-CZ 4.06Å; M79-F81 HydrophobicContact CE-CE1 4.36Å; M79-F81 HydrophobicContact CG-CE1 4.08Å; M79-F81 HydrophobicContact CG-CZ 4.47Å; M79-F81 PolarHBondContact O-N 2.99Å; M79-F81 VanDerWaalsContact O-N 3.15Å; F81-E85 VanDerWaalsContact O-CB 3.3Å; F81-E85 WeakPolarHBondContact O-CB 3.36Å; F81-E85 PolarHBondContact O-N 3.41Å
82K97.7Very high96.4Very high71 Ų7162.4 Ų62.431%0.30931%0.312SS..Hα-helixtrans-69.5-39176.4-68.1-170.9179.3-1770111.5N74 A77 M79 P80 E85 N86N74-K82 HydrophobicContact CB-CB 3.88Å; N74-K82 HydrophobicContact CB-CD 4.22Å; N74-K82 HydrophobicContact CB-CG 4.3Å; N74-K82 PolarHBondContact ND2-O 3.16Å; A77-K82 HydrophobicContact CB-CB 3.75Å; M79-K82 HydrophobicContact CB-CG 4.4Å; M79-K82 PolarHBondContact O-N 3.12Å; P80-K82 VanDerWaalsContact C-N 3.33Å; P80-K82 PolarHBondContact O-N 3.21Å; K82-E85 PolarHBondContact O-N 2.93Å; K82-N86 PolarHBondContact O-N 3.44Å
83I98Very high96.6Very high15 Ų1554.5 Ų54.58%0.07728%0.283CS..Hα-helixtrans-64.1-49.6176.3-63.4171.3000109.6K53 A77 M79 P80 E85 N86 I87 F111K53-I83 WeakPolarHBondContact O-CG2 3.27Å; A77-I83 HydrophobicContact CB-CG1 3.79Å; A77-I83 WeakPolarHBondContact O-CD1 3.46Å; A77-I83 WeakPolarHBondContact O-CG1 3.17Å; M79-I83 PolarHBondContact O-N 3.44Å; P80-I83 PolarHBondContact O-N 3.38Å; I83-E85 VanDerWaalsContact C-N 3.3Å; I83-E85 PolarHBondContact O-N 3.45Å; I83-N86 PolarHBondContact O-N 2.77Å; I83-I87 HydrophobicContact CG2-CD1 3.84Å; I83-I87 WeakPolarHBondContact O-CG1 3.13Å; I83-I87 PolarHBondContact O-N 3.43Å; I83-F111 HydrophobicContact CB-CD2 4.16Å; I83-F111 HydrophobicContact CB-CE2 4.2Å; I83-F111 HydrophobicContact CD1-CE2 4.07Å; I83-F111 HydrophobicContact CG2-CD2 3.63Å; I83-F111 HydrophobicContact CG2-CE2 4.13Å
84M97.9Very high96.6Very high57 Ų5752.9 Ų52.928%0.28128%0.275SS..Hα-helixtrans-60.1-39.6176.7-69.1-179.9176.500112.1P80 I87 N88 T107 F111P80-M84 WeakPolarHBondContact O-CG 3.46Å; P80-M84 PolarHBondContact O-N 3.31Å; M84-I87 PolarHBondContact O-N 3.02Å; M84-N88 WeakPolarHBondContact O-CB 3.41Å; M84-N88 PolarHBondContact O-N 2.98Å; M84-N88 PolarHBondContact O-ND2 3.3Å; M84-N88 PolarHBondContact O-OD1 3.49Å; M84-T107 HydrophobicContact CB-CG2 3.91Å; M84-T107 HydrophobicContact CG-CG2 3.79Å; M84-F111 HydrophobicContact CE-CD1 3.31Å; M84-F111 HydrophobicContact CE-CE1 3.35Å; M84-F111 HydrophobicContact CE-CG 4.09Å; M84-F111 HydrophobicContact CE-CZ 4.13Å; M84-F111 HydrophobicContact CG-CD1 4.48Å; M84-F111 HydrophobicContact CG-CG 4.36Å
85E98.2Very high96.7Very high90 Ų9055.8 Ų55.842%0.42129%0.287SS..Hα-helixtrans-62.4-44.6176.3-172.9-179.9-169.300112N74 F81 K82 I83 N88 A89N74-E85 PolarHBondContact ND2-OE2 3.25Å; F81-E85 VanDerWaalsContact O-CB 3.3Å; F81-E85 WeakPolarHBondContact O-CB 3.36Å; F81-E85 PolarHBondContact O-N 3.41Å; K82-E85 PolarHBondContact O-N 2.93Å; I83-E85 VanDerWaalsContact C-N 3.3Å; I83-E85 PolarHBondContact O-N 3.45Å; E85-N88 PolarHBondContact O-N 2.79Å; E85-A89 VanDerWaalsContact O-CB 3.32Å; E85-A89 WeakPolarHBondContact O-CB 3.28Å; E85-A89 PolarHBondContact O-N 2.8Å
86N98.6Very high96.8Very high0 Ų054.9 Ų54.90%030%0.295CS..Hα-helixtrans-60.7-47.9174.5-71.8-13.8000111.4D54 V56 C59 N74 K82 I83 N88 A89 F90D54-N86 WeakPolarHBondContact O-CB 3.28Å; D54-N86 PolarHBondContact O-ND2 2.89Å; V56-N86 WeakPolarHBondContact CG2-ND2 3.42Å; C59-N86 PolarHBondContact SG-O 3.26Å; N74-N86 WeakPolarHBondContact CB-OD1 3.33Å; N74-N86 PolarHBondContact N-OD1 3.45Å; N74-N86 PolarHBondContact O-ND2 2.8Å; N74-N86 VanDerWaalsContact O-ND2 3.07Å; K82-N86 PolarHBondContact O-N 3.44Å; I83-N86 PolarHBondContact O-N 2.77Å; N86-N88 PolarHBondContact O-N 3.42Å; N86-A89 PolarHBondContact O-N 3.48Å; N86-F90 PolarHBondContact O-N 3.39Å
87I98.6Very high97.1Very high0 Ų048.7 Ų48.70%026%0.262CS..Hα-helixtrans-60.4-46179.7-67.2169.3000110.8I83 M84 A89 F90 Q91 F105 T107 L110 F111I83-I87 HydrophobicContact CG2-CD1 3.84Å; I83-I87 WeakPolarHBondContact O-CG1 3.13Å; I83-I87 PolarHBondContact O-N 3.43Å; M84-I87 PolarHBondContact O-N 3.02Å; I87-A89 PolarHBondContact O-N 3.42Å; I87-F90 WeakPolarHBondContact O-CB 3.33Å; I87-F90 PolarHBondContact O-N 2.9Å; I87-Q91 HydrophobicContact CG2-CG 4.42Å; I87-Q91 VanDerWaalsContact O-CG 3.3Å; I87-Q91 WeakPolarHBondContact O-CG 3.42Å; I87-Q91 PolarHBondContact O-N 3.29Å; I87-F105 HydrophobicContact CG2-CE2 3.58Å; I87-F105 HydrophobicContact CG2-CZ 3.87Å; I87-T107 HydrophobicContact CB-CG2 4.12Å; I87-T107 HydrophobicContact CD1-CG2 4.37Å; I87-T107 HydrophobicContact CG2-CG2 3.92Å; I87-L110 HydrophobicContact CD1-CB 4.25Å; I87-L110 HydrophobicContact CD1-CD2 3.98Å; I87-L110 HydrophobicContact CD1-CG 4.14Å; I87-L110 HydrophobicContact CG1-CD2 4.11Å; I87-F111 HydrophobicContact CD1-CB 4.19Å
88N98.4Very high97.5Very high67 Ų6750.6 Ų50.636%0.35828%0.282SS..Hα-helixtrans-64.3-40.8178.6-68.3-9000111.5M84 E85 N86 F90 Q91 E92 T107M84-N88 WeakPolarHBondContact O-CB 3.41Å; M84-N88 PolarHBondContact O-N 2.98Å; M84-N88 PolarHBondContact O-ND2 3.3Å; M84-N88 PolarHBondContact O-OD1 3.49Å; E85-N88 PolarHBondContact O-N 2.79Å; N86-N88 PolarHBondContact O-N 3.42Å; N88-F90 VanDerWaalsContact C-N 3.32Å; N88-F90 PolarHBondContact O-N 3.42Å; N88-Q91 PolarHBondContact O-N 2.9Å; N88-Q91 PolarHBondContact OD1-OE1 3.26Å; N88-E92 WeakPolarHBondContact O-CG 3.18Å; N88-E92 PolarHBondContact O-N 3.45Å; N88-T107 PolarHBondContact OD1-OG1 3.31Å
89A98.7Very high97.8Very high29 Ų2945.2 Ų45.224%0.2425%0.249CC..Hα-helixtrans-62.1-41.2176.300000111.7V70 E85 N86 I87 A93V70-A89 HydrophobicContact CG1-CB 3.84Å; V70-A89 HydrophobicContact CG2-CB 4.16Å; E85-A89 VanDerWaalsContact O-CB 3.32Å; E85-A89 WeakPolarHBondContact O-CB 3.28Å; E85-A89 PolarHBondContact O-N 2.8Å; N86-A89 PolarHBondContact O-N 3.48Å; I87-A89 PolarHBondContact O-N 3.42Å; A89-A93 WeakPolarHBondContact O-CB 3.48Å; A89-A93 PolarHBondContact O-N 3.11Å
90F98.7Very high97.9Very high1 Ų143.9 Ų43.90%0.00425%0.247CC..Hα-helixtrans-61.5-48.2172.2171-104.2000112L58 I62 N86 I87 N88 E92 A93 I94 F105 L126L58-F90 VanDerWaalsContact C-CD2 3.46Å; L58-F90 HydrophobicContact CB-CB 4.13Å; L58-F90 HydrophobicContact CB-CD1 3.98Å; L58-F90 HydrophobicContact CB-CD2 3.62Å; L58-F90 HydrophobicContact CB-CE1 4.28Å; L58-F90 HydrophobicContact CB-CE2 3.91Å; L58-F90 HydrophobicContact CB-CG 3.62Å; L58-F90 HydrophobicContact CB-CZ 4.23Å; L58-F90 HydrophobicContact CD1-CD1 4.03Å; L58-F90 HydrophobicContact CD1-CE1 4.2Å; L58-F90 HydrophobicContact CD1-CG 4.47Å; L58-F90 HydrophobicContact CD2-CE1 4.46Å; L58-F90 HydrophobicContact CD2-CZ 4.27Å; L58-F90 WeakPolarHBondContact O-CD2 3.34Å; L58-F90 WeakPolarHBondContact O-CE2 3.45Å; I62-F90 HydrophobicContact CB-CD2 4.12Å; I62-F90 HydrophobicContact CB-CE2 4.24Å; I62-F90 HydrophobicContact CG2-CD2 3.9Å; N86-F90 PolarHBondContact O-N 3.39Å; I87-F90 WeakPolarHBondContact O-CB 3.33Å; I87-F90 PolarHBondContact O-N 2.9Å; N88-F90 VanDerWaalsContact C-N 3.32Å; N88-F90 PolarHBondContact O-N 3.42Å; F90-E92 PolarHBondContact O-N 2.94Å; F90-A93 WeakPolarHBondContact O-CB 3.36Å; F90-A93 PolarHBondContact O-N 3.15Å; F90-I94 HydrophobicContact CD1-CD1 4.33Å; F90-I94 HydrophobicContact CD2-CG2 3.85Å; F90-I94 HydrophobicContact CE1-CD1 3.73Å; F90-I94 HydrophobicContact CE1-CG2 4.15Å; F90-I94 HydrophobicContact CE2-CG2 3.39Å; F90-I94 HydrophobicContact CG-CG2 4.45Å; F90-I94 HydrophobicContact CZ-CD1 4.04Å; F90-I94 HydrophobicContact CZ-CG2 3.56Å; F90-I94 WeakPolarHBondContact O-CG1 3.48Å; F90-I94 WeakPolarHBondContact O-CG2 3.34Å; F90-I94 PolarHBondContact O-N 3.24Å; F90-F105 HydrophobicContact CD1-CE1 4.1Å; F90-F105 HydrophobicContact CD1-CZ 4.3Å; F90-F105 AromaticContact CE1-CE1 3.85Å; F90-F105 HydrophobicContact CE1-CE1 3.85Å; F90-F105 HydrophobicContact CE1-CZ 4.46Å; F90-L126 HydrophobicContact CE2-CD2 3.98Å; F90-L126 HydrophobicContact CZ-CD2 4.04Å
91Q98.8Very high97.9Very high13 Ų1345.5 Ų45.56%0.06126%0.256CS..Hα-helixtrans-57.1-46.8179.4-72.9166.9-11.800112I87 N88 I94 K95 V104 F105I87-Q91 HydrophobicContact CG2-CG 4.42Å; I87-Q91 VanDerWaalsContact O-CG 3.3Å; I87-Q91 WeakPolarHBondContact O-CG 3.42Å; I87-Q91 PolarHBondContact O-N 3.29Å; N88-Q91 PolarHBondContact O-N 2.9Å; N88-Q91 PolarHBondContact OD1-OE1 3.26Å; Q91-I94 VanDerWaalsContact O-CG1 3.23Å; Q91-I94 WeakPolarHBondContact O-CG1 3.21Å; Q91-K95 VanDerWaalsContact O-CG 3.28Å; Q91-K95 WeakPolarHBondContact O-CG 3.4Å; Q91-K95 PolarHBondContact O-N 3.01Å; Q91-K95 VanDerWaalsContact O-N 3.13Å; Q91-V104 HydrophobicContact CB-CG1 3.89Å; Q91-V104 HydrophobicContact CG-CG1 3.74Å; Q91-F105 PolarHBondContact NE2-O 3.45Å
92E98.6Very high97.9Very high111 Ų11143.8 Ų43.852%0.51927%0.265SS..Hα-helixtrans-66.7-39.4177.5-66.6-52.9117.900111.9N88 F90 I94 K95 A96N88-E92 WeakPolarHBondContact O-CG 3.18Å; N88-E92 PolarHBondContact O-N 3.45Å; F90-E92 PolarHBondContact O-N 2.94Å; E92-I94 PolarHBondContact O-N 3.38Å; E92-K95 PolarHBondContact O-N 3.01Å; E92-K95 IonicContact OE1-NZ 3.85Å; E92-K95 PolarHBondContact OE1-NZ 2.89Å; E92-A96 WeakPolarHBondContact O-CB 3.16Å; E92-A96 PolarHBondContact O-N 3.07Å
93A98.7Very high97.9Very high7 Ų742.7 Ų42.76%0.05826%0.262CS..Hα-helixtrans-62.4-42.8177.400000112.7I62 V70 A89 F90 A96 Y97I62-A93 HydrophobicContact CB-CB 4.43Å; I62-A93 HydrophobicContact CG1-CB 3.72Å; I62-A93 HydrophobicContact CG2-CB 3.88Å; V70-A93 HydrophobicContact CG2-CB 3.79Å; A89-A93 WeakPolarHBondContact O-CB 3.48Å; A89-A93 PolarHBondContact O-N 3.11Å; F90-A93 WeakPolarHBondContact O-CB 3.36Å; F90-A93 PolarHBondContact O-N 3.15Å; A93-A96 PolarHBondContact O-N 3.41Å; A93-Y97 WeakPolarHBondContact O-CB 2.97Å; A93-Y97 PolarHBondContact O-N 3.25Å
94I98.6Very high97.9Very high0 Ų042.8 Ų42.80%026%0.264CS..Hα-helixtrans-73.8-33.1179.465172.1000112.7I62 F90 Q91 E92 A96 Y97 G98 V99 V104 C122 L126I62-I94 HydrophobicContact CB-CG2 4.41Å; I62-I94 HydrophobicContact CD1-CG2 4.01Å; I62-I94 HydrophobicContact CG1-CG2 4.06Å; F90-I94 HydrophobicContact CD1-CD1 4.33Å; F90-I94 HydrophobicContact CD2-CG2 3.85Å; F90-I94 HydrophobicContact CE1-CD1 3.73Å; F90-I94 HydrophobicContact CE1-CG2 4.15Å; F90-I94 HydrophobicContact CE2-CG2 3.39Å; F90-I94 HydrophobicContact CG-CG2 4.45Å; F90-I94 HydrophobicContact CZ-CD1 4.04Å; F90-I94 HydrophobicContact CZ-CG2 3.56Å; F90-I94 WeakPolarHBondContact O-CG1 3.48Å; F90-I94 WeakPolarHBondContact O-CG2 3.34Å; F90-I94 PolarHBondContact O-N 3.24Å; Q91-I94 VanDerWaalsContact O-CG1 3.23Å; Q91-I94 WeakPolarHBondContact O-CG1 3.21Å; E92-I94 PolarHBondContact O-N 3.38Å; I94-A96 VanDerWaalsContact C-N 3.35Å; I94-Y97 WeakPolarHBondContact O-CB 3.36Å; I94-Y97 PolarHBondContact O-N 2.82Å; I94-Y97 VanDerWaalsContact O-N 3.15Å; I94-G98 PolarHBondContact O-N 3.16Å; I94-G98 VanDerWaalsContact O-N 3.14Å; I94-V99 HydrophobicContact CB-CB 4.18Å; I94-V99 HydrophobicContact CB-CG2 3.88Å; I94-V99 HydrophobicContact CD1-CB 4.5Å; I94-V99 HydrophobicContact CD1-CG1 4.38Å; I94-V99 HydrophobicContact CG1-CB 4.38Å; I94-V99 WeakPolarHBondContact O-CB 3.27Å; I94-V99 PolarHBondContact O-N 3.41Å; I94-V104 HydrophobicContact CD1-CG1 4.24Å; I94-V104 HydrophobicContact CD1-CG2 3.95Å; I94-V104 HydrophobicContact CG1-CG2 4.23Å; I94-C122 WeakPolarHBondContact CD1-SG 3.23Å; I94-L126 HydrophobicContact CB-CD1 4.36Å; I94-L126 HydrophobicContact CG2-CD1 3.92Å; I94-L126 HydrophobicContact CG2-CD2 3.94Å; I94-L126 HydrophobicContact CG2-CG 4.44Å
95K98.5Very high98Very high70 Ų7040.2 Ų40.230%0.30425%0.251SS..Hα-helixtrans-60.4-47.5170.7-71.7172.7-165.21680110.2Q91 E92 Y97 G98 V104Q91-K95 VanDerWaalsContact O-CG 3.28Å; Q91-K95 WeakPolarHBondContact O-CG 3.4Å; Q91-K95 PolarHBondContact O-N 3.01Å; Q91-K95 VanDerWaalsContact O-N 3.13Å; E92-K95 PolarHBondContact O-N 3.01Å; E92-K95 IonicContact OE1-NZ 3.85Å; E92-K95 PolarHBondContact OE1-NZ 2.89Å; K95-Y97 PolarHBondContact O-N 3.28Å; K95-G98 PolarHBondContact O-N 2.86Å; K95-G98 VanDerWaalsContact O-N 3.08Å; K95-V104 HydrophobicContact CG-CG2 3.88Å
96A97.9Very high98Very high74 Ų7441.7 Ų41.761%0.61226%0.258SS*.Hα-helixtrans-67.7-18.6176.200000113.6E92 A93 I94E92-A96 WeakPolarHBondContact O-CB 3.16Å; E92-A96 PolarHBondContact O-N 3.07Å; A93-A96 PolarHBondContact O-N 3.41Å; I94-A96 VanDerWaalsContact C-N 3.35Å
97Y97.3Very high97.9Very high9 Ų943 Ų434%0.03527%0.266CS..Hα-helixtrans-82-18.2172.9-170-109.1000113I62 K66 A93 I94 K95 L126 T129 H133I62-Y97 HydrophobicContact CD1-CD1 4.37Å; I62-Y97 HydrophobicContact CD1-CD2 4.26Å; I62-Y97 HydrophobicContact CD1-CG 3.98Å; K66-Y97 HydrophobicContact CB-CD2 3.9Å; K66-Y97 HydrophobicContact CB-CE2 3.94Å; K66-Y97 HydrophobicContact CD-CD2 3.77Å; K66-Y97 HydrophobicContact CD-CE2 4.35Å; K66-Y97 HydrophobicContact CG-CD2 4.49Å; A93-Y97 WeakPolarHBondContact O-CB 2.97Å; A93-Y97 PolarHBondContact O-N 3.25Å; I94-Y97 WeakPolarHBondContact O-CB 3.36Å; I94-Y97 PolarHBondContact O-N 2.82Å; I94-Y97 VanDerWaalsContact O-N 3.15Å; K95-Y97 PolarHBondContact O-N 3.28Å; Y97-L126 HydrophobicContact CD1-CD1 3.64Å; Y97-L126 HydrophobicContact CE1-CD1 3.99Å; Y97-T129 HydrophobicContact CD1-CG2 3.98Å; Y97-T129 HydrophobicContact CE1-CG2 4.23Å; Y97-H133 AromaticContact CD1-NE2 3.86Å; Y97-H133 AromaticContact CE1-CD2 3.53Å; Y97-H133 AromaticContact CE1-NE2 3.61Å; Y97-H133 AromaticContact CE2-CD2 3.92Å; Y97-H133 AromaticContact CE2-NE2 3.78Å; Y97-H133 AromaticContact CZ-CD2 3.34Å; Y97-H133 AromaticContact CZ-NE2 3.57Å; Y97-H133 PolarHBondContact O-CE1 3.28Å; Y97-H133 PolarHBondContact O-NE2 3.39Å; Y97-H133 PolarHBondContact OH-CD2 3.02Å
98G96.2Very high97.8Very high47 Ų4745 Ų4549%0.48528%0.278SS..THydrogen-bonded Turntrans115.84.6177.700000114.9I94 K95 P100I94-G98 PolarHBondContact O-N 3.16Å; I94-G98 VanDerWaalsContact O-N 3.14Å; K95-G98 PolarHBondContact O-N 2.86Å; K95-G98 VanDerWaalsContact O-N 3.08Å; G98-P100 WeakPolarHBondContact O-CD 3.32Å
99V97.3Very high97.8Very high4 Ų442.4 Ų42.42%0.02426%0.264CS..  trans-66.1126.7172.8179.30000108.8I94 T101 D103 V104 A125 L126 T129I94-V99 HydrophobicContact CB-CB 4.18Å; I94-V99 HydrophobicContact CB-CG2 3.88Å; I94-V99 HydrophobicContact CD1-CB 4.5Å; I94-V99 HydrophobicContact CD1-CG1 4.38Å; I94-V99 HydrophobicContact CG1-CB 4.38Å; I94-V99 WeakPolarHBondContact O-CB 3.27Å; I94-V99 PolarHBondContact O-N 3.41Å; V99-T101 PolarHBondContact O-N 2.83Å; V99-D103 HydrophobicContact CG1-CB 4.17Å; V99-V104 HydrophobicContact CG1-CG2 4.04Å; V99-A125 HydrophobicContact CG1-CB 3.92Å; V99-L126 HydrophobicContact CG2-CB 4.04Å; V99-L126 HydrophobicContact CG2-CD1 3.84Å; V99-T129 HydrophobicContact CG2-CG2 4.34Å
100P96.1Very high97.8Very high67 Ų6741 Ų4144%0.43525%0.253SS..  trans-57.7136.5178.4-25.334.7000111.5G98 A102 D103G98-P100 WeakPolarHBondContact O-CD 3.32Å; P100-A102 PolarHBondContact O-N 2.91Å; P100-A102 VanDerWaalsContact O-N 3.07Å; P100-D103 PolarHBondContact O-N 3.16Å
101T97.4Very high97.7Very high100 Ų10042.6 Ų42.661%0.61326%0.26SS*.G310 helixtrans-57.6-30-178.2-61.80000112.5V99 D103 V104V99-T101 PolarHBondContact O-N 2.83Å; T101-D103 VanDerWaalsContact C-N 3.26Å; T101-D103 PolarHBondContact O-N 3.02Å; T101-V104 PolarHBondContact O-N 3.38Å
102A96.8Very high97.5Very high88 Ų8845.8 Ų45.873%0.72728%0.275SS*.G310 helixtrans-65.5-25.9176.900000113.9P100P100-A102 PolarHBondContact O-N 2.91Å; P100-A102 VanDerWaalsContact O-N 3.07Å
103D97.1Very high97.3Very high47 Ų4744.1 Ų44.125%0.25127%0.265SS..G310 helixtrans-86.9-12.8177-71.3-32.9000112.1V99 P100 T101 F105 C122 A125 R128V99-D103 HydrophobicContact CG1-CB 4.17Å; P100-D103 PolarHBondContact O-N 3.16Å; T101-D103 VanDerWaalsContact C-N 3.26Å; T101-D103 PolarHBondContact O-N 3.02Å; D103-F105 PolarHBondContact O-N 3.44Å; D103-C122 WeakPolarHBondContact O-CA 3.5Å; D103-C122 WeakPolarHBondContact O-CB 3.28Å; D103-A125 HydrophobicContact CB-CB 3.57Å; D103-A125 WeakPolarHBondContact OD2-CB 3.41Å; D103-R128 IonicContact OD2-NH2 2.66Å
104V98.6Very high97.1Very high18 Ų1849.6 Ų49.611%0.10929%0.288CS..PPolyproline II helixtrans-79.2119.5-176.5-177.60000110.4Q91 I94 K95 V99 T101Q91-V104 HydrophobicContact CB-CG1 3.89Å; Q91-V104 HydrophobicContact CG-CG1 3.74Å; I94-V104 HydrophobicContact CD1-CG1 4.24Å; I94-V104 HydrophobicContact CD1-CG2 3.95Å; I94-V104 HydrophobicContact CG1-CG2 4.23Å; K95-V104 HydrophobicContact CG-CG2 3.88Å; V99-V104 HydrophobicContact CG1-CG2 4.04Å; T101-V104 PolarHBondContact O-N 3.38Å
105F98.5Very high97Very high3 Ų350.8 Ų50.81%0.01329%0.294CS..PPolyproline II helixtrans-66.2158.7176.572.3-90.4000112L58 I87 F90 Q91 D103 D109 L110 Q118 V119 C122L58-F105 HydrophobicContact CD1-CZ 4.14Å; I87-F105 HydrophobicContact CG2-CE2 3.58Å; I87-F105 HydrophobicContact CG2-CZ 3.87Å; F90-F105 HydrophobicContact CD1-CE1 4.1Å; F90-F105 HydrophobicContact CD1-CZ 4.3Å; F90-F105 AromaticContact CE1-CE1 3.85Å; F90-F105 HydrophobicContact CE1-CE1 3.85Å; F90-F105 HydrophobicContact CE1-CZ 4.46Å; Q91-F105 PolarHBondContact NE2-O 3.45Å; D103-F105 PolarHBondContact O-N 3.44Å; F105-D109 HydrophobicContact CB-CB 4.27Å; F105-D109 HydrophobicContact CD2-CB 4.26Å; F105-L110 HydrophobicContact CD2-CB 4.22Å; F105-L110 HydrophobicContact CE2-CB 3.67Å; F105-L110 HydrophobicContact CE2-CD2 4.12Å; F105-L110 HydrophobicContact CZ-CB 4.39Å; F105-L110 HydrophobicContact CZ-CD2 4.03Å; F105-Q118 HydrophobicContact CB-CB 4.36Å; F105-Q118 HydrophobicContact CB-CG 3.75Å; F105-V119 HydrophobicContact CB-CG2 4.2Å; F105-V119 HydrophobicContact CD1-CB 4.39Å; F105-V119 HydrophobicContact CD1-CG1 4.22Å; F105-V119 HydrophobicContact CD1-CG2 4.32Å; F105-V119 HydrophobicContact CD2-CG2 3.82Å; F105-V119 HydrophobicContact CE1-CG1 4.07Å; F105-V119 HydrophobicContact CE2-CG2 4.27Å; F105-V119 HydrophobicContact CG-CB 4.4Å; F105-V119 HydrophobicContact CG-CG2 3.88Å; F105-V119 HydrophobicContact CZ-CG1 4.35Å; F105-C122 HydrophobicContact CB-CB 4.49Å; F105-C122 HydrophobicContact CD1-CB 3.66Å; F105-C122 HydrophobicContact CE1-CB 4.49Å
106Q98Very high97Very high120 Ų12047.9 Ų47.956%0.56128%0.282SS*.PPolyproline II helixtrans-87.2152175-52.2-169.5-70.900111.2V108 D109Q106-V108 HydrophobicContact CB-CG2 4.09Å; Q106-V108 PolarHBondContact O-N 3.19Å; Q106-D109 WeakPolarHBondContact CB-OD2 3.37Å; Q106-D109 PolarHBondContact N-OD2 3.47Å; Q106-D109 VanDerWaalsContact O-CB 3.27Å; Q106-D109 WeakPolarHBondContact O-CB 3.28Å; Q106-D109 PolarHBondContact O-N 3.38Å
107T98.1Very high97Very high29 Ų2944.7 Ų44.718%0.17826%0.256CS..Hα-helixtrans-51.2-39.3-177.6-37.30000113.3M84 I87 N88 D109 F111M84-T107 HydrophobicContact CB-CG2 3.91Å; M84-T107 HydrophobicContact CG-CG2 3.79Å; I87-T107 HydrophobicContact CB-CG2 4.12Å; I87-T107 HydrophobicContact CD1-CG2 4.37Å; I87-T107 HydrophobicContact CG2-CG2 3.92Å; N88-T107 PolarHBondContact OD1-OG1 3.31Å; T107-D109 VanDerWaalsContact C-N 3.29Å; T107-D109 PolarHBondContact O-N 3.26Å; T107-F111 WeakPolarHBondContact O-CB 3.41Å; T107-F111 PolarHBondContact O-N 3.15Å
108V96.1Very high97Very high42 Ų4246.9 Ų46.926%0.25527%0.266SS..Hα-helixtrans-67.2-26.1178.6-64.30000113.6Q106 L110 E112 K113 K114Q106-V108 HydrophobicContact CB-CG2 4.09Å; Q106-V108 PolarHBondContact O-N 3.19Å; V108-L110 VanDerWaalsContact C-N 3.27Å; V108-L110 PolarHBondContact O-N 2.92Å; V108-E112 HydrophobicContact CB-CG 4.49Å; V108-E112 WeakPolarHBondContact O-CA 3.26Å; V108-E112 WeakPolarHBondContact O-CB 3.37Å; V108-E112 PolarHBondContact O-N 3.5Å; V108-K113 PolarHBondContact O-N 3.12Å; V108-K114 HydrophobicContact CG2-CD 4.05Å; V108-K114 PolarHBondContact O-N 3.32Å
109D97.8Very high97.1Very high11 Ų1144.6 Ų44.66%0.05924%0.243CC..Hα-helixtrans-63.7-38.1-178.4-61.6-25.8000110.8F105 Q106 T107 K113 K114 D115 I116 V119F105-D109 HydrophobicContact CB-CB 4.27Å; F105-D109 HydrophobicContact CD2-CB 4.26Å; Q106-D109 WeakPolarHBondContact CB-OD2 3.37Å; Q106-D109 PolarHBondContact N-OD2 3.47Å; Q106-D109 VanDerWaalsContact O-CB 3.27Å; Q106-D109 WeakPolarHBondContact O-CB 3.28Å; Q106-D109 PolarHBondContact O-N 3.38Å; T107-D109 VanDerWaalsContact C-N 3.29Å; T107-D109 PolarHBondContact O-N 3.26Å; D109-K113 CarbonylContact O-C 3.39Å; D109-K113 WeakPolarHBondContact O-CA 3.4Å; D109-K114 PolarHBondContact O-N 3.31Å; D109-K114 VanDerWaalsContact O-N 3.12Å; D109-D115 HydrophobicContact CB-CB 4.17Å; D109-D115 PolarHBondContact O-N 3.5Å; D109-I116 WeakPolarHBondContact O-CD1 3.46Å; D109-V119 HydrophobicContact CB-CG2 4.25Å
110L98.1Very high97.2Very high1 Ų144.6 Ų44.61%0.00524%0.243CC..Hα-helixtrans-91-49173.4-178.154.9000112.7L52 L58 I87 F105 V108 E112 K113 I116 V119L52-L110 HydrophobicContact CB-CD1 4.18Å; L52-L110 HydrophobicContact CB-CD2 4.45Å; L58-L110 HydrophobicContact CD1-CD2 3.71Å; I87-L110 HydrophobicContact CD1-CB 4.25Å; I87-L110 HydrophobicContact CD1-CD2 3.98Å; I87-L110 HydrophobicContact CD1-CG 4.14Å; I87-L110 HydrophobicContact CG1-CD2 4.11Å; F105-L110 HydrophobicContact CD2-CB 4.22Å; F105-L110 HydrophobicContact CE2-CB 3.67Å; F105-L110 HydrophobicContact CE2-CD2 4.12Å; F105-L110 HydrophobicContact CZ-CB 4.39Å; F105-L110 HydrophobicContact CZ-CD2 4.03Å; V108-L110 VanDerWaalsContact C-N 3.27Å; V108-L110 PolarHBondContact O-N 2.92Å; L110-E112 PolarHBondContact O-N 3.48Å; L110-K113 PolarHBondContact O-N 2.9Å; L110-I116 HydrophobicContact CD1-CD1 4.41Å; L110-V119 HydrophobicContact CB-CG2 3.86Å; L110-V119 HydrophobicContact CD1-CG1 4.39Å; L110-V119 HydrophobicContact CD1-CG2 4.48Å; L110-V119 HydrophobicContact CD2-CG1 4.44Å
111F97.1Very high97.3Very high34 Ų3444.9 Ų44.915%0.14924%0.238CC..Hα-helixtrans-64.9-44.4-172.5179.4-108000112.8P80 I83 M84 I87 T107P80-F111 HydrophobicContact CB-CE1 4.45Å; P80-F111 HydrophobicContact CB-CE2 4.16Å; P80-F111 HydrophobicContact CB-CZ 3.6Å; P80-F111 HydrophobicContact CG-CZ 4.08Å; I83-F111 HydrophobicContact CB-CD2 4.16Å; I83-F111 HydrophobicContact CB-CE2 4.2Å; I83-F111 HydrophobicContact CD1-CE2 4.07Å; I83-F111 HydrophobicContact CG2-CD2 3.63Å; I83-F111 HydrophobicContact CG2-CE2 4.13Å; M84-F111 HydrophobicContact CE-CD1 3.31Å; M84-F111 HydrophobicContact CE-CE1 3.35Å; M84-F111 HydrophobicContact CE-CG 4.09Å; M84-F111 HydrophobicContact CE-CZ 4.13Å; M84-F111 HydrophobicContact CG-CD1 4.48Å; M84-F111 HydrophobicContact CG-CG 4.36Å; I87-F111 HydrophobicContact CD1-CB 4.19Å; T107-F111 WeakPolarHBondContact O-CB 3.41Å; T107-F111 PolarHBondContact O-N 3.15Å
112E94.9Very high97.3Very high80 Ų8040.1 Ų40.137%0.37421%0.209SC..SBendtrans-1002.7177.9-57.1-172.2175.500112.6V108 L110 K114V108-E112 HydrophobicContact CB-CG 4.49Å; V108-E112 WeakPolarHBondContact O-CA 3.26Å; V108-E112 WeakPolarHBondContact O-CB 3.37Å; V108-E112 PolarHBondContact O-N 3.5Å; L110-E112 PolarHBondContact O-N 3.48Å; E112-K114 VanDerWaalsContact C-N 3.28Å; E112-K114 PolarHBondContact O-N 3.48Å
113K95.3Very high97.4Very high75 Ų7536 Ų3633%0.32618%0.175SC..  trans5836.9-177.9-49.8177.2173.7-161.90113.7E49 E50 V108 D109 L110 I116E49-K113 HydrophobicContact CG-CD 3.73Å; E49-K113 VanDerWaalsContact CG-CE 3.42Å; E49-K113 HydrophobicContact CG-CG 4.07Å; E49-K113 IonicContact OE1-NZ 2.83Å; E49-K113 PolarHBondContact OE1-NZ 3.07Å; E50-K113 WeakPolarHBondContact OE1-CE 3.49Å; E50-K113 IonicContact OE1-NZ 3.22Å; E50-K113 PolarHBondContact OE1-NZ 3.16Å; V108-K113 PolarHBondContact O-N 3.12Å; D109-K113 CarbonylContact O-C 3.39Å; D109-K113 WeakPolarHBondContact O-CA 3.4Å; L110-K113 PolarHBondContact O-N 2.9Å; K113-I116 HydrophobicContact CB-CD1 4.04Å; K113-I116 HydrophobicContact CB-CG1 4.23Å; K113-I116 HydrophobicContact CG-CD1 4.27Å
114K94Very high97.5Very high123 Ų12335 Ų3554%0.53517%0.168SC..SBendtrans-71.7-38.6-176.6-171.8-177.2177.6-1770112.7V108 D109 E112V108-K114 HydrophobicContact CG2-CD 4.05Å; V108-K114 PolarHBondContact O-N 3.32Å; D109-K114 PolarHBondContact O-N 3.31Å; D109-K114 VanDerWaalsContact O-N 3.12Å; E112-K114 VanDerWaalsContact C-N 3.28Å; E112-K114 PolarHBondContact O-N 3.48Å
115D96.4Very high97.4Very high24 Ų2434.2 Ų34.213%0.12816%0.163CC..  trans-149.877.8179.4-164.6-14.2000111.3L18 D109 A117 Q118 V119L18-D115 HydrophobicContact CD1-CB 4.34Å; L18-D115 WeakPolarHBondContact CD2-OD2 3.4Å; D109-D115 HydrophobicContact CB-CB 4.17Å; D109-D115 PolarHBondContact O-N 3.5Å; D115-A117 PolarHBondContact O-N 3.01Å; D115-A117 PolarHBondContact OD1-N 3.43Å; D115-Q118 HydrophobicContact CB-CB 4.11Å; D115-Q118 WeakPolarHBondContact O-CB 3.4Å; D115-Q118 PolarHBondContact O-N 3.31Å; D115-Q118 PolarHBondContact OD1-N 2.94Å; D115-Q118 VanDerWaalsContact OD1-N 3.14Å; D115-V119 PolarHBondContact O-N 3.05Å
116I97.9Very high97.4Very high9 Ų934.1 Ų34.15%0.04616%0.163CC..Hα-helixtrans-63.7-29178.9-59.8-56.8000112Y48 E49 D109 L110 K113 Q118 V119 T120Y48-I116 HydrophobicContact CD1-CG2 3.63Å; Y48-I116 HydrophobicContact CE1-CG2 3.73Å; E49-I116 HydrophobicContact CB-CD1 3.43Å; E49-I116 VanDerWaalsContact CB-CD1 3.43Å; E49-I116 HydrophobicContact CB-CG1 3.91Å; E49-I116 HydrophobicContact CB-CG2 4.22Å; E49-I116 HydrophobicContact CG-CD1 4.24Å; E49-I116 HydrophobicContact CG-CG1 4.42Å; D109-I116 WeakPolarHBondContact O-CD1 3.46Å; L110-I116 HydrophobicContact CD1-CD1 4.41Å; K113-I116 HydrophobicContact CB-CD1 4.04Å; K113-I116 HydrophobicContact CB-CG1 4.23Å; K113-I116 HydrophobicContact CG-CD1 4.27Å; I116-Q118 VanDerWaalsContact C-N 3.3Å; I116-Q118 PolarHBondContact O-N 3.29Å; I116-V119 WeakPolarHBondContact O-CB 3.4Å; I116-V119 PolarHBondContact O-N 3.29Å; I116-V119 VanDerWaalsContact O-N 3.15Å; I116-T120 PolarHBondContact O-N 3.32Å; I116-T120 PolarHBondContact O-OG1 3.42Å
117A97.9Very high97.3Very high8 Ų828.4 Ų28.47%0.06614%0.136CC..Hα-helixtrans-63.6-38.5176.800000111.3K21 R22 D115 V119 T120 Q121K21-A117 HydrophobicContact CB-CB 3.76Å; R22-A117 HydrophobicContact CG-CB 4.39Å; D115-A117 PolarHBondContact O-N 3.01Å; D115-A117 PolarHBondContact OD1-N 3.43Å; A117-V119 VanDerWaalsContact C-N 3.33Å; A117-V119 PolarHBondContact O-N 3.48Å; A117-T120 WeakPolarHBondContact O-CB 3.34Å; A117-T120 PolarHBondContact O-N 3.14Å; A117-Q121 WeakPolarHBondContact O-CG 3.49Å; A117-Q121 PolarHBondContact O-N 3.42Å
118Q98Very high97.2Very high54 Ų5429.9 Ų29.925%0.25214%0.138SC..Hα-helixtrans-64-36174-173.264.710.600112.4F105 D115 I116 Q121 C122F105-Q118 HydrophobicContact CB-CB 4.36Å; F105-Q118 HydrophobicContact CB-CG 3.75Å; D115-Q118 HydrophobicContact CB-CB 4.11Å; D115-Q118 WeakPolarHBondContact O-CB 3.4Å; D115-Q118 PolarHBondContact O-N 3.31Å; D115-Q118 PolarHBondContact OD1-N 2.94Å; D115-Q118 VanDerWaalsContact OD1-N 3.14Å; I116-Q118 VanDerWaalsContact C-N 3.3Å; I116-Q118 PolarHBondContact O-N 3.29Å; Q118-Q121 PolarHBondContact O-N 3.19Å; Q118-C122 WeakPolarHBondContact O-CB 3.44Å; Q118-C122 PolarHBondContact O-N 2.88Å
119V98.7Very high97.1Very high0 Ų028.2 Ų28.20%013%0.128CC..Hα-helixtrans-62.8-46.4174.1-175.60000110.5F105 D109 L110 D115 I116 A117 Q121 C122 I123F105-V119 HydrophobicContact CB-CG2 4.2Å; F105-V119 HydrophobicContact CD1-CB 4.39Å; F105-V119 HydrophobicContact CD1-CG1 4.22Å; F105-V119 HydrophobicContact CD1-CG2 4.32Å; F105-V119 HydrophobicContact CD2-CG2 3.82Å; F105-V119 HydrophobicContact CE1-CG1 4.07Å; F105-V119 HydrophobicContact CE2-CG2 4.27Å; F105-V119 HydrophobicContact CG-CB 4.4Å; F105-V119 HydrophobicContact CG-CG2 3.88Å; F105-V119 HydrophobicContact CZ-CG1 4.35Å; D109-V119 HydrophobicContact CB-CG2 4.25Å; L110-V119 HydrophobicContact CB-CG2 3.86Å; L110-V119 HydrophobicContact CD1-CG1 4.39Å; L110-V119 HydrophobicContact CD1-CG2 4.48Å; L110-V119 HydrophobicContact CD2-CG1 4.44Å; D115-V119 PolarHBondContact O-N 3.05Å; I116-V119 WeakPolarHBondContact O-CB 3.4Å; I116-V119 PolarHBondContact O-N 3.29Å; I116-V119 VanDerWaalsContact O-N 3.15Å; A117-V119 VanDerWaalsContact C-N 3.33Å; A117-V119 PolarHBondContact O-N 3.48Å; V119-Q121 PolarHBondContact O-N 2.94Å; V119-C122 WeakPolarHBondContact O-CB 3.45Å; V119-C122 PolarHBondContact O-N 2.96Å; V119-I123 HydrophobicContact CG1-CD1 4.18Å; V119-I123 WeakPolarHBondContact O-CG1 3.46Å; V119-I123 PolarHBondContact O-N 2.85Å; V119-I123 VanDerWaalsContact O-N 3.12Å
120T98.6Very high97Very high3 Ų327.7 Ų27.72%0.01813%0.126CC..Hα-helixtrans-58.3-49.9176-54.30000110.7Q26 E27 V30 Y48 I116 A117 C122 I123 Y124Q26-T120 HydrophobicContact CB-CG2 3.95Å; E27-T120 HydrophobicContact CG-CG2 4.43Å; V30-T120 HydrophobicContact CG2-CG2 3.99Å; Y48-T120 WeakPolarHBondContact CE1-OG1 3.49Å; Y48-T120 PolarHBondContact OH-OG1 3.03Å; I116-T120 PolarHBondContact O-N 3.32Å; I116-T120 PolarHBondContact O-OG1 3.42Å; A117-T120 WeakPolarHBondContact O-CB 3.34Å; A117-T120 PolarHBondContact O-N 3.14Å; T120-C122 VanDerWaalsContact C-N 3.34Å; T120-C122 PolarHBondContact O-N 3.17Å; T120-I123 PolarHBondContact O-N 3.41Å; T120-I123 VanDerWaalsContact O-N 3.11Å; T120-Y124 HydrophobicContact CG2-CD2 4.06Å; T120-Y124 HydrophobicContact CG2-CE2 4Å; T120-Y124 WeakPolarHBondContact O-CD2 3.41Å; T120-Y124 PolarHBondContact O-N 2.99Å
121Q97.8Very high96.7Very high73 Ų7329.8 Ų29.834%0.34114%0.135SC..Hα-helixtrans-63.2-37.1179.4-67.5-52.7-31.500113.1A117 Q118 V119 I123 Y124 A125A117-Q121 WeakPolarHBondContact O-CG 3.49Å; A117-Q121 PolarHBondContact O-N 3.42Å; Q118-Q121 PolarHBondContact O-N 3.19Å; V119-Q121 PolarHBondContact O-N 2.94Å; Q121-I123 VanDerWaalsContact C-N 3.31Å; Q121-I123 PolarHBondContact O-N 3.39Å; Q121-Y124 CarbonylContact O-C 3.59Å; Q121-Y124 WeakPolarHBondContact O-CB 3.2Å; Q121-Y124 PolarHBondContact O-N 2.79Å; Q121-A125 WeakPolarHBondContact O-CB 3.48Å; Q121-A125 PolarHBondContact O-N 3.49Å
122C98.6Very high96.4Very high0 Ų031.9 Ų31.90%015%0.151CC..Hα-helixtrans-59.7-40.7173.4-1790000112I94 D103 F105 Q118 V119 T120 A125 L126I94-C122 WeakPolarHBondContact CD1-SG 3.23Å; D103-C122 WeakPolarHBondContact O-CA 3.5Å; D103-C122 WeakPolarHBondContact O-CB 3.28Å; F105-C122 HydrophobicContact CB-CB 4.49Å; F105-C122 HydrophobicContact CD1-CB 3.66Å; F105-C122 HydrophobicContact CE1-CB 4.49Å; Q118-C122 WeakPolarHBondContact O-CB 3.44Å; Q118-C122 PolarHBondContact O-N 2.88Å; V119-C122 WeakPolarHBondContact O-CB 3.45Å; V119-C122 PolarHBondContact O-N 2.96Å; T120-C122 VanDerWaalsContact C-N 3.34Å; T120-C122 PolarHBondContact O-N 3.17Å; C122-A125 WeakPolarHBondContact O-CB 3.43Å; C122-A125 PolarHBondContact O-N 3.08Å; C122-L126 PolarHBondContact O-N 3.13Å
123I98.6Very high96.2Very high1 Ų130.3 Ų30.31%0.00514%0.144CC..Hα-helixtrans-72.6-36.3179.2-60.9163.8000110.6V30 W33 L52 L58 V119 T120 Q121 A125 L126 G127 L141V30-I123 HydrophobicContact CG1-CB 4.15Å; V30-I123 HydrophobicContact CG1-CD1 3.71Å; V30-I123 HydrophobicContact CG1-CG2 3.71Å; V30-I123 HydrophobicContact CG2-CB 4.28Å; V30-I123 HydrophobicContact CG2-CG2 4.18Å; W33-I123 HydrophobicContact CE3-CG2 4.01Å; W33-I123 HydrophobicContact CZ3-CG2 3.81Å; L52-I123 HydrophobicContact CD1-CD1 3.83Å; L58-I123 HydrophobicContact CD2-CD1 3.82Å; L58-I123 HydrophobicContact CD2-CG1 4.32Å; V119-I123 HydrophobicContact CG1-CD1 4.18Å; V119-I123 WeakPolarHBondContact O-CG1 3.46Å; V119-I123 PolarHBondContact O-N 2.85Å; V119-I123 VanDerWaalsContact O-N 3.12Å; T120-I123 PolarHBondContact O-N 3.41Å; T120-I123 VanDerWaalsContact O-N 3.11Å; Q121-I123 VanDerWaalsContact C-N 3.31Å; Q121-I123 PolarHBondContact O-N 3.39Å; I123-A125 VanDerWaalsContact C-N 3.32Å; I123-A125 PolarHBondContact O-N 3.33Å; I123-L126 WeakPolarHBondContact O-CB 3.49Å; I123-L126 PolarHBondContact O-N 3.25Å; I123-G127 PolarHBondContact O-N 2.88Å; I123-L141 HydrophobicContact CG2-CD2 3.88Å
124Y98.1Very high96Very high28 Ų2832.6 Ų32.611%0.1117%0.166CC..Hα-helixtrans-60.7-40.2167.6-90-89.8000112.2Q26 S29 V30 T120 Q121 L126 G127 R128 L141Q26-Y124 WeakPolarHBondContact CA-OH 3.36Å; Q26-Y124 HydrophobicContact CB-CE2 3.8Å; Q26-Y124 HydrophobicContact CG-CE2 4.13Å; S29-Y124 WeakPolarHBondContact CB-OH 3.4Å; V30-Y124 HydrophobicContact CG2-CD2 3.88Å; V30-Y124 HydrophobicContact CG2-CE2 3.66Å; T120-Y124 HydrophobicContact CG2-CD2 4.06Å; T120-Y124 HydrophobicContact CG2-CE2 4Å; T120-Y124 WeakPolarHBondContact O-CD2 3.41Å; T120-Y124 PolarHBondContact O-N 2.99Å; Q121-Y124 CarbonylContact O-C 3.59Å; Q121-Y124 WeakPolarHBondContact O-CB 3.2Å; Q121-Y124 PolarHBondContact O-N 2.79Å; Y124-L126 VanDerWaalsContact C-N 3.33Å; Y124-G127 PolarHBondContact O-N 3.41Å; Y124-R128 WeakPolarHBondContact O-CB 3.22Å; Y124-R128 VanDerWaalsContact O-CG 3.23Å; Y124-R128 WeakPolarHBondContact O-CG 3.36Å; Y124-R128 PolarHBondContact O-N 2.87Å; Y124-R128 PolarHBondContact O-NE 3.35Å; Y124-L141 HydrophobicContact CD1-CD1 4.14Å; Y124-L141 HydrophobicContact CD1-CD2 4.41Å; Y124-L141 HydrophobicContact CD1-CG 3.78Å; Y124-L141 HydrophobicContact CD2-CD2 4.34Å; Y124-L141 HydrophobicContact CD2-CG 4.45Å; Y124-L141 HydrophobicContact CE1-CD1 3.65Å; Y124-L141 HydrophobicContact CE1-CG 3.83Å; Y124-L141 HydrophobicContact CE2-CD1 4.14Å; Y124-L141 HydrophobicContact CE2-CG 4.48Å; Y124-L141 HydrophobicContact CG-CD2 4.24Å; Y124-L141 HydrophobicContact CG-CG 4.12Å
125A97.2Very high95.8Very high1 Ų133.1 Ų33.11%0.00817%0.171CC..Hα-helixtrans-62.4-41174.100000111.6V99 D103 Q121 C122 I123 R128 T129V99-A125 HydrophobicContact CG1-CB 3.92Å; D103-A125 HydrophobicContact CB-CB 3.57Å; D103-A125 WeakPolarHBondContact OD2-CB 3.41Å; Q121-A125 WeakPolarHBondContact O-CB 3.48Å; Q121-A125 PolarHBondContact O-N 3.49Å; C122-A125 WeakPolarHBondContact O-CB 3.43Å; C122-A125 PolarHBondContact O-N 3.08Å; I123-A125 VanDerWaalsContact C-N 3.32Å; I123-A125 PolarHBondContact O-N 3.33Å; A125-R128 PolarHBondContact O-N 3Å; A125-T129 WeakPolarHBondContact O-CB 3.38Å; A125-T129 PolarHBondContact O-N 2.65Å; A125-T129 PolarHBondContact O-OG1 3.3Å
126L97.6Very high95.6Very high1 Ų133.8 Ų33.81%0.00517%0.171CC..Hα-helixtrans-60.3-48.9171.7178.961.3000111.7W33 V61 I62 L65 F90 I94 Y97 V99 C122 I123 Y124 R128 T129 C130W33-L126 HydrophobicContact CH2-CD2 4.05Å; W33-L126 HydrophobicContact CH2-CG 4.15Å; W33-L126 HydrophobicContact CZ3-CD2 4.42Å; V61-L126 HydrophobicContact CG1-CD2 4.21Å; I62-L126 HydrophobicContact CD1-CD1 4.16Å; L65-L126 HydrophobicContact CD1-CD1 4.15Å; L65-L126 HydrophobicContact CD1-CD2 4.02Å; L65-L126 HydrophobicContact CD1-CG 4.12Å; F90-L126 HydrophobicContact CE2-CD2 3.98Å; F90-L126 HydrophobicContact CZ-CD2 4.04Å; I94-L126 HydrophobicContact CB-CD1 4.36Å; I94-L126 HydrophobicContact CG2-CD1 3.92Å; I94-L126 HydrophobicContact CG2-CD2 3.94Å; I94-L126 HydrophobicContact CG2-CG 4.44Å; Y97-L126 HydrophobicContact CD1-CD1 3.64Å; Y97-L126 HydrophobicContact CE1-CD1 3.99Å; V99-L126 HydrophobicContact CG2-CB 4.04Å; V99-L126 HydrophobicContact CG2-CD1 3.84Å; C122-L126 PolarHBondContact O-N 3.13Å; I123-L126 WeakPolarHBondContact O-CB 3.49Å; I123-L126 PolarHBondContact O-N 3.25Å; Y124-L126 VanDerWaalsContact C-N 3.33Å; L126-R128 VanDerWaalsContact C-N 3.31Å; L126-R128 PolarHBondContact O-N 3.25Å; L126-T129 CarbonylContact O-C 3.6Å; L126-T129 WeakPolarHBondContact O-CB 3.41Å; L126-T129 PolarHBondContact O-N 3.22Å; L126-T129 VanDerWaalsContact O-N 3.12Å; L126-C130 PolarHBondContact O-N 2.97Å; L126-C130 PolarHBondContact O-SG 2.98Å
127G96.5Very high95.2Very high0 Ų040.8 Ų40.80%021%0.209CC..Hα-helixtrans-59.9-37.6178.100000113.8I123 Y124 Q131I123-G127 PolarHBondContact O-N 2.88Å; Y124-G127 PolarHBondContact O-N 3.41Å; G127-Q131 PolarHBondContact O-NE2 3.12Å
128R95.1Very high94.9Very high59 Ų5942 Ų4222%0.22322%0.222CC..Hα-helixtrans-67.7-42.4172-72.6-175.1-67.4151.42.6112.4D103 Y124 A125 L126 C130 Q131 P143 L145D103-R128 IonicContact OD2-NH2 2.66Å; Y124-R128 WeakPolarHBondContact O-CB 3.22Å; Y124-R128 VanDerWaalsContact O-CG 3.23Å; Y124-R128 WeakPolarHBondContact O-CG 3.36Å; Y124-R128 PolarHBondContact O-N 2.87Å; Y124-R128 PolarHBondContact O-NE 3.35Å; A125-R128 PolarHBondContact O-N 3Å; L126-R128 VanDerWaalsContact C-N 3.31Å; L126-R128 PolarHBondContact O-N 3.25Å; R128-C130 VanDerWaalsContact C-N 3.31Å; R128-C130 PolarHBondContact O-N 2.74Å; R128-Q131 WeakPolarHBondContact O-CB 3.41Å; R128-Q131 PolarHBondContact O-N 2.99Å; R128-Q131 VanDerWaalsContact O-N 3.17Å; R128-P143 WeakPolarHBondContact CD-O 3.35Å; R128-P143 VanDerWaalsContact CG-O 3.28Å; R128-P143 WeakPolarHBondContact CG-O 3.47Å; R128-L145 HydrophobicContact CB-CD1 4.34Å; R128-L145 HydrophobicContact CB-CD2 4.28Å; R128-L145 HydrophobicContact CB-CG 4.04Å
129T94.8Very high94.7Very high7 Ų741.1 Ų41.14%0.04322%0.221CC..Hα-helixtrans-64.8-36.1177.6-54.80000111Y97 V99 A125 L126 Q131 T132 H133Y97-T129 HydrophobicContact CD1-CG2 3.98Å; Y97-T129 HydrophobicContact CE1-CG2 4.23Å; V99-T129 HydrophobicContact CG2-CG2 4.34Å; A125-T129 WeakPolarHBondContact O-CB 3.38Å; A125-T129 PolarHBondContact O-N 2.65Å; A125-T129 PolarHBondContact O-OG1 3.3Å; L126-T129 CarbonylContact O-C 3.6Å; L126-T129 WeakPolarHBondContact O-CB 3.41Å; L126-T129 PolarHBondContact O-N 3.22Å; L126-T129 VanDerWaalsContact O-N 3.12Å; T129-Q131 PolarHBondContact O-N 2.83Å; T129-T132 PolarHBondContact O-N 3.36Å; T129-T132 PolarHBondContact O-OG1 2.94Å; T129-H133 PolarHBondContact O-CD2 3.27Å
130C95.2Very high94.4Very high0 Ų045.6 Ų45.60%025%0.248CC..Hα-helixtrans-55.1-37.7174.4-63.70000111.8L65 L126 R128 T132 H133 Y136L65-C130 VanDerWaalsContact CD1-SG 3.6Å; L126-C130 PolarHBondContact O-N 2.97Å; L126-C130 PolarHBondContact O-SG 2.98Å; R128-C130 VanDerWaalsContact C-N 3.31Å; R128-C130 PolarHBondContact O-N 2.74Å; C130-T132 PolarHBondContact O-N 3.36Å; C130-H133 PolarHBondContact O-N 2.93Å; C130-H133 VanDerWaalsContact O-N 3.16Å; C130-Y136 HydrophobicContact CB-CD1 3.64Å; C130-Y136 HydrophobicContact CB-CD2 3.94Å; C130-Y136 HydrophobicContact CB-CE1 3.54Å; C130-Y136 HydrophobicContact CB-CE2 3.87Å; C130-Y136 HydrophobicContact CB-CG 3.81Å; C130-Y136 WeakPolarHBondContact O-CB 3.33Å; C130-Y136 WeakPolarHBondContact O-CD1 3.4Å
131Q92.9Very high94.2Very high45 Ų4545.8 Ų45.821%0.2125%0.249CC..THydrogen-bonded Turntrans-72.3-8.9-179.5-60.5172.663.300114.2G127 R128 T129 T140G127-Q131 PolarHBondContact O-NE2 3.12Å; R128-Q131 WeakPolarHBondContact O-CB 3.41Å; R128-Q131 PolarHBondContact O-N 2.99Å; R128-Q131 VanDerWaalsContact O-N 3.17Å; T129-Q131 PolarHBondContact O-N 2.83Å; Q131-T140 HydrophobicContact CG-CG2 3.95Å
132T90.8Very high93.7Very high78 Ų7843.6 Ų43.648%0.47925%0.247SC..THydrogen-bonded Turntrans-88.6-15.8173.1670000112.6T129 C130 P134 L145T129-T132 PolarHBondContact O-N 3.36Å; T129-T132 PolarHBondContact O-OG1 2.94Å; C130-T132 PolarHBondContact O-N 3.36Å; T132-P134 WeakPolarHBondContact O-CD 3.49Å; T132-L145 HydrophobicContact CG2-CD1 3.67Å
133H91.3Very high93.1Very high48 Ų4848.4 Ų48.422%0.22228%0.278CS..SBendtrans-85.9116.2177.9-70.5-75.6000109.5Y97 T129 C130 E135 Y136Y97-H133 AromaticContact CD1-NE2 3.86Å; Y97-H133 AromaticContact CE1-CD2 3.53Å; Y97-H133 AromaticContact CE1-NE2 3.61Å; Y97-H133 AromaticContact CE2-CD2 3.92Å; Y97-H133 AromaticContact CE2-NE2 3.78Å; Y97-H133 AromaticContact CZ-CD2 3.34Å; Y97-H133 AromaticContact CZ-NE2 3.57Å; Y97-H133 PolarHBondContact O-CE1 3.28Å; Y97-H133 PolarHBondContact O-NE2 3.39Å; Y97-H133 PolarHBondContact OH-CD2 3.02Å; T129-H133 PolarHBondContact O-CD2 3.27Å; C130-H133 PolarHBondContact O-N 2.93Å; C130-H133 VanDerWaalsContact O-N 3.16Å; H133-E135 IonicContact ND1-OE1 3.98Å; H133-E135 PolarHBondContact O-N 3.46Å; H133-Y136 WeakPolarHBondContact O-CB 3.35Å; H133-Y136 PolarHBondContact O-N 3.14Å
134P89.7Confident92.3Very high123 Ų12354.5 Ų54.580%0.79930%0.304SS*.THydrogen-bonded Turntrans-59.3-27.3-174.6-25.334.6000114.9T132 Y136T132-P134 WeakPolarHBondContact O-CD 3.49Å; P134-Y136 VanDerWaalsContact C-N 3.27Å; P134-Y136 PolarHBondContact O-N 3.45Å
135E90Very high91.4Very high134 Ų13456.5 Ų56.563%0.62632%0.316SS*.THydrogen-bonded Turntrans-76.1-12.9178.270.4-85-158.500113.5H133 N137H133-E135 IonicContact ND1-OE1 3.98Å; H133-E135 PolarHBondContact O-N 3.46Å; E135-N137 PolarHBondContact O-N 2.93Å
136Y92.2Very high90.5Very high37 Ų3761.3 Ų61.315%0.14536%0.356CS..  trans-80.1109.9-174.6-173.1-104.3000112.2L65 C130 H133 P134 G138 P139L65-Y136 HydrophobicContact CD2-CD2 4.18Å; L65-Y136 HydrophobicContact CD2-CE2 3.4Å; C130-Y136 HydrophobicContact CB-CD1 3.64Å; C130-Y136 HydrophobicContact CB-CD2 3.94Å; C130-Y136 HydrophobicContact CB-CE1 3.54Å; C130-Y136 HydrophobicContact CB-CE2 3.87Å; C130-Y136 HydrophobicContact CB-CG 3.81Å; C130-Y136 WeakPolarHBondContact O-CB 3.33Å; C130-Y136 WeakPolarHBondContact O-CD1 3.4Å; H133-Y136 WeakPolarHBondContact O-CB 3.35Å; H133-Y136 PolarHBondContact O-N 3.14Å; P134-Y136 VanDerWaalsContact C-N 3.27Å; P134-Y136 PolarHBondContact O-N 3.45Å; Y136-G138 VanDerWaalsContact CZ-CA 3.47Å; Y136-P139 PolarHBondContact OH-O 3.1Å
137N89.8Confident89.6Confident157 Ų15768.8 Ų68.884%0.8439%0.391SS*.  trans-114.423.8174.1-67.6-40.5000112.5E135E135-N137 PolarHBondContact O-N 2.93Å
138G90.9Very high89Confident32 Ų3276.2 Ų76.233%0.3343%0.426SS..SBendtrans-86.1-178.9-177.900000114.1Y136Y136-G138 VanDerWaalsContact CZ-CA 3.47Å
139P93.6Very high88.4Confident37 Ų3779 Ų7924%0.2445%0.445CS..  trans-62.1142176.229.9-38.2000111.3W33 I36 V37 Y136W33-P139 PolarHBondContact NE1-O 2.89Å; I36-P139 HydrophobicContact CB-CB 4.3Å; I36-P139 HydrophobicContact CB-CG 4.02Å; I36-P139 HydrophobicContact CG2-CB 3.81Å; I36-P139 HydrophobicContact CG2-CG 3.62Å; V37-P139 HydrophobicContact CG2-CG 3.62Å; Y136-P139 PolarHBondContact OH-O 3.1Å
140T92.9Very high87.8Confident93 Ų9385.7 Ų85.757%0.57147%0.474SS*.  trans-88.6150.7176.4580000111.2Q131Q131-T140 HydrophobicContact CG-CG2 3.95Å
141L95Very high87.3Confident7 Ų794.5 Ų94.54%0.03751%0.507CS..  trans-132.3117.2170176.570.5000108.4V30 W33 I123 Y124V30-L141 HydrophobicContact CG2-CD2 3.98Å; W33-L141 HydrophobicContact CB-CB 4.23Å; W33-L141 HydrophobicContact CB-CD1 4.18Å; W33-L141 HydrophobicContact CB-CD2 4.33Å; W33-L141 HydrophobicContact CB-CG 4.48Å; W33-L141 HydrophobicContact CD2-CB 4Å; W33-L141 HydrophobicContact CD2-CD2 4.02Å; W33-L141 HydrophobicContact CE3-CD2 4Å; W33-L141 HydrophobicContact CG-CB 3.71Å; W33-L141 HydrophobicContact CG-CD2 4.18Å; W33-L141 HydrophobicContact CG-CG 4.36Å; I123-L141 HydrophobicContact CG2-CD2 3.88Å; Y124-L141 HydrophobicContact CD1-CD1 4.14Å; Y124-L141 HydrophobicContact CD1-CD2 4.41Å; Y124-L141 HydrophobicContact CD1-CG 3.78Å; Y124-L141 HydrophobicContact CD2-CD2 4.34Å; Y124-L141 HydrophobicContact CD2-CG 4.45Å; Y124-L141 HydrophobicContact CE1-CD1 3.65Å; Y124-L141 HydrophobicContact CE1-CG 3.83Å; Y124-L141 HydrophobicContact CE2-CD1 4.14Å; Y124-L141 HydrophobicContact CE2-CG 4.48Å; Y124-L141 HydrophobicContact CG-CD2 4.24Å; Y124-L141 HydrophobicContact CG-CG 4.12Å
142G86.9Confident87.1Confident28 Ų28100.8 Ų100.829%0.28954%0.536SS..SBendtrans76.5177.4-176.500000114.7
143P85.6Confident87Confident100 Ų100103 Ų10365%0.64954%0.539SS*.PPolyproline II helixtrans-69.8145.2-17629.4-35000111.5R128R128-P143 WeakPolarHBondContact CD-O 3.35Å; R128-P143 VanDerWaalsContact CG-O 3.28Å; R128-P143 WeakPolarHBondContact CG-O 3.47Å
144K81.8Confident87Confident129 Ų129104 Ų10456%0.56155%0.549SS*.PPolyproline II helixtrans-58.5139.5173-171.3178.5178.61790110.5A146K144-A146 PolarHBondContact O-N 3.41Å
145L79.4Confident87.1Confident70 Ų70103.6 Ų103.637%0.36654%0.54SS..PPolyproline II helixtrans-61.7134.1173.3-69.3172.9000110.2R128 T132 Q147R128-L145 HydrophobicContact CB-CD1 4.34Å; R128-L145 HydrophobicContact CB-CD2 4.28Å; R128-L145 HydrophobicContact CB-CG 4.04Å; T132-L145 HydrophobicContact CG2-CD1 3.67Å; L145-Q147 PolarHBondContact O-N 3.42Å
146A79.6Confident87.1Confident103 Ų103102.6 Ų102.685%0.85154%0.536SS*.PPolyproline II helixtrans-62.6132.2176.400000109.5K144K144-A146 PolarHBondContact O-N 3.41Å
147Q77.3Confident86.9Confident157 Ų157105.9 Ų105.973%0.73455%0.552SS**PPolyproline II helixtrans-87.5139.6172-69.5-180-19.400108.9L145 N149L145-Q147 PolarHBondContact O-N 3.42Å; Q147-N149 PolarHBondContact O-N 3.39Å; Q147-N149 VanDerWaalsContact O-N 3.13Å
148E83.4Confident86.9Confident156 Ų156103.1 Ų103.173%0.72954%0.537SS*.PPolyproline II helixtrans-59.4118.4173.6-172.6-174.3-167.500109K150E148-K150 HydrophobicContact CG-CG 3.9Å; E148-K150 WeakPolarHBondContact OE1-CE 3.38Å; E148-K150 WeakPolarHBondContact OE1-CG 3.06Å; E148-K150 WeakPolarHBondContact OE2-CE 2.81Å; E148-K150 IonicContact OE2-NZ 3.41Å
149N82.8Confident86.7Confident117 Ų117108.7 Ų108.763%0.62655%0.548SS*.  trans-100.683.7173.1-173.9-3.2000107.9Q147 R151Q147-N149 PolarHBondContact O-N 3.39Å; Q147-N149 VanDerWaalsContact O-N 3.13Å; N149-R151 PolarHBondContact O-N 2.66Å
150K83.7Confident86.3Confident149 Ų149113 Ų11365%0.64857%0.565SS**  trans-64.4109.2172.8-69.8-169.7-178.6-179.80108.2E148E148-K150 HydrophobicContact CG-CG 3.9Å; E148-K150 WeakPolarHBondContact OE1-CE 3.38Å; E148-K150 WeakPolarHBondContact OE1-CG 3.06Å; E148-K150 WeakPolarHBondContact OE2-CE 2.81Å; E148-K150 IonicContact OE2-NZ 3.41Å
151R84.8Confident85.9Confident184 Ų184110.6 Ų110.669%0.69456%0.559SS**  trans-93.2116.3173.3-67.3176.4178.2-178.9-2.5107.4N149 F153N149-R151 PolarHBondContact O-N 2.66Å; R151-F153 HydrophobicContact CB-CE2 4.16Å; R151-F153 HydrophobicContact CB-CZ 4.22Å
152E87.7Confident85.2Confident178 Ų178114.3 Ų114.383%0.83259%0.59SS**  trans-92.7129.3170.7-64.3-179172.300107.6
153F89.1Confident84.8Confident123 Ų123118.2 Ų118.254%0.53961%0.605SS.*  trans-104.1139.5175-62.9-80.7000108R151 Q157 L158R151-F153 HydrophobicContact CB-CE2 4.16Å; R151-F153 HydrophobicContact CB-CZ 4.22Å; F153-Q157 HydrophobicContact CB-CB 4.4Å; F153-L158 HydrophobicContact CB-CD2 3.94Å; F153-L158 HydrophobicContact CB-CG 4.01Å
154T91.5Very high84.3Confident70 Ų70118.6 Ų118.643%0.42961%0.605SS.*  trans-69.6156174.581.60000110.2E156 Q157 L158T154-E156 VanDerWaalsContact CB-OE2 3.27Å; T154-E156 WeakPolarHBondContact CB-OE2 3.41Å; T154-E156 PolarHBondContact O-N 3.13Å; T154-E156 PolarHBondContact OG1-OE2 3.33Å; T154-Q157 WeakPolarHBondContact O-CB 3.5Å; T154-Q157 PolarHBondContact O-N 3.07Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.28Å; T154-Q157 PolarHBondContact OG1-N 3.23Å; T154-L158 WeakPolarHBondContact O-CG 3.38Å; T154-L158 PolarHBondContact O-N 2.57Å
155D90.8Very high83.8Confident114 Ų114118 Ų11861%0.6161%0.606SS**Hα-helixtrans-59.4-33.2177.3-74.6-29.5000111.9L158 R159D155-L158 PolarHBondContact O-N 3.35Å; D155-R159 WeakPolarHBondContact O-CB 3.04Å; D155-R159 PolarHBondContact O-N 2.89Å
156E89.9Confident83.5Confident114 Ų114117 Ų11753%0.53361%0.606SS.*Hα-helixtrans-64.4-44.2172.8-5878.6-164.600111.4T154 L158 R159 E160T154-E156 VanDerWaalsContact CB-OE2 3.27Å; T154-E156 WeakPolarHBondContact CB-OE2 3.41Å; T154-E156 PolarHBondContact O-N 3.13Å; T154-E156 PolarHBondContact OG1-OE2 3.33Å; E156-L158 VanDerWaalsContact C-N 3.32Å; E156-L158 PolarHBondContact O-N 2.89Å; E156-R159 PolarHBondContact O-N 2.83Å; E156-E160 WeakPolarHBondContact O-CG 3.41Å; E156-E160 PolarHBondContact O-N 3.42Å
157Q89.1Confident83.3Confident106 Ų106119 Ų11950%0.49560%0.602SS.*Hα-helixtrans-62.5-40.9176.7-70.4176.7-3600111.7F153 T154 R159 G161F153-Q157 HydrophobicContact CB-CB 4.4Å; T154-Q157 WeakPolarHBondContact O-CB 3.5Å; T154-Q157 PolarHBondContact O-N 3.07Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.28Å; T154-Q157 PolarHBondContact OG1-N 3.23Å; Q157-R159 VanDerWaalsContact C-N 3.32Å; Q157-G161 PolarHBondContact O-N 3.23Å
158L88.7Confident83.3Confident99 Ų99120.2 Ų120.252%0.51861%0.607SS.*Hα-helixtrans-62.9-40.3175-68.3174000111.4F153 T154 D155 E156 G161 A162F153-L158 HydrophobicContact CB-CD2 3.94Å; F153-L158 HydrophobicContact CB-CG 4.01Å; T154-L158 WeakPolarHBondContact O-CG 3.38Å; T154-L158 PolarHBondContact O-N 2.57Å; D155-L158 PolarHBondContact O-N 3.35Å; E156-L158 VanDerWaalsContact C-N 3.32Å; E156-L158 PolarHBondContact O-N 2.89Å; L158-G161 PolarHBondContact O-N 3.32Å; L158-A162 PolarHBondContact O-N 2.99Å
159R88Confident82.9Confident149 Ų149122.5 Ų122.556%0.56261%0.61SS**Hα-helixtrans-68.5-43.2177.7-166.9179.4-581247.9112.6D155 E156 Q157 G161 A162D155-R159 WeakPolarHBondContact O-CB 3.04Å; D155-R159 PolarHBondContact O-N 2.89Å; E156-R159 PolarHBondContact O-N 2.83Å; Q157-R159 VanDerWaalsContact C-N 3.32Å; R159-G161 VanDerWaalsContact C-N 3.26Å; R159-G161 PolarHBondContact O-N 3.18Å; R159-A162 WeakPolarHBondContact O-CB 3.37Å; R159-A162 PolarHBondContact O-N 3.15Å; R159-A162 VanDerWaalsContact O-N 3.15Å
160E84.1Confident82.2Confident127 Ų127118.8 Ų118.859%0.59360%0.599SS**Hα-helixtrans-62.7-37173.6-71.9-56.6126.200111.2E156 A162 N163E156-E160 WeakPolarHBondContact O-CG 3.41Å; E156-E160 PolarHBondContact O-N 3.42Å; E160-A162 VanDerWaalsContact C-N 3.28Å; E160-A162 PolarHBondContact O-N 3.34Å; E160-N163 PolarHBondContact O-N 3.31Å; E160-N163 VanDerWaalsContact O-N 3.13Å
161G83.9Confident81.6Confident43 Ų43115.1 Ų115.144%0.44359%0.59SS.*Hα-helixtrans-59-35.8173.200000113.4Q157 L158 R159 N163 V164Q157-G161 PolarHBondContact O-N 3.23Å; L158-G161 PolarHBondContact O-N 3.32Å; R159-G161 VanDerWaalsContact C-N 3.26Å; R159-G161 PolarHBondContact O-N 3.18Å; G161-N163 VanDerWaalsContact C-N 3.26Å; G161-N163 PolarHBondContact O-N 3.47Å; G161-V164 WeakPolarHBondContact O-CB 3.39Å; G161-V164 PolarHBondContact O-N 2.91Å
162A81.5Confident80.7Confident84 Ų84112.8 Ų112.869%0.69459%0.591SS**Hα-helixtrans-69.1-23.3177.700000113.3L158 R159 E160 V164L158-A162 PolarHBondContact O-N 2.99Å; R159-A162 WeakPolarHBondContact O-CB 3.37Å; R159-A162 PolarHBondContact O-N 3.15Å; R159-A162 VanDerWaalsContact O-N 3.15Å; E160-A162 VanDerWaalsContact C-N 3.28Å; E160-A162 PolarHBondContact O-N 3.34Å; A162-V164 VanDerWaalsContact C-N 3.33Å
163N77.6Confident79.6Confident110 Ų110113.6 Ų113.659%0.58859%0.592SS**THydrogen-bonded Turntrans-87.3-1.8176.4-64-32.8000112.9E160 G161 I165E160-N163 PolarHBondContact O-N 3.31Å; E160-N163 VanDerWaalsContact O-N 3.13Å; G161-N163 VanDerWaalsContact C-N 3.26Å; G161-N163 PolarHBondContact O-N 3.47Å; N163-I165 PolarHBondContact O-N 3Å; N163-I165 VanDerWaalsContact O-N 3.17Å
164V75.1Confident78.5Confident108 Ų108110.9 Ų110.966%0.65560%0.599SS**  trans-75.4106.1178.3-179.10000109.8G161 A162G161-V164 WeakPolarHBondContact O-CB 3.39Å; G161-V164 PolarHBondContact O-N 2.91Å; A162-V164 VanDerWaalsContact C-N 3.33Å
165I71.4Confident77.1Confident116 Ų116111.8 Ų111.860%0.59561%0.613SS**  trans-72.4126.2170.7-59173000108.3N163N163-I165 PolarHBondContact O-N 3Å; N163-I165 VanDerWaalsContact O-N 3.17Å
166S73.3Confident75.9Confident50 Ų50110.6 Ų110.635%0.3561%0.614SS.*  trans-65.6146.9178.282.90000110.4Q168 Y169S166-Q168 PolarHBondContact O-N 3.14Å; S166-Y169 PolarHBondContact O-N 2.93Å; S166-Y169 VanDerWaalsContact OG-CD2 3.29Å; S166-Y169 WeakPolarHBondContact OG-CD2 3.25Å
167L76.2Confident74.7Confident146 Ų146111.4 Ų111.476%0.76462%0.618SS**G310 helixtrans-53.9-22.4179.9-89.7138000113.6G170 T171L167-G170 PolarHBondContact O-N 3.41Å; L167-T171 HydrophobicContact CD2-CG2 4.36Å
168Q76.1Confident73.6Confident182 Ų182110.4 Ų110.485%0.8563%0.627SS**G310 helixtrans-69.4-30.5176.5-66.8179.9-27.900113.1S166 G170S166-Q168 PolarHBondContact O-N 3.14Å; Q168-G170 VanDerWaalsContact C-N 3.25Å
169Y74.9Confident72.6Confident204 Ų204109.3 Ų109.380%0.864%0.64SS**G310 helixtrans-87.34.7176-69.8-78.6000112.9S166S166-Y169 PolarHBondContact O-N 2.93Å; S166-Y169 VanDerWaalsContact OG-CD2 3.29Å; S166-Y169 WeakPolarHBondContact OG-CD2 3.25Å
170G69.6Low71.6Confident38 Ų38108.2 Ų108.239%0.39264%0.643SS.*  trans104.4167-177.200000112.8L167 Q168L167-G170 PolarHBondContact O-N 3.41Å; Q168-G170 VanDerWaalsContact C-N 3.25Å
171T69.3Low70.8Confident73 Ų73107 Ų10745%0.44864%0.644SS.*  trans-133.2127.4178.6177.80000109.7L167 K173L167-T171 HydrophobicContact CD2-CG2 4.36Å; T171-K173 VanDerWaalsContact C-N 3.32Å; T171-K173 PolarHBondContact OG1-N 2.94Å; T171-K173 VanDerWaalsContact OG1-N 3.14Å
172N65.9Low70.3Confident135 Ų135112.3 Ų112.372%0.72266%0.659SS**SBendtrans-85.4-7.2168.660.3-13.2000112.1G174N172-G174 VanDerWaalsContact C-N 3.29Å; N172-G174 PolarHBondContact O-N 3.2Å
173K65Low70Confident194 Ų194112.4 Ų112.484%0.84367%0.668SS**SBendtrans-74.4-17.4-179.1-67.7-172.6175.7-178.30113.7T171T171-K173 VanDerWaalsContact C-N 3.32Å; T171-K173 PolarHBondContact OG1-N 2.94Å; T171-K173 VanDerWaalsContact OG1-N 3.14Å
174G65.8Low69.7Low67 Ų67115.3 Ų115.369%0.69168%0.676SS**SBendtrans-96.3-24.3178.500000114.7N172 S176N172-G174 VanDerWaalsContact C-N 3.29Å; N172-G174 PolarHBondContact O-N 3.2Å; G174-S176 PolarHBondContact O-N 3.22Å
175A63Low69.4Low88 Ų88119.6 Ų119.673%0.72769%0.689SS**  trans-94.583.8-179.900000109.9
176S65.5Low69.2Low89 Ų89125.1 Ų125.162%0.62270%0.702SS**  trans-92.8126.9169.5-176.70000109.6G174 A178G174-S176 PolarHBondContact O-N 3.22Å; S176-A178 PolarHBondContact O-N 3.39Å; S176-A178 WeakPolarHBondContact OG-CB 3.49Å; S176-A178 PolarHBondContact OG-N 2.86Å; S176-A178 VanDerWaalsContact OG-N 3.12Å
177Q63.7Low68.9Low132 Ų132130.4 Ų130.462%0.61772%0.723SS**  trans-71.21.8166.7-85.6-166.863.400112.7G179 M180Q177-G179 PolarHBondContact O-N 3.44Å; Q177-M180 HydrophobicContact CB-SD 4.27Å; Q177-M180 HydrophobicContact CG-SD 3.72Å; Q177-M180 WeakPolarHBondContact O-CB 3.41Å; Q177-M180 PolarHBondContact O-N 3.15Å
178A66.7Low68.8Low84 Ų84131 Ų13169%0.69473%0.726SS**THydrogen-bonded Turntrans-56.6124.4176.400000110.6S176S176-A178 PolarHBondContact O-N 3.39Å; S176-A178 WeakPolarHBondContact OG-CB 3.49Å; S176-A178 PolarHBondContact OG-N 2.86Å; S176-A178 VanDerWaalsContact OG-N 3.12Å
179G67.3Low68.3Low77 Ų77129.1 Ų129.179%0.79472%0.721SS**THydrogen-bonded Turntrans91.8-6.5-178.900000115.2Q177 T181Q177-G179 PolarHBondContact O-N 3.44Å; G179-T181 PolarHBondContact O-N 3.35Å
180M67.2Low67.6Low126 Ų126130.3 Ų130.362%0.62174%0.741SS**  trans-70.2105171.7-71.1-173.258.900110.3Q177 M182Q177-M180 HydrophobicContact CB-SD 4.27Å; Q177-M180 HydrophobicContact CG-SD 3.72Å; Q177-M180 WeakPolarHBondContact O-CB 3.41Å; Q177-M180 PolarHBondContact O-N 3.15Å; M180-M182 PolarHBondContact O-N 2.93Å
181T67.6Low67.5Low100 Ų100134.9 Ų134.961%0.61376%0.758SS**  trans-88.7101.6172.8-55.10000108.8G179 K184G179-T181 PolarHBondContact O-N 3.35Å; T181-K184 HydrophobicContact CG2-CB 4.34Å; T181-K184 HydrophobicContact CG2-CD 3.97Å; T181-K184 HydrophobicContact CG2-CG 3.92Å
182M73.6Confident67.4Low155 Ų155138.2 Ų138.276%0.76477%0.774SS**THydrogen-bonded Turntrans-73.5132.3173.8-60.2-144.4-151.300110.3M180M180-M182 PolarHBondContact O-N 2.93Å
183G74.3Confident67.5Low86 Ų86138.3 Ų138.389%0.88778%0.777SS**THydrogen-bonded Turntrans94.3-0.3168.900000117.5
184K71.9Confident67.7Low171 Ų171135.1 Ų135.174%0.74377%0.774SS**PPolyproline II helixtrans-83.1134.4167.1-79-168.8177.7-178.80110.8T181 R186T181-K184 HydrophobicContact CG2-CB 4.34Å; T181-K184 HydrophobicContact CG2-CD 3.97Å; T181-K184 HydrophobicContact CG2-CG 3.92Å; K184-R186 PolarHBondContact O-N 2.96Å
185Q69.9Low67.8Low198 Ų198139.3 Ų139.393%0.92578%0.779SS**PPolyproline II helixtrans-55.9128.3167.1-111.5175.2-39.300108.8M187Q185-M187 PolarHBondContact O-N 3.06Å
186R66Low68.1Low232 Ų232142.7 Ų142.788%0.87578%0.782SS**PPolyproline II helixtrans-67119.2173.3-62.7-163.5-160.6-102.25.5107.7K184 I188K184-R186 PolarHBondContact O-N 2.96Å; R186-I188 PolarHBondContact O-N 3.1Å; R186-I188 VanDerWaalsContact O-N 3.17Å
187M67.8Low68.3Low162 Ų162146.6 Ų146.680%0.79879%0.794SS**  trans-74.1104.1173.5-160.6-171.6-74.100107.4Q185 L189Q185-M187 PolarHBondContact O-N 3.06Å; M187-L189 HydrophobicContact CG-CD1 4.14Å; M187-L189 HydrophobicContact CG-CG 4.06Å; M187-L189 HydrophobicContact SD-CD1 3.55Å; M187-L189 VanDerWaalsContact SD-CD1 3.55Å; M187-L189 HydrophobicContact SD-CG 4.13Å
188I73.1Confident68.6Low159 Ų159147.7 Ų147.782%0.81581%0.807SS**  trans-94.994.5167.3-56.9170.8000104.4R186R186-I188 PolarHBondContact O-N 3.1Å; R186-I188 VanDerWaalsContact O-N 3.17Å
189L67Low68.8Low142 Ų142153 Ų15374%0.74382%0.817SS**  trans-88.8130161.6-73.1160.8000105.9M187M187-L189 HydrophobicContact CG-CD1 4.14Å; M187-L189 HydrophobicContact CG-CG 4.06Å; M187-L189 HydrophobicContact SD-CD1 3.55Å; M187-L189 VanDerWaalsContact SD-CD1 3.55Å; M187-L189 HydrophobicContact SD-CG 4.13Å
190D59.9Low68.9Low228 Ų228159.9 Ų159.9100%1.21982%0.819SS**  trans-75.10172.270.6-31.3000112

Retrieved 190 of 190 residues in 49.3 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).