G4VNL7_SCHMA Loading...

Venom protein

AlphaFold DB , UniProt , Accession G4VNL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 134 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.2Low64.5Low193 Ų193137.5 Ų137.595%0.95165%0.649SS**  0-46.70-133.7178-74.100112.9R3 L4 F5M1-R3 PolarHBondContact O-N 2.93Å; M1-L4 PolarHBondContact O-N 3.13Å; M1-F5 PolarHBondContact O-N 3.19Å
2W54.7Low64.9Low228 Ų228138.6 Ų138.686%0.86464%0.644SS**Hα-helixtrans-59.2-39.6179.5-108.536.5000116.1L4 F5 Q6W2-L4 VanDerWaalsContact C-N 3.29Å; W2-L4 PolarHBondContact O-N 2.84Å; W2-F5 PolarHBondContact O-N 3.16Å; W2-Q6 PolarHBondContact O-N 3.23Å; W2-Q6 VanDerWaalsContact O-N 3.11Å
3R60.5Low65.1Low216 Ų216132.6 Ų132.682%0.81563%0.626SS**Hα-helixtrans-65.1-29.7178.1-68.4-173.1178.5-143.60.3113.8M1 N7M1-R3 PolarHBondContact O-N 2.93Å; R3-N7 PolarHBondContact O-N 3.45Å
4L61.1Low65.2Low121 Ų121130.3 Ų130.363%0.63462%0.618SS**Hα-helixtrans-73-39176.5-74.5162.6000111M1 W2 N7 L8M1-L4 PolarHBondContact O-N 3.13Å; W2-L4 VanDerWaalsContact C-N 3.29Å; W2-L4 PolarHBondContact O-N 2.84Å; L4-N7 PolarHBondContact O-N 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.19Å; L4-L8 PolarHBondContact O-N 3.37Å; L4-L8 VanDerWaalsContact O-N 3.11Å
5F60.1Low65.1Low151 Ų151133.9 Ų133.966%0.66263%0.625SS**Hα-helixtrans-64.4-40.2175.2-105.2-90.2000112.6M1 W2 L8 C9M1-F5 PolarHBondContact O-N 3.19Å; W2-F5 PolarHBondContact O-N 3.16Å; F5-L8 PolarHBondContact O-N 2.9Å; F5-C9 PolarHBondContact O-N 3.4Å; F5-C9 VanDerWaalsContact O-N 3.13Å
6Q66.4Low64.8Low122 Ų122131.4 Ų131.457%0.5762%0.616SS**Hα-helixtrans-66.3-40.4179-168.7166.1-10.800112.4W2 C9 I10W2-Q6 PolarHBondContact O-N 3.23Å; W2-Q6 VanDerWaalsContact O-N 3.11Å; Q6-C9 PolarHBondContact O-N 3.31Å; Q6-I10 WeakPolarHBondContact O-CG1 3.45Å; Q6-I10 PolarHBondContact O-N 2.94Å
7N70.3Confident64.5Low99 Ų99130.8 Ų130.853%0.52962%0.619SS.*Hα-helixtrans-68.9-37.3176.7-75-15.2000112.9R3 L4 C9 I10 L11R3-N7 PolarHBondContact O-N 3.45Å; L4-N7 PolarHBondContact O-N 3.3Å; N7-C9 VanDerWaalsContact C-N 3.32Å; N7-C9 PolarHBondContact O-N 2.89Å; N7-I10 PolarHBondContact O-N 3.34Å; N7-L11 PolarHBondContact O-N 3.04Å
8L70Confident64.1Low113 Ų113128.4 Ų128.459%0.59262%0.618SS**Hα-helixtrans-63.3-39175.4-76.9164.5000111.8L4 F5 L11 Y12L4-L8 WeakPolarHBondContact O-CG 3.19Å; L4-L8 PolarHBondContact O-N 3.37Å; L4-L8 VanDerWaalsContact O-N 3.11Å; F5-L8 PolarHBondContact O-N 2.9Å; L8-L11 PolarHBondContact O-N 3.37Å; L8-Y12 WeakPolarHBondContact O-CB 3.42Å; L8-Y12 PolarHBondContact O-N 3.48Å
9C67.4Low63.4Low78 Ų78127.6 Ų127.653%0.52763%0.626SS.*Hα-helixtrans-66.1-42.3177.8-133.50000111.9F5 Q6 N7 Y12 C13F5-C9 PolarHBondContact O-N 3.4Å; F5-C9 VanDerWaalsContact O-N 3.13Å; Q6-C9 PolarHBondContact O-N 3.31Å; N7-C9 VanDerWaalsContact C-N 3.32Å; N7-C9 PolarHBondContact O-N 2.89Å; C9-Y12 PolarHBondContact O-N 3.44Å; C9-C13 WeakPolarHBondContact O-CB 3.5Å; C9-C13 PolarHBondContact O-N 2.94Å; C9-C13 PolarHBondContact O-SG 2.78Å
10I73Confident63Low89 Ų89132.3 Ų132.346%0.45664%0.638SS.*Hα-helixtrans-64.8-44.3177.3-63.9167.8000110.8Q6 N7 Y12 C13 I14Q6-I10 WeakPolarHBondContact O-CG1 3.45Å; Q6-I10 PolarHBondContact O-N 2.94Å; N7-I10 PolarHBondContact O-N 3.34Å; I10-Y12 PolarHBondContact O-N 3.35Å; I10-C13 PolarHBondContact O-N 2.96Å; I10-I14 HydrophobicContact CG2-CD1 3.87Å; I10-I14 HydrophobicContact CG2-CG1 4.45Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 3.34Å
11L67.5Low62.5Low102 Ų102129.9 Ų129.953%0.53464%0.64SS.*Hα-helixtrans-62.5-41.7176.7-80164.2000112.1N7 L8 I14 Y15N7-L11 PolarHBondContact O-N 3.04Å; L8-L11 PolarHBondContact O-N 3.37Å; L11-I14 PolarHBondContact O-N 3.18Å; L11-Y15 WeakPolarHBondContact O-CB 3.36Å; L11-Y15 PolarHBondContact O-N 2.99Å
12Y69.8Low62.3Low151 Ų151126 Ų12659%0.59262%0.623SS**Hα-helixtrans-64.9-41.6175.8-173.2-109.1000111.8L8 C9 I10 I14 Y15 L16L8-Y12 WeakPolarHBondContact O-CB 3.42Å; L8-Y12 PolarHBondContact O-N 3.48Å; C9-Y12 PolarHBondContact O-N 3.44Å; I10-Y12 PolarHBondContact O-N 3.35Å; Y12-I14 PolarHBondContact O-N 2.81Å; Y12-Y15 PolarHBondContact O-N 3.44Å; Y12-L16 HydrophobicContact CD1-CD1 3.74Å; Y12-L16 HydrophobicContact CD1-CG 4.32Å; Y12-L16 HydrophobicContact CE1-CD1 3.17Å; Y12-L16 HydrophobicContact CE1-CG 3.96Å; Y12-L16 HydrophobicContact CE2-CD1 4.3Å; Y12-L16 HydrophobicContact CE2-CG 4.26Å; Y12-L16 VanDerWaalsContact CZ-CD1 3.49Å; Y12-L16 WeakPolarHBondContact O-CB 3.22Å; Y12-L16 WeakPolarHBondContact O-CG 3.49Å; Y12-L16 PolarHBondContact O-N 3.26Å
13C67.7Low62.1Low61 Ų61121.2 Ų121.241%0.41263%0.625SS.*Hα-helixtrans-62-42.4173.4-720000111.7C9 I10 L16 N17C9-C13 WeakPolarHBondContact O-CB 3.5Å; C9-C13 PolarHBondContact O-N 2.94Å; C9-C13 PolarHBondContact O-SG 2.78Å; I10-C13 PolarHBondContact O-N 2.96Å; C13-L16 PolarHBondContact O-N 2.89Å; C13-N17 WeakPolarHBondContact O-CB 3.46Å; C13-N17 PolarHBondContact O-N 3.18Å; C13-N17 PolarHBondContact O-ND2 3Å
14I66.7Low61.9Low100 Ų100117.1 Ų117.151%0.51361%0.614SS.*Hα-helixtrans-64.4-43.4176.4-65.9166.3000110.3I10 L11 Y12 L16 N17 S18I10-I14 HydrophobicContact CG2-CD1 3.87Å; I10-I14 HydrophobicContact CG2-CG1 4.45Å; I10-I14 VanDerWaalsContact O-CG1 3.3Å; I10-I14 WeakPolarHBondContact O-CG1 3.39Å; I10-I14 PolarHBondContact O-N 3.34Å; L11-I14 PolarHBondContact O-N 3.18Å; Y12-I14 PolarHBondContact O-N 2.81Å; I14-L16 PolarHBondContact O-N 3.21Å; I14-N17 PolarHBondContact O-N 3.35Å; I14-S18 PolarHBondContact O-N 3.21Å
15Y63.9Low62Low185 Ų185114.2 Ų114.273%0.72561%0.614SS**Hα-helixtrans-62.4-40.3177.6-108.3-87.4000113L11 Y12L11-Y15 WeakPolarHBondContact O-CB 3.36Å; L11-Y15 PolarHBondContact O-N 2.99Å; Y12-Y15 PolarHBondContact O-N 3.44Å
16L60.1Low62.5Low93 Ų93116.3 Ų116.349%0.48763%0.625SS.*Hα-helixtrans-73.2-36.2177-74.7-178.3000112.8Y12 C13 I14 S18Y12-L16 HydrophobicContact CD1-CD1 3.74Å; Y12-L16 HydrophobicContact CD1-CG 4.32Å; Y12-L16 HydrophobicContact CE1-CD1 3.17Å; Y12-L16 HydrophobicContact CE1-CG 3.96Å; Y12-L16 HydrophobicContact CE2-CD1 4.3Å; Y12-L16 HydrophobicContact CE2-CG 4.26Å; Y12-L16 VanDerWaalsContact CZ-CD1 3.49Å; Y12-L16 WeakPolarHBondContact O-CB 3.22Å; Y12-L16 WeakPolarHBondContact O-CG 3.49Å; Y12-L16 PolarHBondContact O-N 3.26Å; C13-L16 PolarHBondContact O-N 2.89Å; I14-L16 PolarHBondContact O-N 3.21Å; L16-S18 VanDerWaalsContact C-N 3.33Å
17N58.9Low63.3Low122 Ų122119.5 Ų119.565%0.65264%0.638SS**Hα-helixtrans-75.4-20.4-179.9-76.6-71.4000113.1C13 I14 C19C13-N17 WeakPolarHBondContact O-CB 3.46Å; C13-N17 PolarHBondContact O-N 3.18Å; C13-N17 PolarHBondContact O-ND2 3Å; I14-N17 PolarHBondContact O-N 3.35Å; N17-C19 PolarHBondContact O-N 3.05Å
18S56.8Low64.3Low87 Ų87118 Ų11861%0.60863%0.629SS**G310 helixtrans-68.1-17.3175.6-91.20000114.4I14 L16I14-S18 PolarHBondContact O-N 3.21Å; L16-S18 VanDerWaalsContact C-N 3.33Å
19C51.4Low65.5Low114 Ų114115.2 Ų115.277%0.7762%0.619SS**G310 helixtrans-95.2-0.4-177.1-66.10000114.8N17N17-C19 PolarHBondContact O-N 3.05Å
20Y55.9Low66.8Low220 Ų220118.6 Ų118.686%0.86363%0.625SS**G310 helixtrans-101.112174.3-105.2-88.3000113.2D22Y20-D22 PolarHBondContact O-N 3.04Å; Y20-D22 VanDerWaalsContact O-N 3.09Å
21A52.6Low68Low83 Ų83118.4 Ų118.469%0.68663%0.63SS**SBendtrans-73.8100.317300000109.5
22D53.1Low69.4Low111 Ų111118.5 Ų118.559%0.59463%0.627SS**  trans47.392.4161.9-84.1-27.3000117.2Y20 H24Y20-D22 PolarHBondContact O-N 3.04Å; Y20-D22 VanDerWaalsContact O-N 3.09Å; D22-H24 HydrophobicContact CB-CB 4.33Å; D22-H24 PolarHBondContact O-N 3.37Å; D22-H24 IonicContact OD1-CD2 3.07Å; D22-H24 PolarHBondContact OD1-CD2 3.2Å; D22-H24 VanDerWaalsContact OD1-CD2 3.24Å; D22-H24 IonicContact OD1-CE1 3.75Å; D22-H24 PolarHBondContact OD1-CE1 3.12Å; D22-H24 IonicContact OD1-CG 3.48Å; D22-H24 IonicContact OD1-ND1 2.65Å; D22-H24 IonicContact OD1-NE2 2.62Å; D22-H24 PolarHBondContact OD1-NE2 2.98Å; D22-H24 IonicContact OD2-CD2 3.27Å; D22-H24 PolarHBondContact OD2-CD2 3.22Å; D22-H24 IonicContact OD2-NE2 3.79Å; D22-H24 PolarHBondContact OD2-NE2 3.41Å
23S51.8Low70.7Confident128 Ų128114.7 Ų114.790%0.89561%0.614SS**  trans-72.651.3146.277.70000110.2G25S23-G25 VanDerWaalsContact C-N 3.33Å; S23-G25 PolarHBondContact O-N 3.05Å; S23-G25 VanDerWaalsContact O-N 3.1Å
24H56Low72.1Confident129 Ų129115.4 Ų115.460%0.59761%0.613SS**  trans-68.4105.8154.3-69.8-40.4000104.1D22D22-H24 HydrophobicContact CB-CB 4.33Å; D22-H24 PolarHBondContact O-N 3.37Å; D22-H24 IonicContact OD1-CD2 3.07Å; D22-H24 PolarHBondContact OD1-CD2 3.2Å; D22-H24 VanDerWaalsContact OD1-CD2 3.24Å; D22-H24 IonicContact OD1-CE1 3.75Å; D22-H24 PolarHBondContact OD1-CE1 3.12Å; D22-H24 IonicContact OD1-CG 3.48Å; D22-H24 IonicContact OD1-ND1 2.65Å; D22-H24 IonicContact OD1-NE2 2.62Å; D22-H24 PolarHBondContact OD1-NE2 2.98Å; D22-H24 IonicContact OD2-CD2 3.27Å; D22-H24 PolarHBondContact OD2-CD2 3.22Å; D22-H24 IonicContact OD2-NE2 3.79Å; D22-H24 PolarHBondContact OD2-NE2 3.41Å
25G61.8Low73.6Confident60 Ų60116 Ų11662%0.61962%0.617SS**  trans-46.6158.217800000111.4S23 K27S23-G25 VanDerWaalsContact C-N 3.33Å; S23-G25 PolarHBondContact O-N 3.05Å; S23-G25 VanDerWaalsContact O-N 3.1Å; G25-K27 PolarHBondContact O-N 3.23Å
26E70.6Confident75.2Confident195 Ų195107.8 Ų107.891%0.91159%0.587SS**  trans-40.4120.9-178.1-84.7-171.6142.400111L28E26-L28 PolarHBondContact O-N 3.45Å; E26-L28 VanDerWaalsContact O-N 3.13Å
27K84.3Confident76.9Confident190 Ų190105.4 Ų105.483%0.82658%0.576SS**PPolyproline II helixtrans-62.9121.5179.7-71.8-178.5179175.20107.6G25 S29G25-K27 PolarHBondContact O-N 3.23Å; K27-S29 PolarHBondContact O-N 3.33Å
28L90.9Very high78.8Confident67 Ų67106 Ų10635%0.35158%0.575SS.*PPolyproline II helixtrans-52.2139.6171.8-63-179.9000109.6E26 E32 F33 C36 C96E26-L28 PolarHBondContact O-N 3.45Å; E26-L28 VanDerWaalsContact O-N 3.13Å; L28-E32 HydrophobicContact CB-CB 3.95Å; L28-E32 HydrophobicContact CD2-CB 4.14Å; L28-E32 HydrophobicContact CG-CB 4.46Å; L28-F33 HydrophobicContact CB-CB 4.1Å; L28-C36 HydrophobicContact CD1-CB 4Å; L28-C96 HydrophobicContact CD1-CB 4.45Å
29S95.2Very high80.7Confident54 Ų54107 Ų10738%0.37857%0.57SS.*PPolyproline II helixtrans-59.8158.3164.869.10000109.5K27 P31 E32 F33K27-S29 PolarHBondContact O-N 3.33Å; S29-P31 VanDerWaalsContact C-N 3.34Å; S29-E32 WeakPolarHBondContact CB-OE2 3.49Å; S29-E32 PolarHBondContact N-OE2 2.97Å; S29-E32 PolarHBondContact O-N 3.33Å; S29-E32 VanDerWaalsContact O-N 3.08Å; S29-E32 VanDerWaalsContact OG-CG 3.29Å; S29-E32 WeakPolarHBondContact OG-CG 3.46Å; S29-E32 PolarHBondContact OG-OE2 3.33Å; S29-F33 WeakPolarHBondContact O-CB 3.43Å; S29-F33 PolarHBondContact O-N 2.98Å
30K95Very high82.9Confident149 Ų149101.5 Ų101.565%0.64853%0.533SS*.Hα-helixtrans-53.3-45.4179.6-178.8-177.9-176.4-55.40112.9E32 F33 D34K30-E32 PolarHBondContact O-N 3.43Å; K30-F33 PolarHBondContact O-N 2.92Å; K30-D34 IonicContact NZ-OD1 3.24Å; K30-D34 IonicContact NZ-OD2 3.81Å; K30-D34 PolarHBondContact NZ-OD2 2.96Å; K30-D34 WeakPolarHBondContact O-CB 3.42Å; K30-D34 VanDerWaalsContact O-CG 3.23Å; K30-D34 PolarHBondContact O-N 3.07Å
31P97.9Very high84.9Confident86 Ų8692.3 Ų92.356%0.55851%0.505SS*.Hα-helixtrans-60.8-41.2176-24.935.7000113.6S29 D34 L35S29-P31 VanDerWaalsContact C-N 3.34Å; P31-D34 PolarHBondContact O-N 2.95Å; P31-L35 WeakPolarHBondContact O-CG 3.34Å; P31-L35 PolarHBondContact O-N 3.45Å
32E97.2Very high87Confident103 Ų10391.6 Ų91.648%0.48150%0.495SS..Hα-helixtrans-67.1-40.3178-69.6164.7140.400111.5L28 S29 K30 L35 C36L28-E32 HydrophobicContact CB-CB 3.95Å; L28-E32 HydrophobicContact CD2-CB 4.14Å; L28-E32 HydrophobicContact CG-CB 4.46Å; S29-E32 WeakPolarHBondContact CB-OE2 3.49Å; S29-E32 PolarHBondContact N-OE2 2.97Å; S29-E32 PolarHBondContact O-N 3.33Å; S29-E32 VanDerWaalsContact O-N 3.08Å; S29-E32 VanDerWaalsContact OG-CG 3.29Å; S29-E32 WeakPolarHBondContact OG-CG 3.46Å; S29-E32 PolarHBondContact OG-OE2 3.33Å; K30-E32 PolarHBondContact O-N 3.43Å; E32-L35 PolarHBondContact O-N 3.13Å; E32-C36 WeakPolarHBondContact O-CB 3.29Å; E32-C36 PolarHBondContact O-N 3.2Å
33F96.3Very high89.1Confident72 Ų7288.5 Ų88.532%0.31648%0.477SS..Hα-helixtrans-62.2-46174.8-177.4-96.3000111.6L28 S29 K30 L35 C36 V37 C96 A98L28-F33 HydrophobicContact CB-CB 4.1Å; S29-F33 WeakPolarHBondContact O-CB 3.43Å; S29-F33 PolarHBondContact O-N 2.98Å; K30-F33 PolarHBondContact O-N 2.92Å; F33-L35 VanDerWaalsContact C-N 3.32Å; F33-L35 PolarHBondContact O-N 2.56Å; F33-C36 PolarHBondContact O-N 2.7Å; F33-V37 HydrophobicContact CD1-CG2 4.04Å; F33-V37 HydrophobicContact CE1-CG2 3.57Å; F33-V37 HydrophobicContact CE2-CG2 4.11Å; F33-V37 HydrophobicContact CZ-CG2 3.61Å; F33-V37 WeakPolarHBondContact O-CG2 3.44Å; F33-V37 PolarHBondContact O-N 3.42Å; F33-C96 HydrophobicContact CD2-CB 4.09Å; F33-C96 HydrophobicContact CE2-CB 3.9Å; F33-A98 HydrophobicContact CE2-CB 3.68Å; F33-A98 HydrophobicContact CZ-CB 3.99Å
34D97.5Very high91.2Very high75 Ų7584.7 Ų84.740%0.40144%0.443SS..Hα-helixtrans-61.2-42.2178.4-70.5-23.8000111.1K30 P31 Q38K30-D34 IonicContact NZ-OD1 3.24Å; K30-D34 IonicContact NZ-OD2 3.81Å; K30-D34 PolarHBondContact NZ-OD2 2.96Å; K30-D34 WeakPolarHBondContact O-CB 3.42Å; K30-D34 VanDerWaalsContact O-CG 3.23Å; K30-D34 PolarHBondContact O-N 3.07Å; P31-D34 PolarHBondContact O-N 2.95Å; D34-Q38 WeakPolarHBondContact O-CB 3.42Å; D34-Q38 PolarHBondContact O-N 2.87Å
35L97.9Very high93Very high113 Ų11383.3 Ų83.359%0.59244%0.437SS*.Hα-helixtrans-64.1-43174.7-73.2172.9000112P31 E32 F33 Q38 E39P31-L35 WeakPolarHBondContact O-CG 3.34Å; P31-L35 PolarHBondContact O-N 3.45Å; E32-L35 PolarHBondContact O-N 3.13Å; F33-L35 VanDerWaalsContact C-N 3.32Å; F33-L35 PolarHBondContact O-N 2.56Å; L35-Q38 WeakPolarHBondContact O-CB 3.49Å; L35-Q38 PolarHBondContact O-N 3.09Å; L35-E39 PolarHBondContact O-N 3.33Å
36C97.4Very high94.6Very high13 Ų1385.8 Ų85.89%0.08843%0.433CS..Hα-helixtrans-62.1-47177-176.50000111.8L28 E32 F33 Q38 E39 C40 K95 C96L28-C36 HydrophobicContact CD1-CB 4Å; E32-C36 WeakPolarHBondContact O-CB 3.29Å; E32-C36 PolarHBondContact O-N 3.2Å; F33-C36 PolarHBondContact O-N 2.7Å; C36-Q38 VanDerWaalsContact C-N 3.27Å; C36-Q38 PolarHBondContact O-N 3.43Å; C36-E39 WeakPolarHBondContact O-CB 3.09Å; C36-E39 PolarHBondContact O-N 3.27Å; C36-C40 PolarHBondContact O-N 3.36Å; C36-K95 PolarHBondContact SG-O 3.21Å; C36-K95 VanDerWaalsContact SG-O 3.41Å; C36-C96 HydrophobicContact CB-CB 3.94Å; C36-C96 WeakPolarHBondContact CB-SG 3.36Å; C36-C96 WeakPolarHBondContact SG-CA 3.21Å; C36-C96 WeakPolarHBondContact SG-CB 3.33Å; C36-C96 PolarHBondContact SG-N 2.98Å; C36-C96 VanDerWaalsContact SG-N 3.37Å; C36-C96 CovalentContact SG-SG 2.04Å; C36-C96 PolarHBondContact SG-SG 2.6Å
37V97Very high95.8Very high43 Ų4379.2 Ų79.226%0.26141%0.408SS..Hα-helixtrans-63.2-36.7177.1171.40000111F33 C40 G41 F88F33-V37 HydrophobicContact CD1-CG2 4.04Å; F33-V37 HydrophobicContact CE1-CG2 3.57Å; F33-V37 HydrophobicContact CE2-CG2 4.11Å; F33-V37 HydrophobicContact CZ-CG2 3.61Å; F33-V37 WeakPolarHBondContact O-CG2 3.44Å; F33-V37 PolarHBondContact O-N 3.42Å; V37-C40 PolarHBondContact O-N 3.31Å; V37-G41 PolarHBondContact O-N 3.37Å; V37-F88 HydrophobicContact CG1-CZ 4.14Å
38Q97.8Very high96.3Very high135 Ų13571 Ų7163%0.63137%0.374SS*.Hα-helixtrans-63.5-44174.4-178.4178.1-10.300112D34 L35 C36 G41 S42D34-Q38 WeakPolarHBondContact O-CB 3.42Å; D34-Q38 PolarHBondContact O-N 2.87Å; L35-Q38 WeakPolarHBondContact O-CB 3.49Å; L35-Q38 PolarHBondContact O-N 3.09Å; C36-Q38 VanDerWaalsContact C-N 3.27Å; C36-Q38 PolarHBondContact O-N 3.43Å; Q38-G41 CarbonylContact O-C 3.59Å; Q38-G41 WeakPolarHBondContact O-CA 3.39Å; Q38-G41 PolarHBondContact O-N 2.83Å; Q38-S42 PolarHBondContact O-N 3.14Å; Q38-S42 PolarHBondContact O-OG 3.19Å
39E97.9Very high96.5Very high106 Ų10671.4 Ų71.450%0.49537%0.373SS..Hα-helixtrans-58.5-48.9175.1-173-168.215200111.1L35 C36 G41 S42 Q43 K95L35-E39 PolarHBondContact O-N 3.33Å; C36-E39 WeakPolarHBondContact O-CB 3.09Å; C36-E39 PolarHBondContact O-N 3.27Å; E39-G41 PolarHBondContact O-N 3.02Å; E39-S42 WeakPolarHBondContact O-CB 3.48Å; E39-S42 PolarHBondContact O-N 3.18Å; E39-S42 VanDerWaalsContact O-N 3.09Å; E39-Q43 PolarHBondContact O-N 2.03Å; E39-K95 IonicContact OE1-NZ 3.21Å; E39-K95 PolarHBondContact OE1-NZ 2.83Å
40C97.8Very high96.2Very high0 Ų073.2 Ų73.20%039%0.391CS..Hα-helixtrans-60.9-34.3173.9-66.10000111.9C36 V37 S42 Q43 Y44 F88 C91 V92C36-C40 PolarHBondContact O-N 3.36Å; V37-C40 PolarHBondContact O-N 3.31Å; C40-S42 VanDerWaalsContact C-N 3.31Å; C40-S42 PolarHBondContact O-N 3Å; C40-Q43 WeakPolarHBondContact O-CB 3.44Å; C40-Q43 PolarHBondContact O-N 3.49Å; C40-Y44 PolarHBondContact O-N 2.89Å; C40-F88 HydrophobicContact CB-CD2 3.74Å; C40-F88 HydrophobicContact CB-CE2 3.65Å; C40-F88 WeakPolarHBondContact O-CD2 3.28Å; C40-C91 WeakPolarHBondContact CA-SG 2.96Å; C40-C91 HydrophobicContact CB-CB 3.69Å; C40-C91 WeakPolarHBondContact CB-SG 3.03Å; C40-C91 WeakPolarHBondContact SG-CB 3.34Å; C40-C91 CovalentContact SG-SG 2.04Å; C40-C91 PolarHBondContact SG-SG 3.25Å; C40-V92 HydrophobicContact CB-CG2 3.77Å
41G96.6Very high96Very high27 Ų2766.3 Ų66.328%0.27836%0.361SS..Hα-helixtrans-60.8-36.6174.200000113V37 Q38 E39 Y44 E45V37-G41 PolarHBondContact O-N 3.37Å; Q38-G41 CarbonylContact O-C 3.59Å; Q38-G41 WeakPolarHBondContact O-CA 3.39Å; Q38-G41 PolarHBondContact O-N 2.83Å; E39-G41 PolarHBondContact O-N 3.02Å; G41-Y44 WeakPolarHBondContact O-CB 3.41Å; G41-Y44 PolarHBondContact O-N 3.11Å; G41-E45 PolarHBondContact O-N 3.35Å
42S97.7Very high95.7Very high68 Ų6868.6 Ų68.648%0.47636%0.359SS..Hα-helixtrans-65.2-39.7174.1-60.10000112.3Q38 E39 C40 Y44 E45 E46Q38-S42 PolarHBondContact O-N 3.14Å; Q38-S42 PolarHBondContact O-OG 3.19Å; E39-S42 WeakPolarHBondContact O-CB 3.48Å; E39-S42 PolarHBondContact O-N 3.18Å; E39-S42 VanDerWaalsContact O-N 3.09Å; C40-S42 VanDerWaalsContact C-N 3.31Å; C40-S42 PolarHBondContact O-N 3Å; S42-Y44 VanDerWaalsContact C-N 3.34Å; S42-Y44 PolarHBondContact O-N 2.99Å; S42-E45 PolarHBondContact O-N 3.46Å; S42-E46 PolarHBondContact O-N 3.34Å
43Q96.1Very high95.3Very high45 Ų4566.1 Ų66.121%0.2136%0.361CS..Hα-helixtrans-62.1-42173.1179.6-176-48.200111.6E39 C40 E46 C47 S84 T85 S87E39-Q43 PolarHBondContact O-N 2.03Å; C40-Q43 WeakPolarHBondContact O-CB 3.44Å; C40-Q43 PolarHBondContact O-N 3.49Å; Q43-E46 PolarHBondContact O-N 3.13Å; Q43-C47 PolarHBondContact O-N 3.22Å; Q43-S84 PolarHBondContact NE2-O 2.99Å; Q43-S84 VanDerWaalsContact NE2-O 3.13Å; Q43-T85 PolarHBondContact NE2-O 3.4Å; Q43-T85 VanDerWaalsContact NE2-O 3.11Å; Q43-S87 PolarHBondContact NE2-O 3.49Å
44Y95.8Very high95.1Very high48 Ų4864.3 Ų64.319%0.18836%0.355CS..Hα-helixtrans-62-43.7174.3177.3-104000112.1C40 G41 S42 E46 C47 S48 M69 C72 C73 F88C40-Y44 PolarHBondContact O-N 2.89Å; G41-Y44 WeakPolarHBondContact O-CB 3.41Å; G41-Y44 PolarHBondContact O-N 3.11Å; S42-Y44 VanDerWaalsContact C-N 3.34Å; S42-Y44 PolarHBondContact O-N 2.99Å; Y44-E46 VanDerWaalsContact C-N 3.34Å; Y44-E46 PolarHBondContact O-N 2.91Å; Y44-C47 PolarHBondContact O-N 3.37Å; Y44-S48 WeakPolarHBondContact O-CB 3.47Å; Y44-S48 PolarHBondContact O-N 2.96Å; Y44-M69 HydrophobicContact CE1-CE 3.91Å; Y44-M69 WeakPolarHBondContact OH-CE 2.99Å; Y44-C72 HydrophobicContact CD2-CB 3.75Å; Y44-C72 HydrophobicContact CE2-CB 3.75Å; Y44-C73 HydrophobicContact CD2-CB 4.4Å; Y44-C73 HydrophobicContact CE2-CB 3.82Å; Y44-F88 HydrophobicContact CD2-CB 4.14Å; Y44-F88 HydrophobicContact CG-CB 4.47Å
45E94.5Very high94.6Very high101 Ų10163.2 Ų63.247%0.47235%0.345SS..Hα-helixtrans-60-45.9177.3-170.9-177.6163.600110.9G41 S42 C47 S48 K49 R52G41-E45 PolarHBondContact O-N 3.35Å; S42-E45 PolarHBondContact O-N 3.46Å; E45-C47 PolarHBondContact O-N 3.49Å; E45-S48 PolarHBondContact O-N 3.27Å; E45-S48 VanDerWaalsContact O-N 3.13Å; E45-S48 PolarHBondContact O-OG 3.05Å; E45-K49 WeakPolarHBondContact O-CG 3.37Å; E45-K49 PolarHBondContact O-N 3.47Å; E45-R52 IonicContact OE1-NH2 3.2Å; E45-R52 PolarHBondContact OE1-NH2 3.39Å
46E96.3Very high94Very high112 Ų11268.6 Ų68.652%0.52336%0.357SS..Hα-helixtrans-57.7-49.6176.4-86.5-59.4169.400112.4S42 Q43 Y44 S48 K49S42-E46 PolarHBondContact O-N 3.34Å; Q43-E46 PolarHBondContact O-N 3.13Å; Y44-E46 VanDerWaalsContact C-N 3.34Å; Y44-E46 PolarHBondContact O-N 2.91Å; E46-S48 PolarHBondContact O-N 3.4Å; E46-K49 VanDerWaalsContact CD-CE 3.41Å; E46-K49 WeakPolarHBondContact O-CB 3.38Å; E46-K49 PolarHBondContact O-N 2.73Å; E46-K49 WeakPolarHBondContact OE1-CE 3.43Å; E46-K49 IonicContact OE1-NZ 2.56Å; E46-K49 PolarHBondContact OE1-NZ 3.47Å; E46-K49 WeakPolarHBondContact OE2-CD 3.14Å; E46-K49 WeakPolarHBondContact OE2-CE 3.14Å; E46-K49 IonicContact OE2-NZ 3.13Å; E46-K49 PolarHBondContact OE2-NZ 3.24Å; E46-K49 VanDerWaalsContact OE2-NZ 3.13Å
47C95.5Very high93.5Very high57 Ų5770.4 Ų70.439%0.38537%0.366SS..Hα-helixtrans-57.1-37.8176.7-1770000112.1Q43 Y44 E45 K49 C72Q43-C47 PolarHBondContact O-N 3.22Å; Y44-C47 PolarHBondContact O-N 3.37Å; E45-C47 PolarHBondContact O-N 3.49Å; C47-K49 VanDerWaalsContact C-N 3.29Å; C47-K49 PolarHBondContact O-N 2.9Å; C47-C72 HydrophobicContact CB-CB 3.63Å; C47-C72 WeakPolarHBondContact CB-SG 3.36Å; C47-C72 PolarHBondContact O-SG 2.99Å; C47-C72 WeakPolarHBondContact SG-CA 3.35Å; C47-C72 WeakPolarHBondContact SG-CB 3.39Å; C47-C72 CovalentContact SG-SG 2.03Å; C47-C72 PolarHBondContact SG-SG 3.39Å
48S94Very high93Very high18 Ų1869.9 Ų69.913%0.12636%0.361CS..Hα-helixtrans-73.9-13.9-179.680.70000114.4Y44 E45 E46 A50 I51Y44-S48 WeakPolarHBondContact O-CB 3.47Å; Y44-S48 PolarHBondContact O-N 2.96Å; E45-S48 PolarHBondContact O-N 3.27Å; E45-S48 VanDerWaalsContact O-N 3.13Å; E45-S48 PolarHBondContact O-OG 3.05Å; E46-S48 PolarHBondContact O-N 3.4Å; S48-A50 PolarHBondContact O-N 3.22Å; S48-I51 WeakPolarHBondContact O-CG1 3.49Å; S48-I51 PolarHBondContact O-N 3.24Å; S48-I51 VanDerWaalsContact O-N 3.12Å
49K94.5Very high92.4Very high74 Ų7466.7 Ų66.732%0.32235%0.346SS..G310 helixtrans-60.5-33-177.1-66.4-162.9-1721660112.9E45 E46 C47 I51 R52E45-K49 WeakPolarHBondContact O-CG 3.37Å; E45-K49 PolarHBondContact O-N 3.47Å; E46-K49 VanDerWaalsContact CD-CE 3.41Å; E46-K49 WeakPolarHBondContact O-CB 3.38Å; E46-K49 PolarHBondContact O-N 2.73Å; E46-K49 WeakPolarHBondContact OE1-CE 3.43Å; E46-K49 IonicContact OE1-NZ 2.56Å; E46-K49 PolarHBondContact OE1-NZ 3.47Å; E46-K49 WeakPolarHBondContact OE2-CD 3.14Å; E46-K49 WeakPolarHBondContact OE2-CE 3.14Å; E46-K49 IonicContact OE2-NZ 3.13Å; E46-K49 PolarHBondContact OE2-NZ 3.24Å; E46-K49 VanDerWaalsContact OE2-NZ 3.13Å; C47-K49 VanDerWaalsContact C-N 3.29Å; C47-K49 PolarHBondContact O-N 2.9Å; K49-I51 PolarHBondContact O-N 3.29Å; K49-R52 WeakPolarHBondContact O-CB 3.21Å; K49-R52 WeakPolarHBondContact O-CG 3.49Å; K49-R52 PolarHBondContact O-N 3.3Å
50A89Confident92.1Very high92 Ų9269.8 Ų69.876%0.7636%0.357SS*.G310 helixtrans-56.8-23.717900000113.4S48S48-A50 PolarHBondContact O-N 3.22Å
51I92.6Very high91.8Very high5 Ų571.2 Ų71.23%0.02637%0.365CS..G310 helixtrans-107.99.6-179.361.9158.2000114.1S48 K49 G53 L54 W55 I65 V68 M69S48-I51 WeakPolarHBondContact O-CG1 3.49Å; S48-I51 PolarHBondContact O-N 3.24Å; S48-I51 VanDerWaalsContact O-N 3.12Å; K49-I51 PolarHBondContact O-N 3.29Å; I51-G53 PolarHBondContact O-N 2.86Å; I51-G53 VanDerWaalsContact O-N 3.16Å; I51-L54 HydrophobicContact CB-CB 4.37Å; I51-L54 HydrophobicContact CB-CD1 3.86Å; I51-L54 HydrophobicContact CB-CG 4.18Å; I51-L54 HydrophobicContact CG2-CD1 3.67Å; I51-L54 HydrophobicContact CG2-CG 4.43Å; I51-L54 WeakPolarHBondContact O-CB 3.37Å; I51-L54 PolarHBondContact O-N 2.89Å; I51-W55 HydrophobicContact CD1-CZ2 4.04Å; I51-I65 HydrophobicContact CD1-CB 4.33Å; I51-I65 HydrophobicContact CD1-CG1 4.37Å; I51-I65 HydrophobicContact CD1-CG2 3.97Å; I51-V68 HydrophobicContact CD1-CB 4.36Å; I51-V68 HydrophobicContact CD1-CG1 4.43Å; I51-V68 HydrophobicContact CG1-CG1 4.4Å; I51-V68 HydrophobicContact CG2-CB 3.71Å; I51-V68 HydrophobicContact CG2-CG1 3.68Å; I51-V68 HydrophobicContact CG2-CG2 3.68Å; I51-M69 HydrophobicContact CD1-CG 3.63Å; I51-M69 HydrophobicContact CD1-SD 3.72Å
52R89.9Confident91.6Very high133 Ų13374.6 Ų74.650%0.50237%0.372SS..G310 helixtrans-51.4-42.2-179.9-83.9175.6178.7-175-2.8112.6E45 K49 L54 W55E45-R52 IonicContact OE1-NH2 3.2Å; E45-R52 PolarHBondContact OE1-NH2 3.39Å; K49-R52 WeakPolarHBondContact O-CB 3.21Å; K49-R52 WeakPolarHBondContact O-CG 3.49Å; K49-R52 PolarHBondContact O-N 3.3Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.4Å; R52-W55 PolarHBondContact O-N 3.05Å
53G89.9Confident91.4Very high52 Ų5280.5 Ų80.554%0.53639%0.389SS..G310 helixtrans-65.5-29177.700000114.2I51 W55 R56I51-G53 PolarHBondContact O-N 2.86Å; I51-G53 VanDerWaalsContact O-N 3.16Å; G53-W55 VanDerWaalsContact C-N 3.29Å; G53-W55 PolarHBondContact O-N 3.31Å; G53-R56 PolarHBondContact O-N 3.46Å
54L91.2Very high91.4Very high34 Ų3483.4 Ų83.418%0.17840%0.403CS..G310 helixtrans-69.3-27.7-176.7-60.2-173.3000112.6I51 R52 R56 N57 N61 Q64 I65I51-L54 HydrophobicContact CB-CB 4.37Å; I51-L54 HydrophobicContact CB-CD1 3.86Å; I51-L54 HydrophobicContact CB-CG 4.18Å; I51-L54 HydrophobicContact CG2-CD1 3.67Å; I51-L54 HydrophobicContact CG2-CG 4.43Å; I51-L54 WeakPolarHBondContact O-CB 3.37Å; I51-L54 PolarHBondContact O-N 2.89Å; R52-L54 VanDerWaalsContact C-N 3.3Å; R52-L54 PolarHBondContact O-N 3.4Å; L54-R56 PolarHBondContact O-N 3.41Å; L54-N57 CarbonylContact O-C 3.39Å; L54-N57 PolarHBondContact O-N 2.98Å; L54-N61 HydrophobicContact CB-CB 3.91Å; L54-N61 HydrophobicContact CD2-CB 4.4Å; L54-N61 PolarHBondContact O-ND2 2.92Å; L54-Q64 HydrophobicContact CD1-CB 4.18Å; L54-Q64 VanDerWaalsContact CD1-CD 3.41Å; L54-Q64 HydrophobicContact CD1-CG 3.64Å; L54-I65 HydrophobicContact CB-CD1 3.95Å; L54-I65 HydrophobicContact CB-CG1 3.69Å; L54-I65 HydrophobicContact CD1-CG1 4.23Å
55W87.5Confident91.3Very high52 Ų5281.1 Ų81.120%0.19739%0.394CS..G310 helixtrans-63.6-24.3-178.7-66.399.6000113.9I51 R52 G53 N57 F58 I65 M69 I105 K107I51-W55 HydrophobicContact CD1-CZ2 4.04Å; R52-W55 PolarHBondContact O-N 3.05Å; G53-W55 VanDerWaalsContact C-N 3.29Å; G53-W55 PolarHBondContact O-N 3.31Å; W55-N57 VanDerWaalsContact C-N 3.3Å; W55-N57 PolarHBondContact O-N 3.23Å; W55-F58 AromaticContact CE3-CD2 3.69Å; W55-F58 HydrophobicContact CE3-CD2 3.69Å; W55-F58 HydrophobicContact CE3-CE2 4.21Å; W55-F58 AromaticContact CZ3-CD2 3.67Å; W55-F58 HydrophobicContact CZ3-CD2 3.67Å; W55-F58 AromaticContact CZ3-CE2 3.69Å; W55-F58 HydrophobicContact CZ3-CE2 3.69Å; W55-F58 PolarHBondContact O-N 3.45Å; W55-I65 HydrophobicContact CD2-CD1 4.17Å; W55-I65 HydrophobicContact CD2-CG2 4.42Å; W55-I65 HydrophobicContact CE3-CD1 4.12Å; W55-I65 HydrophobicContact CE3-CG2 4.3Å; W55-I65 HydrophobicContact CH2-CG2 3.37Å; W55-I65 HydrophobicContact CZ2-CG2 3.5Å; W55-I65 VanDerWaalsContact CZ2-CG2 3.5Å; W55-I65 HydrophobicContact CZ3-CG2 3.79Å; W55-M69 HydrophobicContact CH2-CE 4.42Å; W55-M69 HydrophobicContact CZ2-CE 3.96Å; W55-M69 HydrophobicContact CZ2-CG 4.21Å; W55-M69 HydrophobicContact CZ2-SD 4.22Å; W55-I105 HydrophobicContact CH2-CG2 3.94Å; W55-K107 HydrophobicContact CE3-CB 4.37Å; W55-K107 HydrophobicContact CE3-CD 4.34Å; W55-K107 HydrophobicContact CE3-CG 4.09Å; W55-K107 HydrophobicContact CZ3-CB 3.99Å; W55-K107 HydrophobicContact CZ3-CG 4.22Å
56R85.6Confident91.3Very high225 Ų22578.9 Ų78.985%0.84938%0.384SS*.G310 helixtrans-58.2-42.2177.2-68.6-175.8-179.5-179.4-0.3111.8G53 L54G53-R56 PolarHBondContact O-N 3.46Å; L54-R56 PolarHBondContact O-N 3.41Å
57N86.5Confident91.2Very high51 Ų5181.3 Ų81.327%0.27339%0.393SS..G310 helixtrans-115.964.4172.1-165.4-23.1000110L54 W55 Q59 K60 N61L54-N57 CarbonylContact O-C 3.39Å; L54-N57 PolarHBondContact O-N 2.98Å; W55-N57 VanDerWaalsContact C-N 3.3Å; W55-N57 PolarHBondContact O-N 3.23Å; N57-Q59 PolarHBondContact O-N 3.31Å; N57-K60 HydrophobicContact CB-CB 4.34Å; N57-K60 VanDerWaalsContact CG-CB 3.47Å; N57-K60 PolarHBondContact O-N 2.96Å; N57-K60 WeakPolarHBondContact OD1-CB 3.32Å; N57-K60 PolarHBondContact OD1-N 3.3Å; N57-N61 WeakPolarHBondContact O-CB 3.47Å; N57-N61 PolarHBondContact O-N 3.28Å; N57-N61 PolarHBondContact O-ND2 2.92Å; N57-N61 VanDerWaalsContact O-ND2 3.13Å
58F86Confident91.2Very high33 Ų3380.5 Ų80.515%0.14539%0.386CS..Hα-helixtrans-52.7-41.1-176.5173.8-100.9000112.6W55 N61 K62 I65 K107W55-F58 AromaticContact CE3-CD2 3.69Å; W55-F58 HydrophobicContact CE3-CD2 3.69Å; W55-F58 HydrophobicContact CE3-CE2 4.21Å; W55-F58 AromaticContact CZ3-CD2 3.67Å; W55-F58 HydrophobicContact CZ3-CD2 3.67Å; W55-F58 AromaticContact CZ3-CE2 3.69Å; W55-F58 HydrophobicContact CZ3-CE2 3.69Å; W55-F58 PolarHBondContact O-N 3.45Å; F58-N61 CarbonylContact O-C 3.37Å; F58-N61 PolarHBondContact O-N 3.02Å; F58-K62 HydrophobicContact CE1-CD 4.25Å; F58-K62 HydrophobicContact CE1-CG 4.29Å; F58-K62 HydrophobicContact CE2-CG 4.42Å; F58-K62 HydrophobicContact CZ-CD 4.25Å; F58-K62 HydrophobicContact CZ-CG 3.95Å; F58-K62 WeakPolarHBondContact O-CA 3.24Å; F58-K62 VanDerWaalsContact O-CB 3.29Å; F58-K62 WeakPolarHBondContact O-CB 3.45Å; F58-K62 PolarHBondContact O-N 2.04Å; F58-I65 HydrophobicContact CD2-CD1 3.64Å; F58-I65 HydrophobicContact CE2-CD1 4.31Å; F58-I65 HydrophobicContact CE2-CG2 4.35Å; F58-K107 HydrophobicContact CB-CD 4.04Å; F58-K107 HydrophobicContact CD1-CD 4.43Å; F58-K107 HydrophobicContact CD2-CD 4.27Å; F58-K107 HydrophobicContact CG-CD 3.99Å
59Q85.5Confident91.2Very high68 Ų6880.4 Ų80.432%0.31838%0.384SS..Hα-helixtrans-64.9-47.3-177.3-61.8-56.7-26.300111.9N57 N61 Y120N57-Q59 PolarHBondContact O-N 3.31Å; Q59-N61 VanDerWaalsContact C-N 3.3Å; Q59-N61 PolarHBondContact O-N 3.11Å; Q59-Y120 HydrophobicContact CG-CD2 4.36Å; Q59-Y120 HydrophobicContact CG-CG 4.25Å
60K91Very high91.2Very high170 Ų17080.1 Ų80.174%0.73939%0.386SS*.Hα-helixtrans-63.6-38.5176.5-174179.4178.6-179.80111.7N57N57-K60 HydrophobicContact CB-CB 4.34Å; N57-K60 VanDerWaalsContact CG-CB 3.47Å; N57-K60 PolarHBondContact O-N 2.96Å; N57-K60 WeakPolarHBondContact OD1-CB 3.32Å; N57-K60 PolarHBondContact OD1-N 3.3Å
61N92.7Very high91.6Very high31 Ų3178 Ų7817%0.16637%0.365CS..Hα-helixtrans-97.33.2-172-58.4-37000113.9L54 N57 F58 Q59 K63 Q64 I65L54-N61 HydrophobicContact CB-CB 3.91Å; L54-N61 HydrophobicContact CD2-CB 4.4Å; L54-N61 PolarHBondContact O-ND2 2.92Å; N57-N61 WeakPolarHBondContact O-CB 3.47Å; N57-N61 PolarHBondContact O-N 3.28Å; N57-N61 PolarHBondContact O-ND2 2.92Å; N57-N61 VanDerWaalsContact O-ND2 3.13Å; F58-N61 CarbonylContact O-C 3.37Å; F58-N61 PolarHBondContact O-N 3.02Å; Q59-N61 VanDerWaalsContact C-N 3.3Å; Q59-N61 PolarHBondContact O-N 3.11Å; N61-K63 VanDerWaalsContact C-N 3.31Å; N61-K63 PolarHBondContact O-N 3.03Å; N61-Q64 WeakPolarHBondContact O-CB 2.99Å; N61-Q64 PolarHBondContact O-N 2.62Å; N61-I65 HydrophobicContact CB-CD1 3.97Å; N61-I65 HydrophobicContact CB-CG1 4.22Å; N61-I65 WeakPolarHBondContact O-CG1 3.49Å; N61-I65 PolarHBondContact O-N 3.13Å
62K91.5Very high91.8Very high98 Ų9877.8 Ų77.843%0.42636%0.364SS..Hα-helixtrans-51.7-47.9-169.9-177.5178.3176.9-1780112.4F58 Q64 I65 M66F58-K62 HydrophobicContact CE1-CD 4.25Å; F58-K62 HydrophobicContact CE1-CG 4.29Å; F58-K62 HydrophobicContact CE2-CG 4.42Å; F58-K62 HydrophobicContact CZ-CD 4.25Å; F58-K62 HydrophobicContact CZ-CG 3.95Å; F58-K62 WeakPolarHBondContact O-CA 3.24Å; F58-K62 VanDerWaalsContact O-CB 3.29Å; F58-K62 WeakPolarHBondContact O-CB 3.45Å; F58-K62 PolarHBondContact O-N 2.04Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-Q64 PolarHBondContact O-N 3.43Å; K62-I65 PolarHBondContact O-N 3.05Å; K62-M66 HydrophobicContact CG-CG 4.29Å; K62-M66 WeakPolarHBondContact O-CB 3.42Å; K62-M66 VanDerWaalsContact O-CG 3.24Å; K62-M66 WeakPolarHBondContact O-CG 3.05Å; K62-M66 PolarHBondContact O-N 3.09Å
63K94Very high92.1Very high191 Ų19171.7 Ų71.783%0.8334%0.342SS*.Hα-helixtrans-59.9-43.7-179.8-70.1-176.4178.2-179.60111.8N61 K67N61-K63 VanDerWaalsContact C-N 3.31Å; N61-K63 PolarHBondContact O-N 3.03Å; K63-K67 WeakPolarHBondContact O-CB 3.45Å; K63-K67 PolarHBondContact O-N 3.02Å
64Q95.3Very high92.4Very high106 Ų10671.2 Ų71.250%0.49533%0.327SS..Hα-helixtrans-69-43.6179.6-172.3178.12.200111.5L54 N61 K62 K67 V68L54-Q64 HydrophobicContact CD1-CB 4.18Å; L54-Q64 VanDerWaalsContact CD1-CD 3.41Å; L54-Q64 HydrophobicContact CD1-CG 3.64Å; N61-Q64 WeakPolarHBondContact O-CB 2.99Å; N61-Q64 PolarHBondContact O-N 2.62Å; K62-Q64 VanDerWaalsContact C-N 3.33Å; K62-Q64 PolarHBondContact O-N 3.43Å; Q64-K67 PolarHBondContact O-N 3.01Å; Q64-V68 WeakPolarHBondContact O-CG2 3.39Å; Q64-V68 PolarHBondContact O-N 3.31Å
65I94.5Very high92.7Very high0 Ų076.6 Ų76.60%035%0.345CS..Hα-helixtrans-57-52.7174.7-69.8170.2000110.1I51 L54 W55 F58 N61 K62 K67 V68 M69I51-I65 HydrophobicContact CD1-CB 4.33Å; I51-I65 HydrophobicContact CD1-CG1 4.37Å; I51-I65 HydrophobicContact CD1-CG2 3.97Å; L54-I65 HydrophobicContact CB-CD1 3.95Å; L54-I65 HydrophobicContact CB-CG1 3.69Å; L54-I65 HydrophobicContact CD1-CG1 4.23Å; W55-I65 HydrophobicContact CD2-CD1 4.17Å; W55-I65 HydrophobicContact CD2-CG2 4.42Å; W55-I65 HydrophobicContact CE3-CD1 4.12Å; W55-I65 HydrophobicContact CE3-CG2 4.3Å; W55-I65 HydrophobicContact CH2-CG2 3.37Å; W55-I65 HydrophobicContact CZ2-CG2 3.5Å; W55-I65 VanDerWaalsContact CZ2-CG2 3.5Å; W55-I65 HydrophobicContact CZ3-CG2 3.79Å; F58-I65 HydrophobicContact CD2-CD1 3.64Å; F58-I65 HydrophobicContact CE2-CD1 4.31Å; F58-I65 HydrophobicContact CE2-CG2 4.35Å; N61-I65 HydrophobicContact CB-CD1 3.97Å; N61-I65 HydrophobicContact CB-CG1 4.22Å; N61-I65 WeakPolarHBondContact O-CG1 3.49Å; N61-I65 PolarHBondContact O-N 3.13Å; K62-I65 PolarHBondContact O-N 3.05Å; I65-K67 VanDerWaalsContact C-N 3.31Å; I65-K67 PolarHBondContact O-N 3.46Å; I65-V68 PolarHBondContact O-N 3.2Å; I65-M69 HydrophobicContact CG2-CG 4.14Å; I65-M69 WeakPolarHBondContact O-CB 3.4Å; I65-M69 WeakPolarHBondContact O-CG 2.9Å; I65-M69 PolarHBondContact O-N 2.96Å
66M93.8Very high93.1Very high54 Ų5475.2 Ų75.227%0.26635%0.347SS..Hα-helixtrans-61.6-39.4-179.5-67.2-55.2-61.100112K62 N70 I105K62-M66 HydrophobicContact CG-CG 4.29Å; K62-M66 WeakPolarHBondContact O-CB 3.42Å; K62-M66 VanDerWaalsContact O-CG 3.24Å; K62-M66 WeakPolarHBondContact O-CG 3.05Å; K62-M66 PolarHBondContact O-N 3.09Å; M66-N70 WeakPolarHBondContact O-CB 3.49Å; M66-N70 PolarHBondContact O-N 2.83Å; M66-N70 PolarHBondContact O-ND2 3.18Å; M66-I105 HydrophobicContact CE-CB 4.07Å; M66-I105 HydrophobicContact CE-CD1 3.41Å; M66-I105 VanDerWaalsContact CE-CD1 3.41Å; M66-I105 HydrophobicContact CE-CG1 4.33Å; M66-I105 HydrophobicContact SD-CB 4.07Å; M66-I105 HydrophobicContact SD-CD1 3.95Å; M66-I105 HydrophobicContact SD-CG2 4.11Å
67K94.7Very high93.5Very high164 Ų16467.5 Ų67.571%0.71332%0.32SS*.Hα-helixtrans-60.1-49.5176.5-178.4179.1178.21800111.6K63 Q64 I65 S71K63-K67 WeakPolarHBondContact O-CB 3.45Å; K63-K67 PolarHBondContact O-N 3.02Å; Q64-K67 PolarHBondContact O-N 3.01Å; I65-K67 VanDerWaalsContact C-N 3.31Å; I65-K67 PolarHBondContact O-N 3.46Å; K67-S71 WeakPolarHBondContact O-CB 3.4Å; K67-S71 PolarHBondContact O-N 3.11Å
68V95.3Very high93.7Very high40 Ų4068.4 Ų68.424%0.24234%0.342CS..Hα-helixtrans-68.5-45.6-179176.20000110.9I51 Q64 I65 N70 S71 C72I51-V68 HydrophobicContact CD1-CB 4.36Å; I51-V68 HydrophobicContact CD1-CG1 4.43Å; I51-V68 HydrophobicContact CG1-CG1 4.4Å; I51-V68 HydrophobicContact CG2-CB 3.71Å; I51-V68 HydrophobicContact CG2-CG1 3.68Å; I51-V68 HydrophobicContact CG2-CG2 3.68Å; Q64-V68 WeakPolarHBondContact O-CG2 3.39Å; Q64-V68 PolarHBondContact O-N 3.31Å; I65-V68 PolarHBondContact O-N 3.2Å; V68-N70 PolarHBondContact O-N 2.96Å; V68-S71 CarbonylContact O-C 3.52Å; V68-S71 WeakPolarHBondContact O-CA 3.43Å; V68-S71 WeakPolarHBondContact O-CB 3.43Å; V68-S71 PolarHBondContact O-N 3.05Å; V68-S71 VanDerWaalsContact O-N 3.09Å; V68-C72 PolarHBondContact O-N 3.38Å; V68-C72 PolarHBondContact O-SG 3.28Å; V68-C72 VanDerWaalsContact O-SG 3.33Å
69M94.9Very high94.1Very high16 Ų1670 Ų708%0.07935%0.351CS..Hα-helixtrans-61.3-44179.1-67.4-64.7-90.100111.6Y44 I51 W55 I65 S71 C72 C73 I105Y44-M69 HydrophobicContact CE1-CE 3.91Å; Y44-M69 WeakPolarHBondContact OH-CE 2.99Å; I51-M69 HydrophobicContact CD1-CG 3.63Å; I51-M69 HydrophobicContact CD1-SD 3.72Å; W55-M69 HydrophobicContact CH2-CE 4.42Å; W55-M69 HydrophobicContact CZ2-CE 3.96Å; W55-M69 HydrophobicContact CZ2-CG 4.21Å; W55-M69 HydrophobicContact CZ2-SD 4.22Å; I65-M69 HydrophobicContact CG2-CG 4.14Å; I65-M69 WeakPolarHBondContact O-CB 3.4Å; I65-M69 WeakPolarHBondContact O-CG 2.9Å; I65-M69 PolarHBondContact O-N 2.96Å; M69-S71 VanDerWaalsContact C-N 3.3Å; M69-S71 PolarHBondContact O-N 3.05Å; M69-C72 PolarHBondContact O-N 2.93Å; M69-C73 WeakPolarHBondContact O-CB 2.9Å; M69-C73 PolarHBondContact O-N 3.36Å; M69-I105 HydrophobicContact CB-CD1 3.29Å; M69-I105 HydrophobicContact CB-CG1 3.85Å; M69-I105 HydrophobicContact CB-CG2 4.41Å; M69-I105 HydrophobicContact CE-CG2 4.09Å; M69-I105 HydrophobicContact CG-CD1 4.3Å; M69-I105 HydrophobicContact CG-CG2 4.25Å
70N94.7Very high94.5Very high68 Ų6872.9 Ų72.936%0.36437%0.365SS..Hα-helixtrans-61.1-39.3174.2-75.7-14.4000111.9M66 V68 C73 L74 I105M66-N70 WeakPolarHBondContact O-CB 3.49Å; M66-N70 PolarHBondContact O-N 2.83Å; M66-N70 PolarHBondContact O-ND2 3.18Å; V68-N70 PolarHBondContact O-N 2.96Å; N70-C73 PolarHBondContact O-N 2.8Å; N70-L74 PolarHBondContact O-N 2.64Å; N70-I105 WeakPolarHBondContact OD1-CD1 3.21Å
71S95.6Very high94.8Very high46 Ų4669.4 Ų69.432%0.32236%0.362SS..Hα-helixtrans-63.2-47.7174-177.50000111.7K67 V68 M69 C73 R75K67-S71 WeakPolarHBondContact O-CB 3.4Å; K67-S71 PolarHBondContact O-N 3.11Å; V68-S71 CarbonylContact O-C 3.52Å; V68-S71 WeakPolarHBondContact O-CA 3.43Å; V68-S71 WeakPolarHBondContact O-CB 3.43Å; V68-S71 PolarHBondContact O-N 3.05Å; V68-S71 VanDerWaalsContact O-N 3.09Å; M69-S71 VanDerWaalsContact C-N 3.3Å; M69-S71 PolarHBondContact O-N 3.05Å; S71-C73 PolarHBondContact O-N 3.34Å; S71-R75 WeakPolarHBondContact O-CB 3.44Å; S71-R75 PolarHBondContact O-N 3.18Å
72C96.9Very high95Very high1 Ų170.9 Ų70.91%0.00737%0.368CS..Hα-helixtrans-61.2-28.9177.1-65.80000112.6Y44 C47 V68 M69 S87 F88Y44-C72 HydrophobicContact CD2-CB 3.75Å; Y44-C72 HydrophobicContact CE2-CB 3.75Å; C47-C72 HydrophobicContact CB-CB 3.63Å; C47-C72 WeakPolarHBondContact CB-SG 3.36Å; C47-C72 PolarHBondContact O-SG 2.99Å; C47-C72 WeakPolarHBondContact SG-CA 3.35Å; C47-C72 WeakPolarHBondContact SG-CB 3.39Å; C47-C72 CovalentContact SG-SG 2.03Å; C47-C72 PolarHBondContact SG-SG 3.39Å; V68-C72 PolarHBondContact O-N 3.38Å; V68-C72 PolarHBondContact O-SG 3.28Å; V68-C72 VanDerWaalsContact O-SG 3.33Å; M69-C72 PolarHBondContact O-N 2.93Å; C72-S87 WeakPolarHBondContact O-CA 3.29Å; C72-S87 WeakPolarHBondContact O-CB 3.4Å; C72-F88 PolarHBondContact O-N 3.28Å
73C96.6Very high95.3Very high6 Ų669.5 Ų69.54%0.04137%0.369CS..Hα-helixtrans-88.2-48.6-174-158.20000113.1Y44 M69 N70 S71 A89 C103Y44-C73 HydrophobicContact CD2-CB 4.4Å; Y44-C73 HydrophobicContact CE2-CB 3.82Å; M69-C73 WeakPolarHBondContact O-CB 2.9Å; M69-C73 PolarHBondContact O-N 3.36Å; N70-C73 PolarHBondContact O-N 2.8Å; S71-C73 PolarHBondContact O-N 3.34Å; C73-A89 VanDerWaalsContact O-CB 3.25Å; C73-A89 WeakPolarHBondContact O-CB 3.39Å; C73-A89 PolarHBondContact O-N 2.98Å; C73-C103 HydrophobicContact CB-CB 3.67Å; C73-C103 WeakPolarHBondContact CB-SG 3.34Å; C73-C103 WeakPolarHBondContact SG-CB 3.34Å; C73-C103 CovalentContact SG-SG 2.04Å; C73-C103 PolarHBondContact SG-SG 3.13Å
74L96.7Very high95.4Very high41 Ų4161.9 Ų61.922%0.21534%0.34CS..Hα-helixtrans-122.81.7-164-58.6176.2000114.2N70 G76 Q77 A89 L100 C103N70-L74 PolarHBondContact O-N 2.64Å; L74-G76 PolarHBondContact O-N 3.11Å; L74-Q77 VanDerWaalsContact O-CB 3.25Å; L74-Q77 WeakPolarHBondContact O-CB 3.16Å; L74-Q77 PolarHBondContact O-N 3.08Å; L74-Q77 VanDerWaalsContact O-N 3.11Å; L74-A89 HydrophobicContact CD2-CB 4.4Å; L74-L100 HydrophobicContact CD2-CB 4.27Å; L74-C103 HydrophobicContact CD1-CB 4.18Å; L74-C103 HydrophobicContact CG-CB 4.27Å
75R96.8Very high95.5Very high148 Ų14861.5 Ų61.556%0.55835%0.345SS*.THydrogen-bonded Turntrans-62123.7-178.3-177.6179.6-177.3168-1.2110.6S71 Q77 L86 S87S71-R75 WeakPolarHBondContact O-CB 3.44Å; S71-R75 PolarHBondContact O-N 3.18Å; R75-Q77 VanDerWaalsContact C-N 3.32Å; R75-L86 HydrophobicContact CB-CG 4.45Å; R75-L86 HydrophobicContact CG-CD1 4.23Å; R75-L86 HydrophobicContact CG-CD2 4Å; R75-L86 HydrophobicContact CG-CG 4.02Å; R75-S87 VanDerWaalsContact O-CB 3.23Å; R75-S87 WeakPolarHBondContact O-CB 3.41Å; R75-S87 PolarHBondContact O-OG 3.39Å
76G95.8Very high95.6Very high23 Ų2363.5 Ų63.524%0.23736%0.355CS..THydrogen-bonded Turntrans78.68.8-179.600000115.2L74 G78 D79 R93L74-G76 PolarHBondContact O-N 3.11Å; G76-G78 VanDerWaalsContact C-N 3.3Å; G76-G78 PolarHBondContact O-N 3.39Å; G76-D79 PolarHBondContact O-N 2.95Å; G76-R93 PolarHBondContact O-NH1 2.87Å
77Q94.4Very high95.8Very high63 Ų6361 Ų6129%0.29434%0.343SS..THydrogen-bonded Turntrans-50.1-44.9-178.3176.6-171.97.600113.9L74 R75 A89 L100L74-Q77 VanDerWaalsContact O-CB 3.25Å; L74-Q77 WeakPolarHBondContact O-CB 3.16Å; L74-Q77 PolarHBondContact O-N 3.08Å; L74-Q77 VanDerWaalsContact O-N 3.11Å; R75-Q77 VanDerWaalsContact C-N 3.32Å; Q77-A89 HydrophobicContact CB-CB 3.86Å; Q77-A89 HydrophobicContact CG-CB 4.05Å; Q77-L100 PolarHBondContact NE2-O 3.34Å
78G91.5Very high95.9Very high70 Ų7054.9 Ų54.972%0.72232%0.317SS*.THydrogen-bonded Turntrans-87.4-7.5-179.400000115.2G76G76-G78 VanDerWaalsContact C-N 3.3Å; G76-G78 PolarHBondContact O-N 3.39Å
79D95Very high96Very high65 Ų6553.1 Ų53.135%0.34831%0.306SS..  trans-104.5103-177.4179.62.1000109.6G76 S81 Q82 R93G76-D79 PolarHBondContact O-N 2.95Å; D79-S81 VanDerWaalsContact CG-OG 3.28Å; D79-S81 PolarHBondContact O-N 2.86Å; D79-S81 WeakPolarHBondContact OD1-CB 3.38Å; D79-S81 PolarHBondContact OD1-N 3.42Å; D79-S81 PolarHBondContact OD1-OG 3.39Å; D79-S81 PolarHBondContact OD2-OG 3.32Å; D79-Q82 HydrophobicContact CB-CG 3.76Å; D79-Q82 WeakPolarHBondContact O-CB 3.35Å; D79-Q82 PolarHBondContact O-N 2.04Å; D79-Q82 VanDerWaalsContact O-N 3.17Å; D79-Q82 WeakPolarHBondContact OD2-CG 3.44Å; D79-Q82 PolarHBondContact OD2-NE2 3.37Å; D79-R93 PolarHBondContact O-NH1 2.04Å
80H93.4Very high96.2Very high130 Ų13052.3 Ų52.360%0.60230%0.302SS*.THydrogen-bonded Turntrans-72.2-7.2-177.7-6973.4000113.4Q82H80-Q82 VanDerWaalsContact C-N 3.34Å
81S96.3Very high96.3Very high97 Ų9749.1 Ų49.168%0.67829%0.285SS*.THydrogen-bonded Turntrans-82.7-13.4171.374.70000113.2D79D79-S81 VanDerWaalsContact CG-OG 3.28Å; D79-S81 PolarHBondContact O-N 2.86Å; D79-S81 WeakPolarHBondContact OD1-CB 3.38Å; D79-S81 PolarHBondContact OD1-N 3.42Å; D79-S81 PolarHBondContact OD1-OG 3.39Å; D79-S81 PolarHBondContact OD2-OG 3.32Å
82Q97.4Very high96.4Very high62 Ų6247.1 Ų47.129%0.2927%0.271SS..SBendtrans-74.4142.1-178.9-64.7-60.5-35.400111.6D79 H80 L86 T90 R93D79-Q82 HydrophobicContact CB-CG 3.76Å; D79-Q82 WeakPolarHBondContact O-CB 3.35Å; D79-Q82 PolarHBondContact O-N 2.04Å; D79-Q82 VanDerWaalsContact O-N 3.17Å; D79-Q82 WeakPolarHBondContact OD2-CG 3.44Å; D79-Q82 PolarHBondContact OD2-NE2 3.37Å; H80-Q82 VanDerWaalsContact C-N 3.34Å; Q82-L86 HydrophobicContact CB-CD2 3.7Å; Q82-L86 HydrophobicContact CG-CD2 3.74Å; Q82-L86 VanDerWaalsContact OE1-CD2 3.32Å; Q82-T90 HydrophobicContact CB-CG2 4.08Å; Q82-R93 PolarHBondContact O-NH2 2.87Å
83P97.5Very high96.3Very high69 Ų6948.3 Ų48.345%0.44828%0.275SS..  trans-69.4149.1-179.530.2-35.3000111.2T85 L86 T90P83-T85 PolarHBondContact O-N 3.44Å; P83-L86 HydrophobicContact CG-CB 4.32Å; P83-L86 VanDerWaalsContact O-CB 3.29Å; P83-L86 WeakPolarHBondContact O-CB 3.25Å; P83-L86 PolarHBondContact O-N 3.03Å; P83-T90 WeakPolarHBondContact O-CB 3.46Å; P83-T90 PolarHBondContact O-OG1 3.41Å
84S96.8Very high96.2Very high30 Ų3051.9 Ų51.921%0.2129%0.294CS..G310 helixtrans-53.6-29.2176.161.70000113.4Q43 L86 T90 C91 D94Q43-S84 PolarHBondContact NE2-O 2.99Å; Q43-S84 VanDerWaalsContact NE2-O 3.13Å; S84-L86 VanDerWaalsContact C-N 3.26Å; S84-L86 PolarHBondContact O-N 2.93Å; S84-T90 PolarHBondContact O-OG1 3.06Å; S84-C91 WeakPolarHBondContact O-CA 3.29Å; S84-C91 WeakPolarHBondContact O-CB 3.23Å; S84-C91 PolarHBondContact O-N 2.88Å; S84-C91 VanDerWaalsContact O-N 3.11Å; S84-D94 WeakPolarHBondContact CA-OD2 3.36Å; S84-D94 WeakPolarHBondContact CB-OD2 3.42Å; S84-D94 PolarHBondContact N-OD2 3.22Å
85T97.2Very high96.2Very high98 Ų9854.2 Ų54.260%0.60130%0.302SS*.G310 helixtrans-74.6-5.2179.760.60000115.2Q43 P83Q43-T85 PolarHBondContact NE2-O 3.4Å; Q43-T85 VanDerWaalsContact NE2-O 3.11Å; P83-T85 PolarHBondContact O-N 3.44Å
86L97.3Very high96.1Very high43 Ų4347.7 Ų47.723%0.22528%0.279CS..G310 helixtrans-72.8-44.2-173.6-178.562.9000113.5R75 Q82 P83 S84 T90R75-L86 HydrophobicContact CB-CG 4.45Å; R75-L86 HydrophobicContact CG-CD1 4.23Å; R75-L86 HydrophobicContact CG-CD2 4Å; R75-L86 HydrophobicContact CG-CG 4.02Å; Q82-L86 HydrophobicContact CB-CD2 3.7Å; Q82-L86 HydrophobicContact CG-CD2 3.74Å; Q82-L86 VanDerWaalsContact OE1-CD2 3.32Å; P83-L86 HydrophobicContact CG-CB 4.32Å; P83-L86 VanDerWaalsContact O-CB 3.29Å; P83-L86 WeakPolarHBondContact O-CB 3.25Å; P83-L86 PolarHBondContact O-N 3.03Å; S84-L86 VanDerWaalsContact C-N 3.26Å; S84-L86 PolarHBondContact O-N 2.93Å; L86-T90 HydrophobicContact CB-CG2 4.27Å; L86-T90 HydrophobicContact CD2-CG2 4.46Å
87S97Very high96Very high2 Ų250 Ų501%0.01430%0.304CS..  trans-154.2171.5-178.373.40000111.4Q43 C72 R75 A89 T90 C91Q43-S87 PolarHBondContact NE2-O 3.49Å; C72-S87 WeakPolarHBondContact O-CA 3.29Å; C72-S87 WeakPolarHBondContact O-CB 3.4Å; R75-S87 VanDerWaalsContact O-CB 3.23Å; R75-S87 WeakPolarHBondContact O-CB 3.41Å; R75-S87 PolarHBondContact O-OG 3.39Å; S87-A89 VanDerWaalsContact C-N 3.27Å; S87-A89 PolarHBondContact O-N 2.65Å; S87-A89 PolarHBondContact OG-N 3.07Å; S87-T90 PolarHBondContact N-OG1 3.42Å; S87-T90 PolarHBondContact O-N 3.05Å; S87-T90 PolarHBondContact O-OG1 2.99Å; S87-T90 PolarHBondContact OG-N 3.39Å; S87-C91 WeakPolarHBondContact O-CB 3.48Å; S87-C91 PolarHBondContact O-N 2.6Å; S87-C91 VanDerWaalsContact O-N 3.08Å
88F97.8Very high95.9Very high35 Ų3548.2 Ų48.215%0.15430%0.299CS..Hα-helixtrans-56.4-42.8173.3-174.2-117.8000111.9V37 C40 Y44 C72 C91 V92 L100V37-F88 HydrophobicContact CG1-CZ 4.14Å; C40-F88 HydrophobicContact CB-CD2 3.74Å; C40-F88 HydrophobicContact CB-CE2 3.65Å; C40-F88 WeakPolarHBondContact O-CD2 3.28Å; Y44-F88 HydrophobicContact CD2-CB 4.14Å; Y44-F88 HydrophobicContact CG-CB 4.47Å; C72-F88 PolarHBondContact O-N 3.28Å; F88-C91 PolarHBondContact O-N 3.46Å; F88-V92 HydrophobicContact CD1-CG2 4.47Å; F88-V92 HydrophobicContact CD2-CG2 4.12Å; F88-V92 HydrophobicContact CE1-CG2 4.09Å; F88-V92 HydrophobicContact CE2-CG2 3.73Å; F88-V92 HydrophobicContact CG-CG2 4.46Å; F88-V92 HydrophobicContact CZ-CG2 3.7Å; F88-V92 WeakPolarHBondContact O-CG2 3.43Å; F88-V92 PolarHBondContact O-N 3.17Å; F88-L100 HydrophobicContact CD1-CD1 3.2Å; F88-L100 HydrophobicContact CD1-CG 4.47Å; F88-L100 HydrophobicContact CE1-CD1 3.5Å; F88-L100 HydrophobicContact CE1-CD2 4.05Å; F88-L100 HydrophobicContact CE1-CG 4.39Å; F88-L100 HydrophobicContact CG-CD1 4.2Å
89A97.5Very high95.9Very high2 Ų250.6 Ų50.62%0.01729%0.292CS..Hα-helixtrans-62-46.4179.100000113.1C73 L74 Q77 S87 C91 V92 R93 L100C73-A89 VanDerWaalsContact O-CB 3.25Å; C73-A89 WeakPolarHBondContact O-CB 3.39Å; C73-A89 PolarHBondContact O-N 2.98Å; L74-A89 HydrophobicContact CD2-CB 4.4Å; Q77-A89 HydrophobicContact CB-CB 3.86Å; Q77-A89 HydrophobicContact CG-CB 4.05Å; S87-A89 VanDerWaalsContact C-N 3.27Å; S87-A89 PolarHBondContact O-N 2.65Å; S87-A89 PolarHBondContact OG-N 3.07Å; A89-C91 VanDerWaalsContact C-N 3.29Å; A89-C91 PolarHBondContact O-N 3.17Å; A89-V92 PolarHBondContact O-N 3.25Å; A89-R93 VanDerWaalsContact O-CB 3.26Å; A89-R93 WeakPolarHBondContact O-CB 3.49Å; A89-R93 PolarHBondContact O-N 2.86Å; A89-L100 HydrophobicContact CB-CB 4.5Å; A89-L100 HydrophobicContact CB-CD1 3.94Å
90T97.4Very high95.6Very high0 Ų049.4 Ų49.40%029%0.285CS..Hα-helixtrans-65.6-37178.554.30000111.1Q82 P83 S84 L86 S87 D94Q82-T90 HydrophobicContact CB-CG2 4.08Å; P83-T90 WeakPolarHBondContact O-CB 3.46Å; P83-T90 PolarHBondContact O-OG1 3.41Å; S84-T90 PolarHBondContact O-OG1 3.06Å; L86-T90 HydrophobicContact CB-CG2 4.27Å; L86-T90 HydrophobicContact CD2-CG2 4.46Å; S87-T90 PolarHBondContact N-OG1 3.42Å; S87-T90 PolarHBondContact O-N 3.05Å; S87-T90 PolarHBondContact O-OG1 2.99Å; S87-T90 PolarHBondContact OG-N 3.39Å; T90-D94 WeakPolarHBondContact O-CB 3.36Å; T90-D94 VanDerWaalsContact O-CG 3.22Å; T90-D94 PolarHBondContact O-N 3.22Å
91C97.8Very high95.2Very high1 Ų153.9 Ų53.91%0.00730%0.297CS..Hα-helixtrans-63.6-51.4176.4-175.80000111.8C40 S84 S87 F88 A89 R93 D94 K95C40-C91 WeakPolarHBondContact CA-SG 2.96Å; C40-C91 HydrophobicContact CB-CB 3.69Å; C40-C91 WeakPolarHBondContact CB-SG 3.03Å; C40-C91 WeakPolarHBondContact SG-CB 3.34Å; C40-C91 CovalentContact SG-SG 2.04Å; C40-C91 PolarHBondContact SG-SG 3.25Å; S84-C91 WeakPolarHBondContact O-CA 3.29Å; S84-C91 WeakPolarHBondContact O-CB 3.23Å; S84-C91 PolarHBondContact O-N 2.88Å; S84-C91 VanDerWaalsContact O-N 3.11Å; S87-C91 WeakPolarHBondContact O-CB 3.48Å; S87-C91 PolarHBondContact O-N 2.6Å; S87-C91 VanDerWaalsContact O-N 3.08Å; F88-C91 PolarHBondContact O-N 3.46Å; A89-C91 VanDerWaalsContact C-N 3.29Å; A89-C91 PolarHBondContact O-N 3.17Å; C91-R93 VanDerWaalsContact C-N 3.31Å; C91-R93 PolarHBondContact O-N 3.46Å; C91-D94 PolarHBondContact O-N 2.6Å; C91-K95 VanDerWaalsContact O-CB 3.26Å; C91-K95 WeakPolarHBondContact O-CB 3.25Å; C91-K95 PolarHBondContact O-N 3.1Å
92V96.8Very high94.9Very high4 Ų451.3 Ų51.32%0.02429%0.286CS..Hα-helixtrans-65.7-36.3-177.9175.60000111.5C40 F88 A89 C96 G97 A98C40-V92 HydrophobicContact CB-CG2 3.77Å; F88-V92 HydrophobicContact CD1-CG2 4.47Å; F88-V92 HydrophobicContact CD2-CG2 4.12Å; F88-V92 HydrophobicContact CE1-CG2 4.09Å; F88-V92 HydrophobicContact CE2-CG2 3.73Å; F88-V92 HydrophobicContact CG-CG2 4.46Å; F88-V92 HydrophobicContact CZ-CG2 3.7Å; F88-V92 WeakPolarHBondContact O-CG2 3.43Å; F88-V92 PolarHBondContact O-N 3.17Å; A89-V92 PolarHBondContact O-N 3.25Å; V92-C96 HydrophobicContact CG1-CB 4.16Å; V92-C96 CarbonylContact O-C 3.27Å; V92-C96 VanDerWaalsContact O-CA 3.3Å; V92-C96 WeakPolarHBondContact O-CA 3.36Å; V92-C96 VanDerWaalsContact O-CB 3.25Å; V92-C96 WeakPolarHBondContact O-CB 3.26Å; V92-C96 PolarHBondContact O-N 3.16Å; V92-G97 PolarHBondContact O-N 2.99Å; V92-G97 VanDerWaalsContact O-N 3.16Å; V92-A98 CarbonylContact C-O 3.58Å; V92-A98 VanDerWaalsContact C-O 3.27Å; V92-A98 HydrophobicContact CG1-CB 3.68Å; V92-A98 WeakPolarHBondContact CG1-O 3.08Å; V92-A98 PolarHBondContact O-N 3.37Å; V92-A98 VanDerWaalsContact O-N 3.17Å
93R95.4Very high94.5Very high25 Ų2549.9 Ų49.99%0.09428%0.282CS..Hα-helixtrans-60.5-56.3174.2-177.5-168.567.1-159.7-1.1111.4G76 D79 Q82 A89 C91 G97 A98G76-R93 PolarHBondContact O-NH1 2.87Å; D79-R93 PolarHBondContact O-NH1 2.04Å; Q82-R93 PolarHBondContact O-NH2 2.87Å; A89-R93 VanDerWaalsContact O-CB 3.26Å; A89-R93 WeakPolarHBondContact O-CB 3.49Å; A89-R93 PolarHBondContact O-N 2.86Å; C91-R93 VanDerWaalsContact C-N 3.31Å; C91-R93 PolarHBondContact O-N 3.46Å; R93-G97 WeakPolarHBondContact O-CA 3.06Å; R93-G97 PolarHBondContact O-N 2.85Å; R93-A98 WeakPolarHBondContact CA-O 3.06Å; R93-A98 PolarHBondContact N-O 3.08Å; R93-A98 VanDerWaalsContact N-O 3.1Å
94D94.9Very high94Very high81 Ų8152.8 Ų52.843%0.43329%0.294SS..Hα-helixtrans-79.6-34.8-169.3-61-15.1000112.5S84 T90 C91S84-D94 WeakPolarHBondContact CA-OD2 3.36Å; S84-D94 WeakPolarHBondContact CB-OD2 3.42Å; S84-D94 PolarHBondContact N-OD2 3.22Å; T90-D94 WeakPolarHBondContact O-CB 3.36Å; T90-D94 VanDerWaalsContact O-CG 3.22Å; T90-D94 PolarHBondContact O-N 3.22Å; C91-D94 PolarHBondContact O-N 2.6Å
95K95.5Very high93.2Very high91 Ų9152.8 Ų52.840%0.39629%0.291SS..Hα-helixtrans-95.3-35.9-176.5-64-168.2171.1-179.20113.6C36 E39 C91C36-K95 PolarHBondContact SG-O 3.21Å; C36-K95 VanDerWaalsContact SG-O 3.41Å; E39-K95 IonicContact OE1-NZ 3.21Å; E39-K95 PolarHBondContact OE1-NZ 2.83Å; C91-K95 VanDerWaalsContact O-CB 3.26Å; C91-K95 WeakPolarHBondContact O-CB 3.25Å; C91-K95 PolarHBondContact O-N 3.1Å
96C95.1Very high92.4Very high10 Ų1055.8 Ų55.87%0.06830%0.296CS..Hα-helixtrans-107.7-2.3-172.9-40.40000113L28 F33 C36 V92 A98L28-C96 HydrophobicContact CD1-CB 4.45Å; F33-C96 HydrophobicContact CD2-CB 4.09Å; F33-C96 HydrophobicContact CE2-CB 3.9Å; C36-C96 HydrophobicContact CB-CB 3.94Å; C36-C96 WeakPolarHBondContact CB-SG 3.36Å; C36-C96 WeakPolarHBondContact SG-CA 3.21Å; C36-C96 WeakPolarHBondContact SG-CB 3.33Å; C36-C96 PolarHBondContact SG-N 2.98Å; C36-C96 VanDerWaalsContact SG-N 3.37Å; C36-C96 CovalentContact SG-SG 2.04Å; C36-C96 PolarHBondContact SG-SG 2.6Å; V92-C96 HydrophobicContact CG1-CB 4.16Å; V92-C96 CarbonylContact O-C 3.27Å; V92-C96 VanDerWaalsContact O-CA 3.3Å; V92-C96 WeakPolarHBondContact O-CA 3.36Å; V92-C96 VanDerWaalsContact O-CB 3.25Å; V92-C96 WeakPolarHBondContact O-CB 3.26Å; V92-C96 PolarHBondContact O-N 3.16Å; C96-A98 VanDerWaalsContact C-N 3.25Å; C96-A98 PolarHBondContact O-N 3.48Å
97G93.3Very high91.4Very high73 Ų7356.4 Ų56.475%0.75330%0.297SS*.SBendtrans62.530.9-178.800000113.3V92 R93V92-G97 PolarHBondContact O-N 2.99Å; V92-G97 VanDerWaalsContact O-N 3.16Å; R93-G97 WeakPolarHBondContact O-CA 3.06Å; R93-G97 PolarHBondContact O-N 2.85Å
98A93.1Very high90.3Very high25 Ų2567.3 Ų67.321%0.20734%0.338CS..  trans-130.6146.5-176.200000113.1F33 V92 R93 C96F33-A98 HydrophobicContact CE2-CB 3.68Å; F33-A98 HydrophobicContact CZ-CB 3.99Å; V92-A98 CarbonylContact C-O 3.58Å; V92-A98 VanDerWaalsContact C-O 3.27Å; V92-A98 HydrophobicContact CG1-CB 3.68Å; V92-A98 WeakPolarHBondContact CG1-O 3.08Å; V92-A98 PolarHBondContact O-N 3.37Å; V92-A98 VanDerWaalsContact O-N 3.17Å; R93-A98 WeakPolarHBondContact CA-O 3.06Å; R93-A98 PolarHBondContact N-O 3.08Å; R93-A98 VanDerWaalsContact N-O 3.1Å; C96-A98 VanDerWaalsContact C-N 3.25Å; C96-A98 PolarHBondContact O-N 3.48Å
99E90.9Very high88.9Confident120 Ų12070.7 Ų70.756%0.56135%0.354SS*.  trans-103.9140.3178-64.2-177.5167.700111
100L90.3Very high87.3Confident40 Ų4076.4 Ų76.421%0.20939%0.393CS..  trans-91.6158.9168.4-66.6173.8000109.6L74 Q77 F88 A89L74-L100 HydrophobicContact CD2-CB 4.27Å; Q77-L100 PolarHBondContact NE2-O 3.34Å; F88-L100 HydrophobicContact CD1-CD1 3.2Å; F88-L100 HydrophobicContact CD1-CG 4.47Å; F88-L100 HydrophobicContact CE1-CD1 3.5Å; F88-L100 HydrophobicContact CE1-CD2 4.05Å; F88-L100 HydrophobicContact CE1-CG 4.39Å; F88-L100 HydrophobicContact CG-CD1 4.2Å; A89-L100 HydrophobicContact CB-CB 4.5Å; A89-L100 HydrophobicContact CB-CD1 3.94Å
101W83.8Confident86Confident223 Ų22379.8 Ų79.885%0.84543%0.429SS*.  trans-125.5-3176.9-64.689.8000113.2
102G89.5Confident85Confident43 Ų4389.6 Ų89.644%0.44347%0.472SS..  trans174.4171.5-178.800000112.2
103C88.8Confident84.2Confident32 Ų3293 Ų9322%0.21649%0.489CS..  trans-122.1117177.3-1510000110.7C73 L74 I105C73-C103 HydrophobicContact CB-CB 3.67Å; C73-C103 WeakPolarHBondContact CB-SG 3.34Å; C73-C103 WeakPolarHBondContact SG-CB 3.34Å; C73-C103 CovalentContact SG-SG 2.04Å; C73-C103 PolarHBondContact SG-SG 3.13Å; L74-C103 HydrophobicContact CD1-CB 4.18Å; L74-C103 HydrophobicContact CG-CB 4.27Å; C103-I105 HydrophobicContact CB-CD1 4.5Å
104N86.9Confident83.5Confident130 Ų13094.9 Ų94.970%0.69550%0.504SS*.  trans-97.5103.5174.3-167.3-15.4000110.2
105I81.7Confident82.9Confident30 Ų3099.3 Ų99.315%0.15452%0.522CS..  trans-99.7111.3-177.3-60.5147.4000109W55 M66 M69 N70 C103W55-I105 HydrophobicContact CH2-CG2 3.94Å; M66-I105 HydrophobicContact CE-CB 4.07Å; M66-I105 HydrophobicContact CE-CD1 3.41Å; M66-I105 VanDerWaalsContact CE-CD1 3.41Å; M66-I105 HydrophobicContact CE-CG1 4.33Å; M66-I105 HydrophobicContact SD-CB 4.07Å; M66-I105 HydrophobicContact SD-CD1 3.95Å; M66-I105 HydrophobicContact SD-CG2 4.11Å; M69-I105 HydrophobicContact CB-CD1 3.29Å; M69-I105 HydrophobicContact CB-CG1 3.85Å; M69-I105 HydrophobicContact CB-CG2 4.41Å; M69-I105 HydrophobicContact CE-CG2 4.09Å; M69-I105 HydrophobicContact CG-CD1 4.3Å; M69-I105 HydrophobicContact CG-CG2 4.25Å; N70-I105 WeakPolarHBondContact OD1-CD1 3.21Å; C103-I105 HydrophobicContact CB-CD1 4.5Å
106K80.6Confident82.3Confident161 Ų161100.7 Ų100.770%0.753%0.53SS*.  trans-114.3122.9176.3-63.1-177.7-179.51780109.9R108K106-R108 PolarHBondContact O-N 3.46Å
107K75.5Confident81.6Confident56 Ų56101.1 Ų101.124%0.24353%0.53CS..PPolyproline II helixtrans-68.5117.7166-174.5-178.1175-175.80107.4W55 F58 E117W55-K107 HydrophobicContact CE3-CB 4.37Å; W55-K107 HydrophobicContact CE3-CD 4.34Å; W55-K107 HydrophobicContact CE3-CG 4.09Å; W55-K107 HydrophobicContact CZ3-CB 3.99Å; W55-K107 HydrophobicContact CZ3-CG 4.22Å; F58-K107 HydrophobicContact CB-CD 4.04Å; F58-K107 HydrophobicContact CD1-CD 4.43Å; F58-K107 HydrophobicContact CD2-CD 4.27Å; F58-K107 HydrophobicContact CG-CD 3.99Å; K107-E117 IonicContact NZ-OE1 2.7Å; K107-E117 PolarHBondContact NZ-OE1 3.1Å
108R73.5Confident81.3Confident232 Ų232100.9 Ų100.988%0.87551%0.511SS*.PPolyproline II helixtrans-79131.5167.3-71.9-172.6178.11790.2108.5K106K106-R108 PolarHBondContact O-N 3.46Å
109H68.3Low81Confident106 Ų106103.9 Ų103.949%0.49152%0.521SS..PPolyproline II helixtrans-92.6129.9169.1-64.9-89.9000108E117H109-E117 IonicContact CE1-OE1 3.93Å; H109-E117 PolarHBondContact CE1-OE1 2.93Å; H109-E117 IonicContact ND1-OE1 3.08Å
110S64.8Low80.7Confident121 Ų121102.3 Ų102.385%0.84651%0.51SS*.  trans-117.7132162.552.90000106.6
111G70.3Confident80.6Confident72 Ų72103.5 Ų103.574%0.74252%0.516SS*.SBendtrans79-165.5-172.600000114.6
112F76.4Confident80.9Confident207 Ų20798.6 Ų98.691%0.90850%0.501SS*.SBendtrans-74.8152.1-177.3-66.5-81.1000112.4
113L80.2Confident81Confident75 Ų75100.3 Ų100.339%0.39350%0.497SS..PPolyproline II helixtrans-60.3139.4171.1-68.6170.7000110.1E117 I118 I121L113-E117 HydrophobicContact CB-CB 4.36Å; L113-E117 HydrophobicContact CD2-CB 4.27Å; L113-I118 HydrophobicContact CB-CD1 4.33Å; L113-I118 HydrophobicContact CB-CG1 3.81Å; L113-I118 HydrophobicContact CD1-CG1 4.49Å; L113-I121 HydrophobicContact CD1-CD1 3.82Å
114T80Confident81Confident65 Ų65103.6 Ų103.640%0.39951%0.508SS..PPolyproline II helixtrans-68.1155.1173.560.50000110.8Q116 E117 I118T114-Q116 PolarHBondContact O-N 3.07Å; T114-E117 PolarHBondContact N-OE2 3.09Å; T114-E117 WeakPolarHBondContact O-CA 3.42Å; T114-E117 WeakPolarHBondContact O-CB 3.37Å; T114-E117 PolarHBondContact O-N 3.08Å; T114-E117 WeakPolarHBondContact OG1-CB 3.48Å; T114-E117 VanDerWaalsContact OG1-CD 3.23Å; T114-E117 WeakPolarHBondContact OG1-CG 3.34Å; T114-E117 PolarHBondContact OG1-N 3.24Å; T114-E117 PolarHBondContact OG1-OE2 2.73Å; T114-I118 WeakPolarHBondContact O-CG1 3.11Å; T114-I118 PolarHBondContact O-N 3.3Å
115E83.3Confident81.3Confident174 Ų174102 Ų10281%0.81350%0.497SS*.Hα-helixtrans-53.4-39.4176.1-67.1-178.4168.100112.3E117 I118 E119E115-E117 VanDerWaalsContact C-N 3.33Å; E115-E117 PolarHBondContact O-N 3.05Å; E115-I118 PolarHBondContact O-N 3.27Å; E115-E119 WeakPolarHBondContact O-CB 3.35Å; E115-E119 PolarHBondContact O-N 3.35Å
116Q81.4Confident81.7Confident120 Ų120103.3 Ų103.356%0.56151%0.508SS*.Hα-helixtrans-64-36.9176.8-65.8-177.7-1.200112.5T114 Y120T114-Q116 PolarHBondContact O-N 3.07Å; Q116-Y120 WeakPolarHBondContact O-CB 3.4Å; Q116-Y120 PolarHBondContact O-N 3.48Å
117E81.6Confident82.2Confident18 Ų18101.5 Ų101.58%0.08450%0.497CS..Hα-helixtrans-71.8-41.9176.6-74.8165.5146.900111.4K107 H109 L113 T114 E115 E119 Y120 I121K107-E117 IonicContact NZ-OE1 2.7Å; K107-E117 PolarHBondContact NZ-OE1 3.1Å; H109-E117 IonicContact CE1-OE1 3.93Å; H109-E117 PolarHBondContact CE1-OE1 2.93Å; H109-E117 IonicContact ND1-OE1 3.08Å; L113-E117 HydrophobicContact CB-CB 4.36Å; L113-E117 HydrophobicContact CD2-CB 4.27Å; T114-E117 PolarHBondContact N-OE2 3.09Å; T114-E117 WeakPolarHBondContact O-CA 3.42Å; T114-E117 WeakPolarHBondContact O-CB 3.37Å; T114-E117 PolarHBondContact O-N 3.08Å; T114-E117 WeakPolarHBondContact OG1-CB 3.48Å; T114-E117 VanDerWaalsContact OG1-CD 3.23Å; T114-E117 WeakPolarHBondContact OG1-CG 3.34Å; T114-E117 PolarHBondContact OG1-N 3.24Å; T114-E117 PolarHBondContact OG1-OE2 2.73Å; E115-E117 VanDerWaalsContact C-N 3.33Å; E115-E117 PolarHBondContact O-N 3.05Å; E117-E119 VanDerWaalsContact C-N 3.34Å; E117-Y120 PolarHBondContact O-N 2.88Å; E117-I121 VanDerWaalsContact O-CG1 3.28Å; E117-I121 WeakPolarHBondContact O-CG1 3.26Å; E117-I121 PolarHBondContact O-N 3.24Å
118I86.3Confident82.9Confident68 Ų68103.9 Ų103.935%0.34951%0.509SS..Hα-helixtrans-58.7-48.8174.8-66.2169000109.9L113 T114 E115 Y120 I121 K122L113-I118 HydrophobicContact CB-CD1 4.33Å; L113-I118 HydrophobicContact CB-CG1 3.81Å; L113-I118 HydrophobicContact CD1-CG1 4.49Å; T114-I118 WeakPolarHBondContact O-CG1 3.11Å; T114-I118 PolarHBondContact O-N 3.3Å; E115-I118 PolarHBondContact O-N 3.27Å; I118-Y120 VanDerWaalsContact C-N 3.35Å; I118-Y120 PolarHBondContact O-N 3.46Å; I118-I121 PolarHBondContact O-N 2.92Å; I118-K122 HydrophobicContact CG2-CD 4.2Å; I118-K122 WeakPolarHBondContact O-CG 3.19Å; I118-K122 PolarHBondContact O-N 3.31Å
119E87.4Confident83.6Confident89 Ų89100.6 Ų100.642%0.41650%0.501SS..Hα-helixtrans-61.6-42.9179.3-176.853-146.600111.7E115 E117 I121 K122 Q123E115-E119 WeakPolarHBondContact O-CB 3.35Å; E115-E119 PolarHBondContact O-N 3.35Å; E117-E119 VanDerWaalsContact C-N 3.34Å; E119-I121 VanDerWaalsContact C-N 3.35Å; E119-I121 PolarHBondContact O-N 3.44Å; E119-K122 PolarHBondContact O-N 2.91Å; E119-Q123 WeakPolarHBondContact O-CG 3.48Å; E119-Q123 PolarHBondContact O-N 2.88Å; E119-Q123 WeakPolarHBondContact OE1-CG 3.49Å; E119-Q123 PolarHBondContact OE1-NE2 3.42Å
120Y84.5Confident84.4Confident86 Ų86104.3 Ų104.334%0.33752%0.516SS..Hα-helixtrans-60.2-42.8175.3175.6-94.6000112.8Q59 Q116 E117 I118 Q123 K124Q59-Y120 HydrophobicContact CG-CD2 4.36Å; Q59-Y120 HydrophobicContact CG-CG 4.25Å; Q116-Y120 WeakPolarHBondContact O-CB 3.4Å; Q116-Y120 PolarHBondContact O-N 3.48Å; E117-Y120 PolarHBondContact O-N 2.88Å; I118-Y120 VanDerWaalsContact C-N 3.35Å; I118-Y120 PolarHBondContact O-N 3.46Å; Y120-Q123 PolarHBondContact O-N 3.21Å; Y120-K124 HydrophobicContact CE1-CD 4.47Å; Y120-K124 WeakPolarHBondContact O-CB 3.4Å; Y120-K124 PolarHBondContact O-N 3.07Å
121I87.3Confident85.3Confident65 Ų65107 Ų10733%0.33351%0.512SS..Hα-helixtrans-62.7-49177.6-69163.9000109.9L113 E117 I118 E119 Q123 K124 E125L113-I121 HydrophobicContact CD1-CD1 3.82Å; E117-I121 VanDerWaalsContact O-CG1 3.28Å; E117-I121 WeakPolarHBondContact O-CG1 3.26Å; E117-I121 PolarHBondContact O-N 3.24Å; I118-I121 PolarHBondContact O-N 2.92Å; E119-I121 VanDerWaalsContact C-N 3.35Å; E119-I121 PolarHBondContact O-N 3.44Å; I121-Q123 VanDerWaalsContact C-N 3.32Å; I121-Q123 PolarHBondContact O-N 3.41Å; I121-K124 WeakPolarHBondContact O-CB 3.25Å; I121-K124 PolarHBondContact O-N 2.89Å; I121-K124 VanDerWaalsContact O-N 3.07Å; I121-E125 HydrophobicContact CG2-CG 4.4Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.47Å; I121-E125 WeakPolarHBondContact O-CG 3.3Å; I121-E125 PolarHBondContact O-N 3.3Å
122K91.3Very high85.4Confident120 Ų120108.4 Ų108.452%0.52251%0.507SS..Hα-helixtrans-55.2-45.4176.7-72.2176178.8177.50112.2I118 E119 E125 S126I118-K122 HydrophobicContact CG2-CD 4.2Å; I118-K122 WeakPolarHBondContact O-CG 3.19Å; I118-K122 PolarHBondContact O-N 3.31Å; E119-K122 PolarHBondContact O-N 2.91Å; K122-E125 PolarHBondContact O-N 3.5Å; K122-S126 WeakPolarHBondContact O-CB 3.41Å; K122-S126 PolarHBondContact O-N 3.32Å; K122-S126 PolarHBondContact O-OG 2.95Å
123Q91.2Very high84.7Confident79 Ų79104.1 Ų104.137%0.36950%0.5SS..Hα-helixtrans-67.5-34.9177.7-69.7177.712.100113.2E119 Y120 I121 S126 R127E119-Q123 WeakPolarHBondContact O-CG 3.48Å; E119-Q123 PolarHBondContact O-N 2.88Å; E119-Q123 WeakPolarHBondContact OE1-CG 3.49Å; E119-Q123 PolarHBondContact OE1-NE2 3.42Å; Y120-Q123 PolarHBondContact O-N 3.21Å; I121-Q123 VanDerWaalsContact C-N 3.32Å; I121-Q123 PolarHBondContact O-N 3.41Å; Q123-S126 WeakPolarHBondContact CA-OG 3.29Å; Q123-S126 PolarHBondContact O-OG 3.48Å; Q123-R127 WeakPolarHBondContact O-CB 3.3Å; Q123-R127 WeakPolarHBondContact O-CG 3.37Å; Q123-R127 PolarHBondContact O-N 3.39Å; Q123-R127 VanDerWaalsContact O-N 3.14Å; Q123-R127 PolarHBondContact O-NE 3.44Å; Q123-R127 VanDerWaalsContact O-NE 3.11Å
124K88.9Confident83.7Confident101 Ų101113.3 Ų113.344%0.43954%0.54SS..Hα-helixtrans-67.2-45.7175.7-173.2-174.9172.9-165.80111Y120 I121 R127 Q128Y120-K124 HydrophobicContact CE1-CD 4.47Å; Y120-K124 WeakPolarHBondContact O-CB 3.4Å; Y120-K124 PolarHBondContact O-N 3.07Å; I121-K124 WeakPolarHBondContact O-CB 3.25Å; I121-K124 PolarHBondContact O-N 2.89Å; I121-K124 VanDerWaalsContact O-N 3.07Å; K124-R127 PolarHBondContact O-N 3.48Å; K124-Q128 WeakPolarHBondContact O-CG 3.48Å; K124-Q128 PolarHBondContact O-N 3.11Å
125E92.1Very high83.9Confident98 Ų98115.7 Ų115.746%0.45855%0.547SS..Hα-helixtrans-63.6-41.6177.9-71177.3179.400111.8I121 K122 R127 Q128 K129I121-E125 HydrophobicContact CG2-CG 4.4Å; I121-E125 WeakPolarHBondContact CG2-OE1 3.47Å; I121-E125 WeakPolarHBondContact O-CG 3.3Å; I121-E125 PolarHBondContact O-N 3.3Å; K122-E125 PolarHBondContact O-N 3.5Å; E125-R127 VanDerWaalsContact C-N 3.35Å; E125-R127 PolarHBondContact O-N 3.04Å; E125-Q128 PolarHBondContact O-N 3.49Å; E125-K129 WeakPolarHBondContact O-CG 3.32Å; E125-K129 PolarHBondContact O-N 3.13Å
126S91.8Very high83.9Confident56 Ų56112.6 Ų112.639%0.39253%0.534SS..Hα-helixtrans-64.4-38.6176.971.50000112.3K122 Q123 K130K122-S126 WeakPolarHBondContact O-CB 3.41Å; K122-S126 PolarHBondContact O-N 3.32Å; K122-S126 PolarHBondContact O-OG 2.95Å; Q123-S126 WeakPolarHBondContact CA-OG 3.29Å; Q123-S126 PolarHBondContact O-OG 3.48Å; S126-K130 WeakPolarHBondContact O-CG 3.48Å; S126-K130 PolarHBondContact O-N 3.48Å
127R90.4Very high84Confident123 Ų123112.2 Ų112.246%0.46453%0.532SS..Hα-helixtrans-65.5-36.2171.8-76.8-179.4-71-130-2.1113.1Q123 K124 E125 K131Q123-R127 WeakPolarHBondContact O-CB 3.3Å; Q123-R127 WeakPolarHBondContact O-CG 3.37Å; Q123-R127 PolarHBondContact O-N 3.39Å; Q123-R127 VanDerWaalsContact O-N 3.14Å; Q123-R127 PolarHBondContact O-NE 3.44Å; Q123-R127 VanDerWaalsContact O-NE 3.11Å; K124-R127 PolarHBondContact O-N 3.48Å; E125-R127 VanDerWaalsContact C-N 3.35Å; E125-R127 PolarHBondContact O-N 3.04Å; R127-K131 WeakPolarHBondContact O-CG 3.41Å; R127-K131 PolarHBondContact O-N 3.11Å
128Q89.6Confident84.2Confident106 Ų106117.8 Ų117.850%0.49556%0.558SS.*Hα-helixtrans-69.7-43.3176.8-75.8177.4-22.600111.3K124 E125 K130 K131 T132K124-Q128 WeakPolarHBondContact O-CG 3.48Å; K124-Q128 PolarHBondContact O-N 3.11Å; E125-Q128 PolarHBondContact O-N 3.49Å; Q128-K130 VanDerWaalsContact C-N 3.27Å; Q128-K130 PolarHBondContact O-N 3.3Å; Q128-K131 PolarHBondContact O-N 3.42Å; Q128-T132 PolarHBondContact O-N 3.26Å; Q128-T132 PolarHBondContact O-OG1 3.35Å
129K88.6Confident84Confident163 Ų163120.9 Ų120.971%0.70957%0.571SS**Hα-helixtrans-58.8-35.5175.4-74.3176.8177.6178.90113.1E125 K131E125-K129 WeakPolarHBondContact O-CG 3.32Å; E125-K129 PolarHBondContact O-N 3.13Å; K129-K131 VanDerWaalsContact C-N 3.3Å; K129-K131 PolarHBondContact O-N 3.26Å
130K85.3Confident83.8Confident185 Ų185123 Ų12380%0.80458%0.582SS**THydrogen-bonded Turntrans-71.5-20174.8-71-178.4-178.5-171.40114.3S126 Q128S126-K130 WeakPolarHBondContact O-CG 3.48Å; S126-K130 PolarHBondContact O-N 3.48Å; Q128-K130 VanDerWaalsContact C-N 3.27Å; Q128-K130 PolarHBondContact O-N 3.3Å
131K83.8Confident83.8Confident176 Ų176125.6 Ų125.677%0.76560%0.599SS**THydrogen-bonded Turntrans-92.8-23.8-177.3-76.7-175.8177.8-165.80113.4R127 Q128 K129 P133R127-K131 WeakPolarHBondContact O-CG 3.41Å; R127-K131 PolarHBondContact O-N 3.11Å; Q128-K131 PolarHBondContact O-N 3.42Å; K129-K131 VanDerWaalsContact C-N 3.3Å; K129-K131 PolarHBondContact O-N 3.26Å; K131-P133 VanDerWaalsContact O-CD 3.29Å; K131-P133 WeakPolarHBondContact O-CD 3.36Å
132T71.2Confident83.5Confident103 Ų103130.3 Ų130.363%0.63262%0.62SS**SBendtrans-83.1109.9171.4-45.60000107.2Q128 Q134Q128-T132 PolarHBondContact O-N 3.26Å; Q128-T132 PolarHBondContact O-OG1 3.35Å; T132-Q134 PolarHBondContact O-N 3.41Å
133P62.4Low82.8Confident117 Ų117131.2 Ų131.276%0.7663%0.628SS**  trans-60.6128.7167.3-11.427.7000107.4K131K131-P133 VanDerWaalsContact O-CD 3.29Å; K131-P133 WeakPolarHBondContact O-CD 3.36Å
134Q59Low82.1Confident267 Ų267135.9 Ų135.9100%1.24865%0.651SS**  trans-67.10161.2-93.3-179.6-31.200109.6T132T132-Q134 PolarHBondContact O-N 3.41Å

Retrieved 134 of 134 residues in 31.9 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).