A0A077YXK3_TRITR Loading...

Large ribosomal subunit protein uL23m

AlphaFold DB , UniProt , Accession A0A077YXK3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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
1M69.3Low83.7Confident38 Ų38120.8 Ų120.819%0.18757%0.573CS.*  038.60-58.1-161.7-83.500114.4P21 C23 M49 D53 Y57M1-P21 HydrophobicContact CB-CB 4.38Å; M1-C23 WeakPolarHBondContact CA-SG 3.41Å; M1-C23 PolarHBondContact O-SG 3.12Å; M1-M49 HydrophobicContact CG-CE 4.25Å; M1-M49 HydrophobicContact SD-CE 3.9Å; M1-D53 HydrophobicContact CG-CB 3.35Å; M1-D53 WeakPolarHBondContact CG-OD2 3.31Å; M1-D53 PolarHBondContact N-OD2 2.84Å; M1-D53 HydrophobicContact SD-CB 3.92Å; M1-Y57 HydrophobicContact SD-CD2 3.87Å; M1-Y57 HydrophobicContact SD-CG 4.38Å
2T77.8Confident83.5Confident18 Ų18127.9 Ų127.911%0.1160%0.6CS.*  trans-149.3140166.866.40000110.8R4 H6 V18 D22T2-R4 PolarHBondContact O-N 2.79Å; T2-R4 PolarHBondContact OG1-O 2.79Å; T2-H6 PolarHBondContact OG1-CE1 3.42Å; T2-V18 HydrophobicContact CG2-CB 4.49Å; T2-V18 HydrophobicContact CG2-CG1 3.6Å; T2-V18 HydrophobicContact CG2-CG2 4.01Å; T2-D22 VanDerWaalsContact CA-OD1 3.22Å; T2-D22 WeakPolarHBondContact CA-OD1 3.42Å
3T82.2Confident83.4Confident96 Ų96129.2 Ų129.259%0.58961%0.613SS**SBendtrans-67.9-15.6167.363.30000112D22 E48T3-D22 WeakPolarHBondContact CB-OD2 3.33Å; T3-D22 WeakPolarHBondContact CG2-OD2 3.47Å; T3-D22 PolarHBondContact N-OD1 3.49Å; T3-D22 PolarHBondContact N-OD2 2.97Å; T3-D22 PolarHBondContact OG1-OD2 3.41Å; T3-E48 WeakPolarHBondContact CA-OE1 3.47Å; T3-E48 WeakPolarHBondContact CA-OE2 3.41Å; T3-E48 WeakPolarHBondContact CG2-OE1 3.3Å; T3-E48 VanDerWaalsContact CG2-OE2 3.25Å; T3-E48 WeakPolarHBondContact CG2-OE2 3.39Å; T3-E48 PolarHBondContact N-OE2 3.06Å
4R86.9Confident83.5Confident174 Ų174126.9 Ų126.966%0.65760%0.602SS**SBendtrans-74.8151.1-178-56.3-178.4-173.8-172.10.7111.3T2 H6T2-R4 PolarHBondContact O-N 2.79Å; T2-R4 PolarHBondContact OG1-O 2.79Å; R4-H6 PolarHBondContact O-N 3.45Å
5L86.3Confident83.5Confident179 Ų179130.5 Ų130.594%0.93761%0.614SS**PPolyproline II helixtrans-58.5124.9173.2-64.8176000110.9
6H86.4Confident83.6Confident120 Ų120128.1 Ų128.156%0.55661%0.611SS**PPolyproline II helixtrans-72.8137.2177.2-69.7-58.5000111.2T2 R4 L8T2-H6 PolarHBondContact OG1-CE1 3.42Å; R4-H6 PolarHBondContact O-N 3.45Å; H6-L8 PolarHBondContact O-N 3.31Å
7R87.1Confident83.9Confident193 Ų193127.7 Ų127.773%0.72861%0.612SS**PPolyproline II helixtrans-67.7126.9171.9-175.9179.4-178.1-179.22.9109.4L9R7-L9 PolarHBondContact O-N 3.06Å
8L87.6Confident84.1Confident164 Ų164124.1 Ų124.186%0.85960%0.599SS**PPolyproline II helixtrans-69117.2167.2-60.9178.2000108.7H6H6-L8 PolarHBondContact O-N 3.31Å
9L86.5Confident84.5Confident56 Ų56126.9 Ų126.929%0.29361%0.609SS.*PPolyproline II helixtrans-85.3128.9178.8-69.1174.3000109.7R7 R11 Q14 T16R7-L9 PolarHBondContact O-N 3.06Å; L9-R11 VanDerWaalsContact C-N 3.25Å; L9-R11 PolarHBondContact O-N 2.99Å; L9-Q14 HydrophobicContact CD1-CB 4.06Å; L9-Q14 WeakPolarHBondContact CD1-O 3.19Å; L9-Q14 HydrophobicContact CD2-CB 4.1Å; L9-Q14 HydrophobicContact CG-CB 4.49Å; L9-T16 HydrophobicContact CD1-CG2 3.87Å; L9-T16 HydrophobicContact CG-CG2 4.34Å
10P84.9Confident84.8Confident106 Ų106127.9 Ų127.969%0.68862%0.617SS**SBendtrans-71.9-20.2-175.928.8-35.4000113.1
11R85.8Confident85.1Confident185 Ų185123.9 Ų123.970%0.69860%0.601SS**SBendtrans-128.3140.6-179.7-65.7-176.5-178.9172.90.4109.7L9 D13 Q14L9-R11 VanDerWaalsContact C-N 3.25Å; L9-R11 PolarHBondContact O-N 2.99Å; R11-D13 PolarHBondContact O-N 2.82Å; R11-Q14 PolarHBondContact O-N 3.16Å
12K80.9Confident86.2Confident206 Ų206125 Ų12590%0.89661%0.607SS**THydrogen-bonded Turntrans-61.5-25.3-179.5-165.9175.8178.7-178.20113.3
13D82.5Confident86.9Confident144 Ų144124.5 Ų124.577%0.7761%0.605SS**THydrogen-bonded Turntrans-87.4-10.1-172.6-51.1-29.9000113.9R11R11-D13 PolarHBondContact O-N 2.82Å
14Q84.2Confident87.5Confident97 Ų97125.6 Ų125.645%0.45360%0.598SS.*PPolyproline II helixtrans-75.7131.8176.1-73.2-171.4-3200109.9L9 R11L9-Q14 HydrophobicContact CD1-CB 4.06Å; L9-Q14 WeakPolarHBondContact CD1-O 3.19Å; L9-Q14 HydrophobicContact CD2-CB 4.1Å; L9-Q14 HydrophobicContact CG-CB 4.49Å; R11-Q14 PolarHBondContact O-N 3.16Å
15K84.2Confident87.9Confident182 Ų182118.9 Ų118.979%0.79158%0.575SS**PPolyproline II helixtrans-87128.1175.6-65-179.6-178.9178.10109.4L17K15-L17 PolarHBondContact O-N 3.07Å
16T85.3Confident88.3Confident91 Ų91116.2 Ų116.256%0.55856%0.556SS**PPolyproline II helixtrans-70.1117.5166.39.90000108.7L9L9-T16 HydrophobicContact CD1-CG2 3.87Å; L9-T16 HydrophobicContact CG-CG2 4.34Å
17L87.7Confident88.8Confident122 Ų122114 Ų11464%0.63955%0.547SS*.  trans-105.8131.3176.3-61.5175.1000109.3K15 F19K15-L17 PolarHBondContact O-N 3.07Å; L17-F19 HydrophobicContact CB-CE2 4.36Å; L17-F19 HydrophobicContact CB-CZ 4.4Å; L17-F19 HydrophobicContact CD1-CZ 4.39Å
18V89.1Confident89.2Confident62 Ų62106.8 Ų106.838%0.37653%0.525SS..  trans-116.9111.8173.9-179.70000107T2 P21T2-V18 HydrophobicContact CG2-CB 4.49Å; T2-V18 HydrophobicContact CG2-CG1 3.6Å; T2-V18 HydrophobicContact CG2-CG2 4.01Å; V18-P21 HydrophobicContact CG1-CB 4.14Å
19F90.1Very high89.5Confident179 Ų179105.5 Ų105.579%0.78551%0.512SS*.SBendtrans-83.6-37.1-179.5-66-76.7000112.5L17L17-F19 HydrophobicContact CB-CE2 4.36Å; L17-F19 HydrophobicContact CB-CZ 4.4Å; L17-F19 HydrophobicContact CD1-CZ 4.39Å
20L91.1Very high89.9Confident146 Ų146105.1 Ų105.176%0.76451%0.513SS*.SBendtrans-127.681.9-175.6-64.5172.5000108.8
21P91.9Very high90.2Very high44 Ų44105.8 Ų105.829%0.28651%0.505SS..  trans-66.2136.2175.527.8-32.5000110.1M1 V18 C23 Y57M1-P21 HydrophobicContact CB-CB 4.38Å; V18-P21 HydrophobicContact CG1-CB 4.14Å; P21-C23 VanDerWaalsContact C-N 3.33Å; P21-Y57 HydrophobicContact CG-CE2 4.13Å
22D92.5Very high90.3Very high60 Ų60106.5 Ų106.532%0.32152%0.516SS..  trans-91.41.9174.659.53.9000112.8T2 T3T2-D22 VanDerWaalsContact CA-OD1 3.22Å; T2-D22 WeakPolarHBondContact CA-OD1 3.42Å; T3-D22 WeakPolarHBondContact CB-OD2 3.33Å; T3-D22 WeakPolarHBondContact CG2-OD2 3.47Å; T3-D22 PolarHBondContact N-OD1 3.49Å; T3-D22 PolarHBondContact N-OD2 2.97Å; T3-D22 PolarHBondContact OG1-OD2 3.41Å
23C91.9Very high90.6Very high8 Ų8101.6 Ų101.65%0.05451%0.508CS..  trans-78.8151.7-179.9-60.70000111.8M1 P21 M49M1-C23 WeakPolarHBondContact CA-SG 3.41Å; M1-C23 PolarHBondContact O-SG 3.12Å; P21-C23 VanDerWaalsContact C-N 3.33Å; C23-M49 HydrophobicContact CB-CG 3.93Å; C23-M49 HydrophobicContact CB-SD 3.7Å
24W94.2Very high90.8Very high119 Ų11996.4 Ų96.445%0.45148%0.479SS..  trans-126.3151.7178.956-91.6000110.8K26 I44 S46W24-K26 HydrophobicContact CE3-CD 4.06Å; W24-K26 HydrophobicContact CE3-CG 3.87Å; W24-K26 HydrophobicContact CZ3-CD 3.69Å; W24-K26 HydrophobicContact CZ3-CG 3.88Å; W24-I44 HydrophobicContact CH2-CG2 4.04Å; W24-I44 HydrophobicContact CZ3-CG2 3.86Å; W24-S46 PolarHBondContact N-OG 3.34Å; W24-S46 PolarHBondContact NE1-OG 3.48Å; W24-S46 PolarHBondContact O-N 3.48Å; W24-S46 VanDerWaalsContact O-N 3.08Å; W24-S46 PolarHBondContact O-OG 3.17Å
25M95.1Very high90.9Very high33 Ų33101.3 Ų101.316%0.16350%0.499CS..EExtended strand (participates in β ladder)trans-133.6143172.2-64.4-176.150.700109.5F43 I44 V45 M49 V54 Y57 L58M25-F43 HydrophobicContact CE-CB 3.82Å; M25-F43 HydrophobicContact CE-CD1 3.86Å; M25-F43 HydrophobicContact CE-CD2 4.14Å; M25-F43 HydrophobicContact CE-CE1 4.46Å; M25-F43 HydrophobicContact CE-CG 3.67Å; M25-I44 CarbonylContact C-O 3.57Å; M25-I44 WeakPolarHBondContact CA-O 3.33Å; M25-V45 HydrophobicContact CB-CG1 4.26Å; M25-V45 HydrophobicContact CE-CG1 3.59Å; M25-V45 HydrophobicContact CG-CB 4.1Å; M25-V45 HydrophobicContact CG-CG1 3.62Å; M25-V45 HydrophobicContact SD-CG1 3.96Å; M25-M49 HydrophobicContact CG-CE 4.2Å; M25-M49 HydrophobicContact CG-SD 3.93Å; M25-M49 HydrophobicContact SD-CE 3.86Å; M25-M49 HydrophobicContact SD-SD 4.35Å; M25-V54 HydrophobicContact CE-CG1 3.68Å; M25-V54 HydrophobicContact SD-CG1 4.16Å; M25-V54 HydrophobicContact SD-CG2 4.37Å; M25-Y57 HydrophobicContact CG-CD1 4.36Å; M25-Y57 HydrophobicContact CG-CE1 4.31Å; M25-Y57 HydrophobicContact SD-CD1 3.61Å; M25-Y57 HydrophobicContact SD-CE1 4.11Å; M25-Y57 HydrophobicContact SD-CG 4.31Å; M25-L58 HydrophobicContact CE-CD1 4.17Å; M25-L58 HydrophobicContact CE-CD2 4.15Å; M25-L58 HydrophobicContact CE-CG 4.15Å
26K96.3Very high91.2Very high124 Ų12494.8 Ų94.854%0.53947%0.472SS..EExtended strand (participates in β ladder)trans-122.2127.9176.8-65177.4-173.4177.10109.1W24 V28 F43 I44W24-K26 HydrophobicContact CE3-CD 4.06Å; W24-K26 HydrophobicContact CE3-CG 3.87Å; W24-K26 HydrophobicContact CZ3-CD 3.69Å; W24-K26 HydrophobicContact CZ3-CG 3.88Å; K26-V28 HydrophobicContact CB-CG2 4.47Å; K26-F43 CarbonylContact O-C 3.59Å; K26-F43 VanDerWaalsContact O-CA 3.25Å; K26-F43 WeakPolarHBondContact O-CA 3.18Å; K26-I44 HydrophobicContact CB-CB 4.47Å; K26-I44 PolarHBondContact N-O 3.41Å; K26-I44 PolarHBondContact O-N 3.09Å
27L96.1Very high91.6Very high73 Ų7395.5 Ų95.538%0.38247%0.472SS..EExtended strand (participates in β ladder)trans-71.8126.7169-175.997.1000108.6V41 F43 F118 F120L27-V41 HydrophobicContact CD1-CG1 3.42Å; L27-V41 VanDerWaalsContact CD1-CG1 3.42Å; L27-F43 HydrophobicContact CB-CD1 4.25Å; L27-F43 HydrophobicContact CB-CE1 4Å; L27-F43 HydrophobicContact CD1-CD1 4.28Å; L27-F43 HydrophobicContact CD1-CE1 3.54Å; L27-F43 HydrophobicContact CD1-CZ 3.71Å; L27-F43 HydrophobicContact CG-CE1 4.37Å; L27-F118 HydrophobicContact CD1-CE1 4.04Å; L27-F118 HydrophobicContact CD1-CZ 3.83Å; L27-F118 HydrophobicContact CD2-CE1 4.38Å; L27-F118 HydrophobicContact CD2-CZ 3.81Å; L27-F118 HydrophobicContact CG-CZ 4.4Å; L27-F120 HydrophobicContact CD2-CD2 3.73Å; L27-F120 HydrophobicContact CD2-CE2 3.4Å; L27-F120 VanDerWaalsContact CD2-CE2 3.4Å; L27-F120 HydrophobicContact CD2-CZ 4.32Å; L27-F120 HydrophobicContact CG-CD2 4.39Å; L27-F120 HydrophobicContact CG-CE2 4.05Å
28V95.5Very high91.8Very high41 Ų4193.5 Ų93.525%0.24847%0.466CS..  trans-123.3135.5-177179.70000110.4K26 K42 I44K26-V28 HydrophobicContact CB-CG2 4.47Å; V28-K42 PolarHBondContact N-O 2.81Å; V28-K42 VanDerWaalsContact N-O 3.08Å; V28-I44 HydrophobicContact CG2-CB 4.14Å; V28-I44 HydrophobicContact CG2-CD1 3.64Å; V28-I44 HydrophobicContact CG2-CG1 3.66Å
29K94.2Very high92.1Very high138 Ų13891.7 Ų91.760%0.646%0.455SS*.PPolyproline II helixtrans-63.8128.3173.1-172.1-179.4176.4-1760109F120K29-F120 HydrophobicContact CB-CD1 4.15Å; K29-F120 HydrophobicContact CB-CD2 3.97Å; K29-F120 HydrophobicContact CB-CE1 4.21Å; K29-F120 HydrophobicContact CB-CE2 4.01Å; K29-F120 HydrophobicContact CB-CG 4.04Å; K29-F120 HydrophobicContact CB-CZ 4.14Å; K29-F120 HydrophobicContact CD-CD1 4.31Å; K29-F120 HydrophobicContact CG-CB 4.37Å; K29-F120 HydrophobicContact CG-CD1 4.21Å; K29-F120 HydrophobicContact CG-CD2 4.45Å; K29-F120 HydrophobicContact CG-CG 4.09Å
30P93.7Very high92.4Very high47 Ų4784.9 Ų84.931%0.30543%0.426SS..PPolyproline II helixtrans-60.6147.1175.624-32.2000111.2L36P30-L36 HydrophobicContact CB-CD1 3.57Å; P30-L36 HydrophobicContact CB-CG 4.03Å; P30-L36 HydrophobicContact CG-CD1 4.06Å
31K91.9Very high92.6Very high121 Ų12178.3 Ų78.353%0.52639%0.392SS..PPolyproline II helixtrans-69.5152.6172.9-65.4175.6-179.5168.50108.9S33 E34K31-S33 PolarHBondContact O-N 3.34Å; K31-S33 VanDerWaalsContact O-N 3.16Å; K31-E34 HydrophobicContact CB-CG 4.19Å; K31-E34 PolarHBondContact N-OE2 2.64Å; K31-E34 WeakPolarHBondContact O-CB 3.48Å; K31-E34 PolarHBondContact O-N 3.01Å
32E87Confident92.8Very high199 Ų19976.6 Ų76.693%0.9338%0.38SS*.THydrogen-bonded Turntrans-59.9-28.4178.6-65.7178.2179.100112.9E34E32-E34 VanDerWaalsContact C-N 3.29Å; E32-E34 PolarHBondContact O-N 3.27Å
33S88.5Confident93.1Very high104 Ų10475 Ų7573%0.72737%0.37SS*.THydrogen-bonded Turntrans-71.3-21.5173.9540000113.9K31 K35K31-S33 PolarHBondContact O-N 3.34Å; K31-S33 VanDerWaalsContact O-N 3.16Å; S33-K35 PolarHBondContact O-N 3.36Å
34E86.9Confident93.3Very high34 Ų3476.5 Ų76.516%0.15938%0.377CS..  trans-9392.1-178.3-65.1174.6162.400109.6K31 E32 L36 K42 R72K31-E34 HydrophobicContact CB-CG 4.19Å; K31-E34 PolarHBondContact N-OE2 2.64Å; K31-E34 WeakPolarHBondContact O-CB 3.48Å; K31-E34 PolarHBondContact O-N 3.01Å; E32-E34 VanDerWaalsContact C-N 3.29Å; E32-E34 PolarHBondContact O-N 3.27Å; E34-L36 VanDerWaalsContact C-N 3.35Å; E34-L36 HydrophobicContact CB-CD2 4.47Å; E34-L36 PolarHBondContact O-N 3.38Å; E34-K42 IonicContact OE1-NZ 2.83Å; E34-K42 PolarHBondContact OE1-NZ 2.82Å; E34-K42 WeakPolarHBondContact OE2-CD 3.24Å; E34-K42 IonicContact OE2-NZ 2.93Å; E34-K42 PolarHBondContact OE2-NZ 3.2Å; E34-R72 IonicContact OE1-NH2 3.83Å; E34-R72 PolarHBondContact OE1-NH2 2.84Å; E34-R72 VanDerWaalsContact OE1-NH2 3.15Å
35K86.8Confident93.5Very high200 Ų20070.9 Ų70.987%0.8736%0.356SS*.  trans-72.787.3173.5-65.6-175.8-178-179.60110.3S33S33-K35 PolarHBondContact O-N 3.36Å
36L90Very high93.5Very high45 Ų4569.6 Ų69.624%0.23635%0.35CS..  trans-82146.5174.4-57.6-173.1000111.3P30 E34 M40 K42 F109P30-L36 HydrophobicContact CB-CD1 3.57Å; P30-L36 HydrophobicContact CB-CG 4.03Å; P30-L36 HydrophobicContact CG-CD1 4.06Å; E34-L36 VanDerWaalsContact C-N 3.35Å; E34-L36 HydrophobicContact CB-CD2 4.47Å; E34-L36 PolarHBondContact O-N 3.38Å; L36-M40 HydrophobicContact CB-CE 3.81Å; L36-M40 HydrophobicContact CD2-CE 3.36Å; L36-M40 HydrophobicContact CD2-SD 4.47Å; L36-M40 HydrophobicContact CG-CE 4.11Å; L36-K42 HydrophobicContact CD1-CB 4.06Å; L36-F109 HydrophobicContact CD1-CD1 4.42Å; L36-F109 HydrophobicContact CD1-CE1 4.38Å; L36-F109 HydrophobicContact CD2-CD1 3.78Å; L36-F109 HydrophobicContact CD2-CE1 3.66Å
37L92.3Very high93.4Very high107 Ų10768.2 Ų68.256%0.5635%0.354SS*.  trans-66.4153.5169.7-73.188.5000110.2N39 M40L37-N39 VanDerWaalsContact CB-OD1 3.27Å; L37-N39 WeakPolarHBondContact CB-OD1 2.84Å; L37-N39 PolarHBondContact O-N 3.33Å; L37-N39 VanDerWaalsContact O-N 3.12Å; L37-M40 HydrophobicContact CB-CB 4.3Å; L37-M40 HydrophobicContact CD1-CE 3.94Å; L37-M40 WeakPolarHBondContact O-CB 3.27Å; L37-M40 PolarHBondContact O-N 3.12Å
38P93Very high93.2Very high79 Ų7968.8 Ų68.851%0.51336%0.355SS..THydrogen-bonded Turntrans-63.6-21-177.425.5-35.7000113.8H117 F118P38-H117 HydrophobicContact CB-CB 4.46Å; P38-H117 WeakPolarHBondContact O-CA 3.36Å; P38-F118 PolarHBondContact O-N 3Å
39N95.1Very high93.1Very high24 Ų2467 Ų6713%0.12834%0.344CS..THydrogen-bonded Turntrans-95.19.7175.468.3-40.1000112.9L37 L112 L116L37-N39 VanDerWaalsContact CB-OD1 3.27Å; L37-N39 WeakPolarHBondContact CB-OD1 2.84Å; L37-N39 PolarHBondContact O-N 3.33Å; L37-N39 VanDerWaalsContact O-N 3.12Å; N39-L112 HydrophobicContact CB-CB 4.47Å; N39-L112 PolarHBondContact ND2-O 2.84Å; N39-L112 WeakPolarHBondContact O-CB 3.36Å; N39-L112 WeakPolarHBondContact O-CG 3.26Å; N39-L112 PolarHBondContact O-N 3.47Å; N39-L116 WeakPolarHBondContact CA-O 3.33Å; N39-L116 WeakPolarHBondContact CB-O 3.42Å
40M95.8Very high93.1Very high36 Ų3665.7 Ų65.718%0.17734%0.343CS..EExtended strand (participates in β ladder)trans-113.5133.5-177.7-169.516751.800111.1L36 L37 F109 V110 T111L36-M40 HydrophobicContact CB-CE 3.81Å; L36-M40 HydrophobicContact CD2-CE 3.36Å; L36-M40 HydrophobicContact CD2-SD 4.47Å; L36-M40 HydrophobicContact CG-CE 4.11Å; L37-M40 HydrophobicContact CB-CB 4.3Å; L37-M40 HydrophobicContact CD1-CE 3.94Å; L37-M40 WeakPolarHBondContact O-CB 3.27Å; L37-M40 PolarHBondContact O-N 3.12Å; M40-F109 HydrophobicContact CG-CB 4.44Å; M40-F109 HydrophobicContact SD-CB 4.1Å; M40-V110 CarbonylContact C-O 3.59Å; M40-V110 WeakPolarHBondContact CA-O 3.46Å; M40-T111 HydrophobicContact CB-CG2 4.45Å; M40-T111 HydrophobicContact CG-CG2 4.08Å; M40-T111 HydrophobicContact SD-CG2 4Å
41V96Very high93.2Very high8 Ų864.9 Ų64.95%0.04834%0.34CS..EExtended strand (participates in β ladder)trans-122.5137.4-175.3-172.10000109.7L27 F43 V110 L112 F118L27-V41 HydrophobicContact CD1-CG1 3.42Å; L27-V41 VanDerWaalsContact CD1-CG1 3.42Å; V41-F43 HydrophobicContact CB-CD2 4.48Å; V41-F43 HydrophobicContact CB-CE2 3.81Å; V41-F43 HydrophobicContact CB-CZ 4.42Å; V41-F43 HydrophobicContact CG1-CD2 4.11Å; V41-F43 HydrophobicContact CG1-CE1 4.49Å; V41-F43 HydrophobicContact CG1-CE2 3.44Å; V41-F43 VanDerWaalsContact CG1-CE2 3.44Å; V41-F43 HydrophobicContact CG1-CZ 3.66Å; V41-V110 PolarHBondContact N-O 2.79Å; V41-V110 PolarHBondContact O-N 3.44Å; V41-L112 HydrophobicContact CG2-CD1 3.85Å; V41-L112 HydrophobicContact CG2-CG 4.23Å; V41-F118 HydrophobicContact CB-CD1 4.37Å; V41-F118 HydrophobicContact CG1-CD1 4Å; V41-F118 HydrophobicContact CG1-CE1 3.96Å; V41-F118 HydrophobicContact CG2-CB 3.8Å; V41-F118 HydrophobicContact CG2-CD1 3.6Å; V41-F118 HydrophobicContact CG2-CE1 4.38Å; V41-F118 HydrophobicContact CG2-CG 3.75Å
42K96.6Very high93.4Very high9 Ų964 Ų644%0.03934%0.341CS..EExtended strand (participates in β ladder)trans-98.2129.1177.8-173179.3-173.7174.80110.6V28 E34 L36 V107 F109V28-K42 PolarHBondContact N-O 2.81Å; V28-K42 VanDerWaalsContact N-O 3.08Å; E34-K42 IonicContact OE1-NZ 2.83Å; E34-K42 PolarHBondContact OE1-NZ 2.82Å; E34-K42 WeakPolarHBondContact OE2-CD 3.24Å; E34-K42 IonicContact OE2-NZ 2.93Å; E34-K42 PolarHBondContact OE2-NZ 3.2Å; L36-K42 HydrophobicContact CD1-CB 4.06Å; K42-V107 HydrophobicContact CD-CG1 4.35Å; K42-V107 VanDerWaalsContact CE-CG1 3.45Å; K42-V107 HydrophobicContact CG-CG1 3.99Å; K42-F109 HydrophobicContact CB-CD1 4.45Å; K42-F109 HydrophobicContact CB-CE1 4.3Å; K42-F109 HydrophobicContact CD-CE1 4.07Å; K42-F109 HydrophobicContact CD-CZ 4.44Å; K42-F109 HydrophobicContact CG-CD1 4.44Å; K42-F109 HydrophobicContact CG-CE1 3.97Å; K42-F109 HydrophobicContact CG-CZ 4.5Å
43F97.5Very high93.7Very high27 Ų2756.3 Ų56.312%0.11831%0.307CS..EExtended strand (participates in β ladder)trans-122.7149172.4-65.6-87.1000110.7M25 K26 L27 V41 V45 L58 V107 A108 V110M25-F43 HydrophobicContact CE-CB 3.82Å; M25-F43 HydrophobicContact CE-CD1 3.86Å; M25-F43 HydrophobicContact CE-CD2 4.14Å; M25-F43 HydrophobicContact CE-CE1 4.46Å; M25-F43 HydrophobicContact CE-CG 3.67Å; K26-F43 CarbonylContact O-C 3.59Å; K26-F43 VanDerWaalsContact O-CA 3.25Å; K26-F43 WeakPolarHBondContact O-CA 3.18Å; L27-F43 HydrophobicContact CB-CD1 4.25Å; L27-F43 HydrophobicContact CB-CE1 4Å; L27-F43 HydrophobicContact CD1-CD1 4.28Å; L27-F43 HydrophobicContact CD1-CE1 3.54Å; L27-F43 HydrophobicContact CD1-CZ 3.71Å; L27-F43 HydrophobicContact CG-CE1 4.37Å; V41-F43 HydrophobicContact CB-CD2 4.48Å; V41-F43 HydrophobicContact CB-CE2 3.81Å; V41-F43 HydrophobicContact CB-CZ 4.42Å; V41-F43 HydrophobicContact CG1-CD2 4.11Å; V41-F43 HydrophobicContact CG1-CE1 4.49Å; V41-F43 HydrophobicContact CG1-CE2 3.44Å; V41-F43 VanDerWaalsContact CG1-CE2 3.44Å; V41-F43 HydrophobicContact CG1-CZ 3.66Å; F43-V45 HydrophobicContact CB-CG1 4.02Å; F43-L58 HydrophobicContact CE2-CD1 4.15Å; F43-L58 HydrophobicContact CZ-CD2 4.24Å; F43-V107 CarbonylContact O-C 3.53Å; F43-V107 WeakPolarHBondContact O-CA 3.38Å; F43-A108 HydrophobicContact CB-CB 4.41Å; F43-A108 PolarHBondContact N-O 2.93Å; F43-A108 PolarHBondContact O-N 2.67Å; F43-V110 HydrophobicContact CD2-CB 4.19Å; F43-V110 HydrophobicContact CD2-CG2 3.6Å; F43-V110 HydrophobicContact CE2-CB 4.06Å; F43-V110 HydrophobicContact CE2-CG2 3.85Å
44I97.6Very high94.1Very high38 Ų3851.3 Ų51.320%0.19527%0.272CS..EExtended strand (participates in β ladder)trans-97.7132.2157-69.1174.9000107W24 M25 K26 V28 I105 T106W24-I44 HydrophobicContact CH2-CG2 4.04Å; W24-I44 HydrophobicContact CZ3-CG2 3.86Å; M25-I44 CarbonylContact C-O 3.57Å; M25-I44 WeakPolarHBondContact CA-O 3.33Å; K26-I44 HydrophobicContact CB-CB 4.47Å; K26-I44 PolarHBondContact N-O 3.41Å; K26-I44 PolarHBondContact O-N 3.09Å; V28-I44 HydrophobicContact CG2-CB 4.14Å; V28-I44 HydrophobicContact CG2-CD1 3.64Å; V28-I44 HydrophobicContact CG2-CG1 3.66Å; I44-I105 HydrophobicContact CB-CG2 4.19Å; I44-I105 HydrophobicContact CD1-CG2 3.84Å; I44-I105 HydrophobicContact CG1-CG2 3.78Å; I44-I105 HydrophobicContact CG2-CG2 3.41Å; I44-I105 VanDerWaalsContact CG2-CG2 3.41Å; I44-T106 WeakPolarHBondContact CA-O 3.27Å
45V97Very high94.6Very high2 Ų253.2 Ų53.21%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-127159-174.9-56.20000110.5M25 F43 M49 V54 T106 A108M25-V45 HydrophobicContact CB-CG1 4.26Å; M25-V45 HydrophobicContact CE-CG1 3.59Å; M25-V45 HydrophobicContact CG-CB 4.1Å; M25-V45 HydrophobicContact CG-CG1 3.62Å; M25-V45 HydrophobicContact SD-CG1 3.96Å; F43-V45 HydrophobicContact CB-CG1 4.02Å; V45-M49 HydrophobicContact CB-SD 4.19Å; V45-V54 HydrophobicContact CB-CG2 4.43Å; V45-V54 HydrophobicContact CG1-CG2 4.04Å; V45-V54 HydrophobicContact CG2-CG2 4.4Å; V45-T106 HydrophobicContact CG2-CG2 3.58Å; V45-T106 PolarHBondContact N-O 2.97Å; V45-A108 HydrophobicContact CG1-CB 3.9Å; V45-A108 HydrophobicContact CG2-CB 4.36Å
46S95.7Very high95Very high6 Ų646.7 Ų46.74%0.04225%0.25CS..  trans-57.5143170.6-56.60000110.8W24 E48 M49W24-S46 PolarHBondContact N-OG 3.34Å; W24-S46 PolarHBondContact NE1-OG 3.48Å; W24-S46 PolarHBondContact O-N 3.48Å; W24-S46 VanDerWaalsContact O-N 3.08Å; W24-S46 PolarHBondContact O-OG 3.17Å; S46-E48 PolarHBondContact O-N 3.48Å; S46-E48 VanDerWaalsContact O-N 3.17Å; S46-M49 WeakPolarHBondContact O-CB 3.48Å; S46-M49 PolarHBondContact O-N 2.67Å; S46-M49 VanDerWaalsContact O-N 3.12Å
47P93.7Very high95.3Very high95 Ų9546 Ų4662%0.61725%0.245SC*.THydrogen-bonded Turntrans-66-21.3-172.625.7-34.6000114.5M49 T106P47-M49 VanDerWaalsContact C-N 3.26Å; P47-M49 PolarHBondContact O-N 2.84Å; P47-T106 WeakPolarHBondContact CA-OG1 3.17Å
48E91.9Very high95.5Very high85 Ų8541.3 Ų41.340%0.39722%0.22SC..THydrogen-bonded Turntrans-79.6-7179.1-58.5172.5170.500113.4T3 S46T3-E48 WeakPolarHBondContact CA-OE1 3.47Å; T3-E48 WeakPolarHBondContact CA-OE2 3.41Å; T3-E48 WeakPolarHBondContact CG2-OE1 3.3Å; T3-E48 VanDerWaalsContact CG2-OE2 3.25Å; T3-E48 WeakPolarHBondContact CG2-OE2 3.39Å; T3-E48 PolarHBondContact N-OE2 3.06Å; S46-E48 PolarHBondContact O-N 3.48Å; S46-E48 VanDerWaalsContact O-N 3.17Å
49M93.7Very high95.6Very high4 Ų443.6 Ų43.62%0.0222%0.222CC..  trans-86.4128.3-177.5-66.1-17473.600111.8M1 C23 M25 V45 S46 P47 D53 V54 Y57M1-M49 HydrophobicContact CG-CE 4.25Å; M1-M49 HydrophobicContact SD-CE 3.9Å; C23-M49 HydrophobicContact CB-CG 3.93Å; C23-M49 HydrophobicContact CB-SD 3.7Å; M25-M49 HydrophobicContact CG-CE 4.2Å; M25-M49 HydrophobicContact CG-SD 3.93Å; M25-M49 HydrophobicContact SD-CE 3.86Å; M25-M49 HydrophobicContact SD-SD 4.35Å; V45-M49 HydrophobicContact CB-SD 4.19Å; S46-M49 WeakPolarHBondContact O-CB 3.48Å; S46-M49 PolarHBondContact O-N 2.67Å; S46-M49 VanDerWaalsContact O-N 3.12Å; P47-M49 VanDerWaalsContact C-N 3.26Å; P47-M49 PolarHBondContact O-N 2.84Å; M49-D53 HydrophobicContact CB-CB 4.36Å; M49-D53 HydrophobicContact CE-CB 4.33Å; M49-V54 HydrophobicContact CB-CG2 4.12Å; M49-V54 HydrophobicContact CE-CB 4.47Å; M49-V54 HydrophobicContact CE-CG2 3.81Å; M49-Y57 HydrophobicContact CE-CD2 4.49Å; M49-Y57 HydrophobicContact CE-CG 4.25Å
50N93.9Very high95.6Very high109 Ų10948.9 Ų48.958%0.58324%0.244SC*.  trans-85.9171.6170.3-67.6-25.3000112.3D52 D53 V54N50-D52 VanDerWaalsContact C-N 3.31Å; N50-D52 PolarHBondContact O-N 3.33Å; N50-D53 HydrophobicContact CB-CB 4.46Å; N50-D53 WeakPolarHBondContact O-CB 3.46Å; N50-D53 PolarHBondContact O-N 2.9Å; N50-V54 WeakPolarHBondContact O-CG2 3.2Å; N50-V54 PolarHBondContact O-N 3.35Å
51A96.7Very high95.5Very high30 Ų3051.3 Ų51.325%0.24826%0.257CS..Hα-helixtrans-58.9-40.817600000112.9V54 R55 V69 V71A51-V54 PolarHBondContact O-N 2.92Å; A51-R55 WeakPolarHBondContact O-CB 3.36Å; A51-R55 PolarHBondContact O-N 2.87Å; A51-V69 HydrophobicContact CB-CB 4.25Å; A51-V69 HydrophobicContact CB-CG1 4.3Å; A51-V71 HydrophobicContact CB-CG2 4Å
52D95.2Very high95.5Very high102 Ų10257.6 Ų57.655%0.54528%0.28SS..Hα-helixtrans-67.4-38.8177.4-65.6-33.2000112.1N50 R55 E56N50-D52 VanDerWaalsContact C-N 3.31Å; N50-D52 PolarHBondContact O-N 3.33Å; D52-R55 PolarHBondContact O-N 3.45Å; D52-R55 IonicContact OD1-CZ 3.2Å; D52-R55 IonicContact OD1-NH1 2.79Å; D52-R55 PolarHBondContact OD1-NH1 3.23Å; D52-R55 IonicContact OD1-NH2 2.79Å; D52-E56 WeakPolarHBondContact O-CB 3.49Å; D52-E56 PolarHBondContact O-N 3.38Å
53D94.7Very high95.5Very high38 Ų3863.5 Ų63.520%0.20331%0.313CS..Hα-helixtrans-60.5-49175.2-80.9-4.2000110.7M1 M49 N50 R55 E56 Y57M1-D53 HydrophobicContact CG-CB 3.35Å; M1-D53 WeakPolarHBondContact CG-OD2 3.31Å; M1-D53 PolarHBondContact N-OD2 2.84Å; M1-D53 HydrophobicContact SD-CB 3.92Å; M49-D53 HydrophobicContact CB-CB 4.36Å; M49-D53 HydrophobicContact CE-CB 4.33Å; N50-D53 HydrophobicContact CB-CB 4.46Å; N50-D53 WeakPolarHBondContact O-CB 3.46Å; N50-D53 PolarHBondContact O-N 2.9Å; D53-R55 PolarHBondContact O-N 3Å; D53-E56 PolarHBondContact O-N 2.81Å; D53-Y57 WeakPolarHBondContact O-CB 3.41Å; D53-Y57 PolarHBondContact O-N 3.18Å
54V96.8Very high95.4Very high0 Ų064.2 Ų64.20%032%0.319CS..Hα-helixtrans-61-44.2176.6171.20000111.3M25 V45 M49 N50 A51 E56 Y57 L58 V69 A108 V110M25-V54 HydrophobicContact CE-CG1 3.68Å; M25-V54 HydrophobicContact SD-CG1 4.16Å; M25-V54 HydrophobicContact SD-CG2 4.37Å; V45-V54 HydrophobicContact CB-CG2 4.43Å; V45-V54 HydrophobicContact CG1-CG2 4.04Å; V45-V54 HydrophobicContact CG2-CG2 4.4Å; M49-V54 HydrophobicContact CB-CG2 4.12Å; M49-V54 HydrophobicContact CE-CB 4.47Å; M49-V54 HydrophobicContact CE-CG2 3.81Å; N50-V54 WeakPolarHBondContact O-CG2 3.2Å; N50-V54 PolarHBondContact O-N 3.35Å; A51-V54 PolarHBondContact O-N 2.92Å; V54-E56 VanDerWaalsContact C-N 3.35Å; V54-E56 PolarHBondContact O-N 3.17Å; V54-Y57 PolarHBondContact O-N 2.85Å; V54-L58 HydrophobicContact CG1-CD1 4.09Å; V54-L58 WeakPolarHBondContact O-CB 3.18Å; V54-L58 WeakPolarHBondContact O-CG 3.47Å; V54-L58 PolarHBondContact O-N 2.78Å; V54-V69 HydrophobicContact CB-CG1 4.01Å; V54-V69 HydrophobicContact CG1-CG1 3.75Å; V54-V69 HydrophobicContact CG1-CG2 4.38Å; V54-A108 HydrophobicContact CG1-CB 4.29Å; V54-V110 HydrophobicContact CG1-CG2 4.09Å
55R96.9Very high95.4Very high73 Ų7365.2 Ų65.228%0.27533%0.328SS..Hα-helixtrans-58.4-48.9177.3-172.9-171.6-63.7123.92.4110.7A51 D52 D53 K59 V66 D68 V69A51-R55 WeakPolarHBondContact O-CB 3.36Å; A51-R55 PolarHBondContact O-N 2.87Å; D52-R55 PolarHBondContact O-N 3.45Å; D52-R55 IonicContact OD1-CZ 3.2Å; D52-R55 IonicContact OD1-NH1 2.79Å; D52-R55 PolarHBondContact OD1-NH1 3.23Å; D52-R55 IonicContact OD1-NH2 2.79Å; D53-R55 PolarHBondContact O-N 3Å; R55-K59 VanDerWaalsContact O-CB 3.24Å; R55-K59 WeakPolarHBondContact O-CB 3.46Å; R55-K59 PolarHBondContact O-N 3.4Å; R55-V66 HydrophobicContact CG-CB 4.14Å; R55-V66 HydrophobicContact CG-CG1 4Å; R55-D68 IonicContact NH2-OD1 3.19Å; R55-V69 HydrophobicContact CB-CG2 3.94Å
56E95.1Very high95.4Very high64 Ų6466.3 Ų66.330%0.29933%0.334SS..Hα-helixtrans-72.7-35.4-175.7-163.567.4176.200112.3D52 D53 V54 K59 K60D52-E56 WeakPolarHBondContact O-CB 3.49Å; D52-E56 PolarHBondContact O-N 3.38Å; D53-E56 PolarHBondContact O-N 2.81Å; V54-E56 VanDerWaalsContact C-N 3.35Å; V54-E56 PolarHBondContact O-N 3.17Å; E56-K59 PolarHBondContact O-N 2.93Å; E56-K60 HydrophobicContact CG-CD 3.83Å; E56-K60 HydrophobicContact CG-CG 4.12Å; E56-K60 VanDerWaalsContact O-CB 3.26Å; E56-K60 WeakPolarHBondContact O-CB 3.23Å; E56-K60 PolarHBondContact O-N 2.75Å; E56-K60 WeakPolarHBondContact OE1-CD 3.39Å; E56-K60 WeakPolarHBondContact OE1-CE 3.48Å; E56-K60 IonicContact OE1-NZ 2.72Å; E56-K60 PolarHBondContact OE1-NZ 3.48Å
57Y95.4Very high95.4Very high31 Ų3173.5 Ų73.512%0.12236%0.361CS..Hα-helixtrans-60.2-50.3173.9-169.9-93.4000111.1M1 P21 M25 M49 D53 V54 K59 I61 Y62M1-Y57 HydrophobicContact SD-CD2 3.87Å; M1-Y57 HydrophobicContact SD-CG 4.38Å; P21-Y57 HydrophobicContact CG-CE2 4.13Å; M25-Y57 HydrophobicContact CG-CD1 4.36Å; M25-Y57 HydrophobicContact CG-CE1 4.31Å; M25-Y57 HydrophobicContact SD-CD1 3.61Å; M25-Y57 HydrophobicContact SD-CE1 4.11Å; M25-Y57 HydrophobicContact SD-CG 4.31Å; M49-Y57 HydrophobicContact CE-CD2 4.49Å; M49-Y57 HydrophobicContact CE-CG 4.25Å; D53-Y57 WeakPolarHBondContact O-CB 3.41Å; D53-Y57 PolarHBondContact O-N 3.18Å; V54-Y57 PolarHBondContact O-N 2.85Å; Y57-K59 PolarHBondContact O-N 3.39Å; Y57-I61 HydrophobicContact CD1-CD1 4.28Å; Y57-I61 HydrophobicContact CD2-CD1 3.43Å; Y57-I61 VanDerWaalsContact CD2-CD1 3.43Å; Y57-I61 HydrophobicContact CE1-CD1 4.13Å; Y57-I61 HydrophobicContact CE2-CD1 3.24Å; Y57-I61 HydrophobicContact CG-CD1 3.95Å; Y57-I61 VanDerWaalsContact O-CB 3.31Å; Y57-I61 WeakPolarHBondContact O-CB 3.36Å; Y57-I61 PolarHBondContact O-N 2.69Å; Y57-Y62 HydrophobicContact CD1-CE2 4.25Å; Y57-Y62 HydrophobicContact CE1-CD2 4.44Å; Y57-Y62 AromaticContact CE1-CE2 3.73Å; Y57-Y62 HydrophobicContact CE1-CE2 3.73Å
58L96.4Very high95.5Very high8 Ų872.6 Ų72.64%0.04235%0.351CS..Hα-helixtrans-65.7-38.4177.7-71.2175.8000112.6M25 F43 V54 Y62 N63 V64 V66 V110M25-L58 HydrophobicContact CE-CD1 4.17Å; M25-L58 HydrophobicContact CE-CD2 4.15Å; M25-L58 HydrophobicContact CE-CG 4.15Å; F43-L58 HydrophobicContact CE2-CD1 4.15Å; F43-L58 HydrophobicContact CZ-CD2 4.24Å; V54-L58 HydrophobicContact CG1-CD1 4.09Å; V54-L58 WeakPolarHBondContact O-CB 3.18Å; V54-L58 WeakPolarHBondContact O-CG 3.47Å; V54-L58 PolarHBondContact O-N 2.78Å; L58-Y62 HydrophobicContact CD2-CD2 4.22Å; L58-Y62 CarbonylContact O-C 3.45Å; L58-Y62 WeakPolarHBondContact O-CB 3.4Å; L58-Y62 PolarHBondContact O-N 3.16Å; L58-N63 PolarHBondContact O-N 3.28Å; L58-N63 VanDerWaalsContact O-N 3.17Å; L58-V64 HydrophobicContact CB-CB 4.4Å; L58-V64 PolarHBondContact O-N 3.47Å; L58-V64 VanDerWaalsContact O-N 3.07Å; L58-V66 HydrophobicContact CB-CG2 3.86Å; L58-V66 HydrophobicContact CD1-CG2 3.96Å; L58-V110 HydrophobicContact CD1-CB 4.41Å; L58-V110 HydrophobicContact CD1-CG1 3.86Å; L58-V110 HydrophobicContact CD1-CG2 3.82Å
59K96.1Very high95.8Very high126 Ų12668.9 Ų68.955%0.54833%0.334SS..Hα-helixtrans-71.4-44.8179.8-173.9-179.2178.1-175.60112.5R55 E56 Y57 N63R55-K59 VanDerWaalsContact O-CB 3.24Å; R55-K59 WeakPolarHBondContact O-CB 3.46Å; R55-K59 PolarHBondContact O-N 3.4Å; E56-K59 PolarHBondContact O-N 2.93Å; Y57-K59 PolarHBondContact O-N 3.39Å; K59-N63 VanDerWaalsContact O-CA 3.27Å; K59-N63 WeakPolarHBondContact O-CA 2.99Å; K59-N63 PolarHBondContact O-N 3Å; K59-N63 PolarHBondContact O-OD1 3.33Å
60K94.3Very high95.9Very high135 Ų13574 Ų7459%0.58736%0.361SS*.Hα-helixtrans-81.8-38.8-175-75.4-173.6164.4135.60113.8E56E56-K60 HydrophobicContact CG-CD 3.83Å; E56-K60 HydrophobicContact CG-CG 4.12Å; E56-K60 VanDerWaalsContact O-CB 3.26Å; E56-K60 WeakPolarHBondContact O-CB 3.23Å; E56-K60 PolarHBondContact O-N 2.75Å; E56-K60 WeakPolarHBondContact OE1-CD 3.39Å; E56-K60 WeakPolarHBondContact OE1-CE 3.48Å; E56-K60 IonicContact OE1-NZ 2.72Å; E56-K60 PolarHBondContact OE1-NZ 3.48Å
61I95.3Very high96.1Very high88 Ų8871 Ų7145%0.45135%0.346SS..Hα-helixtrans-90.6-44.5-174.1-58.9176.5000110.7Y57Y57-I61 HydrophobicContact CD1-CD1 4.28Å; Y57-I61 HydrophobicContact CD2-CD1 3.43Å; Y57-I61 VanDerWaalsContact CD2-CD1 3.43Å; Y57-I61 HydrophobicContact CE1-CD1 4.13Å; Y57-I61 HydrophobicContact CE2-CD1 3.24Å; Y57-I61 HydrophobicContact CG-CD1 3.95Å; Y57-I61 VanDerWaalsContact O-CB 3.31Å; Y57-I61 WeakPolarHBondContact O-CB 3.36Å; Y57-I61 PolarHBondContact O-N 2.69Å
62Y95.9Very high96.1Very high139 Ų13974.7 Ų74.755%0.54535%0.354SS..SBendtrans-103.6-1.2-174.8-64.2-83.3000113.9Y57 L58 V64Y57-Y62 HydrophobicContact CD1-CE2 4.25Å; Y57-Y62 HydrophobicContact CE1-CD2 4.44Å; Y57-Y62 AromaticContact CE1-CE2 3.73Å; Y57-Y62 HydrophobicContact CE1-CE2 3.73Å; L58-Y62 HydrophobicContact CD2-CD2 4.22Å; L58-Y62 CarbonylContact O-C 3.45Å; L58-Y62 WeakPolarHBondContact O-CB 3.4Å; L58-Y62 PolarHBondContact O-N 3.16Å; Y62-V64 PolarHBondContact O-N 3.18Å; Y62-V64 VanDerWaalsContact O-N 3.16Å
63N96.4Very high96.1Very high134 Ų13474.6 Ų74.672%0.71736%0.357SS*.  trans53.732.3-177.6-62.5-42.1000113.8L58 K59L58-N63 PolarHBondContact O-N 3.28Å; L58-N63 VanDerWaalsContact O-N 3.17Å; K59-N63 VanDerWaalsContact O-CA 3.27Å; K59-N63 WeakPolarHBondContact O-CA 2.99Å; K59-N63 PolarHBondContact O-N 3Å; K59-N63 PolarHBondContact O-OD1 3.33Å
64V95.5Very high96.2Very high42 Ų4275.2 Ų75.226%0.25536%0.359SS..  trans-85.5128-178.5178.50000110.1L58 Y62 V66 L112L58-V64 HydrophobicContact CB-CB 4.4Å; L58-V64 PolarHBondContact O-N 3.47Å; L58-V64 VanDerWaalsContact O-N 3.07Å; Y62-V64 PolarHBondContact O-N 3.18Å; Y62-V64 VanDerWaalsContact O-N 3.16Å; V64-V66 HydrophobicContact CB-CG2 4.45Å; V64-V66 HydrophobicContact CG1-CG2 4.06Å; V64-V66 PolarHBondContact O-N 3.31Å; V64-L112 HydrophobicContact CG1-CD2 3.41Å; V64-L112 VanDerWaalsContact CG1-CD2 3.41Å
65P96.1Very high96.1Very high58 Ų5881.9 Ų81.938%0.37739%0.39SS..  trans-7791.4175.431.9-35.1000110.5R113 L116P65-R113 PolarHBondContact O-N 2.98Å; P65-L116 HydrophobicContact CG-CD1 3.26Å
66V97Very high95.8Very high25 Ų2578.9 Ų78.915%0.15238%0.382CS..EExtended strand (participates in β ladder)trans-86.5130.4176.4179.80000110.3R55 L58 V64 V69 V110R55-V66 HydrophobicContact CG-CB 4.14Å; R55-V66 HydrophobicContact CG-CG1 4Å; L58-V66 HydrophobicContact CB-CG2 3.86Å; L58-V66 HydrophobicContact CD1-CG2 3.96Å; V64-V66 HydrophobicContact CB-CG2 4.45Å; V64-V66 HydrophobicContact CG1-CG2 4.06Å; V64-V66 PolarHBondContact O-N 3.31Å; V66-V69 HydrophobicContact CG1-CG2 3.46Å; V66-V69 VanDerWaalsContact CG1-CG2 3.46Å; V66-V110 HydrophobicContact CB-CG1 4.31Å; V66-V110 HydrophobicContact CG1-CG1 3.67Å; V66-V110 HydrophobicContact CG2-CG1 3.78Å
67R95.8Very high95.5Very high158 Ų15883 Ų8360%0.59640%0.398SS*.EExtended strand (participates in β ladder)trans-88.9-56.2174.4-176.9179-175.1-174.6-3111.1T111 K114R67-T111 WeakPolarHBondContact CB-O 3.5Å; R67-T111 PolarHBondContact N-O 3.12Å; R67-K114 VanDerWaalsContact NH1-CE 3.3Å
68D96.7Very high94.8Very high76 Ų7687 Ų8741%0.40642%0.42SS..EExtended strand (participates in β ladder)trans-146.5151.6-177.7-170.632.3000111.2R55 T111R55-D68 IonicContact NH2-OD1 3.19Å; D68-T111 WeakPolarHBondContact CA-OG1 3.32Å; D68-T111 VanDerWaalsContact CB-OG1 3.3Å; D68-T111 WeakPolarHBondContact CB-OG1 3.41Å; D68-T111 PolarHBondContact N-O 2.78Å; D68-T111 PolarHBondContact N-OG1 2.94Å; D68-T111 VanDerWaalsContact N-OG1 3.09Å; D68-T111 PolarHBondContact O-N 3.37Å; D68-T111 PolarHBondContact O-OG1 3.2Å
69V97.6Very high93.8Very high6 Ų690.1 Ų90.14%0.03644%0.436CS..EExtended strand (participates in β ladder)trans-132122.6-177.7-176.70000108.7A51 V54 R55 V66 V71 A108 F109 V110A51-V69 HydrophobicContact CB-CB 4.25Å; A51-V69 HydrophobicContact CB-CG1 4.3Å; V54-V69 HydrophobicContact CB-CG1 4.01Å; V54-V69 HydrophobicContact CG1-CG1 3.75Å; V54-V69 HydrophobicContact CG1-CG2 4.38Å; R55-V69 HydrophobicContact CB-CG2 3.94Å; V66-V69 HydrophobicContact CG1-CG2 3.46Å; V66-V69 VanDerWaalsContact CG1-CG2 3.46Å; V69-V71 HydrophobicContact CG1-CG2 3.91Å; V69-A108 HydrophobicContact CG1-CB 4.35Å; V69-F109 WeakPolarHBondContact CA-O 3.45Å; V69-V110 HydrophobicContact CG1-CG2 4.2Å; V69-V110 HydrophobicContact CG2-CG1 4.44Å; V69-V110 HydrophobicContact CG2-CG2 4.28Å
70N97Very high92.2Very high112 Ų11293.5 Ų93.560%0.59945%0.445SS*.EExtended strand (participates in β ladder)trans-113118176.1-130-24.2000109.3A108 F109N70-A108 CarbonylContact O-C 3.53Å; N70-A108 WeakPolarHBondContact O-CA 3.22Å; N70-F109 HydrophobicContact CB-CB 4.49Å; N70-F109 PolarHBondContact N-O 2.83Å; N70-F109 PolarHBondContact O-N 2.93Å
71V97.2Very high90.6Very high45 Ų4589.5 Ų89.527%0.27343%0.43SS..EExtended strand (participates in β ladder)trans-108.3133.6-176.3-176.30000109.4A51 V69 T106 V107 A108A51-V71 HydrophobicContact CB-CG2 4Å; V69-V71 HydrophobicContact CG1-CG2 3.91Å; V71-T106 HydrophobicContact CG1-CG2 3.29Å; V71-V107 CarbonylContact C-O 3.56Å; V71-V107 WeakPolarHBondContact CA-O 3.47Å; V71-A108 HydrophobicContact CG2-CB 4.08Å
72R96.3Very high88.7Confident109 Ų10992.9 Ų92.941%0.41145%0.448SS..EExtended strand (participates in β ladder)trans-133145.3173.469.8178.8-170-157.9-1.6110.4E34 E74 V107 F109E34-R72 IonicContact OE1-NH2 3.83Å; E34-R72 PolarHBondContact OE1-NH2 2.84Å; E34-R72 VanDerWaalsContact OE1-NH2 3.15Å; R72-E74 IonicContact CZ-OE1 2.64Å; R72-E74 IonicContact NE-OE1 3.84Å; R72-E74 PolarHBondContact NE-OE1 3.08Å; R72-E74 IonicContact NH2-OE1 3.61Å; R72-E74 PolarHBondContact NH2-OE1 2.83Å; R72-V107 HydrophobicContact CG-CB 4.1Å; R72-V107 PolarHBondContact N-O 3.15Å; R72-V107 PolarHBondContact O-N 2.85Å; R72-F109 HydrophobicContact CG-CE2 4.23Å; R72-F109 VanDerWaalsContact CZ-CE2 3.4Å
73V96.6Very high86.7Confident99 Ų9996 Ų9660%0.646%0.464SS*.EExtended strand (participates in β ladder)trans-94121.4170.9-176.60000108D104 T106V73-D104 HydrophobicContact CG1-CB 4.17Å; V73-T106 HydrophobicContact CG2-CG2 4.36Å
74E95.3Very high84.5Confident52 Ų5296.1 Ų96.124%0.24346%0.461CS..EExtended strand (participates in β ladder)trans-94.5125.9172-69.9-175.3-169.200109.1R72 D104 I105 V107R72-E74 IonicContact CZ-OE1 2.64Å; R72-E74 IonicContact NE-OE1 3.84Å; R72-E74 PolarHBondContact NE-OE1 3.08Å; R72-E74 IonicContact NH2-OE1 3.61Å; R72-E74 PolarHBondContact NH2-OE1 2.83Å; E74-D104 WeakPolarHBondContact O-CA 3.46Å; E74-I105 PolarHBondContact N-O 2.95Å; E74-I105 PolarHBondContact O-N 2.72Å; E74-V107 HydrophobicContact CB-CG2 4.5Å; E74-V107 HydrophobicContact CG-CG2 3.98Å
75Q95.2Very high82.4Confident140 Ų14097.9 Ų97.965%0.65446%0.463SS*.PPolyproline II helixtrans-74.7132.7178.9-167.2177.6-18.100110.5D104Q75-D104 VanDerWaalsContact CA-OD1 3.3Å; Q75-D104 WeakPolarHBondContact CA-OD1 3.47Å; Q75-D104 WeakPolarHBondContact CG-OD1 3.37Å
76G91.6Very high80.4Confident10 Ų10103.8 Ų103.810%0.10349%0.492CS..PPolyproline II helixtrans-68153.3172.800000111.5E102 D104G76-E102 WeakPolarHBondContact CA-O 3.44Å; G76-D104 PolarHBondContact N-OD1 3.22Å
77K87.5Confident78.2Confident149 Ų149106.6 Ų106.665%0.64851%0.512SS*.PPolyproline II helixtrans-68.2139.6-179.5-62.8175.9-177.1174.30110.2E102K77-E102 WeakPolarHBondContact CB-OE2 3.43Å; K77-E102 PolarHBondContact N-OE2 3.48Å; K77-E102 PolarHBondContact O-N 3.24Å
78M82.1Confident76Confident117 Ų117104.9 Ų104.958%0.57652%0.522SS*.EExtended strand (participates in β ladder)trans-90.7107.5168.5-68.6-178.811600108.5V99 K101M78-V99 HydrophobicContact CB-CG1 4Å; M78-V99 HydrophobicContact CE-CG1 4.1Å; M78-V99 HydrophobicContact CG-CG1 4.39Å; M78-K101 HydrophobicContact CE-CD 4.37Å; M78-K101 HydrophobicContact CG-CB 4.34Å; M78-K101 HydrophobicContact CG-CD 4.37Å; M78-K101 HydrophobicContact CG-CG 3.87Å
79I73.7Confident73.8Confident72 Ų72103.9 Ų103.937%0.36952%0.521SS..EExtended strand (participates in β ladder)trans-94.2120.6177.4-55.4174.2000107.3L81 D100 E102I79-L81 HydrophobicContact CG2-CD2 3.8Å; I79-L81 HydrophobicContact CG2-CG 4.1Å; I79-L81 PolarHBondContact O-N 2.86Å; I79-D100 PolarHBondContact N-O 2.94Å; I79-D100 PolarHBondContact O-N 3.05Å; I79-E102 HydrophobicContact CD1-CG 4.38Å
80R63.9Low71.5Confident197 Ų197116.3 Ų116.374%0.74357%0.567SS**EExtended strand (participates in β ladder)trans-90.598.5168.6-64.6-175.2-178.8176.60.6107.3L82 V99R80-L82 PolarHBondContact O-N 2.89Å; R80-L82 VanDerWaalsContact O-N 3.14Å; R80-V99 HydrophobicContact CG-CG2 4.3Å
81L60.9Low69.3Low51 Ų51118.6 Ų118.627%0.26758%0.576SS.*  trans-74.6104.3170.5-66.9179.2000107.7I79 K83 D100I79-L81 HydrophobicContact CG2-CD2 3.8Å; I79-L81 HydrophobicContact CG2-CG 4.1Å; I79-L81 PolarHBondContact O-N 2.86Å; L81-K83 PolarHBondContact O-N 2.78Å; L81-D100 VanDerWaalsContact CD1-OD2 3.32Å; L81-D100 WeakPolarHBondContact CD1-OD2 3.37Å
82L55.3Low67.1Low160 Ų160117 Ų11784%0.83857%0.568SS**SBendtrans-74.6-5.7-175.7-121.7108.9000113.4R80R80-L82 PolarHBondContact O-N 2.89Å; R80-L82 VanDerWaalsContact O-N 3.14Å
83K53.5Low65Low204 Ų204114.6 Ų114.689%0.88758%0.577SS**SBendtrans-142.21.6-161.5-98.7-174.8175.6-176.90118.4L81L81-K83 PolarHBondContact O-N 2.78Å
84E50.7Low63Low137 Ų137118 Ų11864%0.6459%0.589SS**  trans-119.929.9-156.3-146.3167.6-16900117.4
85Y50.9Low60.9Low78 Ų78122.7 Ų122.731%0.30661%0.611SS.*  trans-135.999170.2-56.5-79.9000111.5S87 V98 D100Y85-S87 WeakPolarHBondContact CB-O 3.33Å; Y85-S87 PolarHBondContact O-N 3.15Å; Y85-V98 HydrophobicContact CD2-CB 4.03Å; Y85-V98 HydrophobicContact CD2-CG2 3.55Å; Y85-V98 HydrophobicContact CE2-CB 3.48Å; Y85-V98 VanDerWaalsContact CE2-CB 3.48Å; Y85-V98 HydrophobicContact CE2-CG1 4.22Å; Y85-V98 HydrophobicContact CE2-CG2 3.44Å; Y85-V98 VanDerWaalsContact CE2-CG2 3.44Å; Y85-V98 HydrophobicContact CG-CG2 4.21Å; Y85-D100 PolarHBondContact OH-OD1 3.08Å; Y85-D100 PolarHBondContact OH-OD2 3.27Å
86D54.6Low58.8Low182 Ų182118.1 Ų118.197%0.97360%0.602SS**SBendtrans-68.9-7.9163.9-87.7-18000112.1
87S49.8Very low57.1Low84 Ų84127.6 Ų127.659%0.58763%0.634SS**SBendtrans-135.5133.2-179.8-54.70000110.3Y85 S89Y85-S87 WeakPolarHBondContact CB-O 3.33Å; Y85-S87 PolarHBondContact O-N 3.15Å; S87-S89 PolarHBondContact O-N 3.12Å
88P49.6Very low55.9Low122 Ų122120.9 Ų120.979%0.79261%0.606SS**  trans-63.9109.6-17925.7-32.9000110.6
89S50Low55.3Low55 Ų55118.1 Ų118.139%0.38560%0.595SS.*  trans-71.5143.9165.4-87.10000109.4S87 M91 A92S87-S89 PolarHBondContact O-N 3.12Å; S89-M91 PolarHBondContact O-N 3.17Å; S89-A92 PolarHBondContact O-N 3.45Å
90R50.5Low55.4Low268 Ų268117.5 Ų117.5100%1.01159%0.593SS**THydrogen-bonded Turntrans-54-16.2-176.8-73.4-177.2179.9127.1-1115.4
91M50Low56.4Low160 Ų160112.4 Ų112.479%0.78858%0.576SS**THydrogen-bonded Turntrans-95.2-14.7175.6-75.6177.259.200114.3S89S89-M91 PolarHBondContact O-N 3.17Å
92A50.5Low57.7Low12 Ų12114 Ų11410%0.09958%0.582CS.*SBendtrans-84.111517100000107.7S89 V98S89-A92 PolarHBondContact O-N 3.45Å; A92-V98 HydrophobicContact CB-CG2 3.29Å
93G53.5Low59.5Low58 Ų58111.4 Ų111.460%0.59858%0.575SS**  trans-58-178.9165.100000111.8H95 G96G93-H95 PolarHBondContact O-N 2.94Å; G93-G96 PolarHBondContact O-N 3.28Å; G93-G96 VanDerWaalsContact O-N 3.09Å
94I53.3Low61.5Low169 Ų169105.1 Ų105.187%0.86755%0.551SS**THydrogen-bonded Turntrans-48.3-18.8-175-65.7165.2000114.8
95H52Low63.7Low152 Ų152102 Ų10270%0.70454%0.538SS*.THydrogen-bonded Turntrans-11129.1-177-63.889000115.1G93 R97G93-H95 PolarHBondContact O-N 2.94Å; H95-R97 WeakPolarHBondContact O-CG 3.43Å; H95-R97 PolarHBondContact O-N 3.01Å
96G51.9Low65.9Low44 Ų4498.5 Ų98.545%0.45453%0.525SS..  trans60.46.5159.800000117.8G93 V98G93-G96 PolarHBondContact O-N 3.28Å; G93-G96 VanDerWaalsContact O-N 3.09Å; G96-V98 PolarHBondContact O-N 2.61Å
97R55.9Low67.9Low208 Ų20889.9 Ų89.979%0.78548%0.479SS*.  trans-92.595.3177.9-64.8-179.2-138.5-147.56.2108.7H95H95-R97 WeakPolarHBondContact O-CG 3.43Å; H95-R97 PolarHBondContact O-N 3.01Å
98V60.8Low70.2Confident8 Ų885.9 Ų85.95%0.04845%0.451CS..  trans-83.9129.1169-172.80000108.3Y85 A92 G96 D100Y85-V98 HydrophobicContact CD2-CB 4.03Å; Y85-V98 HydrophobicContact CD2-CG2 3.55Å; Y85-V98 HydrophobicContact CE2-CB 3.48Å; Y85-V98 VanDerWaalsContact CE2-CB 3.48Å; Y85-V98 HydrophobicContact CE2-CG1 4.22Å; Y85-V98 HydrophobicContact CE2-CG2 3.44Å; Y85-V98 VanDerWaalsContact CE2-CG2 3.44Å; Y85-V98 HydrophobicContact CG-CG2 4.21Å; A92-V98 HydrophobicContact CB-CG2 3.29Å; G96-V98 PolarHBondContact O-N 2.61Å; V98-D100 WeakPolarHBondContact CG1-OD1 3.25Å
99V70.1Confident72.4Confident60 Ų6081.1 Ų81.136%0.36442%0.418SS..EExtended strand (participates in β ladder)trans-95.9103.4166.8-177.20000106.6M78 R80 K101M78-V99 HydrophobicContact CB-CG1 4Å; M78-V99 HydrophobicContact CE-CG1 4.1Å; M78-V99 HydrophobicContact CG-CG1 4.39Å; R80-V99 HydrophobicContact CG-CG2 4.3Å; V99-K101 PolarHBondContact O-N 3.26Å
100D75.5Confident74.7Confident58 Ų5878.6 Ų78.631%0.3140%0.4SS..EExtended strand (participates in β ladder)trans-81.3118.8173.9-76.9-15.5000108.5I79 L81 Y85 V98I79-D100 PolarHBondContact N-O 2.94Å; I79-D100 PolarHBondContact O-N 3.05Å; L81-D100 VanDerWaalsContact CD1-OD2 3.32Å; L81-D100 WeakPolarHBondContact CD1-OD2 3.37Å; Y85-D100 PolarHBondContact OH-OD1 3.08Å; Y85-D100 PolarHBondContact OH-OD2 3.27Å; V98-D100 WeakPolarHBondContact CG1-OD1 3.25Å
101K84.4Confident76.9Confident90 Ų9067.5 Ų67.539%0.39136%0.362SS..EExtended strand (participates in β ladder)trans-102.7123.5176.8-168.7-171.1167.9-169.90108.7M78 V99 D104M78-K101 HydrophobicContact CE-CD 4.37Å; M78-K101 HydrophobicContact CG-CB 4.34Å; M78-K101 HydrophobicContact CG-CD 4.37Å; M78-K101 HydrophobicContact CG-CG 3.87Å; V99-K101 PolarHBondContact O-N 3.26Å; K101-D104 WeakPolarHBondContact CE-OD1 3.25Å; K101-D104 IonicContact NZ-OD1 2.88Å; K101-D104 PolarHBondContact NZ-OD1 3.16Å; K101-D104 IonicContact NZ-OD2 2.72Å; K101-D104 PolarHBondContact NZ-OD2 3.33Å
102E89.9Confident79.1Confident85 Ų8560.7 Ų60.740%0.39733%0.328SS..PPolyproline II helixtrans-59.8145.1166.3-67176.4167.100109.6G76 K77 I79 D104G76-E102 WeakPolarHBondContact CA-O 3.44Å; K77-E102 WeakPolarHBondContact CB-OE2 3.43Å; K77-E102 PolarHBondContact N-OE2 3.48Å; K77-E102 PolarHBondContact O-N 3.24Å; I79-E102 HydrophobicContact CD1-CG 4.38Å; E102-D104 PolarHBondContact O-N 2.89Å
103P92.1Very high81.2Confident106 Ų10667 Ų6769%0.68835%0.35SS*.PPolyproline II helixtrans-61.6139.9179.526.4-34.4000111
104D95.4Very high83Confident72 Ų7271 Ų7139%0.38535%0.351SS..PPolyproline II helixtrans-67.6143.7172.4-61.4-22.5000109.5V73 E74 Q75 G76 K101 E102V73-D104 HydrophobicContact CG1-CB 4.17Å; E74-D104 WeakPolarHBondContact O-CA 3.46Å; Q75-D104 VanDerWaalsContact CA-OD1 3.3Å; Q75-D104 WeakPolarHBondContact CA-OD1 3.47Å; Q75-D104 WeakPolarHBondContact CG-OD1 3.37Å; G76-D104 PolarHBondContact N-OD1 3.22Å; K101-D104 WeakPolarHBondContact CE-OD1 3.25Å; K101-D104 IonicContact NZ-OD1 2.88Å; K101-D104 PolarHBondContact NZ-OD1 3.16Å; K101-D104 IonicContact NZ-OD2 2.72Å; K101-D104 PolarHBondContact NZ-OD2 3.33Å; E102-D104 PolarHBondContact O-N 2.89Å
105I96.1Very high84.9Confident70 Ų7068 Ų6836%0.35934%0.337SS..EExtended strand (participates in β ladder)trans-120.7127.5-173-58.2176.6000109.1I44 E74 V107I44-I105 HydrophobicContact CB-CG2 4.19Å; I44-I105 HydrophobicContact CD1-CG2 3.84Å; I44-I105 HydrophobicContact CG1-CG2 3.78Å; I44-I105 HydrophobicContact CG2-CG2 3.41Å; I44-I105 VanDerWaalsContact CG2-CG2 3.41Å; E74-I105 PolarHBondContact N-O 2.95Å; E74-I105 PolarHBondContact O-N 2.72Å; I105-V107 HydrophobicContact CG2-CG2 4.22Å
106T97Very high86.9Confident5 Ų564.2 Ų64.23%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-87121.6172.5-550000109.9I44 V45 P47 V71 V73I44-T106 WeakPolarHBondContact CA-O 3.27Å; V45-T106 HydrophobicContact CG2-CG2 3.58Å; V45-T106 PolarHBondContact N-O 2.97Å; P47-T106 WeakPolarHBondContact CA-OG1 3.17Å; V71-T106 HydrophobicContact CG1-CG2 3.29Å; V73-T106 HydrophobicContact CG2-CG2 4.36Å
107V97.2Very high88.9Confident1 Ų168.6 Ų68.61%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-110.7128.9-177.7178.40000109K42 F43 V71 R72 E74 I105 F109K42-V107 HydrophobicContact CD-CG1 4.35Å; K42-V107 VanDerWaalsContact CE-CG1 3.45Å; K42-V107 HydrophobicContact CG-CG1 3.99Å; F43-V107 CarbonylContact O-C 3.53Å; F43-V107 WeakPolarHBondContact O-CA 3.38Å; V71-V107 CarbonylContact C-O 3.56Å; V71-V107 WeakPolarHBondContact CA-O 3.47Å; R72-V107 HydrophobicContact CG-CB 4.1Å; R72-V107 PolarHBondContact N-O 3.15Å; R72-V107 PolarHBondContact O-N 2.85Å; E74-V107 HydrophobicContact CB-CG2 4.5Å; E74-V107 HydrophobicContact CG-CG2 3.98Å; I105-V107 HydrophobicContact CG2-CG2 4.22Å; V107-F109 HydrophobicContact CG1-CD2 4.43Å; V107-F109 HydrophobicContact CG1-CE2 3.79Å; V107-F109 HydrophobicContact CG1-CZ 3.87Å
108A97.6Very high90.7Very high0 Ų062.5 Ų62.50%031%0.309CS..EExtended strand (participates in β ladder)trans-113.1126.1175.700000110.6F43 V45 V54 V69 N70 V71F43-A108 HydrophobicContact CB-CB 4.41Å; F43-A108 PolarHBondContact N-O 2.93Å; F43-A108 PolarHBondContact O-N 2.67Å; V45-A108 HydrophobicContact CG1-CB 3.9Å; V45-A108 HydrophobicContact CG2-CB 4.36Å; V54-A108 HydrophobicContact CG1-CB 4.29Å; V69-A108 HydrophobicContact CG1-CB 4.35Å; N70-A108 CarbonylContact O-C 3.53Å; N70-A108 WeakPolarHBondContact O-CA 3.22Å; V71-A108 HydrophobicContact CG2-CB 4.08Å
109F97Very high92.2Very high23 Ų2367 Ų6710%0.10134%0.34CS..EExtended strand (participates in β ladder)trans-97.4112.4168-64.3-79.1000108.9L36 M40 K42 V69 N70 R72 V107L36-F109 HydrophobicContact CD1-CD1 4.42Å; L36-F109 HydrophobicContact CD1-CE1 4.38Å; L36-F109 HydrophobicContact CD2-CD1 3.78Å; L36-F109 HydrophobicContact CD2-CE1 3.66Å; M40-F109 HydrophobicContact CG-CB 4.44Å; M40-F109 HydrophobicContact SD-CB 4.1Å; K42-F109 HydrophobicContact CB-CD1 4.45Å; K42-F109 HydrophobicContact CB-CE1 4.3Å; K42-F109 HydrophobicContact CD-CE1 4.07Å; K42-F109 HydrophobicContact CD-CZ 4.44Å; K42-F109 HydrophobicContact CG-CD1 4.44Å; K42-F109 HydrophobicContact CG-CE1 3.97Å; K42-F109 HydrophobicContact CG-CZ 4.5Å; V69-F109 WeakPolarHBondContact CA-O 3.45Å; N70-F109 HydrophobicContact CB-CB 4.49Å; N70-F109 PolarHBondContact N-O 2.83Å; N70-F109 PolarHBondContact O-N 2.93Å; R72-F109 HydrophobicContact CG-CE2 4.23Å; R72-F109 VanDerWaalsContact CZ-CE2 3.4Å; V107-F109 HydrophobicContact CG1-CD2 4.43Å; V107-F109 HydrophobicContact CG1-CE2 3.79Å; V107-F109 HydrophobicContact CG1-CZ 3.87Å
110V97.3Very high93.3Very high1 Ų167.2 Ų67.21%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-104.3119.5-176.3178.70000108.1M40 V41 F43 V54 L58 V66 V69 L112M40-V110 CarbonylContact C-O 3.59Å; M40-V110 WeakPolarHBondContact CA-O 3.46Å; V41-V110 PolarHBondContact N-O 2.79Å; V41-V110 PolarHBondContact O-N 3.44Å; F43-V110 HydrophobicContact CD2-CB 4.19Å; F43-V110 HydrophobicContact CD2-CG2 3.6Å; F43-V110 HydrophobicContact CE2-CB 4.06Å; F43-V110 HydrophobicContact CE2-CG2 3.85Å; V54-V110 HydrophobicContact CG1-CG2 4.09Å; L58-V110 HydrophobicContact CD1-CB 4.41Å; L58-V110 HydrophobicContact CD1-CG1 3.86Å; L58-V110 HydrophobicContact CD1-CG2 3.82Å; V66-V110 HydrophobicContact CB-CG1 4.31Å; V66-V110 HydrophobicContact CG1-CG1 3.67Å; V66-V110 HydrophobicContact CG2-CG1 3.78Å; V69-V110 HydrophobicContact CG1-CG2 4.2Å; V69-V110 HydrophobicContact CG2-CG1 4.44Å; V69-V110 HydrophobicContact CG2-CG2 4.28Å; V110-L112 HydrophobicContact CG1-CD2 4.4Å
111T97.1Very high94.1Very high36 Ų3667.7 Ų67.722%0.22134%0.343CS..EExtended strand (participates in β ladder)trans-92.4122.4172.157.90000109.7M40 R67 D68M40-T111 HydrophobicContact CB-CG2 4.45Å; M40-T111 HydrophobicContact CG-CG2 4.08Å; M40-T111 HydrophobicContact SD-CG2 4Å; R67-T111 WeakPolarHBondContact CB-O 3.5Å; R67-T111 PolarHBondContact N-O 3.12Å; D68-T111 WeakPolarHBondContact CA-OG1 3.32Å; D68-T111 VanDerWaalsContact CB-OG1 3.3Å; D68-T111 WeakPolarHBondContact CB-OG1 3.41Å; D68-T111 PolarHBondContact N-O 2.78Å; D68-T111 PolarHBondContact N-OG1 2.94Å; D68-T111 VanDerWaalsContact N-OG1 3.09Å; D68-T111 PolarHBondContact O-N 3.37Å; D68-T111 PolarHBondContact O-OG1 3.2Å
112L96.7Very high94.4Very high16 Ų1670.4 Ų70.48%0.08436%0.355CS..EExtended strand (participates in β ladder)trans-81.9169.9175.1-57.2176.5000110.5N39 V41 V64 V110 L116 F118N39-L112 HydrophobicContact CB-CB 4.47Å; N39-L112 PolarHBondContact ND2-O 2.84Å; N39-L112 WeakPolarHBondContact O-CB 3.36Å; N39-L112 WeakPolarHBondContact O-CG 3.26Å; N39-L112 PolarHBondContact O-N 3.47Å; V41-L112 HydrophobicContact CG2-CD1 3.85Å; V41-L112 HydrophobicContact CG2-CG 4.23Å; V64-L112 HydrophobicContact CG1-CD2 3.41Å; V64-L112 VanDerWaalsContact CG1-CD2 3.41Å; V110-L112 HydrophobicContact CG1-CD2 4.4Å; L112-L116 HydrophobicContact CB-CB 4.23Å; L112-L116 HydrophobicContact CD1-CB 4.39Å; L112-F118 HydrophobicContact CD1-CB 4.16Å
113R94.8Very high94.4Very high144 Ų14471.9 Ų71.954%0.54337%0.365SS..PPolyproline II helixtrans-53.6147.3168.3-152.7172.885.7-173.24.2110.3P65 D115 L116P65-R113 PolarHBondContact O-N 2.98Å; R113-D115 IonicContact CZ-OD2 2.67Å; R113-D115 IonicContact NE-OD2 2.69Å; R113-D115 PolarHBondContact NE-OD2 3.44Å; R113-D115 IonicContact NH2-OD2 2.75Å; R113-D115 PolarHBondContact NH2-OD2 3.47Å; R113-D115 PolarHBondContact O-N 2.96Å; R113-D115 VanDerWaalsContact O-N 3.12Å; R113-L116 HydrophobicContact CB-CD1 4.27Å; R113-L116 PolarHBondContact O-N 2.79Å
114K90.9Very high94.3Very high142 Ų14275.6 Ų75.662%0.61737%0.366SS*.THydrogen-bonded Turntrans-57.3-31.2-172.7-67.8-175.9178.4-178.40113.8R67 L116R67-K114 VanDerWaalsContact NH1-CE 3.3Å; K114-L116 VanDerWaalsContact C-N 3.26Å; K114-L116 PolarHBondContact O-N 3.49Å
115D93.8Very high93.9Very high107 Ų10776.4 Ų76.457%0.57237%0.374SS*.THydrogen-bonded Turntrans-79.5-8.9-176-29.9-41.2000113R113R113-D115 IonicContact CZ-OD2 2.67Å; R113-D115 IonicContact NE-OD2 2.69Å; R113-D115 PolarHBondContact NE-OD2 3.44Å; R113-D115 IonicContact NH2-OD2 2.75Å; R113-D115 PolarHBondContact NH2-OD2 3.47Å; R113-D115 PolarHBondContact O-N 2.96Å; R113-D115 VanDerWaalsContact O-N 3.12Å
116L93.7Very high93.6Very high72 Ų7277.2 Ų77.238%0.37738%0.379SS..  trans-101.6129.9-178.7-75.4161000110.4N39 P65 L112 R113 K114N39-L116 WeakPolarHBondContact CA-O 3.33Å; N39-L116 WeakPolarHBondContact CB-O 3.42Å; P65-L116 HydrophobicContact CG-CD1 3.26Å; L112-L116 HydrophobicContact CB-CB 4.23Å; L112-L116 HydrophobicContact CD1-CB 4.39Å; R113-L116 HydrophobicContact CB-CD1 4.27Å; R113-L116 PolarHBondContact O-N 2.79Å; K114-L116 VanDerWaalsContact C-N 3.26Å; K114-L116 PolarHBondContact O-N 3.49Å
117H93.3Very high93.3Very high136 Ų13684.7 Ų84.763%0.6341%0.411SS*.  trans-116.5136.1172.8-60.4-41.2000109.3P38P38-H117 HydrophobicContact CB-CB 4.46Å; P38-H117 WeakPolarHBondContact O-CA 3.36Å
118F93.9Very high92.9Very high80 Ų8086.5 Ų86.535%0.35143%0.426SS..  trans-122.9121.5179.4179.2-97.8000109.9L27 P38 V41 L112L27-F118 HydrophobicContact CD1-CE1 4.04Å; L27-F118 HydrophobicContact CD1-CZ 3.83Å; L27-F118 HydrophobicContact CD2-CE1 4.38Å; L27-F118 HydrophobicContact CD2-CZ 3.81Å; L27-F118 HydrophobicContact CG-CZ 4.4Å; P38-F118 PolarHBondContact O-N 3Å; V41-F118 HydrophobicContact CB-CD1 4.37Å; V41-F118 HydrophobicContact CG1-CD1 4Å; V41-F118 HydrophobicContact CG1-CE1 3.96Å; V41-F118 HydrophobicContact CG2-CB 3.8Å; V41-F118 HydrophobicContact CG2-CD1 3.6Å; V41-F118 HydrophobicContact CG2-CE1 4.38Å; V41-F118 HydrophobicContact CG2-CG 3.75Å; L112-F118 HydrophobicContact CD1-CB 4.16Å
119S92.6Very high92.5Very high102 Ų10291.5 Ų91.571%0.71345%0.448SS*.  trans-114132.8170.458.60000109.3
120F92.7Very high92.2Very high66 Ų6697.3 Ų97.329%0.28947%0.47SS..  trans-63.6124.2178.7-164.6-85.3000110.2L27 K29 L123L27-F120 HydrophobicContact CD2-CD2 3.73Å; L27-F120 HydrophobicContact CD2-CE2 3.4Å; L27-F120 VanDerWaalsContact CD2-CE2 3.4Å; L27-F120 HydrophobicContact CD2-CZ 4.32Å; L27-F120 HydrophobicContact CG-CD2 4.39Å; L27-F120 HydrophobicContact CG-CE2 4.05Å; K29-F120 HydrophobicContact CB-CD1 4.15Å; K29-F120 HydrophobicContact CB-CD2 3.97Å; K29-F120 HydrophobicContact CB-CE1 4.21Å; K29-F120 HydrophobicContact CB-CE2 4.01Å; K29-F120 HydrophobicContact CB-CG 4.04Å; K29-F120 HydrophobicContact CB-CZ 4.14Å; K29-F120 HydrophobicContact CD-CD1 4.31Å; K29-F120 HydrophobicContact CG-CB 4.37Å; K29-F120 HydrophobicContact CG-CD1 4.21Å; K29-F120 HydrophobicContact CG-CD2 4.45Å; K29-F120 HydrophobicContact CG-CG 4.09Å; F120-L123 HydrophobicContact CE1-CD1 4.03Å; F120-L123 HydrophobicContact CE1-CG 4.13Å; F120-L123 HydrophobicContact CZ-CD1 4.14Å
121P92.7Very high92Very high68 Ų68103.2 Ų103.244%0.44250%0.498SS..  trans-70.9153.5-175.829.1-35000111.8L123P121-L123 HydrophobicContact CG-CD2 4.28Å; P121-L123 PolarHBondContact O-N 3.35Å
122K91.2Very high91.8Very high147 Ų147107 Ų10764%0.63951%0.513SS*.  trans-76.9101.2171.2-170.5176-178.9174.80108.9Y124 D126K122-Y124 VanDerWaalsContact CE-O 3.23Å; K122-Y124 WeakPolarHBondContact CE-O 3.3Å; K122-Y124 WeakPolarHBondContact CG-O 3.49Å; K122-D126 WeakPolarHBondContact CE-OD1 3.33Å; K122-D126 IonicContact NZ-OD1 2.67Å; K122-D126 PolarHBondContact NZ-OD1 3.39Å; K122-D126 IonicContact NZ-OD2 3.15Å; K122-D126 PolarHBondContact NZ-OD2 2.9Å
123L89.6Confident91.7Very high115 Ų115109.6 Ų109.660%0.60253%0.525SS*.  trans-68.4-32.7-176.3-62.4176.8000113.3F120 P121F120-L123 HydrophobicContact CE1-CD1 4.03Å; F120-L123 HydrophobicContact CE1-CG 4.13Å; F120-L123 HydrophobicContact CZ-CD1 4.14Å; P121-L123 HydrophobicContact CG-CD2 4.28Å; P121-L123 PolarHBondContact O-N 3.35Å
124Y88.6Confident91.7Very high184 Ų184108 Ų10872%0.72252%0.524SS*.SBendtrans-113.8125.4-176.7-54.6-75.9000110.4K122K122-Y124 VanDerWaalsContact CE-O 3.23Å; K122-Y124 WeakPolarHBondContact CE-O 3.3Å; K122-Y124 WeakPolarHBondContact CG-O 3.49Å
125T88.1Confident91.9Very high89 Ų89107.1 Ų107.155%0.54652%0.522SS..  trans-81.1142.6175-500000109.7K127 A128 F129T125-K127 HydrophobicContact CG2-CB 4.36Å; T125-K127 PolarHBondContact O-N 2.88Å; T125-A128 PolarHBondContact O-N 3.12Å; T125-A128 VanDerWaalsContact O-N 3.12Å; T125-F129 PolarHBondContact O-N 3.47Å
126D90.3Very high92Very high87 Ų87107.1 Ų107.147%0.46552%0.521SS..Hα-helixtrans-58.4-35.5-178.3-54.8-48000111.8K122 A128 F129 Y130K122-D126 WeakPolarHBondContact CE-OD1 3.33Å; K122-D126 IonicContact NZ-OD1 2.67Å; K122-D126 PolarHBondContact NZ-OD1 3.39Å; K122-D126 IonicContact NZ-OD2 3.15Å; K122-D126 PolarHBondContact NZ-OD2 2.9Å; D126-A128 PolarHBondContact O-N 3.05Å; D126-F129 WeakPolarHBondContact O-CB 3.48Å; D126-F129 PolarHBondContact O-N 3.41Å; D126-Y130 HydrophobicContact CB-CD2 4.43Å; D126-Y130 HydrophobicContact CB-CE2 4.16Å; D126-Y130 WeakPolarHBondContact O-CD2 3.43Å; D126-Y130 PolarHBondContact O-N 3.19Å
127K89.9Confident92.2Very high162 Ų162109.6 Ų109.670%0.70453%0.529SS*.Hα-helixtrans-59.3-46.1177.3-64.9-175.8-179.3-179.40112.9T125 F129 Y130 Q131T125-K127 HydrophobicContact CG2-CB 4.36Å; T125-K127 PolarHBondContact O-N 2.88Å; K127-F129 VanDerWaalsContact C-N 3.32Å; K127-Y130 PolarHBondContact O-N 3.14Å; K127-Q131 WeakPolarHBondContact O-CG 3.5Å; K127-Q131 PolarHBondContact O-N 3.46Å
128A87.9Confident92.3Very high40 Ų40111.3 Ų111.333%0.33153%0.53SS..Hα-helixtrans-63.4-43.8-179.800000110.3T125 D126 Y130 Q131 E132T125-A128 PolarHBondContact O-N 3.12Å; T125-A128 VanDerWaalsContact O-N 3.12Å; D126-A128 PolarHBondContact O-N 3.05Å; A128-Y130 PolarHBondContact O-N 3.29Å; A128-Q131 PolarHBondContact O-N 2.72Å; A128-E132 WeakPolarHBondContact O-CG 3.32Å; A128-E132 PolarHBondContact O-N 2.92Å
129F89.8Confident92.4Very high105 Ų105113 Ų11346%0.46154%0.54SS..Hα-helixtrans-59.8-45.6176.8-176.2-104.5000112.6T125 D126 K127 Q131 E132 Q133T125-F129 PolarHBondContact O-N 3.47Å; D126-F129 WeakPolarHBondContact O-CB 3.48Å; D126-F129 PolarHBondContact O-N 3.41Å; K127-F129 VanDerWaalsContact C-N 3.32Å; F129-Q131 VanDerWaalsContact C-N 3.35Å; F129-Q131 PolarHBondContact O-N 2.88Å; F129-E132 PolarHBondContact O-N 3.28Å; F129-Q133 HydrophobicContact CD1-CG 4.47Å; F129-Q133 HydrophobicContact CE1-CG 4.24Å; F129-Q133 HydrophobicContact CZ-CG 4.34Å; F129-Q133 WeakPolarHBondContact O-CB 3.45Å; F129-Q133 WeakPolarHBondContact O-CG 3.28Å; F129-Q133 PolarHBondContact O-N 2.88Å
130Y91.9Very high92.6Very high144 Ų144114.4 Ų114.457%0.56554%0.535SS*.Hα-helixtrans-65.1-37.2177-74.1-63.1000112.9D126 K127 A128 Q133 Q134D126-Y130 HydrophobicContact CB-CD2 4.43Å; D126-Y130 HydrophobicContact CB-CE2 4.16Å; D126-Y130 WeakPolarHBondContact O-CD2 3.43Å; D126-Y130 PolarHBondContact O-N 3.19Å; K127-Y130 PolarHBondContact O-N 3.14Å; A128-Y130 PolarHBondContact O-N 3.29Å; Y130-Q133 PolarHBondContact O-N 2.93Å; Y130-Q134 VanDerWaalsContact O-CG 3.32Å; Y130-Q134 WeakPolarHBondContact O-CG 2.97Å; Y130-Q134 PolarHBondContact O-N 2.79Å
131Q92.7Very high92.8Very high125 Ų125117.8 Ų117.858%0.58455%0.55SS**Hα-helixtrans-65.2-46.4176.7-74174.5-1500111.4K127 A128 F129 Q133 Q134 Q135K127-Q131 WeakPolarHBondContact O-CG 3.5Å; K127-Q131 PolarHBondContact O-N 3.46Å; A128-Q131 PolarHBondContact O-N 2.72Å; F129-Q131 VanDerWaalsContact C-N 3.35Å; F129-Q131 PolarHBondContact O-N 2.88Å; Q131-Q133 PolarHBondContact O-N 2.97Å; Q131-Q134 PolarHBondContact O-N 3.33Å; Q131-Q135 WeakPolarHBondContact O-CG 3.43Å; Q131-Q135 PolarHBondContact O-N 3.15Å
132E92.1Very high93Very high115 Ų115118.5 Ų118.554%0.53755%0.553SS.*Hα-helixtrans-60.3-44.2175.6-72.9175.2-178.600111.4A128 F129 Q134 Q135 L136A128-E132 WeakPolarHBondContact O-CG 3.32Å; A128-E132 PolarHBondContact O-N 2.92Å; F129-E132 PolarHBondContact O-N 3.28Å; E132-Q134 VanDerWaalsContact C-N 3.33Å; E132-Q134 PolarHBondContact O-N 2.95Å; E132-Q135 PolarHBondContact O-N 2.75Å; E132-L136 WeakPolarHBondContact O-CG 3.43Å; E132-L136 PolarHBondContact O-N 3.46Å
133Q94.2Very high93.2Very high71 Ų71116.2 Ų116.233%0.33255%0.547SS..Hα-helixtrans-61.4-39.1175.3-76.6-167.2-12.600113F129 Y130 Q131 K137F129-Q133 HydrophobicContact CD1-CG 4.47Å; F129-Q133 HydrophobicContact CE1-CG 4.24Å; F129-Q133 HydrophobicContact CZ-CG 4.34Å; F129-Q133 WeakPolarHBondContact O-CB 3.45Å; F129-Q133 WeakPolarHBondContact O-CG 3.28Å; F129-Q133 PolarHBondContact O-N 2.88Å; Y130-Q133 PolarHBondContact O-N 2.93Å; Q131-Q133 PolarHBondContact O-N 2.97Å; Q133-K137 WeakPolarHBondContact O-CB 3.39Å; Q133-K137 VanDerWaalsContact O-CG 3.32Å; Q133-K137 WeakPolarHBondContact O-CG 3.37Å; Q133-K137 PolarHBondContact O-N 2.76Å
134Q95.2Very high93.4Very high111 Ų111113 Ų11352%0.51954%0.538SS..Hα-helixtrans-67.4-38.7175.9-75.1-177.817.800111.7Y130 Q131 E132 K137 R138Y130-Q134 VanDerWaalsContact O-CG 3.32Å; Y130-Q134 WeakPolarHBondContact O-CG 2.97Å; Y130-Q134 PolarHBondContact O-N 2.79Å; Q131-Q134 PolarHBondContact O-N 3.33Å; E132-Q134 VanDerWaalsContact C-N 3.33Å; E132-Q134 PolarHBondContact O-N 2.95Å; Q134-K137 PolarHBondContact O-N 2.85Å; Q134-R138 WeakPolarHBondContact O-CG 3.44Å; Q134-R138 PolarHBondContact O-N 2.92Å
135Q95.7Very high93.6Very high124 Ų124109.8 Ų109.858%0.57953%0.529SS*.Hα-helixtrans-64.3-46.7175.8-72.7-178.9-300111.5Q131 E132 K137 R138 M139Q131-Q135 WeakPolarHBondContact O-CG 3.43Å; Q131-Q135 PolarHBondContact O-N 3.15Å; E132-Q135 PolarHBondContact O-N 2.75Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 3.46Å; Q135-R138 WeakPolarHBondContact O-CB 3.46Å; Q135-R138 PolarHBondContact O-N 3.39Å; Q135-R138 VanDerWaalsContact O-N 3.12Å; Q135-M139 WeakPolarHBondContact O-CG 3.46Å; Q135-M139 PolarHBondContact O-N 3.17Å
136L96.2Very high93.6Very high106 Ų106107.8 Ų107.856%0.55552%0.519SS*.Hα-helixtrans-57.5-46.5175.4-72.1172.2000111.5E132 R138 M139 E140E132-L136 WeakPolarHBondContact O-CG 3.43Å; E132-L136 PolarHBondContact O-N 3.46Å; L136-R138 VanDerWaalsContact C-N 3.31Å; L136-R138 PolarHBondContact O-N 3.38Å; L136-M139 PolarHBondContact O-N 2.97Å; L136-E140 WeakPolarHBondContact O-CG 3.41Å; L136-E140 PolarHBondContact O-N 3.02Å
137K96.7Very high93.5Very high125 Ų125109.8 Ų109.854%0.54352%0.524SS..Hα-helixtrans-62-35.8176.7-74.9177.7-178.4-179.60113.1Q133 Q134 Q135 K141Q133-K137 WeakPolarHBondContact O-CB 3.39Å; Q133-K137 VanDerWaalsContact O-CG 3.32Å; Q133-K137 WeakPolarHBondContact O-CG 3.37Å; Q133-K137 PolarHBondContact O-N 2.76Å; Q134-K137 PolarHBondContact O-N 2.85Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 3.46Å; K137-K141 VanDerWaalsContact O-CG 3.28Å; K137-K141 WeakPolarHBondContact O-CG 3.46Å; K137-K141 PolarHBondContact O-N 3.16Å; K137-K141 VanDerWaalsContact O-N 3.14Å
138R96.6Very high93.3Very high171 Ų171109.3 Ų109.365%0.64552%0.522SS*.Hα-helixtrans-67.3-44.7174.8-74.4175.6-174.9-175.52.7110.7Q134 Q135 L136 K141 T142Q134-R138 WeakPolarHBondContact O-CG 3.44Å; Q134-R138 PolarHBondContact O-N 2.92Å; Q135-R138 WeakPolarHBondContact O-CB 3.46Å; Q135-R138 PolarHBondContact O-N 3.39Å; Q135-R138 VanDerWaalsContact O-N 3.12Å; L136-R138 VanDerWaalsContact C-N 3.31Å; L136-R138 PolarHBondContact O-N 3.38Å; R138-K141 PolarHBondContact O-N 3.5Å; R138-T142 PolarHBondContact O-N 2.91Å; R138-T142 PolarHBondContact O-OG1 3.01Å
139M96.6Very high92.9Very high117 Ų117112 Ų11258%0.57653%0.534SS*.Hα-helixtrans-61.8-44177.7-70.8-176.270.800112.3Q135 L136 K141 T142 L143Q135-M139 WeakPolarHBondContact O-CG 3.46Å; Q135-M139 PolarHBondContact O-N 3.17Å; L136-M139 PolarHBondContact O-N 2.97Å; M139-K141 VanDerWaalsContact C-N 3.34Å; M139-K141 PolarHBondContact O-N 3.49Å; M139-T142 VanDerWaalsContact CA-OG1 3.29Å; M139-T142 WeakPolarHBondContact CA-OG1 3.29Å; M139-T142 PolarHBondContact O-N 3.2Å; M139-T142 PolarHBondContact O-OG1 3.06Å; M139-L143 WeakPolarHBondContact O-CB 3.36Å; M139-L143 PolarHBondContact O-N 3.37Å
140E96.7Very high92.4Very high130 Ų130113.3 Ų113.361%0.60754%0.542SS*.Hα-helixtrans-61-42.2175.9-74.2176.2169.100111.9L136 L143 A144L136-E140 WeakPolarHBondContact O-CG 3.41Å; L136-E140 PolarHBondContact O-N 3.02Å; E140-L143 PolarHBondContact O-N 3.47Å; E140-A144 WeakPolarHBondContact O-CB 3.43Å; E140-A144 PolarHBondContact O-N 2.95Å
141K96.5Very high91.5Very high138 Ų138113 Ų11360%0.655%0.549SS*.Hα-helixtrans-63.1-46.4175.7-76.2178.4-179.6-169.60111.9K137 R138 M139 L143 A144 E145K137-K141 VanDerWaalsContact O-CG 3.28Å; K137-K141 WeakPolarHBondContact O-CG 3.46Å; K137-K141 PolarHBondContact O-N 3.16Å; K137-K141 VanDerWaalsContact O-N 3.14Å; R138-K141 PolarHBondContact O-N 3.5Å; M139-K141 VanDerWaalsContact C-N 3.34Å; M139-K141 PolarHBondContact O-N 3.49Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 2.94Å; K141-A144 PolarHBondContact O-N 3.5Å; K141-A144 VanDerWaalsContact O-N 3.16Å; K141-E145 WeakPolarHBondContact O-CB 3.35Å; K141-E145 WeakPolarHBondContact O-CG 3.32Å; K141-E145 PolarHBondContact O-N 3.38Å
142T95.9Very high90.4Very high82 Ų82111.5 Ų111.550%0.50355%0.552SS.*Hα-helixtrans-62.1-37.9177.547.20000112.2R138 M139 E145 S146R138-T142 PolarHBondContact O-N 2.91Å; R138-T142 PolarHBondContact O-OG1 3.01Å; M139-T142 VanDerWaalsContact CA-OG1 3.29Å; M139-T142 WeakPolarHBondContact CA-OG1 3.29Å; M139-T142 PolarHBondContact O-N 3.2Å; M139-T142 PolarHBondContact O-OG1 3.06Å; T142-E145 PolarHBondContact O-N 3.26Å; T142-S146 WeakPolarHBondContact O-CB 3.2Å; T142-S146 PolarHBondContact O-N 3.09Å; T142-S146 PolarHBondContact O-OG 2.86Å
143L95.5Very high89.1Confident99 Ų99108.9 Ų108.952%0.51855%0.547SS..Hα-helixtrans-67.4-37.6174.5-97.5158.3000112.5M139 E140 K141 S146 K147M139-L143 WeakPolarHBondContact O-CB 3.36Å; M139-L143 PolarHBondContact O-N 3.37Å; E140-L143 PolarHBondContact O-N 3.47Å; K141-L143 VanDerWaalsContact C-N 3.3Å; K141-L143 PolarHBondContact O-N 2.94Å; L143-S146 PolarHBondContact O-OG 3.27Å; L143-K147 VanDerWaalsContact O-CG 3.31Å; L143-K147 WeakPolarHBondContact O-CG 3.31Å; L143-K147 PolarHBondContact O-N 3.17Å
144A94.5Very high87.6Confident49 Ų49116.3 Ų116.341%0.40557%0.572SS.*Hα-helixtrans-70.3-38.5176.300000111.6E140 K141 K148E140-A144 WeakPolarHBondContact O-CB 3.43Å; E140-A144 PolarHBondContact O-N 2.95Å; K141-A144 PolarHBondContact O-N 3.5Å; K141-A144 VanDerWaalsContact O-N 3.16Å; A144-K148 WeakPolarHBondContact O-CG 3.5Å; A144-K148 PolarHBondContact O-N 2.92Å; A144-K148 VanDerWaalsContact O-N 3.17Å
145E92.5Very high86.2Confident115 Ų115118.9 Ų118.954%0.53758%0.584SS.*Hα-helixtrans-65.4-47174.8-74.8168.4-168.500111.2K141 T142 K147 K148 T149K141-E145 WeakPolarHBondContact O-CB 3.35Å; K141-E145 WeakPolarHBondContact O-CG 3.32Å; K141-E145 PolarHBondContact O-N 3.38Å; T142-E145 PolarHBondContact O-N 3.26Å; E145-K147 VanDerWaalsContact C-N 3.33Å; E145-K147 PolarHBondContact O-N 3.19Å; E145-K148 WeakPolarHBondContact O-CB 3.38Å; E145-K148 PolarHBondContact O-N 3.01Å; E145-T149 PolarHBondContact O-N 3.37Å; E145-T149 PolarHBondContact O-OG1 3.38Å
146S88.4Confident84.6Confident48 Ų48115.1 Ų115.134%0.33657%0.571SS.*Hα-helixtrans-58.8-44.2178.172.60000112T142 L143 K148 T149 E150T142-S146 WeakPolarHBondContact O-CB 3.2Å; T142-S146 PolarHBondContact O-N 3.09Å; T142-S146 PolarHBondContact O-OG 2.86Å; L143-S146 PolarHBondContact O-OG 3.27Å; S146-K148 VanDerWaalsContact C-N 3.31Å; S146-K148 PolarHBondContact O-N 3.28Å; S146-T149 PolarHBondContact O-N 2.77Å; S146-E150 WeakPolarHBondContact O-CG 3.3Å; S146-E150 PolarHBondContact O-N 3.35Å
147K88.1Confident82.8Confident129 Ų129118.4 Ų118.456%0.56158%0.583SS**Hα-helixtrans-60.5-38.1175.1-75.1179.1-179.6-175.90112.8L143 E145 L151L143-K147 VanDerWaalsContact O-CG 3.31Å; L143-K147 WeakPolarHBondContact O-CG 3.31Å; L143-K147 PolarHBondContact O-N 3.17Å; E145-K147 VanDerWaalsContact C-N 3.33Å; E145-K147 PolarHBondContact O-N 3.19Å; K147-L151 VanDerWaalsContact O-CG 3.3Å; K147-L151 WeakPolarHBondContact O-CG 3.41Å; K147-L151 PolarHBondContact O-N 3.07Å; K147-L151 VanDerWaalsContact O-N 3.09Å
148K85.7Confident81.4Confident151 Ų151116.3 Ų116.366%0.65760%0.597SS**Hα-helixtrans-66.6-42.1175.7-73.2174-177.8-178.90111.4A144 E145 S146 E150 L151 S152A144-K148 WeakPolarHBondContact O-CG 3.5Å; A144-K148 PolarHBondContact O-N 2.92Å; A144-K148 VanDerWaalsContact O-N 3.17Å; E145-K148 WeakPolarHBondContact O-CB 3.38Å; E145-K148 PolarHBondContact O-N 3.01Å; S146-K148 VanDerWaalsContact C-N 3.31Å; S146-K148 PolarHBondContact O-N 3.28Å; K148-E150 VanDerWaalsContact C-N 3.35Å; K148-L151 PolarHBondContact O-N 3.14Å; K148-S152 PolarHBondContact O-N 3.41Å
149T80Confident80.2Confident98 Ų98112.5 Ų112.560%0.60159%0.592SS**Hα-helixtrans-63.4-41.5177.3-46.40000111.4E145 S146 S152 S153E145-T149 PolarHBondContact O-N 3.37Å; E145-T149 PolarHBondContact O-OG1 3.38Å; S146-T149 PolarHBondContact O-N 2.77Å; T149-S152 PolarHBondContact O-N 3.42Å; T149-S153 PolarHBondContact O-N 3.42Å
150E77.6Confident79Confident131 Ų131110.4 Ų110.461%0.61259%0.587SS**Hα-helixtrans-59-48.6174-74.8172.1-164.800111.7S146 K148 S152 S153S146-E150 WeakPolarHBondContact O-CG 3.3Å; S146-E150 PolarHBondContact O-N 3.35Å; K148-E150 VanDerWaalsContact C-N 3.35Å; E150-S152 VanDerWaalsContact C-N 3.35Å; E150-S152 PolarHBondContact O-N 2.82Å; E150-S153 WeakPolarHBondContact O-CB 3.48Å; E150-S153 PolarHBondContact O-N 2.65Å; E150-S153 PolarHBondContact O-OG 3.19Å
151L73.9Confident77.6Confident137 Ų137109 Ų10972%0.71759%0.592SS**Hα-helixtrans-63.1-38.7178.7-70.4168.8000112.7K147 K148 S153 W154K147-L151 VanDerWaalsContact O-CG 3.3Å; K147-L151 WeakPolarHBondContact O-CG 3.41Å; K147-L151 PolarHBondContact O-N 3.07Å; K147-L151 VanDerWaalsContact O-N 3.09Å; K148-L151 PolarHBondContact O-N 3.14Å; L151-S153 PolarHBondContact O-N 3.3Å; L151-W154 WeakPolarHBondContact O-CB 3.5Å; L151-W154 PolarHBondContact O-N 3.02Å
152S69.2Low76.6Confident94 Ų94111.7 Ų111.766%0.65760%0.598SS**Hα-helixtrans-67.4-21.7178.6-170.80000113.1K148 T149 E150 W154K148-S152 PolarHBondContact O-N 3.41Å; T149-S152 PolarHBondContact O-N 3.42Å; E150-S152 VanDerWaalsContact C-N 3.35Å; E150-S152 PolarHBondContact O-N 2.82Å; S152-W154 VanDerWaalsContact C-N 3.25Å; S152-W154 PolarHBondContact O-N 3.13Å
153S64.6Low75.3Confident60 Ų60114.4 Ų114.442%0.4260%0.603SS.*G310 helixtrans-77.3-8.3-179.776.80000113.7T149 E150 L151 Q155 C156T149-S153 PolarHBondContact O-N 3.42Å; E150-S153 WeakPolarHBondContact O-CB 3.48Å; E150-S153 PolarHBondContact O-N 2.65Å; E150-S153 PolarHBondContact O-OG 3.19Å; L151-S153 PolarHBondContact O-N 3.3Å; S153-Q155 PolarHBondContact O-N 3.15Å; S153-Q155 VanDerWaalsContact O-N 3.15Å; S153-C156 WeakPolarHBondContact O-CB 3.46Å; S153-C156 PolarHBondContact O-N 2.97Å
154W63.1Low73.7Confident227 Ų227120.1 Ų120.186%0.8662%0.624SS**G310 helixtrans-61.2-25.9-175.5-170.357.8000114.5L151 S152 C156L151-W154 WeakPolarHBondContact O-CB 3.5Å; L151-W154 PolarHBondContact O-N 3.02Å; S152-W154 VanDerWaalsContact C-N 3.25Å; S152-W154 PolarHBondContact O-N 3.13Å; W154-C156 PolarHBondContact O-N 3.16Å
155Q66.5Low72.6Confident165 Ų165123.7 Ų123.777%0.77164%0.635SS**G310 helixtrans-73.7-9.5175.6-68.4-178.5-18.400113.6S153S153-Q155 PolarHBondContact O-N 3.15Å; S153-Q155 VanDerWaalsContact O-N 3.15Å
156C61.1Low71.6Confident45 Ų45124.2 Ų124.230%0.30464%0.64SS.*SBendtrans-101.1100.9178.4-61.30000109.3S153 W154 G158 K164S153-C156 WeakPolarHBondContact O-CB 3.46Å; S153-C156 PolarHBondContact O-N 2.97Å; W154-C156 PolarHBondContact O-N 3.16Å; C156-G158 PolarHBondContact O-N 3.09Å; C156-K164 PolarHBondContact SG-NZ 2.91Å
157H59Low70.6Confident176 Ų176128.4 Ų128.482%0.81566%0.657SS**SBendtrans-66.293.6-179.8-51.3-59.4000111.4V159H157-V159 VanDerWaalsContact C-N 3.28Å; H157-V159 PolarHBondContact O-N 2.75Å; H157-V159 VanDerWaalsContact O-N 3.16Å
158G67.6Low69.6Low80 Ų80128.4 Ų128.483%0.82566%0.663SS**SBendtrans74.60.7167.100000117.1C156C156-G158 PolarHBondContact O-N 3.09Å
159V70.4Confident68.6Low91 Ų91126.9 Ų126.955%0.55266%0.663SS**  trans-93.5121.4176.7-172.40000109.8H157 F163H157-V159 VanDerWaalsContact C-N 3.28Å; H157-V159 PolarHBondContact O-N 2.75Å; H157-V159 VanDerWaalsContact O-N 3.16Å; V159-F163 HydrophobicContact CG1-CB 4.39Å
160P71.7Confident67.9Low73 Ų73128.9 Ų128.947%0.47467%0.667SS.*  trans-57.9139.1175.6-23.233.3000111.9W162 F163P160-W162 PolarHBondContact O-N 3.34Å; P160-F163 HydrophobicContact CB-CD2 4.21Å; P160-F163 HydrophobicContact CG-CD2 4.29Å; P160-F163 PolarHBondContact O-N 3.35Å
161S67.9Low67.2Low100 Ų100128.7 Ų128.770%0.69967%0.671SS**G310 helixtrans-62.6-18.4-172.758.10000115.3
162W75.5Confident66.6Low196 Ų196128.1 Ų128.174%0.74267%0.668SS**G310 helixtrans-80.4-12.5-178.493.4-79.3000114.5P160 K164P160-W162 PolarHBondContact O-N 3.34Å; W162-K164 VanDerWaalsContact C-N 3.35Å
163F69.6Low66.4Low139 Ų139130.9 Ų130.961%0.6167%0.669SS**G310 helixtrans-870.5177.6-81.8-73.9000113.9V159 P160V159-F163 HydrophobicContact CG1-CB 4.39Å; P160-F163 HydrophobicContact CB-CD2 4.21Å; P160-F163 HydrophobicContact CG-CD2 4.29Å; P160-F163 PolarHBondContact O-N 3.35Å
164K60.2Low66.6Low219 Ų219137.4 Ų137.495%0.95269%0.691SS**  trans-81.50175.6-85.2-172.7175.5-178.80112.5C156 W162C156-K164 PolarHBondContact SG-NZ 2.91Å; W162-K164 VanDerWaalsContact C-N 3.35Å

Retrieved 164 of 164 residues in 44.4 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).