A0A077ZFF4_TRITR Loading...

EMP24 GP25L domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFF4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 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
1M75.4Confident87.8Confident204 Ų204122.2 Ų122.2100%1.00563%0.625SS**  0-530-158.9161.771.900112.6M3 I4 S5M1-M3 PolarHBondContact O-N 3.24Å; M1-I4 PolarHBondContact O-N 3.28Å; M1-S5 PolarHBondContact O-N 3.39Å
2I83.7Confident88Confident142 Ų142116.6 Ų116.673%0.72861%0.611SS**Hα-helixtrans-56.5-46.2-180-62.4169.9000112.8I4 S5 V6I2-I4 VanDerWaalsContact C-N 3.29Å; I2-I4 PolarHBondContact O-N 3.03Å; I2-S5 WeakPolarHBondContact O-CA 3.36Å; I2-S5 WeakPolarHBondContact O-CB 3.48Å; I2-S5 PolarHBondContact O-N 3Å; I2-V6 HydrophobicContact CG2-CG2 4.37Å; I2-V6 PolarHBondContact O-N 3.11Å
3M82.5Confident88.2Confident160 Ų160113.8 Ų113.879%0.78861%0.607SS**Hα-helixtrans-60.2-36.1-179.3-165.6172.976.700113.3M1 S5 F7M1-M3 PolarHBondContact O-N 3.24Å; M3-S5 VanDerWaalsContact C-N 3.32Å; M3-F7 WeakPolarHBondContact O-CB 3.41Å; M3-F7 PolarHBondContact O-N 3.32Å
4I86.9Confident88.3Confident103 Ų103112.8 Ų112.853%0.52860%0.601SS.*Hα-helixtrans-67.9-36.8176-60.7171.9000110.1M1 I2 K8M1-I4 PolarHBondContact O-N 3.28Å; I2-I4 VanDerWaalsContact C-N 3.29Å; I2-I4 PolarHBondContact O-N 3.03Å; I4-K8 WeakPolarHBondContact O-CG 3.47Å; I4-K8 PolarHBondContact O-N 3.35Å; I4-K8 VanDerWaalsContact O-N 3.08Å
5S88Confident88.4Confident74 Ų74112.9 Ų112.952%0.51760%0.601SS.*Hα-helixtrans-68.5-42.4178.1-142.60000112M1 I2 M3 K8 V9M1-S5 PolarHBondContact O-N 3.39Å; I2-S5 WeakPolarHBondContact O-CA 3.36Å; I2-S5 WeakPolarHBondContact O-CB 3.48Å; I2-S5 PolarHBondContact O-N 3Å; M3-S5 VanDerWaalsContact C-N 3.32Å; S5-K8 PolarHBondContact O-N 3.21Å; S5-V9 WeakPolarHBondContact O-CG2 3.26Å; S5-V9 PolarHBondContact O-N 3.3Å; S5-V9 VanDerWaalsContact O-N 3.11Å
6V90.8Very high88.3Confident93 Ų93110.2 Ų110.256%0.56460%0.599SS**Hα-helixtrans-64.3-43.2176.2177.40000110.8I2 K8 V9 F10I2-V6 HydrophobicContact CG2-CG2 4.37Å; I2-V6 PolarHBondContact O-N 3.11Å; V6-K8 VanDerWaalsContact C-N 3.32Å; V6-K8 PolarHBondContact O-N 2.93Å; V6-V9 PolarHBondContact O-N 3Å; V6-F10 PolarHBondContact O-N 3.4Å
7F90.9Very high88.2Confident139 Ų139109.1 Ų109.161%0.6160%0.602SS**Hα-helixtrans-59-42.9176-176.3-105.3000111.8M3 V9 F10 V11M3-F7 WeakPolarHBondContact O-CB 3.41Å; M3-F7 PolarHBondContact O-N 3.32Å; F7-V9 PolarHBondContact O-N 3.08Å; F7-F10 PolarHBondContact O-N 3.48Å; F7-V11 HydrophobicContact CD1-CG2 4.23Å; F7-V11 HydrophobicContact CD2-CG2 4.48Å; F7-V11 HydrophobicContact CE1-CG2 3.88Å; F7-V11 HydrophobicContact CE2-CG2 4.15Å; F7-V11 HydrophobicContact CZ-CG2 3.84Å; F7-V11 WeakPolarHBondContact O-CB 3.49Å; F7-V11 VanDerWaalsContact O-CG2 3.26Å; F7-V11 WeakPolarHBondContact O-CG2 3.35Å; F7-V11 PolarHBondContact O-N 2.94Å
8K92Very high88Confident141 Ų141110.9 Ų110.961%0.61361%0.605SS**Hα-helixtrans-60.8-43.5175.2-74.6178.9179.6-173.20112.9I4 S5 V6 V11 A12I4-K8 WeakPolarHBondContact O-CG 3.47Å; I4-K8 PolarHBondContact O-N 3.35Å; I4-K8 VanDerWaalsContact O-N 3.08Å; S5-K8 PolarHBondContact O-N 3.21Å; V6-K8 VanDerWaalsContact C-N 3.32Å; V6-K8 PolarHBondContact O-N 2.93Å; K8-V11 PolarHBondContact O-N 3.29Å; K8-A12 WeakPolarHBondContact O-CB 3.37Å; K8-A12 PolarHBondContact O-N 2.96Å
9V92.4Very high87.7Confident100 Ų100109.5 Ų109.561%0.60661%0.61SS**Hα-helixtrans-64.9-43.1177.9173.40000111S5 V6 F7 A12 S13S5-V9 WeakPolarHBondContact O-CG2 3.26Å; S5-V9 PolarHBondContact O-N 3.3Å; S5-V9 VanDerWaalsContact O-N 3.11Å; V6-V9 PolarHBondContact O-N 3Å; F7-V9 PolarHBondContact O-N 3.08Å; V9-A12 PolarHBondContact O-N 3.47Å; V9-S13 PolarHBondContact O-N 2.91Å
10F91.7Very high87.3Confident134 Ų134110.2 Ų110.259%0.58862%0.617SS**Hα-helixtrans-62.4-45.6178-170.1-97.6000111.5V6 F7 A12 S13 L14V6-F10 PolarHBondContact O-N 3.4Å; F7-F10 PolarHBondContact O-N 3.48Å; F10-A12 PolarHBondContact O-N 3.5Å; F10-S13 PolarHBondContact O-N 2.9Å; F10-L14 WeakPolarHBondContact O-CB 3.32Å; F10-L14 PolarHBondContact O-N 3.13Å
11V91.4Very high87Confident54 Ų54108.4 Ų108.433%0.32762%0.616SS.*Hα-helixtrans-61.4-43.3175.2172.40000111.2F7 K8 S13 L14 L15F7-V11 HydrophobicContact CD1-CG2 4.23Å; F7-V11 HydrophobicContact CD2-CG2 4.48Å; F7-V11 HydrophobicContact CE1-CG2 3.88Å; F7-V11 HydrophobicContact CE2-CG2 4.15Å; F7-V11 HydrophobicContact CZ-CG2 3.84Å; F7-V11 WeakPolarHBondContact O-CB 3.49Å; F7-V11 VanDerWaalsContact O-CG2 3.26Å; F7-V11 WeakPolarHBondContact O-CG2 3.35Å; F7-V11 PolarHBondContact O-N 2.94Å; K8-V11 PolarHBondContact O-N 3.29Å; V11-S13 PolarHBondContact O-N 3.48Å; V11-L14 PolarHBondContact O-N 3.41Å; V11-L15 HydrophobicContact CG1-CD1 3.96Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L15 VanDerWaalsContact O-CG 3.32Å; V11-L15 WeakPolarHBondContact O-CG 3.47Å; V11-L15 PolarHBondContact O-N 3.26Å
12A90.9Very high87.5Confident55 Ų55104.8 Ų104.846%0.45560%0.6SS.*Hα-helixtrans-63.2-41.6177.700000112.6K8 V9 F10 L14 L15 A16K8-A12 WeakPolarHBondContact O-CB 3.37Å; K8-A12 PolarHBondContact O-N 2.96Å; V9-A12 PolarHBondContact O-N 3.47Å; F10-A12 PolarHBondContact O-N 3.5Å; A12-L14 VanDerWaalsContact C-N 3.34Å; A12-L15 PolarHBondContact O-N 3.35Å; A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.4Å
13S89.9Confident87.8Confident80 Ų80102.4 Ų102.456%0.55958%0.582SS**Hα-helixtrans-63.9-39.8174.6-173.80000111.9V9 F10 V11 A16 S17V9-S13 PolarHBondContact O-N 2.91Å; F10-S13 PolarHBondContact O-N 2.9Å; V11-S13 PolarHBondContact O-N 3.48Å; S13-A16 PolarHBondContact O-N 2.92Å; S13-S17 PolarHBondContact O-N 2.93Å; S13-S17 VanDerWaalsContact O-N 3.13Å
14L90.5Very high88.2Confident100 Ų10098 Ų9852%0.52456%0.559SS.*Hα-helixtrans-65.2-43.3177.7-152.180.2000110.9F10 V11 A12 S17F10-L14 WeakPolarHBondContact O-CB 3.32Å; F10-L14 PolarHBondContact O-N 3.13Å; V11-L14 PolarHBondContact O-N 3.41Å; A12-L14 VanDerWaalsContact C-N 3.34Å; L14-S17 PolarHBondContact O-N 3.17Å; L14-S17 PolarHBondContact O-OG 3.26Å
15L89.2Confident88.3Confident114 Ų11496.4 Ų96.460%0.59755%0.551SS**Hα-helixtrans-63.6-41.9174.9-70.9169.8000112.2V11 A12 S17 Q18V11-L15 HydrophobicContact CG1-CD1 3.96Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L15 VanDerWaalsContact O-CG 3.32Å; V11-L15 WeakPolarHBondContact O-CG 3.47Å; V11-L15 PolarHBondContact O-N 3.26Å; A12-L15 PolarHBondContact O-N 3.35Å; L15-S17 VanDerWaalsContact C-N 3.26Å; L15-S17 PolarHBondContact O-N 2.72Å; L15-Q18 PolarHBondContact O-N 3.18Å
16A87.3Confident88.3Confident70 Ų7093 Ų9358%0.57953%0.527SS*.Hα-helixtrans-63-33178.200000112.5A12 S13 Q18 A19A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.4Å; S13-A16 PolarHBondContact O-N 2.92Å; A16-Q18 PolarHBondContact O-N 3.35Å; A16-A19 WeakPolarHBondContact O-CB 3.48Å; A16-A19 PolarHBondContact O-N 3.09Å
17S86.8Confident88Confident92 Ų9290.8 Ų90.864%0.64352%0.516SS*.THydrogen-bonded Turntrans-68.7-15.9178.676.20000114.3S13 L14 L15S13-S17 PolarHBondContact O-N 2.93Å; S13-S17 VanDerWaalsContact O-N 3.13Å; L14-S17 PolarHBondContact O-N 3.17Å; L14-S17 PolarHBondContact O-OG 3.26Å; L15-S17 VanDerWaalsContact C-N 3.26Å; L15-S17 PolarHBondContact O-N 2.72Å
18Q84Confident87.4Confident141 Ų14185.8 Ų85.866%0.65950%0.495SS*.THydrogen-bonded Turntrans-99.18.4178.6-60.6-166.6103.900113.5L15 A16 V20L15-Q18 PolarHBondContact O-N 3.18Å; A16-Q18 PolarHBondContact O-N 3.35Å; Q18-V20 PolarHBondContact O-N 3.35Å
19A82.3Confident86.7Confident84 Ų8485.6 Ų85.669%0.69451%0.506SS*.  trans-67.6119.1177.700000110.8A16A16-A19 WeakPolarHBondContact O-CB 3.48Å; A16-A19 PolarHBondContact O-N 3.09Å
20V80Confident86.5Confident124 Ų12484.3 Ų84.375%0.75249%0.493SS*.  trans-105.7134.7175.2-179.60000108.6Q18 Y23Q18-V20 PolarHBondContact O-N 3.35Å; V20-Y23 HydrophobicContact CG1-CE1 4.33Å
21A80.6Confident86.4Confident73 Ų7385.1 Ų85.160%0.60349%0.492SS*.  trans-75146.7173.700000110.8Y23A21-Y23 VanDerWaalsContact O-CD1 3.31Å; A21-Y23 WeakPolarHBondContact O-CD1 3.4Å; A21-Y23 PolarHBondContact O-N 3.3Å
22L86.7Confident86.5Confident128 Ų12885.7 Ų85.767%0.6749%0.49SS*.  trans-76.2122.7176.9-179.3149.4000109.8F24L22-F24 HydrophobicContact CD2-CD2 4.26Å; L22-F24 HydrophobicContact CD2-CE1 4.34Å; L22-F24 HydrophobicContact CD2-CE2 3.36Å; L22-F24 HydrophobicContact CD2-CZ 3.42Å; L22-F24 VanDerWaalsContact CD2-CZ 3.42Å; L22-F24 HydrophobicContact CG-CZ 4.36Å
23Y89.2Confident86.7Confident91 Ų9185.6 Ų85.636%0.35749%0.486SS..  trans-140157.6175.863.1-97.8000109.9V20 A21 L25 R119 D121V20-Y23 HydrophobicContact CG1-CE1 4.33Å; A21-Y23 VanDerWaalsContact O-CD1 3.31Å; A21-Y23 WeakPolarHBondContact O-CD1 3.4Å; A21-Y23 PolarHBondContact O-N 3.3Å; Y23-L25 HydrophobicContact CD2-CD2 4.45Å; Y23-L25 HydrophobicContact CE2-CD2 4.31Å; Y23-L25 HydrophobicContact CE2-CG 4.4Å; Y23-R119 HydrophobicContact CD2-CG 3.67Å; Y23-R119 HydrophobicContact CE2-CG 4.49Å; Y23-R119 HydrophobicContact CG-CG 3.81Å; Y23-D121 WeakPolarHBondContact CB-OD1 3.45Å
24F90.2Very high86.9Confident68 Ų6884 Ų8430%0.29847%0.468SS..EExtended strand (participates in β ladder)trans-114150.2177.5-57.1-80.7000110.6L22 F34 R119 V120L22-F24 HydrophobicContact CD2-CD2 4.26Å; L22-F24 HydrophobicContact CD2-CE1 4.34Å; L22-F24 HydrophobicContact CD2-CE2 3.36Å; L22-F24 HydrophobicContact CD2-CZ 3.42Å; L22-F24 VanDerWaalsContact CD2-CZ 3.42Å; L22-F24 HydrophobicContact CG-CZ 4.36Å; F24-F34 HydrophobicContact CD2-CE1 4.01Å; F24-F34 AromaticContact CD2-CZ 3.64Å; F24-F34 HydrophobicContact CD2-CZ 3.64Å; F24-F34 HydrophobicContact CE1-CE1 4.16Å; F24-F34 AromaticContact CE2-CE1 3.49Å; F24-F34 HydrophobicContact CE2-CE1 3.49Å; F24-F34 VanDerWaalsContact CE2-CE1 3.49Å; F24-F34 AromaticContact CE2-CZ 3.6Å; F24-F34 HydrophobicContact CE2-CZ 3.6Å; F24-F34 HydrophobicContact CG-CZ 4.1Å; F24-F34 AromaticContact CZ-CE1 3.56Å; F24-F34 HydrophobicContact CZ-CE1 3.56Å; F24-F34 HydrophobicContact CZ-CZ 4.06Å; F24-R119 CarbonylContact O-C 3.55Å; F24-R119 WeakPolarHBondContact O-CA 2.85Å; F24-V120 PolarHBondContact N-O 2.89Å; F24-V120 PolarHBondContact O-N 3.36Å
25L89.2Confident87.1Confident69 Ų6983.1 Ų83.136%0.36147%0.467SS..EExtended strand (participates in β ladder)trans-101.7128.2170.1-63.2174.2000108.6Y23 K32 Y60 M117 L118 R119Y23-L25 HydrophobicContact CD2-CD2 4.45Å; Y23-L25 HydrophobicContact CE2-CD2 4.31Å; Y23-L25 HydrophobicContact CE2-CG 4.4Å; L25-K32 WeakPolarHBondContact O-CE 3.35Å; L25-Y60 HydrophobicContact CD2-CE1 4.46Å; L25-M117 HydrophobicContact CD1-SD 4.21Å; L25-L118 CarbonylContact C-O 3.58Å; L25-L118 VanDerWaalsContact CA-O 3.3Å; L25-L118 WeakPolarHBondContact CA-O 3.4Å; L25-R119 HydrophobicContact CD2-CB 4.23Å
26I88.9Confident87.3Confident2 Ų281.4 Ų81.41%0.0146%0.456CS..EExtended strand (participates in β ladder)trans-116126175.1-53-163.1000107.4E30 K32 L105 L118 V120I26-E30 WeakPolarHBondContact CG2-O 3.12Å; I26-K32 HydrophobicContact CD1-CB 3.82Å; I26-K32 HydrophobicContact CD1-CG 3.76Å; I26-K32 HydrophobicContact CG1-CB 4.26Å; I26-K32 HydrophobicContact CG1-CG 3.63Å; I26-L105 HydrophobicContact CD1-CB 4.37Å; I26-L118 HydrophobicContact CB-CB 4.4Å; I26-L118 PolarHBondContact N-O 2.89Å; I26-L118 WeakPolarHBondContact O-CB 3.23Å; I26-L118 PolarHBondContact O-N 3.05Å; I26-V120 HydrophobicContact CB-CG2 4.37Å; I26-V120 HydrophobicContact CD1-CB 4.11Å; I26-V120 HydrophobicContact CD1-CG2 3.55Å; I26-V120 HydrophobicContact CG1-CB 4.31Å; I26-V120 HydrophobicContact CG1-CG2 3.73Å
27S84.6Confident87.6Confident48 Ų4882 Ų8234%0.33645%0.447SS..  trans-83.3157.6170.1610000110.6T29 E30S27-T29 PolarHBondContact O-N 3.3Å; S27-E30 PolarHBondContact O-N 3.33Å; S27-E30 WeakPolarHBondContact OG-CB 3.21Å; S27-E30 PolarHBondContact OG-OE2 3.49Å
28E76.6Confident87.8Confident34 Ų3477.6 Ų77.616%0.15942%0.416CS..THydrogen-bonded Turntrans-55.6-30.5-170-69.4177.2-159.300114.6V113 G115 T116E28-V113 VanDerWaalsContact OE1-O 3.06Å; E28-G115 PolarHBondContact OE1-N 2.83Å; E28-T116 PolarHBondContact OE1-N 2.79Å; E28-T116 PolarHBondContact OE1-OG1 2.82Å
29T79.1Confident88.3Confident137 Ų13771.4 Ų71.484%0.8439%0.388SS*.THydrogen-bonded Turntrans-105.5-0.8-178.755.40000114.1S27S27-T29 PolarHBondContact O-N 3.3Å
30E86.7Confident88.7Confident73 Ų7370.1 Ų70.134%0.34137%0.37SS..  trans-95.8139.4-178.4-174.9179-171.700110.5I26 S27 K32I26-E30 WeakPolarHBondContact CG2-O 3.12Å; S27-E30 PolarHBondContact O-N 3.33Å; S27-E30 WeakPolarHBondContact OG-CB 3.21Å; S27-E30 PolarHBondContact OG-OE2 3.49Å; E30-K32 WeakPolarHBondContact OE1-CE 3.45Å; E30-K32 IonicContact OE1-NZ 2.77Å; E30-K32 PolarHBondContact OE1-NZ 3.37Å; E30-K32 IonicContact OE2-NZ 3.8Å
31R90.9Very high89.2Confident151 Ų15170.7 Ų70.757%0.5736%0.364SS*.  trans-102.5134.5166.966.7-178.3-177.4169.62.3109.5F106R31-F106 HydrophobicContact CB-CB 3.63Å; R31-F106 HydrophobicContact CB-CD1 4.05Å; R31-F106 HydrophobicContact CB-CG 4.14Å
32K93.4Very high89.7Confident65 Ų6567.6 Ų67.628%0.28334%0.338SS..EExtended strand (participates in β ladder)trans-104.1125.9170.1-68.2-59.6-167-1740109L25 I26 E30 F34 C104 L105L25-K32 WeakPolarHBondContact O-CE 3.35Å; I26-K32 HydrophobicContact CD1-CB 3.82Å; I26-K32 HydrophobicContact CD1-CG 3.76Å; I26-K32 HydrophobicContact CG1-CB 4.26Å; I26-K32 HydrophobicContact CG1-CG 3.63Å; E30-K32 WeakPolarHBondContact OE1-CE 3.45Å; E30-K32 IonicContact OE1-NZ 2.77Å; E30-K32 PolarHBondContact OE1-NZ 3.37Å; E30-K32 IonicContact OE2-NZ 3.8Å; K32-F34 HydrophobicContact CB-CE2 4.34Å; K32-C104 CarbonylContact O-C 3.54Å; K32-C104 WeakPolarHBondContact O-CA 3.28Å; K32-L105 PolarHBondContact N-O 3.11Å; K32-L105 PolarHBondContact O-N 2.92Å
33C94.9Very high90Very high54 Ų5465.5 Ų65.537%0.36533%0.326SS..EExtended strand (participates in β ladder)trans-116.5135.9-177.6-60.80000110V102 I103 C104C33-V102 HydrophobicContact CB-CG1 3.68Å; C33-I103 CarbonylContact C-O 3.59Å; C33-I103 WeakPolarHBondContact CA-O 3.32Å; C33-C104 HydrophobicContact CB-CB 4.16Å; C33-C104 WeakPolarHBondContact CB-SG 3.4Å; C33-C104 WeakPolarHBondContact SG-CB 3.47Å; C33-C104 CovalentContact SG-SG 2.05Å; C33-C104 PolarHBondContact SG-SG 2.99Å
34F94.2Very high90.3Very high45 Ų4561.2 Ų61.220%0.19731%0.309CS..EExtended strand (participates in β ladder)trans-113.2120.5178.1-61.5-87.3000107.7F24 K32 V102 I103 L105 F122F24-F34 HydrophobicContact CD2-CE1 4.01Å; F24-F34 AromaticContact CD2-CZ 3.64Å; F24-F34 HydrophobicContact CD2-CZ 3.64Å; F24-F34 HydrophobicContact CE1-CE1 4.16Å; F24-F34 AromaticContact CE2-CE1 3.49Å; F24-F34 HydrophobicContact CE2-CE1 3.49Å; F24-F34 VanDerWaalsContact CE2-CE1 3.49Å; F24-F34 AromaticContact CE2-CZ 3.6Å; F24-F34 HydrophobicContact CE2-CZ 3.6Å; F24-F34 HydrophobicContact CG-CZ 4.1Å; F24-F34 AromaticContact CZ-CE1 3.56Å; F24-F34 HydrophobicContact CZ-CE1 3.56Å; F24-F34 HydrophobicContact CZ-CZ 4.06Å; K32-F34 HydrophobicContact CB-CE2 4.34Å; F34-V102 WeakPolarHBondContact O-CA 3.41Å; F34-I103 PolarHBondContact N-O 3.03Å; F34-I103 PolarHBondContact O-N 3Å; F34-L105 HydrophobicContact CD2-CD1 3.81Å; F34-L105 HydrophobicContact CE2-CD1 3.73Å; F34-F122 HydrophobicContact CB-CE1 4.1Å; F34-F122 HydrophobicContact CD1-CD1 4.23Å; F34-F122 AromaticContact CD2-CD1 3.47Å; F34-F122 HydrophobicContact CD2-CD1 3.47Å; F34-F122 VanDerWaalsContact CD2-CD1 3.47Å; F34-F122 AromaticContact CD2-CE1 3.55Å; F34-F122 HydrophobicContact CD2-CE1 3.55Å; F34-F122 HydrophobicContact CE1-CD1 4.31Å; F34-F122 AromaticContact CE2-CD1 3.57Å; F34-F122 HydrophobicContact CE2-CD1 3.57Å; F34-F122 HydrophobicContact CE2-CE1 4.12Å; F34-F122 HydrophobicContact CE2-CG 4.33Å; F34-F122 AromaticContact CG-CD1 3.83Å; F34-F122 HydrophobicContact CG-CD1 3.83Å; F34-F122 AromaticContact CG-CE1 3.81Å; F34-F122 HydrophobicContact CG-CE1 3.81Å; F34-F122 AromaticContact CZ-CD1 4Å; F34-F122 HydrophobicContact CZ-CD1 4Å
35V95Very high90.5Very high82 Ų8258.6 Ų58.650%0.49730%0.298SS..EExtended strand (participates in β ladder)trans-95.3120.8178-173.80000107.5E100 V102V35-E100 HydrophobicContact CG1-CB 3.86Å; V35-E100 HydrophobicContact CG1-CG 3.92Å; V35-V102 HydrophobicContact CG1-CG2 4.48Å; V35-V102 HydrophobicContact CG2-CG1 4.26Å; V35-V102 HydrophobicContact CG2-CG2 4.13Å
36E92.9Very high90.7Very high79 Ų7955.4 Ų55.437%0.36928%0.281SS..EExtended strand (participates in β ladder)trans-121.4132178-166.864.4-146.800109.3I38 H101 V126E36-I38 HydrophobicContact CB-CD1 4.3Å; E36-I38 HydrophobicContact CB-CG1 4.16Å; E36-I38 HydrophobicContact CG-CD1 4.34Å; E36-I38 HydrophobicContact CG-CG1 3.85Å; E36-H101 PolarHBondContact N-O 3.27Å; E36-H101 PolarHBondContact O-N 3.39Å; E36-V126 HydrophobicContact CG-CG2 4.24Å
37E92.7Very high90.9Very high82 Ų8257.2 Ų57.238%0.38329%0.291SS..EExtended strand (participates in β ladder)trans-90.7111.4178.1-166173.8-174.400108.9Y165 R169E37-Y165 VanDerWaalsContact CD-OH 3.24Å; E37-Y165 HydrophobicContact CG-CE1 3.71Å; E37-Y165 WeakPolarHBondContact CG-OH 3.5Å; E37-Y165 WeakPolarHBondContact OE1-CE1 3.38Å; E37-Y165 PolarHBondContact OE1-OH 3.29Å; E37-R169 VanDerWaalsContact CD-NH1 3.34Å; E37-R169 WeakPolarHBondContact OE1-CD 3.47Å; E37-R169 IonicContact OE1-CZ 2.69Å; E37-R169 IonicContact OE1-NE 3.43Å; E37-R169 IonicContact OE1-NH1 3.68Å; E37-R169 PolarHBondContact OE1-NH1 3.41Å; E37-R169 IonicContact OE2-NH1 3.4Å; E37-R169 PolarHBondContact OE2-NH1 3.35Å; E37-R169 VanDerWaalsContact OE2-NH1 3.17Å
38I92.6Very high91.3Very high0 Ų055.3 Ų55.30%028%0.277CS..EExtended strand (participates in β ladder)trans-121.5133.4-169.3-50.5164000109.5E36 T42 V44 F93 P98 G99 H101 V126E36-I38 HydrophobicContact CB-CD1 4.3Å; E36-I38 HydrophobicContact CB-CG1 4.16Å; E36-I38 HydrophobicContact CG-CD1 4.34Å; E36-I38 HydrophobicContact CG-CG1 3.85Å; I38-T42 HydrophobicContact CG2-CG2 4.04Å; I38-V44 HydrophobicContact CD1-CG2 3.59Å; I38-V44 HydrophobicContact CG1-CG2 4.26Å; I38-V44 HydrophobicContact CG2-CG2 4.13Å; I38-F93 HydrophobicContact CD1-CE2 4.03Å; I38-F93 HydrophobicContact CD1-CZ 4.04Å; I38-P98 WeakPolarHBondContact O-CA 3.41Å; I38-G99 PolarHBondContact N-O 2.79Å; I38-G99 PolarHBondContact O-N 2.89Å; I38-H101 HydrophobicContact CD1-CB 3.76Å; I38-V126 HydrophobicContact CG2-CG1 4.19Å
39P92.9Very high92.1Very high10 Ų1057.9 Ų57.97%0.06529%0.287CS..  trans-59.5171.8168.2-21.833.4000112.2S95 K161 E162P39-S95 WeakPolarHBondContact O-CB 3.44Å; P39-S95 PolarHBondContact O-OG 2.94Å; P39-K161 HydrophobicContact CB-CB 4.13Å; P39-E162 HydrophobicContact CG-CG 3.89Å
40D91Very high92.6Very high58 Ų5851.4 Ų51.431%0.3125%0.247SC..THydrogen-bonded Turntrans-69156.8173.769.9-36000112.1T42 P98D40-T42 PolarHBondContact O-N 3.25Å; D40-T42 PolarHBondContact O-OG1 2.93Å; D40-P98 HydrophobicContact CB-CB 4.35Å
41Q91Very high92.7Very high136 Ų13648.6 Ų48.664%0.63624%0.236SC*.THydrogen-bonded Turntrans5038173.1-55.8-174.4-6.800114.3S95Q41-S95 VanDerWaalsContact CA-O 3.27Å; Q41-S95 WeakPolarHBondContact CA-O 3.48Å; Q41-S95 PolarHBondContact N-O 3.35Å; Q41-S95 PolarHBondContact N-OG 3.29Å
42T92.1Very high92.5Very high7 Ų741.7 Ų41.74%0.04321%0.211CC..  trans-114.9130.2-176.5-61.70000109.8I38 D40 T94 S95 V126I38-T42 HydrophobicContact CG2-CG2 4.04Å; D40-T42 PolarHBondContact O-N 3.25Å; D40-T42 PolarHBondContact O-OG1 2.93Å; T42-T94 WeakPolarHBondContact O-CA 3.18Å; T42-S95 PolarHBondContact N-OG 3Å; T42-S95 PolarHBondContact O-N 2.91Å; T42-S95 PolarHBondContact O-OG 2.92Å; T42-V126 HydrophobicContact CG2-CG1 3.73Å
43M92.5Very high92.1Very high85 Ų8542.6 Ų42.642%0.41921%0.214SC..EExtended strand (participates in β ladder)trans-80.3136.5179.8-170.8-179.6-61.400110.3T92 G127M43-T92 HydrophobicContact CG-CG2 4.03Å; M43-T92 HydrophobicContact SD-CG2 4.04Å; M43-G127 PolarHBondContact O-N 2.97Å
44V94.3Very high91.4Very high0 Ų042 Ų420%021%0.206CC..EExtended strand (participates in β ladder)trans-125135.7175.2179.60000110.2I38 T92 F93 V124 Q125 V126I38-V44 HydrophobicContact CD1-CG2 3.59Å; I38-V44 HydrophobicContact CG1-CG2 4.26Å; I38-V44 HydrophobicContact CG2-CG2 4.13Å; V44-T92 WeakPolarHBondContact O-CA 3.21Å; V44-F93 HydrophobicContact CB-CD1 4.26Å; V44-F93 HydrophobicContact CB-CE1 3.74Å; V44-F93 HydrophobicContact CB-CE2 4.05Å; V44-F93 HydrophobicContact CB-CZ 3.62Å; V44-F93 HydrophobicContact CG1-CE1 3.67Å; V44-F93 HydrophobicContact CG1-CZ 3.74Å; V44-F93 HydrophobicContact CG2-CE2 4.28Å; V44-F93 HydrophobicContact CG2-CZ 4.12Å; V44-F93 PolarHBondContact N-O 3.35Å; V44-F93 PolarHBondContact O-N 2.78Å; V44-V124 HydrophobicContact CG1-CG1 3.61Å; V44-Q125 CarbonylContact C-O 3.57Å; V44-Q125 WeakPolarHBondContact CA-O 3.42Å; V44-V126 HydrophobicContact CG1-CG2 4.24Å; V44-V126 HydrophobicContact CG2-CB 4.31Å; V44-V126 HydrophobicContact CG2-CG1 4.01Å; V44-V126 HydrophobicContact CG2-CG2 3.94Å
45I94.2Very high90.7Very high13 Ų1343.8 Ų43.87%0.06722%0.223CC..EExtended strand (participates in β ladder)trans-122.5116.2176.4-60.6179.4000108.7R90 V91 T92 Q125 A130I45-R90 HydrophobicContact CG2-CG 3.63Å; I45-V91 CarbonylContact C-O 3.29Å; I45-V91 WeakPolarHBondContact CA-O 3.04Å; I45-T92 HydrophobicContact CG1-CG2 3.95Å; I45-Q125 PolarHBondContact N-O 2.93Å; I45-Q125 PolarHBondContact O-N 2.77Å; I45-A130 HydrophobicContact CB-CB 4.33Å; I45-A130 HydrophobicContact CD1-CB 3.87Å; I45-A130 WeakPolarHBondContact CD1-O 3.33Å; I45-A130 HydrophobicContact CG1-CB 3.86Å
46G93.9Very high90.1Very high2 Ų248.7 Ų48.72%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-100.2114.3169.700000110.5R90 V91 N123G46-R90 WeakPolarHBondContact O-CA 3.48Å; G46-V91 PolarHBondContact N-O 3.25Å; G46-V91 PolarHBondContact O-N 2.77Å; G46-N123 CarbonylContact C-O 3.52Å; G46-N123 WeakPolarHBondContact CA-O 3.43Å
47N94.1Very high89.7Confident40 Ų4048.5 Ų48.521%0.21425%0.245CC..EExtended strand (participates in β ladder)trans-97.4131.3168.5-57.9-73.8000108.4G89 R90 F122 N123N47-G89 WeakPolarHBondContact CA-O 3.49Å; N47-R90 WeakPolarHBondContact OD1-CG 3.16Å; N47-R90 PolarHBondContact OD1-NE 3.46Å; N47-R90 VanDerWaalsContact OD1-NE 3.07Å; N47-F122 WeakPolarHBondContact O-CD2 3.41Å; N47-N123 PolarHBondContact N-O 3.23Å; N47-N123 PolarHBondContact O-N 2.89Å
48Y92.8Very high89.1Confident8 Ų852.3 Ų52.33%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-131.4149.6176.877.5-89.1000111.6V50 M68 V70 Y85 T86 E88 G89 V91 L105 D121Y48-V50 HydrophobicContact CD2-CG2 3.64Å; Y48-V50 HydrophobicContact CE2-CG2 3.76Å; Y48-M68 HydrophobicContact CD2-CG 4.26Å; Y48-M68 HydrophobicContact CE2-CB 3.71Å; Y48-M68 HydrophobicContact CE2-CG 3.88Å; Y48-V70 HydrophobicContact CD1-CG2 4.37Å; Y48-V70 HydrophobicContact CE1-CG2 4.09Å; Y48-Y85 HydrophobicContact CE1-CG 4.5Å; Y48-Y85 WeakPolarHBondContact OH-CB 3.45Å; Y48-T86 PolarHBondContact OH-O 3.49Å; Y48-E88 WeakPolarHBondContact O-CA 3.45Å; Y48-G89 WeakPolarHBondContact CD1-O 3.35Å; Y48-G89 VanDerWaalsContact CE1-CA 3.48Å; Y48-G89 PolarHBondContact N-O 3.18Å; Y48-G89 PolarHBondContact O-N 3.18Å; Y48-G89 VanDerWaalsContact O-N 3.1Å; Y48-V91 HydrophobicContact CD1-CG2 4.4Å; Y48-V91 HydrophobicContact CE1-CG2 4.27Å; Y48-L105 HydrophobicContact CD1-CD2 4.22Å; Y48-L105 HydrophobicContact CD2-CD2 4.29Å; Y48-L105 HydrophobicContact CG-CD2 3.85Å; Y48-D121 CarbonylContact C-O 3.56Å; Y48-D121 WeakPolarHBondContact CA-O 3.34Å
49K92.3Very high88.7Confident89 Ų8959.4 Ų59.439%0.38729%0.291SS..EExtended strand (participates in β ladder)trans-135128.4174.1-170.8177-172.2173.70109.3Q62 V120 D121K49-Q62 VanDerWaalsContact CE-OE1 3.23Å; K49-V120 WeakPolarHBondContact O-CA 3.44Å; K49-D121 HydrophobicContact CB-CB 4.33Å; K49-D121 PolarHBondContact N-O 3.35Å; K49-D121 PolarHBondContact O-N 3.18Å
50V90Very high88.3Confident0 Ų062.5 Ų62.50%030%0.302CS..EExtended strand (participates in β ladder)trans-112.6130.5-178.9-166.60000109.8Y48 L66 M68 N87 L118 R119 V120Y48-V50 HydrophobicContact CD2-CG2 3.64Å; Y48-V50 HydrophobicContact CE2-CG2 3.76Å; V50-L66 HydrophobicContact CB-CD2 4.12Å; V50-L66 HydrophobicContact CG1-CD2 3.42Å; V50-L66 VanDerWaalsContact CG1-CD2 3.42Å; V50-M68 HydrophobicContact CB-CE 4.36Å; V50-M68 HydrophobicContact CG1-CE 3.91Å; V50-M68 HydrophobicContact CG2-CB 4.28Å; V50-M68 HydrophobicContact CG2-CE 3.53Å; V50-M68 HydrophobicContact CG2-CG 4.28Å; V50-N87 WeakPolarHBondContact CB-O 3.41Å; V50-N87 WeakPolarHBondContact CG2-O 3.48Å; V50-N87 PolarHBondContact N-O 3.36Å; V50-L118 HydrophobicContact CG1-CB 4.05Å; V50-L118 HydrophobicContact CG1-CD1 4.36Å; V50-L118 HydrophobicContact CG1-CD2 4.27Å; V50-L118 HydrophobicContact CG1-CG 4.46Å; V50-R119 CarbonylContact C-O 3.59Å; V50-R119 WeakPolarHBondContact CA-O 3.36Å; V50-V120 HydrophobicContact CG1-CG2 4.09Å; V50-V120 HydrophobicContact CG2-CG2 4.17Å
51S88.9Confident87.9Confident15 Ų1561.8 Ų61.811%0.10530%0.302CS..EExtended strand (participates in β ladder)trans-126.6129.3173.6-53.40000108.8R119S51-R119 PolarHBondContact N-O 2.91Å; S51-R119 PolarHBondContact O-N 3.45Å
52A86.4Confident87.4Confident6 Ų659.2 Ų59.25%0.0529%0.29CS..EExtended strand (participates in β ladder)trans-92.9150174.900000110.1D54 Y60 S61 L63 L118A52-D54 PolarHBondContact O-N 3.07Å; A52-Y60 WeakPolarHBondContact O-CA 3.33Å; A52-S61 PolarHBondContact N-O 2.97Å; A52-S61 PolarHBondContact O-N 2.88Å; A52-L63 HydrophobicContact CB-CD1 3.39Å; A52-L118 HydrophobicContact CB-CD2 3.66Å
53Y85Confident86.4Confident84 Ų8463 Ų6333%0.32931%0.309SS..EExtended strand (participates in β ladder)trans-74.3119.4171.9-175.4-102.3000110.5P55 Y60 M117Y53-P55 WeakPolarHBondContact O-CD 3.49Å; Y53-Y60 HydrophobicContact CD2-CD2 4.22Å; Y53-Y60 HydrophobicContact CD2-CE1 4.19Å; Y53-Y60 AromaticContact CD2-CE2 3.82Å; Y53-Y60 HydrophobicContact CD2-CE2 3.82Å; Y53-Y60 AromaticContact CD2-CZ 3.82Å; Y53-Y60 HydrophobicContact CE2-CE2 4.5Å; Y53-Y60 HydrophobicContact CG-CE1 4.45Å; Y53-M117 PolarHBondContact N-O 3.16Å
54D81.6Confident85.5Confident40 Ų4063.9 Ų63.921%0.21433%0.33CS..EExtended strand (participates in β ladder)trans-92.6115.7171.9172.612.8000110.1A52 Q56 T57 K58 K59A52-D54 PolarHBondContact O-N 3.07Å; D54-Q56 PolarHBondContact O-N 3.34Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.32Å; D54-Q56 PolarHBondContact OD1-N 3.44Å; D54-T57 WeakPolarHBondContact CB-OG1 3.42Å; D54-T57 VanDerWaalsContact CG-OG1 3.29Å; D54-T57 WeakPolarHBondContact OD2-CB 3.44Å; D54-T57 VanDerWaalsContact OD2-CG2 3.28Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.34Å; D54-T57 PolarHBondContact OD2-N 2.89Å; D54-T57 PolarHBondContact OD2-OG1 3.37Å; D54-K58 WeakPolarHBondContact O-CA 3.28Å; D54-K58 PolarHBondContact O-N 3.18Å; D54-K59 PolarHBondContact N-O 2.95Å
55P79.6Confident84.6Confident84 Ų8466.9 Ų66.955%0.54536%0.361SS..THydrogen-bonded Turntrans-61.2-28.6178.7-21.833000113.9Y53Y53-P55 WeakPolarHBondContact O-CD 3.49Å
56Q82.1Confident84Confident184 Ų18467.6 Ų67.686%0.8637%0.365SS*.THydrogen-bonded Turntrans-76-46.1-175.7-60-168.58.800111.3D54D54-Q56 PolarHBondContact O-N 3.34Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.32Å; D54-Q56 PolarHBondContact OD1-N 3.44Å
57T83.5Confident83.6Confident76 Ų7668.4 Ų68.447%0.46637%0.373SS..THydrogen-bonded Turntrans-88-9.3179.258.10000113.4D54 K59D54-T57 WeakPolarHBondContact CB-OG1 3.42Å; D54-T57 VanDerWaalsContact CG-OG1 3.29Å; D54-T57 WeakPolarHBondContact OD2-CB 3.44Å; D54-T57 VanDerWaalsContact OD2-CG2 3.28Å; D54-T57 WeakPolarHBondContact OD2-CG2 3.34Å; D54-T57 PolarHBondContact OD2-N 2.89Å; D54-T57 PolarHBondContact OD2-OG1 3.37Å; T57-K59 WeakPolarHBondContact O-CG 3.46Å; T57-K59 PolarHBondContact O-N 3.04Å; T57-K59 VanDerWaalsContact O-N 3.16Å
58K80.5Confident83.3Confident161 Ų16166.5 Ų66.570%0.736%0.363SS*.THydrogen-bonded Turntrans50.231.6-171-61.5-174.6179-178.80112.4D54D54-K58 WeakPolarHBondContact O-CA 3.28Å; D54-K58 PolarHBondContact O-N 3.18Å
59K84.4Confident83.3Confident150 Ų15067.3 Ų67.365%0.65237%0.367SS*.EExtended strand (participates in β ladder)trans-129152.8-176.6-75.1178.5-177.5-1770109.6D54 T57D54-K59 PolarHBondContact N-O 2.95Å; T57-K59 WeakPolarHBondContact O-CG 3.46Å; T57-K59 PolarHBondContact O-N 3.04Å; T57-K59 VanDerWaalsContact O-N 3.16Å
60Y83.2Confident83.4Confident74 Ų7463.1 Ų63.129%0.2935%0.349SS..EExtended strand (participates in β ladder)trans-81.3119.2169.5-70.9-90000108.3L25 A52 Y53 R119L25-Y60 HydrophobicContact CD2-CE1 4.46Å; A52-Y60 WeakPolarHBondContact O-CA 3.33Å; Y53-Y60 HydrophobicContact CD2-CD2 4.22Å; Y53-Y60 HydrophobicContact CD2-CE1 4.19Å; Y53-Y60 AromaticContact CD2-CE2 3.82Å; Y53-Y60 HydrophobicContact CD2-CE2 3.82Å; Y53-Y60 AromaticContact CD2-CZ 3.82Å; Y53-Y60 HydrophobicContact CE2-CE2 4.5Å; Y53-Y60 HydrophobicContact CG-CE1 4.45Å; Y60-R119 HydrophobicContact CD1-CB 3.68Å; Y60-R119 VanDerWaalsContact CD2-CZ 3.4Å; Y60-R119 HydrophobicContact CE1-CB 3.77Å; Y60-R119 VanDerWaalsContact CE2-CZ 3.48Å; Y60-R119 HydrophobicContact CG-CB 4.46Å
61S82.9Confident83.7Confident44 Ų4465 Ų6531%0.30836%0.358SS..EExtended strand (participates in β ladder)trans-123.3150.2178.764.70000110.4A52 L63A52-S61 PolarHBondContact N-O 2.97Å; A52-S61 PolarHBondContact O-N 2.88Å; S61-L63 PolarHBondContact O-N 3.19Å
62Q80.5Confident84.1Confident82 Ų8264.3 Ų64.338%0.38335%0.353SS..  trans-76.6110.1172.8-71.7-175-86.500108.2K49 N87 E88K49-Q62 VanDerWaalsContact CE-OE1 3.23Å; Q62-N87 PolarHBondContact NE2-ND2 3.29Å; Q62-E88 PolarHBondContact NE2-OE2 2.73Å
63L72.7Confident84.6Confident85 Ų8565.2 Ų65.245%0.44536%0.358SS..  trans-84.4125.2172.6-81.299.4000110.9A52 S61 G65A52-L63 HydrophobicContact CB-CD1 3.39Å; S61-L63 PolarHBondContact O-N 3.19Å; L63-G65 PolarHBondContact O-N 3.43Å
64A72Confident85Confident104 Ų10462 Ų6286%0.8635%0.347SS*.THydrogen-bonded Turntrans-68.8117167.900000109.3
65G76.3Confident85.6Confident64 Ų6462.6 Ų62.666%0.6635%0.352SS*.THydrogen-bonded Turntrans111.8-0.2178.600000115.7L63L63-G65 PolarHBondContact O-N 3.43Å
66L80.8Confident86.3Confident28 Ų2863.3 Ų63.315%0.14735%0.351CS..  trans-76.4124.5164.8-176.968.8000109.3V50 T86 N87 L118V50-L66 HydrophobicContact CB-CD2 4.12Å; V50-L66 HydrophobicContact CG1-CD2 3.42Å; V50-L66 VanDerWaalsContact CG1-CD2 3.42Å; L66-T86 CarbonylContact O-C 3.51Å; L66-T86 VanDerWaalsContact O-C 3.29Å; L66-N87 PolarHBondContact O-N 3.47Å; L66-L118 HydrophobicContact CD1-CD1 4.25Å; L66-L118 HydrophobicContact CD1-CD2 4.31Å; L66-L118 HydrophobicContact CD2-CD1 4.08Å; L66-L118 HydrophobicContact CD2-CD2 3.56Å; L66-L118 HydrophobicContact CD2-CG 4.43Å
67G85.4Confident86.8Confident19 Ų1957.1 Ų57.120%0.19634%0.337CS..  trans-101.5130.7173.900000111.4Y85 N108G67-Y85 CarbonylContact C-O 3.56Å; G67-Y85 VanDerWaalsContact CA-O 3.23Å; G67-Y85 WeakPolarHBondContact CA-O 3.31Å; G67-N108 PolarHBondContact O-N 2.93Å
68M89Confident87.4Confident0 Ų059 Ų590%034%0.34CS..EExtended strand (participates in β ladder)trans-108.4120.3175.2-173.158.367.500109.5Y48 V50 V70 Y85 L105 F106 L118 V120Y48-M68 HydrophobicContact CD2-CG 4.26Å; Y48-M68 HydrophobicContact CE2-CB 3.71Å; Y48-M68 HydrophobicContact CE2-CG 3.88Å; V50-M68 HydrophobicContact CB-CE 4.36Å; V50-M68 HydrophobicContact CG1-CE 3.91Å; V50-M68 HydrophobicContact CG2-CB 4.28Å; V50-M68 HydrophobicContact CG2-CE 3.53Å; V50-M68 HydrophobicContact CG2-CG 4.28Å; M68-V70 HydrophobicContact CG-CG2 4.48Å; M68-Y85 PolarHBondContact N-O 2.96Å; M68-Y85 PolarHBondContact O-N 3.16Å; M68-L105 HydrophobicContact CG-CB 4.44Å; M68-L105 HydrophobicContact CG-CD2 4.26Å; M68-L105 HydrophobicContact SD-CB 4.03Å; M68-F106 PolarHBondContact SD-N 3.31Å; M68-L118 HydrophobicContact CE-CD1 4.23Å; M68-V120 HydrophobicContact CE-CG2 4.04Å
69H92.6Very high88.1Confident25 Ų2555 Ų5512%0.11633%0.329CS..EExtended strand (participates in β ladder)trans-86130.3173.7-16795.2000109.3S82 L84 L105 F106H69-S82 PolarHBondContact CE1-OG 2.92Å; H69-S82 PolarHBondContact NE2-OG 2.69Å; H69-L84 HydrophobicContact CB-CD1 4.14Å; H69-L105 WeakPolarHBondContact O-CA 3.2Å; H69-F106 WeakPolarHBondContact CA-O 3.47Å; H69-F106 HydrophobicContact CB-CD2 3.88Å; H69-F106 HydrophobicContact CB-CE1 4.31Å; H69-F106 HydrophobicContact CB-CE2 3.65Å; H69-F106 HydrophobicContact CB-CG 4.32Å; H69-F106 HydrophobicContact CB-CZ 3.9Å; H69-F106 WeakPolarHBondContact CB-O 3.23Å; H69-F106 AromaticContact CD2-CE1 3.39Å; H69-F106 WeakPolarHBondContact CD2-CE1 3.3Å; H69-F106 AromaticContact CD2-CE2 3.69Å; H69-F106 AromaticContact CD2-CZ 3.02Å; H69-F106 WeakPolarHBondContact CD2-CZ 3.4Å; H69-F106 AromaticContact CG-CE2 3.69Å; H69-F106 AromaticContact CG-CZ 3.55Å; H69-F106 PolarHBondContact N-O 2.89Å; H69-F106 AromaticContact NE2-CZ 3.77Å; H69-F106 PolarHBondContact O-N 3.33Å
70V94.8Very high88.5Confident1 Ų151.2 Ų51.21%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-118.6125.5175.2-173.90000109.2Y48 M68 S82 R83 Y85 V91 I103 C104 L105Y48-V70 HydrophobicContact CD1-CG2 4.37Å; Y48-V70 HydrophobicContact CE1-CG2 4.09Å; M68-V70 HydrophobicContact CG-CG2 4.48Å; V70-S82 WeakPolarHBondContact O-CA 3.46Å; V70-R83 PolarHBondContact N-O 3.36Å; V70-R83 PolarHBondContact O-N 2.93Å; V70-Y85 HydrophobicContact CB-CD2 4.27Å; V70-Y85 HydrophobicContact CB-CE2 4.21Å; V70-Y85 HydrophobicContact CG2-CD2 4.05Å; V70-Y85 HydrophobicContact CG2-CE2 4.4Å; V70-V91 HydrophobicContact CB-CG2 4.08Å; V70-V91 HydrophobicContact CG1-CG1 4.17Å; V70-V91 HydrophobicContact CG1-CG2 3.96Å; V70-V91 HydrophobicContact CG2-CG2 4Å; V70-I103 HydrophobicContact CG1-CG2 4.02Å; V70-C104 WeakPolarHBondContact CA-O 3.39Å; V70-L105 HydrophobicContact CG2-CD2 4.08Å; V70-L105 HydrophobicContact CG2-CG 4.2Å
71E95.5Very high89Confident40 Ų4048.5 Ų48.519%0.18731%0.305CS..EExtended strand (participates in β ladder)trans-119.9133.7177.1-174.3174.291.400109.3T73 V79 L81 I103 C104 F106E71-T73 HydrophobicContact CG-CG2 4.47Å; E71-V79 HydrophobicContact CG-CG1 3.92Å; E71-V79 HydrophobicContact CG-CG2 4.39Å; E71-L81 CarbonylContact C-O 3.49Å; E71-L81 VanDerWaalsContact CA-O 3.31Å; E71-L81 WeakPolarHBondContact CA-O 3.37Å; E71-I103 CarbonylContact O-C 3.58Å; E71-I103 WeakPolarHBondContact O-CA 3.35Å; E71-C104 HydrophobicContact CB-CB 4.46Å; E71-C104 PolarHBondContact N-O 2.78Å; E71-C104 PolarHBondContact O-N 2.85Å; E71-F106 HydrophobicContact CB-CE1 4.18Å
72V96.7Very high89.6Confident0 Ų049.3 Ų49.30%031%0.311CS..EExtended strand (participates in β ladder)trans-123122.4177.2-175.10000108.4V79 M80 L81 V91 F93 V102 I103V72-V79 CarbonylContact O-C 3.59Å; V72-M80 PolarHBondContact O-N 2.93Å; V72-L81 HydrophobicContact CB-CB 4.19Å; V72-L81 HydrophobicContact CG2-CB 4.27Å; V72-L81 HydrophobicContact CG2-CD2 4.37Å; V72-L81 PolarHBondContact N-O 3Å; V72-L81 PolarHBondContact O-N 3.21Å; V72-V91 HydrophobicContact CG2-CG1 4.46Å; V72-F93 HydrophobicContact CG1-CD1 4.05Å; V72-F93 HydrophobicContact CG1-CD2 4.06Å; V72-F93 HydrophobicContact CG1-CE1 3.88Å; V72-F93 HydrophobicContact CG1-CE2 3.89Å; V72-F93 HydrophobicContact CG1-CG 4.14Å; V72-F93 HydrophobicContact CG1-CZ 3.79Å; V72-F93 HydrophobicContact CG2-CD1 4.07Å; V72-F93 HydrophobicContact CG2-CE1 4.17Å; V72-V102 VanDerWaalsContact CA-O 3.31Å; V72-V102 WeakPolarHBondContact CA-O 3.15Å; V72-I103 HydrophobicContact CG1-CG1 4.36Å; V72-I103 HydrophobicContact CG2-CG1 4.32Å; V72-I103 HydrophobicContact CG2-CG2 4.27Å
73T96.5Very high90.2Very high24 Ų2452.6 Ų52.615%0.14732%0.32CS..EExtended strand (participates in β ladder)trans-112.1144.217661.10000111.7E71 H78 V79 H101 V102E71-T73 HydrophobicContact CG-CG2 4.47Å; T73-H78 CarbonylContact C-O 3.58Å; T73-H78 VanDerWaalsContact CA-O 3.3Å; T73-H78 WeakPolarHBondContact CA-O 3.31Å; T73-V79 HydrophobicContact CG2-CG2 3.98Å; T73-H101 WeakPolarHBondContact O-CA 3.49Å; T73-V102 PolarHBondContact N-O 2.81Å; T73-V102 PolarHBondContact O-N 3.23Å; T73-V102 WeakPolarHBondContact OG1-CB 3.09Å
74D95.1Very high91.1Very high18 Ų1853 Ų5310%0.09632%0.322CS..  trans-78.6173.6173.982.1-3000112D76 G77 H78 M80D74-D76 PolarHBondContact O-N 2.99Å; D74-D76 WeakPolarHBondContact OD1-CA 3.14Å; D74-D76 PolarHBondContact OD1-N 3.45Å; D74-G77 PolarHBondContact O-N 3.47Å; D74-G77 PolarHBondContact OD1-N 2.98Å; D74-H78 PolarHBondContact N-O 3.46Å; D74-H78 IonicContact OD1-CG 3.37Å; D74-H78 PolarHBondContact OD1-N 3.38Å; D74-H78 IonicContact OD1-ND1 3.87Å; D74-H78 PolarHBondContact OD1-ND1 3.01Å; D74-H78 IonicContact OD2-CG 3.83Å; D74-H78 IonicContact OD2-ND1 3.74Å; D74-H78 PolarHBondContact OD2-ND1 3.33Å; D74-M80 HydrophobicContact CB-CG 3.98Å; D74-M80 HydrophobicContact CB-SD 3.77Å
75P94Very high92Very high52 Ų5250.6 Ų50.634%0.33829%0.291SS..THydrogen-bonded Turntrans-61.6-20.4178.9-22.632.1000114.9E100P75-E100 WeakPolarHBondContact CA-O 3.43Å; P75-E100 VanDerWaalsContact CG-O 3.32Å; P75-E100 WeakPolarHBondContact CG-O 3.48Å
76D93.6Very high92.7Very high98 Ų9851.7 Ų51.752%0.52429%0.285SS..THydrogen-bonded Turntrans-92.3-0177.8-64.7-49.8000112.4D74 H78 K97D74-D76 PolarHBondContact O-N 2.99Å; D74-D76 WeakPolarHBondContact OD1-CA 3.14Å; D74-D76 PolarHBondContact OD1-N 3.45Å; D76-H78 WeakPolarHBondContact CB-ND1 3.44Å; D76-K97 WeakPolarHBondContact OD2-CD 3.3Å; D76-K97 WeakPolarHBondContact OD2-CE 3.47Å; D76-K97 IonicContact OD2-NZ 2.54Å; D76-K97 PolarHBondContact OD2-NZ 2.92Å
77G93.3Very high93Very high54 Ų5451.7 Ų51.756%0.55729%0.285SS*.SBendtrans85.310.8-179.400000115.1D74D74-G77 PolarHBondContact O-N 3.47Å; D74-G77 PolarHBondContact OD1-N 2.98Å
78H95.3Very high93.3Very high115 Ų11555.6 Ų55.653%0.53230%0.298SS..  trans-80132.3174.3-55.592.4000111.1T73 D74 D76 M80T73-H78 CarbonylContact C-O 3.58Å; T73-H78 VanDerWaalsContact CA-O 3.3Å; T73-H78 WeakPolarHBondContact CA-O 3.31Å; D74-H78 PolarHBondContact N-O 3.46Å; D74-H78 IonicContact OD1-CG 3.37Å; D74-H78 PolarHBondContact OD1-N 3.38Å; D74-H78 IonicContact OD1-ND1 3.87Å; D74-H78 PolarHBondContact OD1-ND1 3.01Å; D74-H78 IonicContact OD2-CG 3.83Å; D74-H78 IonicContact OD2-ND1 3.74Å; D74-H78 PolarHBondContact OD2-ND1 3.33Å; D76-H78 WeakPolarHBondContact CB-ND1 3.44Å; H78-M80 PolarHBondContact O-N 3.03Å
79V95.3Very high93.4Very high77 Ų7756.6 Ų56.647%0.46731%0.309SS..EExtended strand (participates in β ladder)trans-74.6108.7175.9-178.40000109.5E71 V72 T73E71-V79 HydrophobicContact CG-CG1 3.92Å; E71-V79 HydrophobicContact CG-CG2 4.39Å; V72-V79 CarbonylContact O-C 3.59Å; T73-V79 HydrophobicContact CG2-CG2 3.98Å
80M93.3Very high93.4Very high71 Ų7161.8 Ų61.835%0.3533%0.327SS..EExtended strand (participates in β ladder)trans-82.7-32.7178-63.1-174.171.400112.2V72 D74 H78 T94V72-M80 PolarHBondContact O-N 2.93Å; D74-M80 HydrophobicContact CB-CG 3.98Å; D74-M80 HydrophobicContact CB-SD 3.77Å; H78-M80 PolarHBondContact O-N 3.03Å; M80-T94 WeakPolarHBondContact CE-O 3.4Å
81L93.7Very high93.3Very high17 Ų1761.9 Ų61.99%0.08933%0.328CS..EExtended strand (participates in β ladder)trans-146.2128.8-179.6-175149000109.1E71 V72 R83 V91E71-L81 CarbonylContact C-O 3.49Å; E71-L81 VanDerWaalsContact CA-O 3.31Å; E71-L81 WeakPolarHBondContact CA-O 3.37Å; V72-L81 HydrophobicContact CB-CB 4.19Å; V72-L81 HydrophobicContact CG2-CB 4.27Å; V72-L81 HydrophobicContact CG2-CD2 4.37Å; V72-L81 PolarHBondContact N-O 3Å; V72-L81 PolarHBondContact O-N 3.21Å; L81-R83 HydrophobicContact CD2-CB 4.22Å; L81-R83 HydrophobicContact CD2-CG 4.21Å; L81-R83 HydrophobicContact CG-CG 4.34Å; L81-V91 HydrophobicContact CD1-CG1 4.17Å; L81-V91 HydrophobicContact CD2-CG1 3.87Å
82S95.3Very high93.2Very high61 Ų6162.9 Ų62.943%0.42734%0.337SS..EExtended strand (participates in β ladder)trans-138.4112.21701670000107.3H69 V70H69-S82 PolarHBondContact CE1-OG 2.92Å; H69-S82 PolarHBondContact NE2-OG 2.69Å; V70-S82 WeakPolarHBondContact O-CA 3.46Å
83R93.8Very high93.1Very high151 Ų15163.6 Ų63.657%0.5734%0.34SS*.EExtended strand (participates in β ladder)trans-146.3141.3-175.7-68.9-174.2-174.3171.63.1111.4V70 L81 Y85V70-R83 PolarHBondContact N-O 3.36Å; V70-R83 PolarHBondContact O-N 2.93Å; L81-R83 HydrophobicContact CD2-CB 4.22Å; L81-R83 HydrophobicContact CD2-CG 4.21Å; L81-R83 HydrophobicContact CG-CG 4.34Å; R83-Y85 HydrophobicContact CB-CD2 4.18Å; R83-Y85 HydrophobicContact CB-CE2 3.53Å; R83-Y85 WeakPolarHBondContact O-CD2 3.37Å
84L91.7Very high92.9Very high95 Ų9565.7 Ų65.750%0.49735%0.353SS..EExtended strand (participates in β ladder)trans-89.5127.5169.9-175.166.7000109.5H69 N108H69-L84 HydrophobicContact CB-CD1 4.14Å; L84-N108 HydrophobicContact CD1-CB 3.62Å
85Y90.9Very high92.9Very high52 Ų5265 Ų6520%0.20435%0.349CS..EExtended strand (participates in β ladder)trans-120.9175.8176.8-64.8-87.7000110.3Y48 G67 M68 V70 R83 V91Y48-Y85 HydrophobicContact CE1-CG 4.5Å; Y48-Y85 WeakPolarHBondContact OH-CB 3.45Å; G67-Y85 CarbonylContact C-O 3.56Å; G67-Y85 VanDerWaalsContact CA-O 3.23Å; G67-Y85 WeakPolarHBondContact CA-O 3.31Å; M68-Y85 PolarHBondContact N-O 2.96Å; M68-Y85 PolarHBondContact O-N 3.16Å; V70-Y85 HydrophobicContact CB-CD2 4.27Å; V70-Y85 HydrophobicContact CB-CE2 4.21Å; V70-Y85 HydrophobicContact CG2-CD2 4.05Å; V70-Y85 HydrophobicContact CG2-CE2 4.4Å; R83-Y85 HydrophobicContact CB-CD2 4.18Å; R83-Y85 HydrophobicContact CB-CE2 3.53Å; R83-Y85 WeakPolarHBondContact O-CD2 3.37Å; Y85-V91 HydrophobicContact CD2-CG2 4.22Å; Y85-V91 HydrophobicContact CE2-CG2 3.63Å
86T90.1Very high92.8Very high88 Ų8866.8 Ų66.854%0.5436%0.363SS..  trans-78.3-157.7177.851.50000111.4Y48 L66 E88Y48-T86 PolarHBondContact OH-O 3.49Å; L66-T86 CarbonylContact O-C 3.51Å; L66-T86 VanDerWaalsContact O-C 3.29Å; T86-E88 VanDerWaalsContact C-N 3.25Å; T86-E88 PolarHBondContact O-N 2.95Å; T86-E88 PolarHBondContact OG1-O 3.38Å; T86-E88 VanDerWaalsContact OG1-O 3.1Å
87N88.1Confident92.6Very high28 Ų2866.5 Ų66.515%0.1536%0.357CS..SBendtrans-72.6-14.4178.361.4-47.3000113.9V50 Q62 L66V50-N87 WeakPolarHBondContact CB-O 3.41Å; V50-N87 WeakPolarHBondContact CG2-O 3.48Å; V50-N87 PolarHBondContact N-O 3.36Å; Q62-N87 PolarHBondContact NE2-ND2 3.29Å; L66-N87 PolarHBondContact O-N 3.47Å
88E90.8Very high92.6Very high101 Ų10166 Ų6647%0.47234%0.344SS..EExtended strand (participates in β ladder)trans-143.1145.5174.262.2-174.5-159.800109.3Y48 Q62 T86Y48-E88 WeakPolarHBondContact O-CA 3.45Å; Q62-E88 PolarHBondContact NE2-OE2 2.73Å; T86-E88 VanDerWaalsContact C-N 3.25Å; T86-E88 PolarHBondContact O-N 2.95Å; T86-E88 PolarHBondContact OG1-O 3.38Å; T86-E88 VanDerWaalsContact OG1-O 3.1Å
89G91.4Very high92.5Very high21 Ų2160.9 Ų60.922%0.21632%0.322CS..EExtended strand (participates in β ladder)trans-168.3162.5-177.300000114.1N47 Y48N47-G89 WeakPolarHBondContact CA-O 3.49Å; Y48-G89 WeakPolarHBondContact CD1-O 3.35Å; Y48-G89 VanDerWaalsContact CE1-CA 3.48Å; Y48-G89 PolarHBondContact N-O 3.18Å; Y48-G89 PolarHBondContact O-N 3.18Å; Y48-G89 VanDerWaalsContact O-N 3.1Å
90R92.4Very high92.5Very high133 Ų13362.8 Ų62.850%0.50233%0.326SS..EExtended strand (participates in β ladder)trans-117.4117.7173.1179.6179.5-66.7-165.5-0.2108.5I45 G46 N47I45-R90 HydrophobicContact CG2-CG 3.63Å; G46-R90 WeakPolarHBondContact O-CA 3.48Å; N47-R90 WeakPolarHBondContact OD1-CG 3.16Å; N47-R90 PolarHBondContact OD1-NE 3.46Å; N47-R90 VanDerWaalsContact OD1-NE 3.07Å
91V92.8Very high92.6Very high3 Ų359.4 Ų59.42%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-103.6126.3175.9-1750000107.8I45 G46 Y48 V70 V72 L81 Y85I45-V91 CarbonylContact C-O 3.29Å; I45-V91 WeakPolarHBondContact CA-O 3.04Å; G46-V91 PolarHBondContact N-O 3.25Å; G46-V91 PolarHBondContact O-N 2.77Å; Y48-V91 HydrophobicContact CD1-CG2 4.4Å; Y48-V91 HydrophobicContact CE1-CG2 4.27Å; V70-V91 HydrophobicContact CB-CG2 4.08Å; V70-V91 HydrophobicContact CG1-CG1 4.17Å; V70-V91 HydrophobicContact CG1-CG2 3.96Å; V70-V91 HydrophobicContact CG2-CG2 4Å; V72-V91 HydrophobicContact CG2-CG1 4.46Å; L81-V91 HydrophobicContact CD1-CG1 4.17Å; L81-V91 HydrophobicContact CD2-CG1 3.87Å; Y85-V91 HydrophobicContact CD2-CG2 4.22Å; Y85-V91 HydrophobicContact CE2-CG2 3.63Å
92T93.6Very high92.7Very high61 Ų6160.2 Ų60.237%0.37432%0.315SS..EExtended strand (participates in β ladder)trans-126.9130.6179.8-570000109.1M43 V44 I45M43-T92 HydrophobicContact CG-CG2 4.03Å; M43-T92 HydrophobicContact SD-CG2 4.04Å; V44-T92 WeakPolarHBondContact O-CA 3.21Å; I45-T92 HydrophobicContact CG1-CG2 3.95Å
93F93.9Very high92.8Very high16 Ų1657.5 Ų57.57%0.0730%0.296CS..EExtended strand (participates in β ladder)trans-144.8164.3173.368.6-85.6000109.8I38 V44 V72 H101 I103I38-F93 HydrophobicContact CD1-CE2 4.03Å; I38-F93 HydrophobicContact CD1-CZ 4.04Å; V44-F93 HydrophobicContact CB-CD1 4.26Å; V44-F93 HydrophobicContact CB-CE1 3.74Å; V44-F93 HydrophobicContact CB-CE2 4.05Å; V44-F93 HydrophobicContact CB-CZ 3.62Å; V44-F93 HydrophobicContact CG1-CE1 3.67Å; V44-F93 HydrophobicContact CG1-CZ 3.74Å; V44-F93 HydrophobicContact CG2-CE2 4.28Å; V44-F93 HydrophobicContact CG2-CZ 4.12Å; V44-F93 PolarHBondContact N-O 3.35Å; V44-F93 PolarHBondContact O-N 2.78Å; V72-F93 HydrophobicContact CG1-CD1 4.05Å; V72-F93 HydrophobicContact CG1-CD2 4.06Å; V72-F93 HydrophobicContact CG1-CE1 3.88Å; V72-F93 HydrophobicContact CG1-CE2 3.89Å; V72-F93 HydrophobicContact CG1-CG 4.14Å; V72-F93 HydrophobicContact CG1-CZ 3.79Å; V72-F93 HydrophobicContact CG2-CD1 4.07Å; V72-F93 HydrophobicContact CG2-CE1 4.17Å; F93-H101 HydrophobicContact CE2-CB 4.49Å; F93-I103 HydrophobicContact CE1-CD1 3.78Å; F93-I103 HydrophobicContact CE1-CG1 4.05Å; F93-I103 HydrophobicContact CZ-CD1 3.98Å; F93-I103 HydrophobicContact CZ-CG1 4.16Å
94T93.6Very high92.8Very high68 Ų6850.6 Ų50.642%0.41727%0.27SS..EExtended strand (participates in β ladder)trans-122.1132.8175.4-56.30000108T42 M80T42-T94 WeakPolarHBondContact O-CA 3.18Å; M80-T94 WeakPolarHBondContact CE-O 3.4Å
95S93.2Very high93Very high2 Ų246 Ų461%0.01425%0.247CC..  trans-67.5132177.464.60000110.7P39 Q41 T42 H101P39-S95 WeakPolarHBondContact O-CB 3.44Å; P39-S95 PolarHBondContact O-OG 2.94Å; Q41-S95 VanDerWaalsContact CA-O 3.27Å; Q41-S95 WeakPolarHBondContact CA-O 3.48Å; Q41-S95 PolarHBondContact N-O 3.35Å; Q41-S95 PolarHBondContact N-OG 3.29Å; T42-S95 PolarHBondContact N-OG 3Å; T42-S95 PolarHBondContact O-N 2.91Å; T42-S95 PolarHBondContact O-OG 2.92Å; S95-H101 WeakPolarHBondContact CB-NE2 3.34Å
96S92Very high93Very high90 Ų9046 Ų4663%0.62925%0.248SC*.SBendtrans-93.5-29.2173.2-630000112.1
97K90.9Very high92.8Very high93 Ų9342.4 Ų42.440%0.40423%0.226SC..SBendtrans-125.7147.7-179.3-72.5178.2176.6168.80109.5D76 H101D76-K97 WeakPolarHBondContact OD2-CD 3.3Å; D76-K97 WeakPolarHBondContact OD2-CE 3.47Å; D76-K97 IonicContact OD2-NZ 2.54Å; D76-K97 PolarHBondContact OD2-NZ 2.92Å; K97-H101 PolarHBondContact O-CE1 2.98Å
98P93Very high92.4Very high43 Ų4345.3 Ų45.328%0.27924%0.242SC..SBendtrans-74.6140.3172.730.3-31.4000110.6I38 D40 Y165 Y168I38-P98 WeakPolarHBondContact O-CA 3.41Å; D40-P98 HydrophobicContact CB-CB 4.35Å; P98-Y165 HydrophobicContact CB-CD2 3.54Å; P98-Y165 HydrophobicContact CB-CE2 3.69Å; P98-Y168 HydrophobicContact CG-CD1 4.48Å; P98-Y168 HydrophobicContact CG-CE1 4.46Å
99G92.6Very high91.3Very high8 Ų842.4 Ų42.48%0.08223%0.233CC..EExtended strand (participates in β ladder)trans137.1-161.5173.800000114.6I38 H101I38-G99 PolarHBondContact N-O 2.79Å; I38-G99 PolarHBondContact O-N 2.89Å; G99-H101 PolarHBondContact O-N 2.9Å; G99-H101 PolarHBondContact O-ND1 3.43Å
100E94.8Very high89.8Confident117 Ų11748.1 Ų48.155%0.54726%0.264SS..EExtended strand (participates in β ladder)trans-70.3116.6-179.1-68.2-175.3-175.500111.8V35 P75V35-E100 HydrophobicContact CG1-CB 3.86Å; V35-E100 HydrophobicContact CG1-CG 3.92Å; P75-E100 WeakPolarHBondContact CA-O 3.43Å; P75-E100 VanDerWaalsContact CG-O 3.32Å; P75-E100 WeakPolarHBondContact CG-O 3.48Å
101H96.2Very high88.1Confident0 Ų049.8 Ų49.80%027%0.27CS..EExtended strand (participates in β ladder)trans-106.7136.7167.7-61.666000108.9E36 I38 T73 F93 S95 K97 G99E36-H101 PolarHBondContact N-O 3.27Å; E36-H101 PolarHBondContact O-N 3.39Å; I38-H101 HydrophobicContact CD1-CB 3.76Å; T73-H101 WeakPolarHBondContact O-CA 3.49Å; F93-H101 HydrophobicContact CE2-CB 4.49Å; S95-H101 WeakPolarHBondContact CB-NE2 3.34Å; K97-H101 PolarHBondContact O-CE1 2.98Å; G99-H101 PolarHBondContact O-N 2.9Å; G99-H101 PolarHBondContact O-ND1 3.43Å
102V96.8Very high86.1Confident33 Ų3360.2 Ų60.220%0.231%0.309CS..EExtended strand (participates in β ladder)trans-110.2120.8-177.2-168.70000109.4C33 F34 V35 V72 T73C33-V102 HydrophobicContact CB-CG1 3.68Å; F34-V102 WeakPolarHBondContact O-CA 3.41Å; V35-V102 HydrophobicContact CG1-CG2 4.48Å; V35-V102 HydrophobicContact CG2-CG1 4.26Å; V35-V102 HydrophobicContact CG2-CG2 4.13Å; V72-V102 VanDerWaalsContact CA-O 3.31Å; V72-V102 WeakPolarHBondContact CA-O 3.15Å; T73-V102 PolarHBondContact N-O 2.81Å; T73-V102 PolarHBondContact O-N 3.23Å; T73-V102 WeakPolarHBondContact OG1-CB 3.09Å
103I96Very high84.1Confident4 Ų460.9 Ų60.92%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-105.8109.2176.4-52.5166.3000108.3C33 F34 V70 E71 V72 F93 L105 F122 V124C33-I103 CarbonylContact C-O 3.59Å; C33-I103 WeakPolarHBondContact CA-O 3.32Å; F34-I103 PolarHBondContact N-O 3.03Å; F34-I103 PolarHBondContact O-N 3Å; V70-I103 HydrophobicContact CG1-CG2 4.02Å; E71-I103 CarbonylContact O-C 3.58Å; E71-I103 WeakPolarHBondContact O-CA 3.35Å; V72-I103 HydrophobicContact CG1-CG1 4.36Å; V72-I103 HydrophobicContact CG2-CG1 4.32Å; V72-I103 HydrophobicContact CG2-CG2 4.27Å; F93-I103 HydrophobicContact CE1-CD1 3.78Å; F93-I103 HydrophobicContact CE1-CG1 4.05Å; F93-I103 HydrophobicContact CZ-CD1 3.98Å; F93-I103 HydrophobicContact CZ-CG1 4.16Å; I103-L105 HydrophobicContact CG2-CD1 4.41Å; I103-F122 HydrophobicContact CB-CZ 4.37Å; I103-F122 HydrophobicContact CD1-CZ 4.21Å; I103-F122 HydrophobicContact CG2-CE1 4.36Å; I103-F122 HydrophobicContact CG2-CZ 3.77Å; I103-V124 HydrophobicContact CD1-CG1 4.45Å; I103-V124 HydrophobicContact CD1-CG2 4.38Å
104C95.2Very high82.5Confident6 Ų663.9 Ų63.94%0.04134%0.336CS..EExtended strand (participates in β ladder)trans-104.1132.8179.7-64.20000111.4K32 C33 V70 E71K32-C104 CarbonylContact O-C 3.54Å; K32-C104 WeakPolarHBondContact O-CA 3.28Å; C33-C104 HydrophobicContact CB-CB 4.16Å; C33-C104 WeakPolarHBondContact CB-SG 3.4Å; C33-C104 WeakPolarHBondContact SG-CB 3.47Å; C33-C104 CovalentContact SG-SG 2.05Å; C33-C104 PolarHBondContact SG-SG 2.99Å; V70-C104 WeakPolarHBondContact CA-O 3.39Å; E71-C104 HydrophobicContact CB-CB 4.46Å; E71-C104 PolarHBondContact N-O 2.78Å; E71-C104 PolarHBondContact O-N 2.85Å
105L94Very high81Confident0 Ų063.7 Ų63.70%035%0.347CS..EExtended strand (participates in β ladder)trans-115.6130172.1-60.898.6000109.8I26 K32 F34 Y48 M68 H69 V70 I103 V120 F122I26-L105 HydrophobicContact CD1-CB 4.37Å; K32-L105 PolarHBondContact N-O 3.11Å; K32-L105 PolarHBondContact O-N 2.92Å; F34-L105 HydrophobicContact CD2-CD1 3.81Å; F34-L105 HydrophobicContact CE2-CD1 3.73Å; Y48-L105 HydrophobicContact CD1-CD2 4.22Å; Y48-L105 HydrophobicContact CD2-CD2 4.29Å; Y48-L105 HydrophobicContact CG-CD2 3.85Å; M68-L105 HydrophobicContact CG-CB 4.44Å; M68-L105 HydrophobicContact CG-CD2 4.26Å; M68-L105 HydrophobicContact SD-CB 4.03Å; H69-L105 WeakPolarHBondContact O-CA 3.2Å; V70-L105 HydrophobicContact CG2-CD2 4.08Å; V70-L105 HydrophobicContact CG2-CG 4.2Å; I103-L105 HydrophobicContact CG2-CD1 4.41Å; L105-V120 HydrophobicContact CD2-CG1 4.37Å; L105-F122 HydrophobicContact CD1-CD1 4.15Å; L105-F122 HydrophobicContact CD1-CD2 4.29Å; L105-F122 HydrophobicContact CD1-CE1 4.1Å; L105-F122 HydrophobicContact CD1-CE2 4.25Å; L105-F122 HydrophobicContact CD1-CG 4.23Å; L105-F122 HydrophobicContact CD1-CZ 4.15Å; L105-F122 HydrophobicContact CD2-CD2 4.34Å
106F91.1Very high80.1Confident51 Ų5165 Ų6522%0.22436%0.355CS..EExtended strand (participates in β ladder)trans-151.2149.817656.6-86.1000112.6R31 M68 H69 E71R31-F106 HydrophobicContact CB-CB 3.63Å; R31-F106 HydrophobicContact CB-CD1 4.05Å; R31-F106 HydrophobicContact CB-CG 4.14Å; M68-F106 PolarHBondContact SD-N 3.31Å; H69-F106 WeakPolarHBondContact CA-O 3.47Å; H69-F106 HydrophobicContact CB-CD2 3.88Å; H69-F106 HydrophobicContact CB-CE1 4.31Å; H69-F106 HydrophobicContact CB-CE2 3.65Å; H69-F106 HydrophobicContact CB-CG 4.32Å; H69-F106 HydrophobicContact CB-CZ 3.9Å; H69-F106 WeakPolarHBondContact CB-O 3.23Å; H69-F106 AromaticContact CD2-CE1 3.39Å; H69-F106 WeakPolarHBondContact CD2-CE1 3.3Å; H69-F106 AromaticContact CD2-CE2 3.69Å; H69-F106 AromaticContact CD2-CZ 3.02Å; H69-F106 WeakPolarHBondContact CD2-CZ 3.4Å; H69-F106 AromaticContact CG-CE2 3.69Å; H69-F106 AromaticContact CG-CZ 3.55Å; H69-F106 PolarHBondContact N-O 2.89Å; H69-F106 AromaticContact NE2-CZ 3.77Å; H69-F106 PolarHBondContact O-N 3.33Å; E71-F106 HydrophobicContact CB-CE1 4.18Å
107S86.8Confident79.6Confident13 Ų1365.7 Ų65.79%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-71.7137.2176.8-176.30000110.5S109S107-S109 PolarHBondContact OG-N 2.81Å
108N78.7Confident79.5Confident89 Ų8961.4 Ų61.448%0.47633%0.331SS..  trans-86.5-11.8171-172.6-86.7000112.3G67 L84 T110G67-N108 PolarHBondContact O-N 2.93Å; L84-N108 HydrophobicContact CD1-CB 3.62Å; N108-T110 PolarHBondContact O-N 3.42Å
109S67.9Low79.3Confident40 Ų4062 Ų6228%0.2833%0.328SS..  trans-65111.5-172.1-173.60000111.6S107 R111S107-S109 PolarHBondContact OG-N 2.81Å; S109-R111 VanDerWaalsContact C-N 3.26Å; S109-R111 PolarHBondContact OG-N 3.18Å; S109-R111 PolarHBondContact OG-O 2.86Å
110T60Low79.3Confident141 Ų14161.7 Ų61.787%0.86532%0.324SS*.  trans-76.4-13.8165.132.90000112.7N108 W112N108-T110 PolarHBondContact O-N 3.42Å; T110-W112 PolarHBondContact O-N 2.87Å
111R56.6Low79.2Confident167 Ų16758.6 Ų58.663%0.6331%0.311SS*.SBendtrans-68.2106.5171.7-72.7-174.6-75.9157.4-4.3106.9S109 V113S109-R111 VanDerWaalsContact C-N 3.26Å; S109-R111 PolarHBondContact OG-N 3.18Å; S109-R111 PolarHBondContact OG-O 2.86Å; R111-V113 HydrophobicContact CB-CG2 3.64Å; R111-V113 PolarHBondContact O-N 3.1Å
112W50.5Low79Confident223 Ų22359.9 Ų59.985%0.84532%0.317SS*.  trans-58.567.5162.7-173.2-79.8000109T110 S114T110-W112 PolarHBondContact O-N 2.87Å; W112-S114 PolarHBondContact O-N 3.1Å
113V52.8Low78.8Confident74 Ų7462.3 Ų62.345%0.44833%0.329SS..  trans-82.473175.3-169.90000106.5E28 R111 G115 T116E28-V113 VanDerWaalsContact OE1-O 3.06Å; R111-V113 HydrophobicContact CB-CG2 3.64Å; R111-V113 PolarHBondContact O-N 3.1Å; V113-G115 PolarHBondContact O-N 3.07Å; V113-T116 VanDerWaalsContact O-CG2 3.23Å; V113-T116 WeakPolarHBondContact O-CG2 3.45Å; V113-T116 PolarHBondContact O-OG1 2.96Å
114S59.4Low78.7Confident80 Ų8064.2 Ų64.256%0.55934%0.34SS*.THydrogen-bonded Turntrans51.258.5160.664.30000115.8W112 T116W112-S114 PolarHBondContact O-N 3.1Å; S114-T116 PolarHBondContact O-N 2.84Å
115G63.5Low78.6Confident63 Ų6366.9 Ų66.965%0.64935%0.352SS*.THydrogen-bonded Turntrans52.933.7164.700000114E28 V113 M117E28-G115 PolarHBondContact OE1-N 2.83Å; V113-G115 PolarHBondContact O-N 3.07Å; G115-M117 PolarHBondContact O-N 2.8Å
116T73.5Confident78.4Confident29 Ų2968.2 Ų68.218%0.17836%0.36CS..PPolyproline II helixtrans-74.7123.4-174.952.40000109.2E28 V113 S114 L118E28-T116 PolarHBondContact OE1-N 2.79Å; E28-T116 PolarHBondContact OE1-OG1 2.82Å; V113-T116 VanDerWaalsContact O-CG2 3.23Å; V113-T116 WeakPolarHBondContact O-CG2 3.45Å; V113-T116 PolarHBondContact O-OG1 2.96Å; S114-T116 PolarHBondContact O-N 2.84Å; T116-L118 PolarHBondContact O-N 3.44Å
117M82.5Confident78.2Confident106 Ų10666.2 Ų66.252%0.52236%0.355SS..PPolyproline II helixtrans-76.5125.3173.7-71-172.7175.500109.6L25 Y53 G115L25-M117 HydrophobicContact CD1-SD 4.21Å; Y53-M117 PolarHBondContact N-O 3.16Å; G115-M117 PolarHBondContact O-N 2.8Å
118L88.3Confident78.1Confident2 Ų266.3 Ų66.31%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-88.9125.2173.7-59.1179.4000109.2L25 I26 V50 A52 L66 M68 T116L25-L118 CarbonylContact C-O 3.58Å; L25-L118 VanDerWaalsContact CA-O 3.3Å; L25-L118 WeakPolarHBondContact CA-O 3.4Å; I26-L118 HydrophobicContact CB-CB 4.4Å; I26-L118 PolarHBondContact N-O 2.89Å; I26-L118 WeakPolarHBondContact O-CB 3.23Å; I26-L118 PolarHBondContact O-N 3.05Å; V50-L118 HydrophobicContact CG1-CB 4.05Å; V50-L118 HydrophobicContact CG1-CD1 4.36Å; V50-L118 HydrophobicContact CG1-CD2 4.27Å; V50-L118 HydrophobicContact CG1-CG 4.46Å; A52-L118 HydrophobicContact CB-CD2 3.66Å; L66-L118 HydrophobicContact CD1-CD1 4.25Å; L66-L118 HydrophobicContact CD1-CD2 4.31Å; L66-L118 HydrophobicContact CD2-CD1 4.08Å; L66-L118 HydrophobicContact CD2-CD2 3.56Å; L66-L118 HydrophobicContact CD2-CG 4.43Å; M68-L118 HydrophobicContact CE-CD1 4.23Å; T116-L118 PolarHBondContact O-N 3.44Å
119R89.1Confident78.2Confident57 Ų5768.6 Ų68.622%0.21536%0.361CS..EExtended strand (participates in β ladder)trans-87.2122.1165.7178.9178.8-70167.2-4.6108.5Y23 F24 L25 V50 S51 Y60Y23-R119 HydrophobicContact CD2-CG 3.67Å; Y23-R119 HydrophobicContact CE2-CG 4.49Å; Y23-R119 HydrophobicContact CG-CG 3.81Å; F24-R119 CarbonylContact O-C 3.55Å; F24-R119 WeakPolarHBondContact O-CA 2.85Å; L25-R119 HydrophobicContact CD2-CB 4.23Å; V50-R119 CarbonylContact C-O 3.59Å; V50-R119 WeakPolarHBondContact CA-O 3.36Å; S51-R119 PolarHBondContact N-O 2.91Å; S51-R119 PolarHBondContact O-N 3.45Å; Y60-R119 HydrophobicContact CD1-CB 3.68Å; Y60-R119 VanDerWaalsContact CD2-CZ 3.4Å; Y60-R119 HydrophobicContact CE1-CB 3.77Å; Y60-R119 VanDerWaalsContact CE2-CZ 3.48Å; Y60-R119 HydrophobicContact CG-CB 4.46Å
120V91.4Very high78.7Confident1 Ų167 Ų671%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-115.1117176.7-177.30000109.2F24 I26 K49 V50 M68 L105 F122F24-V120 PolarHBondContact N-O 2.89Å; F24-V120 PolarHBondContact O-N 3.36Å; I26-V120 HydrophobicContact CB-CG2 4.37Å; I26-V120 HydrophobicContact CD1-CB 4.11Å; I26-V120 HydrophobicContact CD1-CG2 3.55Å; I26-V120 HydrophobicContact CG1-CB 4.31Å; I26-V120 HydrophobicContact CG1-CG2 3.73Å; K49-V120 WeakPolarHBondContact O-CA 3.44Å; V50-V120 HydrophobicContact CG1-CG2 4.09Å; V50-V120 HydrophobicContact CG2-CG2 4.17Å; M68-V120 HydrophobicContact CE-CG2 4.04Å; L105-V120 HydrophobicContact CD2-CG1 4.37Å; V120-F122 HydrophobicContact CG1-CB 4.41Å
121D92.4Very high79.6Confident52 Ų5263.6 Ų63.628%0.27833%0.325SS..EExtended strand (participates in β ladder)trans-91.2117166.3-57.6-78.1000107Y23 Y48 K49Y23-D121 WeakPolarHBondContact CB-OD1 3.45Å; Y48-D121 CarbonylContact C-O 3.56Å; Y48-D121 WeakPolarHBondContact CA-O 3.34Å; K49-D121 HydrophobicContact CB-CB 4.33Å; K49-D121 PolarHBondContact N-O 3.35Å; K49-D121 PolarHBondContact O-N 3.18Å
122F93.4Very high80.8Confident26 Ų2658.7 Ų58.711%0.11431%0.311CS..EExtended strand (participates in β ladder)trans-125.4126.6-178.2-175.6-129.7000110.5F34 N47 I103 L105 V120 V124F34-F122 HydrophobicContact CB-CE1 4.1Å; F34-F122 HydrophobicContact CD1-CD1 4.23Å; F34-F122 AromaticContact CD2-CD1 3.47Å; F34-F122 HydrophobicContact CD2-CD1 3.47Å; F34-F122 VanDerWaalsContact CD2-CD1 3.47Å; F34-F122 AromaticContact CD2-CE1 3.55Å; F34-F122 HydrophobicContact CD2-CE1 3.55Å; F34-F122 HydrophobicContact CE1-CD1 4.31Å; F34-F122 AromaticContact CE2-CD1 3.57Å; F34-F122 HydrophobicContact CE2-CD1 3.57Å; F34-F122 HydrophobicContact CE2-CE1 4.12Å; F34-F122 HydrophobicContact CE2-CG 4.33Å; F34-F122 AromaticContact CG-CD1 3.83Å; F34-F122 HydrophobicContact CG-CD1 3.83Å; F34-F122 AromaticContact CG-CE1 3.81Å; F34-F122 HydrophobicContact CG-CE1 3.81Å; F34-F122 AromaticContact CZ-CD1 4Å; F34-F122 HydrophobicContact CZ-CD1 4Å; N47-F122 WeakPolarHBondContact O-CD2 3.41Å; I103-F122 HydrophobicContact CB-CZ 4.37Å; I103-F122 HydrophobicContact CD1-CZ 4.21Å; I103-F122 HydrophobicContact CG2-CE1 4.36Å; I103-F122 HydrophobicContact CG2-CZ 3.77Å; L105-F122 HydrophobicContact CD1-CD1 4.15Å; L105-F122 HydrophobicContact CD1-CD2 4.29Å; L105-F122 HydrophobicContact CD1-CE1 4.1Å; L105-F122 HydrophobicContact CD1-CE2 4.25Å; L105-F122 HydrophobicContact CD1-CG 4.23Å; L105-F122 HydrophobicContact CD1-CZ 4.15Å; L105-F122 HydrophobicContact CD2-CD2 4.34Å; V120-F122 HydrophobicContact CG1-CB 4.41Å; F122-V124 HydrophobicContact CD1-CG2 3.85Å; F122-V124 HydrophobicContact CE1-CG2 3.14Å; F122-V124 HydrophobicContact CE2-CG2 4.09Å; F122-V124 HydrophobicContact CZ-CG2 3.3Å
123N92.7Very high82.3Confident84 Ų8449.2 Ų49.245%0.44928%0.276SS..EExtended strand (participates in β ladder)trans-126.5118.5-179.8179.7-81.7000109.1G46 N47 Q125G46-N123 CarbonylContact C-O 3.52Å; G46-N123 WeakPolarHBondContact CA-O 3.43Å; N47-N123 PolarHBondContact N-O 3.23Å; N47-N123 PolarHBondContact O-N 2.89Å; N123-Q125 WeakPolarHBondContact OD1-CG 3.39Å; N123-Q125 PolarHBondContact OD1-NE2 3.5Å
124V92.7Very high83.7Confident44 Ų4449 Ų4927%0.26728%0.282SS..EExtended strand (participates in β ladder)trans-103.8132.1177.6-175.60000109V44 I103 F122 V126V44-V124 HydrophobicContact CG1-CG1 3.61Å; I103-V124 HydrophobicContact CD1-CG1 4.45Å; I103-V124 HydrophobicContact CD1-CG2 4.38Å; F122-V124 HydrophobicContact CD1-CG2 3.85Å; F122-V124 HydrophobicContact CE1-CG2 3.14Å; F122-V124 HydrophobicContact CE2-CG2 4.09Å; F122-V124 HydrophobicContact CZ-CG2 3.3Å; V124-V126 HydrophobicContact CG1-CG2 4.08Å
125Q92.5Very high84.8Confident63 Ų6351.1 Ų51.129%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-122.4129.8174.9-68.2166.430.100108.4V44 I45 N123 H129 A130V44-Q125 CarbonylContact C-O 3.57Å; V44-Q125 WeakPolarHBondContact CA-O 3.42Å; I45-Q125 PolarHBondContact N-O 2.93Å; I45-Q125 PolarHBondContact O-N 2.77Å; N123-Q125 WeakPolarHBondContact OD1-CG 3.39Å; N123-Q125 PolarHBondContact OD1-NE2 3.5Å; Q125-H129 HydrophobicContact CB-CB 4.36Å; Q125-H129 PolarHBondContact OE1-O 2.83Å; Q125-A130 HydrophobicContact CB-CB 4.34Å
126V91.3Very high85.6Confident27 Ų2749.8 Ų49.816%0.16426%0.258CS..EExtended strand (participates in β ladder)trans-120.7137.8-175.5-177.90000109E36 I38 T42 V44 V124 D128 H129E36-V126 HydrophobicContact CG-CG2 4.24Å; I38-V126 HydrophobicContact CG2-CG1 4.19Å; T42-V126 HydrophobicContact CG2-CG1 3.73Å; V44-V126 HydrophobicContact CG1-CG2 4.24Å; V44-V126 HydrophobicContact CG2-CB 4.31Å; V44-V126 HydrophobicContact CG2-CG1 4.01Å; V44-V126 HydrophobicContact CG2-CG2 3.94Å; V124-V126 HydrophobicContact CG1-CG2 4.08Å; V126-D128 PolarHBondContact O-N 3.15Å; V126-H129 PolarHBondContact O-N 2.91Å
127G87.3Confident85.9Confident10 Ų1049.4 Ų49.410%0.10326%0.258CS..G310 helixtrans66.7-126.1170.400000114M43 H129 A130M43-G127 PolarHBondContact O-N 2.97Å; G127-H129 PolarHBondContact O-N 3.05Å; G127-A130 WeakPolarHBondContact O-CB 3.21Å; G127-A130 PolarHBondContact O-N 3.45Å
128D82.7Confident86Confident15 Ų1550 Ų508%0.0827%0.267CS..G310 helixtrans-53.4-41.9177.9-178.345.2000111.6V126 A130 Q131 Y133 Q155V126-D128 PolarHBondContact O-N 3.15Å; D128-A130 PolarHBondContact O-N 2.94Å; D128-Q131 PolarHBondContact O-N 2.97Å; D128-Y133 WeakPolarHBondContact OD1-CE2 3.37Å; D128-Y133 VanDerWaalsContact OD1-CZ 3.28Å; D128-Y133 PolarHBondContact OD1-OH 2.83Å; D128-Q155 HydrophobicContact CB-CG 4.34Å; D128-Q155 WeakPolarHBondContact OD2-CG 3.05Å; D128-Q155 PolarHBondContact OD2-NE2 2.92Å
129H81.5Confident85.8Confident136 Ų13658.5 Ų58.563%0.6330%0.304SS*.G310 helixtrans-67.3-19.6178.8-63.1-44.4000113.8Q125 V126 G127Q125-H129 HydrophobicContact CB-CB 4.36Å; Q125-H129 PolarHBondContact OE1-O 2.83Å; V126-H129 PolarHBondContact O-N 2.91Å; G127-H129 PolarHBondContact O-N 3.05Å
130A78.3Confident85.7Confident8 Ų861.1 Ų61.17%0.06632%0.319CS..G310 helixtrans-81.6-16.4174.200000112.6I45 Q125 G127 D128I45-A130 HydrophobicContact CB-CB 4.33Å; I45-A130 HydrophobicContact CD1-CB 3.87Å; I45-A130 WeakPolarHBondContact CD1-O 3.33Å; I45-A130 HydrophobicContact CG1-CB 3.86Å; Q125-A130 HydrophobicContact CB-CB 4.34Å; G127-A130 WeakPolarHBondContact O-CB 3.21Å; G127-A130 PolarHBondContact O-N 3.45Å; D128-A130 PolarHBondContact O-N 2.94Å
131Q80.3Confident85.4Confident69 Ų6971.6 Ų71.632%0.32236%0.358SS..  trans-84.5126.5-177.4-67.5-165.757.500112.3D128 Y133 I136D128-Q131 PolarHBondContact O-N 2.97Å; Q131-Y133 HydrophobicContact CB-CE2 4Å; Q131-Y133 PolarHBondContact O-N 2.91Å; Q131-I136 HydrophobicContact CB-CD1 4.46Å
132D81.6Confident85Confident63 Ų6370.9 Ų70.934%0.33735%0.354SS..  trans-87.783.5176-168.7-22.7000110.2A134 K135 I136D132-A134 PolarHBondContact O-N 2.85Å; D132-A134 PolarHBondContact OD1-N 3.26Å; D132-K135 HydrophobicContact CB-CB 4.33Å; D132-K135 HydrophobicContact CB-CD 4.19Å; D132-K135 HydrophobicContact CB-CG 4.39Å; D132-K135 PolarHBondContact O-N 3.22Å; D132-K135 VanDerWaalsContact O-N 3.07Å; D132-K135 PolarHBondContact OD1-N 3.32Å; D132-K135 WeakPolarHBondContact OD2-CD 3.19Å; D132-K135 WeakPolarHBondContact OD2-CE 3.42Å; D132-K135 IonicContact OD2-NZ 3.35Å; D132-K135 PolarHBondContact OD2-NZ 3.46Å; D132-I136 PolarHBondContact O-N 3.44Å; D132-I136 VanDerWaalsContact O-N 3.16Å
133Y81.8Confident84.8Confident25 Ų2575.1 Ų75.110%0.09838%0.378CS..Hα-helixtrans-55.3-31.2-179-77.4-69.6000114.1D128 Q131 I136 A137 L147 Q151 D154D128-Y133 WeakPolarHBondContact OD1-CE2 3.37Å; D128-Y133 VanDerWaalsContact OD1-CZ 3.28Å; D128-Y133 PolarHBondContact OD1-OH 2.83Å; Q131-Y133 HydrophobicContact CB-CE2 4Å; Q131-Y133 PolarHBondContact O-N 2.91Å; Y133-I136 PolarHBondContact O-N 3.26Å; Y133-A137 WeakPolarHBondContact O-CB 3.35Å; Y133-A137 PolarHBondContact O-N 3.37Å; Y133-L147 HydrophobicContact CD1-CD1 4Å; Y133-Q151 HydrophobicContact CD1-CG 3.41Å; Y133-Q151 VanDerWaalsContact CD1-CG 3.41Å; Y133-Q151 HydrophobicContact CD2-CG 3.91Å; Y133-Q151 HydrophobicContact CE1-CB 4.3Å; Y133-Q151 HydrophobicContact CE1-CG 3.44Å; Y133-Q151 VanDerWaalsContact CE1-CG 3.44Å; Y133-Q151 HydrophobicContact CE2-CG 3.92Å; Y133-Q151 HydrophobicContact CG-CG 3.67Å; Y133-Q151 VanDerWaalsContact CG-NE2 3.29Å; Y133-D154 WeakPolarHBondContact CE1-OD2 3.49Å; Y133-D154 WeakPolarHBondContact OH-CB 3.08Å; Y133-D154 PolarHBondContact OH-OD2 3.35Å
134A81.7Confident84.7Confident69 Ų6977.4 Ų77.457%0.5739%0.39SS*.Hα-helixtrans-66.6-41177.700000111.4D132 V138D132-A134 PolarHBondContact O-N 2.85Å; D132-A134 PolarHBondContact OD1-N 3.26Å; A134-V138 WeakPolarHBondContact O-CG2 3.34Å; A134-V138 PolarHBondContact O-N 2.94Å
135K82.7Confident84.6Confident124 Ų12481.2 Ų81.254%0.53941%0.409SS..Hα-helixtrans-67.9-38.7174.5-72.1179.8-173142.50112.4D132 V138 K139D132-K135 HydrophobicContact CB-CB 4.33Å; D132-K135 HydrophobicContact CB-CD 4.19Å; D132-K135 HydrophobicContact CB-CG 4.39Å; D132-K135 PolarHBondContact O-N 3.22Å; D132-K135 VanDerWaalsContact O-N 3.07Å; D132-K135 PolarHBondContact OD1-N 3.32Å; D132-K135 WeakPolarHBondContact OD2-CD 3.19Å; D132-K135 WeakPolarHBondContact OD2-CE 3.42Å; D132-K135 IonicContact OD2-NZ 3.35Å; D132-K135 PolarHBondContact OD2-NZ 3.46Å; K135-V138 PolarHBondContact O-N 2.94Å; K135-K139 WeakPolarHBondContact O-CB 3.45Å; K135-K139 PolarHBondContact O-N 3.41Å
136I80.4Confident84.5Confident36 Ų3683.1 Ų83.119%0.18542%0.417CS..Hα-helixtrans-64.2-45.2177.5-63.1169000110.1Q131 D132 Y133 V138 K139 E140 L142Q131-I136 HydrophobicContact CB-CD1 4.46Å; D132-I136 PolarHBondContact O-N 3.44Å; D132-I136 VanDerWaalsContact O-N 3.16Å; Y133-I136 PolarHBondContact O-N 3.26Å; I136-V138 VanDerWaalsContact C-N 3.33Å; I136-V138 PolarHBondContact O-N 3.39Å; I136-K139 PolarHBondContact O-N 3.36Å; I136-E140 HydrophobicContact CG2-CG 4.48Å; I136-E140 WeakPolarHBondContact O-CB 3.44Å; I136-E140 PolarHBondContact O-N 3.03Å; I136-L142 HydrophobicContact CG2-CD1 4.31Å
137A80.2Confident84.4Confident20 Ų2083.2 Ų83.217%0.16542%0.417CS..Hα-helixtrans-56.6-43.8178.200000112.8Y133 R141 L142 L147Y133-A137 WeakPolarHBondContact O-CB 3.35Å; Y133-A137 PolarHBondContact O-N 3.37Å; A137-R141 WeakPolarHBondContact O-CA 3.48Å; A137-R141 PolarHBondContact O-N 2.9Å; A137-L142 PolarHBondContact O-N 3.06Å; A137-L142 VanDerWaalsContact O-N 3.11Å; A137-L147 HydrophobicContact CB-CD1 4Å; A137-L147 HydrophobicContact CB-CD2 3.98Å
138V84.1Confident84.6Confident119 Ų11990.8 Ų90.872%0.72144%0.442SS*.Hα-helixtrans-69.2-42.3177.6176.20000111.6A134 K135 I136A134-V138 WeakPolarHBondContact O-CG2 3.34Å; A134-V138 PolarHBondContact O-N 2.94Å; K135-V138 PolarHBondContact O-N 2.94Å; I136-V138 VanDerWaalsContact C-N 3.33Å; I136-V138 PolarHBondContact O-N 3.39Å
139K84.6Confident85.1Confident181 Ų18194.3 Ų94.379%0.78746%0.46SS*.Hα-helixtrans-66.5-44.5-178.2-176.2-177.5176.1-170.50112.2K135 I136K135-K139 WeakPolarHBondContact O-CB 3.45Å; K135-K139 PolarHBondContact O-N 3.41Å; I136-K139 PolarHBondContact O-N 3.36Å
140E85.1Confident85.5Confident112 Ų11292.6 Ų92.652%0.52345%0.448SS..Hα-helixtrans-93.1-2.9-177.5-69.5-178.2-171.400113.2I136 L142I136-E140 HydrophobicContact CG2-CG 4.48Å; I136-E140 WeakPolarHBondContact O-CB 3.44Å; I136-E140 PolarHBondContact O-N 3.03Å; E140-L142 VanDerWaalsContact C-N 3.25Å; E140-L142 HydrophobicContact CB-CD1 4.19Å; E140-L142 HydrophobicContact CB-CD2 3.99Å; E140-L142 HydrophobicContact CB-CG 3.72Å; E140-L142 PolarHBondContact O-N 2.9Å
141R86.6Confident86Confident221 Ų22195 Ų9583%0.83446%0.458SS*.THydrogen-bonded Turntrans5244.2-177.1-57.9-176.7176.5-179.6-1112.3A137A137-R141 WeakPolarHBondContact O-CA 3.48Å; A137-R141 PolarHBondContact O-N 2.9Å
142L82.9Confident86.6Confident37 Ų3796.8 Ų96.819%0.19447%0.469CS..  trans-74.4138.1-178.3-60.5175000110.6I136 A137 E140 Q146 L147I136-L142 HydrophobicContact CG2-CD1 4.31Å; A137-L142 PolarHBondContact O-N 3.06Å; A137-L142 VanDerWaalsContact O-N 3.11Å; E140-L142 VanDerWaalsContact C-N 3.25Å; E140-L142 HydrophobicContact CB-CD1 4.19Å; E140-L142 HydrophobicContact CB-CD2 3.99Å; E140-L142 HydrophobicContact CB-CG 3.72Å; E140-L142 PolarHBondContact O-N 2.9Å; L142-Q146 HydrophobicContact CB-CB 4.27Å; L142-Q146 HydrophobicContact CD2-CB 4.3Å; L142-L147 HydrophobicContact CD1-CD1 4.32Å
143N90.6Very high87.2Confident115 Ų11598.1 Ų98.162%0.61548%0.476SS*.  trans-68.3156.7165.5-80.3-18.8000110.9L145 Q146 L147N143-L145 PolarHBondContact O-N 3.04Å; N143-L145 VanDerWaalsContact O-N 3.09Å; N143-Q146 HydrophobicContact CB-CG 4.4Å; N143-Q146 WeakPolarHBondContact O-CA 3.46Å; N143-Q146 WeakPolarHBondContact O-CB 3.49Å; N143-Q146 PolarHBondContact O-N 2.72Å; N143-L147 PolarHBondContact O-N 2.63Å
144D89.6Confident87.6Confident132 Ų13297.6 Ų97.671%0.70647%0.474SS*.Hα-helixtrans-51.6-38179.6-70.2-15.6000113.4R148D144-R148 WeakPolarHBondContact O-CG 3.21Å; D144-R148 PolarHBondContact O-N 3.3Å
145L90.2Very high88Confident124 Ų12498.1 Ų98.165%0.64947%0.465SS*.Hα-helixtrans-70.3-42.1177.3-174.964.3000112.2N143 L147 R148 I149N143-L145 PolarHBondContact O-N 3.04Å; N143-L145 VanDerWaalsContact O-N 3.09Å; L145-L147 VanDerWaalsContact C-N 3.32Å; L145-R148 PolarHBondContact O-N 3.27Å; L145-I149 HydrophobicContact CG-CD1 4.19Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 3.45Å
146Q91.1Very high88.6Confident102 Ų10296.7 Ų96.748%0.47747%0.467SS..Hα-helixtrans-65.3-39.5178-67.9175.6-60.200110.8L142 N143 I149 R150L142-Q146 HydrophobicContact CB-CB 4.27Å; L142-Q146 HydrophobicContact CD2-CB 4.3Å; N143-Q146 HydrophobicContact CB-CG 4.4Å; N143-Q146 WeakPolarHBondContact O-CA 3.46Å; N143-Q146 WeakPolarHBondContact O-CB 3.49Å; N143-Q146 PolarHBondContact O-N 2.72Å; Q146-I149 PolarHBondContact O-N 2.8Å; Q146-R150 WeakPolarHBondContact O-CB 3.18Å; Q146-R150 PolarHBondContact O-N 3.3Å
147L90Very high89.1Confident29 Ų2998.6 Ų98.615%0.15248%0.477CS..Hα-helixtrans-60.2-46.3175.1-177.664.2000111.7Y133 A137 L142 N143 L145 R150 Q151Y133-L147 HydrophobicContact CD1-CD1 4Å; A137-L147 HydrophobicContact CB-CD1 4Å; A137-L147 HydrophobicContact CB-CD2 3.98Å; L142-L147 HydrophobicContact CD1-CD1 4.32Å; N143-L147 PolarHBondContact O-N 2.63Å; L145-L147 VanDerWaalsContact C-N 3.32Å; L147-R150 WeakPolarHBondContact O-CB 3.48Å; L147-R150 PolarHBondContact O-N 3.07Å; L147-Q151 WeakPolarHBondContact O-CG 3.36Å; L147-Q151 PolarHBondContact O-N 3.06Å
148R90.1Very high89.6Confident169 Ų16999.2 Ų99.264%0.63848%0.477SS*.Hα-helixtrans-62.1-44.7176.8-73.3175.1-177.3-104.22.2112.2D144 L145 R150 Q151 L152D144-R148 WeakPolarHBondContact O-CG 3.21Å; D144-R148 PolarHBondContact O-N 3.3Å; L145-R148 PolarHBondContact O-N 3.27Å; R148-R150 VanDerWaalsContact C-N 3.27Å; R148-R150 PolarHBondContact O-N 2.99Å; R148-Q151 WeakPolarHBondContact O-CB 3.44Å; R148-Q151 PolarHBondContact O-N 3.49Å; R148-L152 WeakPolarHBondContact O-CD1 3.27Å; R148-L152 PolarHBondContact O-N 3.01Å
149I93.3Very high90Very high90 Ų9098.8 Ų98.846%0.46247%0.468SS..Hα-helixtrans-60.2-41.8176.4-68.5167.3000110.3L145 Q146 L152 I153L145-I149 HydrophobicContact CG-CD1 4.19Å; L145-I149 WeakPolarHBondContact O-CG1 3.31Å; L145-I149 PolarHBondContact O-N 3.45Å; Q146-I149 PolarHBondContact O-N 2.8Å; I149-L152 PolarHBondContact O-N 2.91Å; I149-I153 HydrophobicContact CG2-CD1 3.81Å; I149-I153 HydrophobicContact CG2-CG1 4.44Å; I149-I153 VanDerWaalsContact O-CG1 3.32Å; I149-I153 WeakPolarHBondContact O-CG1 3.33Å; I149-I153 PolarHBondContact O-N 2.9Å
150R89.5Confident90.5Very high100 Ų10092.7 Ų92.738%0.37745%0.448SS..Hα-helixtrans-61.1-46.9176.8-178.764.8-169.3162.98.6112Q146 L147 R148 L152 I153 D154Q146-R150 WeakPolarHBondContact O-CB 3.18Å; Q146-R150 PolarHBondContact O-N 3.3Å; L147-R150 WeakPolarHBondContact O-CB 3.48Å; L147-R150 PolarHBondContact O-N 3.07Å; R148-R150 VanDerWaalsContact C-N 3.27Å; R148-R150 PolarHBondContact O-N 2.99Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 2.86Å; R150-I153 PolarHBondContact O-N 2.83Å; R150-D154 IonicContact CZ-OD1 3.39Å; R150-D154 IonicContact CZ-OD2 3.05Å; R150-D154 IonicContact NE-OD1 3.95Å; R150-D154 PolarHBondContact NE-OD1 2.69Å; R150-D154 IonicContact NE-OD2 3.65Å; R150-D154 PolarHBondContact NE-OD2 2.83Å; R150-D154 IonicContact NH1-OD1 2.63Å; R150-D154 IonicContact NH2-OD1 2.77Å; R150-D154 PolarHBondContact NH2-OD1 2.96Å; R150-D154 IonicContact NH2-OD2 2.79Å; R150-D154 PolarHBondContact O-N 2.83Å
151Q90.4Very high90.8Very high57 Ų5789.4 Ų89.427%0.26643%0.432SS..Hα-helixtrans-56.2-46174.3-73.7175.2-29.400111.9Y133 L147 R148 I153 D154 Q155Y133-Q151 HydrophobicContact CD1-CG 3.41Å; Y133-Q151 VanDerWaalsContact CD1-CG 3.41Å; Y133-Q151 HydrophobicContact CD2-CG 3.91Å; Y133-Q151 HydrophobicContact CE1-CB 4.3Å; Y133-Q151 HydrophobicContact CE1-CG 3.44Å; Y133-Q151 VanDerWaalsContact CE1-CG 3.44Å; Y133-Q151 HydrophobicContact CE2-CG 3.92Å; Y133-Q151 HydrophobicContact CG-CG 3.67Å; Y133-Q151 VanDerWaalsContact CG-NE2 3.29Å; L147-Q151 WeakPolarHBondContact O-CG 3.36Å; L147-Q151 PolarHBondContact O-N 3.06Å; R148-Q151 WeakPolarHBondContact O-CB 3.44Å; R148-Q151 PolarHBondContact O-N 3.49Å; Q151-I153 VanDerWaalsContact C-N 3.34Å; Q151-I153 PolarHBondContact O-N 2.78Å; Q151-D154 PolarHBondContact O-N 2.84Å; Q151-Q155 WeakPolarHBondContact O-CB 3.45Å; Q151-Q155 WeakPolarHBondContact O-CG 3.39Å; Q151-Q155 PolarHBondContact O-N 2.94Å
152L93.1Very high91Very high107 Ų10783.2 Ų83.256%0.5641%0.413SS*.Hα-helixtrans-63.2-39.8177.7-90.874.3000112.2R148 I149 R150 Q155 V156R148-L152 WeakPolarHBondContact O-CD1 3.27Å; R148-L152 PolarHBondContact O-N 3.01Å; I149-L152 PolarHBondContact O-N 2.91Å; R150-L152 VanDerWaalsContact C-N 3.33Å; R150-L152 PolarHBondContact O-N 2.86Å; L152-Q155 PolarHBondContact O-N 2.97Å; L152-V156 VanDerWaalsContact O-CG2 3.3Å; L152-V156 WeakPolarHBondContact O-CG2 3.11Å; L152-V156 PolarHBondContact O-N 3.22Å
153I92.7Very high91.6Very high92 Ų9286.9 Ų86.947%0.47243%0.429SS..Hα-helixtrans-64.2-45.1177.1-69.7166.6000110.7I149 R150 Q151 Q155 V156 D157I149-I153 HydrophobicContact CG2-CD1 3.81Å; I149-I153 HydrophobicContact CG2-CG1 4.44Å; I149-I153 VanDerWaalsContact O-CG1 3.32Å; I149-I153 WeakPolarHBondContact O-CG1 3.33Å; I149-I153 PolarHBondContact O-N 2.9Å; R150-I153 PolarHBondContact O-N 2.83Å; Q151-I153 VanDerWaalsContact C-N 3.34Å; Q151-I153 PolarHBondContact O-N 2.78Å; I153-Q155 VanDerWaalsContact C-N 3.34Å; I153-Q155 PolarHBondContact O-N 3.11Å; I153-V156 PolarHBondContact O-N 3.03Å; I153-D157 PolarHBondContact O-N 3Å
154D90.1Very high91.8Very high13 Ų1385.1 Ų85.17%0.0742%0.419CS..Hα-helixtrans-65.4-37.5179.3-68.6-27.6000111.6Y133 R150 Q151 D157 Q158Y133-D154 WeakPolarHBondContact CE1-OD2 3.49Å; Y133-D154 WeakPolarHBondContact OH-CB 3.08Å; Y133-D154 PolarHBondContact OH-OD2 3.35Å; R150-D154 IonicContact CZ-OD1 3.39Å; R150-D154 IonicContact CZ-OD2 3.05Å; R150-D154 IonicContact NE-OD1 3.95Å; R150-D154 PolarHBondContact NE-OD1 2.69Å; R150-D154 IonicContact NE-OD2 3.65Å; R150-D154 PolarHBondContact NE-OD2 2.83Å; R150-D154 IonicContact NH1-OD1 2.63Å; R150-D154 IonicContact NH2-OD1 2.77Å; R150-D154 PolarHBondContact NH2-OD1 2.96Å; R150-D154 IonicContact NH2-OD2 2.79Å; R150-D154 PolarHBondContact O-N 2.83Å; Q151-D154 PolarHBondContact O-N 2.84Å; D154-D157 PolarHBondContact O-N 3.17Å; D154-Q158 PolarHBondContact O-N 2.48Å
155Q91.7Very high92Very high80 Ų8080 Ų8037%0.37439%0.39SS..Hα-helixtrans-63.8-43.3172.9-75.7178.1-0.600112.6D128 Q151 L152 I153 Q158 M159D128-Q155 HydrophobicContact CB-CG 4.34Å; D128-Q155 WeakPolarHBondContact OD2-CG 3.05Å; D128-Q155 PolarHBondContact OD2-NE2 2.92Å; Q151-Q155 WeakPolarHBondContact O-CB 3.45Å; Q151-Q155 WeakPolarHBondContact O-CG 3.39Å; Q151-Q155 PolarHBondContact O-N 2.94Å; L152-Q155 PolarHBondContact O-N 2.97Å; I153-Q155 VanDerWaalsContact C-N 3.34Å; I153-Q155 PolarHBondContact O-N 3.11Å; Q155-Q158 PolarHBondContact O-N 2.94Å; Q155-M159 VanDerWaalsContact O-CG 3.31Å; Q155-M159 WeakPolarHBondContact O-CG 3.2Å; Q155-M159 PolarHBondContact O-N 2.57Å
156V94.5Very high92.2Very high95 Ų9579.3 Ų79.358%0.57638%0.384SS*.Hα-helixtrans-66.3-38.7176.5170.80000111.1L152 I153 M159 S160L152-V156 VanDerWaalsContact O-CG2 3.3Å; L152-V156 WeakPolarHBondContact O-CG2 3.11Å; L152-V156 PolarHBondContact O-N 3.22Å; I153-V156 PolarHBondContact O-N 3.03Å; V156-M159 PolarHBondContact O-N 3.33Å; V156-S160 WeakPolarHBondContact O-CB 3.32Å; V156-S160 PolarHBondContact O-N 2.98Å
157D91.7Very high92.4Very high76 Ų7681.2 Ų81.241%0.40639%0.387SS..Hα-helixtrans-60.8-45.6173.7-176.168.6000111.4I153 D154 S160 K161I153-D157 PolarHBondContact O-N 3Å; D154-D157 PolarHBondContact O-N 3.17Å; D157-S160 WeakPolarHBondContact O-CB 3.3Å; D157-S160 PolarHBondContact O-N 3.35Å; D157-K161 WeakPolarHBondContact O-CG 3.02Å; D157-K161 PolarHBondContact O-N 3.28Å; D157-K161 WeakPolarHBondContact OD2-CE 3.39Å; D157-K161 IonicContact OD2-NZ 3.17Å; D157-K161 PolarHBondContact OD2-NZ 2.94Å
158Q89.9Confident92.6Very high32 Ų3285.2 Ų85.215%0.1540%0.4CS..Hα-helixtrans-60.7-46.7175.2-179.5175.2-15.900111.8D154 Q155 S160 K161 E162D154-Q158 PolarHBondContact O-N 2.48Å; Q155-Q158 PolarHBondContact O-N 2.94Å; Q158-S160 VanDerWaalsContact C-N 3.27Å; Q158-S160 PolarHBondContact O-N 3.42Å; Q158-K161 PolarHBondContact O-N 3.29Å; Q158-E162 PolarHBondContact NE2-OE1 2.93Å; Q158-E162 PolarHBondContact O-N 2.91Å
159M92.6Very high92.7Very high111 Ų11182.3 Ų82.355%0.54739%0.39SS..Hα-helixtrans-59.6-39.4176.5-71.3178.8-170.500111.7Q155 V156 E162 Q163Q155-M159 VanDerWaalsContact O-CG 3.31Å; Q155-M159 WeakPolarHBondContact O-CG 3.2Å; Q155-M159 PolarHBondContact O-N 2.57Å; V156-M159 PolarHBondContact O-N 3.33Å; M159-E162 PolarHBondContact O-N 2.96Å; M159-Q163 WeakPolarHBondContact O-CB 3.37Å; M159-Q163 VanDerWaalsContact O-CG 3.28Å; M159-Q163 WeakPolarHBondContact O-CG 3.31Å; M159-Q163 PolarHBondContact O-N 2.98Å
160S94.7Very high92.9Very high52 Ų5284.5 Ų84.536%0.36440%0.398SS..Hα-helixtrans-63.5-43.4176-176.40000111.7V156 D157 Q158 Q163 N164V156-S160 WeakPolarHBondContact O-CB 3.32Å; V156-S160 PolarHBondContact O-N 2.98Å; D157-S160 WeakPolarHBondContact O-CB 3.3Å; D157-S160 PolarHBondContact O-N 3.35Å; Q158-S160 VanDerWaalsContact C-N 3.27Å; Q158-S160 PolarHBondContact O-N 3.42Å; S160-Q163 PolarHBondContact O-N 3.02Å; S160-N164 VanDerWaalsContact O-CG 3.3Å; S160-N164 PolarHBondContact O-N 3.38Å; S160-N164 PolarHBondContact O-ND2 3.21Å
161K91.9Very high93.2Very high44 Ų4485.4 Ų85.419%0.19141%0.406CS..Hα-helixtrans-62.9-45174.8-74.1173.5177160.10112.2P39 D157 Q158 Q163 N164 Y165P39-K161 HydrophobicContact CB-CB 4.13Å; D157-K161 WeakPolarHBondContact O-CG 3.02Å; D157-K161 PolarHBondContact O-N 3.28Å; D157-K161 WeakPolarHBondContact OD2-CE 3.39Å; D157-K161 IonicContact OD2-NZ 3.17Å; D157-K161 PolarHBondContact OD2-NZ 2.94Å; Q158-K161 PolarHBondContact O-N 3.29Å; K161-Q163 VanDerWaalsContact C-N 3.33Å; K161-Q163 PolarHBondContact O-N 2.78Å; K161-N164 PolarHBondContact O-N 3.03Å; K161-Y165 WeakPolarHBondContact O-CB 3.27Å; K161-Y165 PolarHBondContact O-N 2.05Å
162E91.2Very high93.3Very high90 Ų9086.7 Ų86.742%0.42141%0.413SS..Hα-helixtrans-62-41175.3-74.3-176.4-156.500111.6P39 Q158 M159 Y165 Q166P39-E162 HydrophobicContact CG-CG 3.89Å; Q158-E162 PolarHBondContact NE2-OE1 2.93Å; Q158-E162 PolarHBondContact O-N 2.91Å; M159-E162 PolarHBondContact O-N 2.96Å; E162-Y165 WeakPolarHBondContact O-CB 3.22Å; E162-Y165 PolarHBondContact O-N 2.87Å; E162-Q166 WeakPolarHBondContact O-CG 3.36Å; E162-Q166 PolarHBondContact O-N 3.12Å
163Q95.4Very high93.5Very high114 Ų11488.5 Ų88.553%0.53342%0.417SS..Hα-helixtrans-62.9-43.7174.1-75.2177.311.800112.6M159 S160 K161 Y165 Q166 R167M159-Q163 WeakPolarHBondContact O-CB 3.37Å; M159-Q163 VanDerWaalsContact O-CG 3.28Å; M159-Q163 WeakPolarHBondContact O-CG 3.31Å; M159-Q163 PolarHBondContact O-N 2.98Å; S160-Q163 PolarHBondContact O-N 3.02Å; K161-Q163 VanDerWaalsContact C-N 3.33Å; K161-Q163 PolarHBondContact O-N 2.78Å; Q163-Y165 VanDerWaalsContact C-N 3.27Å; Q163-Y165 PolarHBondContact O-N 3.02Å; Q163-Q166 PolarHBondContact O-N 3.18Å; Q163-R167 WeakPolarHBondContact O-CG 3.49Å; Q163-R167 PolarHBondContact O-N 2.89Å
164N94.6Very high93.7Very high78 Ų7892.6 Ų92.642%0.41743%0.427SS..Hα-helixtrans-62.2-38.8175.6-72.6-24.7000111.2S160 K161 R167 Y168S160-N164 VanDerWaalsContact O-CG 3.3Å; S160-N164 PolarHBondContact O-N 3.38Å; S160-N164 PolarHBondContact O-ND2 3.21Å; K161-N164 PolarHBondContact O-N 3.03Å; N164-R167 PolarHBondContact O-N 2.81Å; N164-Y168 PolarHBondContact O-N 3.49Å
165Y93.5Very high94Very high24 Ų2497.4 Ų97.49%0.09445%0.449CS..Hα-helixtrans-61.5-44.3173.4-178.8-114.5000112.3E37 P98 K161 E162 Q163 R167 Y168 R169E37-Y165 VanDerWaalsContact CD-OH 3.24Å; E37-Y165 HydrophobicContact CG-CE1 3.71Å; E37-Y165 WeakPolarHBondContact CG-OH 3.5Å; E37-Y165 WeakPolarHBondContact OE1-CE1 3.38Å; E37-Y165 PolarHBondContact OE1-OH 3.29Å; P98-Y165 HydrophobicContact CB-CD2 3.54Å; P98-Y165 HydrophobicContact CB-CE2 3.69Å; K161-Y165 WeakPolarHBondContact O-CB 3.27Å; K161-Y165 PolarHBondContact O-N 2.05Å; E162-Y165 WeakPolarHBondContact O-CB 3.22Å; E162-Y165 PolarHBondContact O-N 2.87Å; Q163-Y165 VanDerWaalsContact C-N 3.27Å; Q163-Y165 PolarHBondContact O-N 3.02Å; Y165-R167 VanDerWaalsContact C-N 3.32Å; Y165-R167 PolarHBondContact O-N 3.36Å; Y165-Y168 PolarHBondContact O-N 3.16Å; Y165-R169 VanDerWaalsContact CE1-CD 3.47Å; Y165-R169 HydrophobicContact CE1-CG 4.13Å; Y165-R169 HydrophobicContact CE2-CG 4.19Å; Y165-R169 PolarHBondContact O-N 2.85Å
166Q94.6Very high94.2Very high110 Ų11098.6 Ų98.651%0.51446%0.457SS..Hα-helixtrans-62.1-39.4175.5-66.4-59.6-18.600112.2E162 Q163 R169 E170E162-Q166 WeakPolarHBondContact O-CG 3.36Å; E162-Q166 PolarHBondContact O-N 3.12Å; Q163-Q166 PolarHBondContact O-N 3.18Å; Q166-R169 PolarHBondContact O-N 3.36Å; Q166-E170 PolarHBondContact O-N 2.92Å
167R96Very high94.3Very high142 Ų14297 Ų9754%0.53645%0.45SS..Hα-helixtrans-63.1-45.6174.6-70.6175.5-176.8170.12.8111.9Q163 N164 Y165 R169 E170 E171Q163-R167 WeakPolarHBondContact O-CG 3.49Å; Q163-R167 PolarHBondContact O-N 2.89Å; N164-R167 PolarHBondContact O-N 2.81Å; Y165-R167 VanDerWaalsContact C-N 3.32Å; Y165-R167 PolarHBondContact O-N 3.36Å; R167-R169 VanDerWaalsContact C-N 3.3Å; R167-R169 PolarHBondContact O-N 2.85Å; R167-E170 WeakPolarHBondContact O-CB 3.48Å; R167-E170 PolarHBondContact O-N 2.95Å; R167-E170 VanDerWaalsContact O-N 3.16Å; R167-E171 WeakPolarHBondContact O-CG 3.41Å; R167-E171 PolarHBondContact O-N 3.48Å
168Y93.6Very high94.6Very high113 Ų11399.2 Ų99.244%0.44346%0.458SS..Hα-helixtrans-57.7-44.6175.3174.1-100.6000111.4P98 N164 Y165 E170 E171 M172P98-Y168 HydrophobicContact CG-CD1 4.48Å; P98-Y168 HydrophobicContact CG-CE1 4.46Å; N164-Y168 PolarHBondContact O-N 3.49Å; Y165-Y168 PolarHBondContact O-N 3.16Å; Y168-E170 PolarHBondContact O-N 2.74Å; Y168-E171 PolarHBondContact O-N 3.33Å; Y168-M172 HydrophobicContact CD1-CG 4.44Å; Y168-M172 HydrophobicContact CE1-CG 3.98Å; Y168-M172 HydrophobicContact CE2-CG 4.05Å; Y168-M172 HydrophobicContact CE2-SD 4.35Å; Y168-M172 WeakPolarHBondContact O-CG 3.39Å; Y168-M172 PolarHBondContact O-N 3.43Å
169R92.8Very high94.9Very high109 Ų109100 Ų10041%0.41147%0.467SS..Hα-helixtrans-61.8-42.5175.1-75.4-17262.2175.3-4.8112.6E37 Y165 Q166 R167 M172 F173E37-R169 VanDerWaalsContact CD-NH1 3.34Å; E37-R169 WeakPolarHBondContact OE1-CD 3.47Å; E37-R169 IonicContact OE1-CZ 2.69Å; E37-R169 IonicContact OE1-NE 3.43Å; E37-R169 IonicContact OE1-NH1 3.68Å; E37-R169 PolarHBondContact OE1-NH1 3.41Å; E37-R169 IonicContact OE2-NH1 3.4Å; E37-R169 PolarHBondContact OE2-NH1 3.35Å; E37-R169 VanDerWaalsContact OE2-NH1 3.17Å; Y165-R169 VanDerWaalsContact CE1-CD 3.47Å; Y165-R169 HydrophobicContact CE1-CG 4.13Å; Y165-R169 HydrophobicContact CE2-CG 4.19Å; Y165-R169 PolarHBondContact O-N 2.85Å; Q166-R169 PolarHBondContact O-N 3.36Å; R167-R169 VanDerWaalsContact C-N 3.3Å; R167-R169 PolarHBondContact O-N 2.85Å; R169-M172 PolarHBondContact O-N 3.4Å; R169-F173 VanDerWaalsContact O-CB 3.27Å; R169-F173 WeakPolarHBondContact O-CB 3.14Å; R169-F173 PolarHBondContact O-N 3Å
170E96Very high95.1Very high136 Ų13698 Ų9864%0.63646%0.461SS*.Hα-helixtrans-62.1-44.3177.1-174.1-177.2171.200111.4Q166 R167 Y168 F173 R174Q166-E170 PolarHBondContact O-N 2.92Å; R167-E170 WeakPolarHBondContact O-CB 3.48Å; R167-E170 PolarHBondContact O-N 2.95Å; R167-E170 VanDerWaalsContact O-N 3.16Å; Y168-E170 PolarHBondContact O-N 2.74Å; E170-F173 PolarHBondContact O-N 2.94Å; E170-R174 VanDerWaalsContact O-CB 3.22Å; E170-R174 WeakPolarHBondContact O-CB 3.43Å; E170-R174 PolarHBondContact O-N 3.43Å
171E96Very high95.1Very high119 Ų119100.4 Ų100.456%0.55647%0.47SS*.Hα-helixtrans-60.3-47.8176.3-72.6175.5-175.600111.6R167 Y168 R174 Q175R167-E171 WeakPolarHBondContact O-CG 3.41Å; R167-E171 PolarHBondContact O-N 3.48Å; Y168-E171 PolarHBondContact O-N 3.33Å; E171-R174 PolarHBondContact O-N 2.83Å; E171-Q175 WeakPolarHBondContact O-CG 3.38Å; E171-Q175 PolarHBondContact O-N 3.38Å
172M93.3Very high95.4Very high84 Ų84103.7 Ų103.741%0.41449%0.486SS..Hα-helixtrans-62.9-43.7176.9-70.9-57.7-59.100111.9Y168 R169 R174 Q175 L176Y168-M172 HydrophobicContact CD1-CG 4.44Å; Y168-M172 HydrophobicContact CE1-CG 3.98Å; Y168-M172 HydrophobicContact CE2-CG 4.05Å; Y168-M172 HydrophobicContact CE2-SD 4.35Å; Y168-M172 WeakPolarHBondContact O-CG 3.39Å; Y168-M172 PolarHBondContact O-N 3.43Å; R169-M172 PolarHBondContact O-N 3.4Å; M172-R174 VanDerWaalsContact C-N 3.33Å; M172-R174 PolarHBondContact O-N 3.37Å; M172-Q175 PolarHBondContact O-N 2.99Å; M172-L176 WeakPolarHBondContact O-CB 3.45Å; M172-L176 PolarHBondContact O-N 3.36Å
173F95.8Very high95.7Very high144 Ų144108 Ų10863%0.63250%0.498SS*.Hα-helixtrans-64.2-39.3177-174.8-97.2000111.5R169 E170 L176 S177R169-F173 VanDerWaalsContact O-CB 3.27Å; R169-F173 WeakPolarHBondContact O-CB 3.14Å; R169-F173 PolarHBondContact O-N 3Å; E170-F173 PolarHBondContact O-N 2.94Å; F173-L176 PolarHBondContact O-N 2.99Å; F173-S177 VanDerWaalsContact O-CB 3.26Å; F173-S177 WeakPolarHBondContact O-CB 3.37Å; F173-S177 PolarHBondContact O-N 3.48Å
174R97.7Very high95.8Very high179 Ų179106.7 Ų106.768%0.67550%0.498SS*.Hα-helixtrans-63.1-44.3176.1177.5176.9154.6-172.8-7.5111.6E170 E171 M172 S177 E178E170-R174 VanDerWaalsContact O-CB 3.22Å; E170-R174 WeakPolarHBondContact O-CB 3.43Å; E170-R174 PolarHBondContact O-N 3.43Å; E171-R174 PolarHBondContact O-N 2.83Å; M172-R174 VanDerWaalsContact C-N 3.33Å; M172-R174 PolarHBondContact O-N 3.37Å; R174-S177 PolarHBondContact O-N 3.31Å; R174-E178 WeakPolarHBondContact O-CB 3.26Å; R174-E178 PolarHBondContact O-N 2.54Å
175Q96.5Very high96Very high114 Ų114107.1 Ų107.153%0.53350%0.499SS..Hα-helixtrans-63.7-43.1175.9-70.2174.96.500112.1E171 M172 S177 E178 S179E171-Q175 WeakPolarHBondContact O-CG 3.38Å; E171-Q175 PolarHBondContact O-N 3.38Å; M172-Q175 PolarHBondContact O-N 2.99Å; Q175-S177 VanDerWaalsContact C-N 3.32Å; Q175-S177 PolarHBondContact O-N 3.36Å; Q175-E178 PolarHBondContact O-N 2.81Å; Q175-S179 WeakPolarHBondContact O-CB 3.17Å; Q175-S179 PolarHBondContact O-N 3.46Å; Q175-S179 PolarHBondContact O-OG 3.38Å
176L95.8Very high96.2Very high104 Ų104113.8 Ų113.855%0.54553%0.525SS..Hα-helixtrans-63.2-40.6175.7-177.360.6000111.4M172 F173 S179 T180M172-L176 WeakPolarHBondContact O-CB 3.45Å; M172-L176 PolarHBondContact O-N 3.36Å; F173-L176 PolarHBondContact O-N 2.99Å; L176-S179 PolarHBondContact O-OG 2.87Å; L176-T180 VanDerWaalsContact O-CB 3.24Å; L176-T180 WeakPolarHBondContact O-CB 3.47Å; L176-T180 PolarHBondContact O-N 2.96Å; L176-T180 PolarHBondContact O-OG1 3.38Å
177S96.9Very high96.3Very high63 Ų63118.1 Ų118.144%0.44154%0.537SS..Hα-helixtrans-63.7-46.8175.3-179.90000111.7F173 R174 Q175 T180 N181F173-S177 VanDerWaalsContact O-CB 3.26Å; F173-S177 WeakPolarHBondContact O-CB 3.37Å; F173-S177 PolarHBondContact O-N 3.48Å; R174-S177 PolarHBondContact O-N 3.31Å; Q175-S177 VanDerWaalsContact C-N 3.32Å; Q175-S177 PolarHBondContact O-N 3.36Å; S177-T180 PolarHBondContact O-N 3Å; S177-N181 WeakPolarHBondContact O-CB 3.49Å; S177-N181 PolarHBondContact O-N 3.01Å
178E97Very high96.4Very high122 Ų122113.4 Ų113.457%0.5753%0.528SS*.Hα-helixtrans-60.7-48.9179.1-175.8176.8166.100111.6R174 Q175 T180 N181 Q182R174-E178 WeakPolarHBondContact O-CB 3.26Å; R174-E178 PolarHBondContact O-N 2.54Å; Q175-E178 PolarHBondContact O-N 2.81Å; E178-T180 PolarHBondContact O-N 3.01Å; E178-N181 PolarHBondContact O-N 2.89Å; E178-Q182 WeakPolarHBondContact O-CB 3.24Å; E178-Q182 PolarHBondContact O-N 2.72Å
179S96.2Very high96.6Very high47 Ų47112.3 Ų112.333%0.32953%0.529SS..Hα-helixtrans-64.7-38.2178.660.10000112.8Q175 L176 R183Q175-S179 WeakPolarHBondContact O-CB 3.17Å; Q175-S179 PolarHBondContact O-N 3.46Å; Q175-S179 PolarHBondContact O-OG 3.38Å; L176-S179 PolarHBondContact O-OG 2.87Å; S179-R183 VanDerWaalsContact O-CG 3.31Å; S179-R183 WeakPolarHBondContact O-CG 3.3Å; S179-R183 PolarHBondContact O-N 3.46Å
180T97.1Very high96.9Very high69 Ų69109.5 Ų109.542%0.42353%0.529SS..Hα-helixtrans-67.2-47.8175.2-590000110.8L176 S177 E178 Q182 R183 V184L176-T180 VanDerWaalsContact O-CB 3.24Å; L176-T180 WeakPolarHBondContact O-CB 3.47Å; L176-T180 PolarHBondContact O-N 2.96Å; L176-T180 PolarHBondContact O-OG1 3.38Å; S177-T180 PolarHBondContact O-N 3Å; E178-T180 PolarHBondContact O-N 3.01Å; T180-Q182 VanDerWaalsContact C-N 3.34Å; T180-Q182 PolarHBondContact O-N 2.95Å; T180-R183 PolarHBondContact O-N 3.3Å; T180-V184 HydrophobicContact CG2-CG2 4.29Å; T180-V184 VanDerWaalsContact O-CG2 3.3Å; T180-V184 WeakPolarHBondContact O-CG2 3.34Å; T180-V184 PolarHBondContact O-N 3.5Å
181N96.2Very high97Very high103 Ų103109.1 Ų109.155%0.55153%0.527SS*.Hα-helixtrans-59.9-43.1179.7-177.555.5000111.9S177 E178 R183 V184 L185S177-N181 WeakPolarHBondContact O-CB 3.49Å; S177-N181 PolarHBondContact O-N 3.01Å; E178-N181 PolarHBondContact O-N 2.89Å; N181-R183 PolarHBondContact O-N 3.42Å; N181-V184 PolarHBondContact O-N 2.92Å; N181-L185 WeakPolarHBondContact O-CB 3.49Å; N181-L185 PolarHBondContact O-N 3.19Å
182Q97.3Very high97.1Very high114 Ų114107 Ų10753%0.53352%0.523SS..Hα-helixtrans-61.8-42.2176.6-173.6-177.53.800112.2E178 T180 L185 W186E178-Q182 WeakPolarHBondContact O-CB 3.24Å; E178-Q182 PolarHBondContact O-N 2.72Å; T180-Q182 VanDerWaalsContact C-N 3.34Å; T180-Q182 PolarHBondContact O-N 2.95Å; Q182-L185 PolarHBondContact O-N 3.25Å; Q182-W186 VanDerWaalsContact O-CD1 3.31Å; Q182-W186 PolarHBondContact O-N 3.49Å; Q182-W186 VanDerWaalsContact O-N 3.17Å
183R97.4Very high97.3Very high181 Ų181105.2 Ų105.268%0.68352%0.521SS*.Hα-helixtrans-64.1-46.7176.2-71.7172.9178.7-1661.3111.3S179 T180 N181 L185 W186 W187S179-R183 VanDerWaalsContact O-CG 3.31Å; S179-R183 WeakPolarHBondContact O-CG 3.3Å; S179-R183 PolarHBondContact O-N 3.46Å; T180-R183 PolarHBondContact O-N 3.3Å; N181-R183 PolarHBondContact O-N 3.42Å; R183-L185 VanDerWaalsContact C-N 3.3Å; R183-L185 PolarHBondContact O-N 3.4Å; R183-W186 PolarHBondContact O-N 3.26Å; R183-W187 PolarHBondContact O-N 2.94Å; R183-W187 VanDerWaalsContact O-N 3.1Å
184V98Very high97.5Very high86 Ų86102.5 Ų102.552%0.52152%0.516SS..Hα-helixtrans-59.8-41.6178171.80000111.1T180 N181 W186 W187 A188T180-V184 HydrophobicContact CG2-CG2 4.29Å; T180-V184 VanDerWaalsContact O-CG2 3.3Å; T180-V184 WeakPolarHBondContact O-CG2 3.34Å; T180-V184 PolarHBondContact O-N 3.5Å; N181-V184 PolarHBondContact O-N 2.92Å; V184-W186 PolarHBondContact O-N 3.33Å; V184-W187 PolarHBondContact O-N 2.92Å; V184-A188 WeakPolarHBondContact O-CB 3.42Å; V184-A188 PolarHBondContact O-N 3.45Å
185L97.6Very high97.5Very high86 Ų8699.1 Ų99.145%0.4551%0.51SS..Hα-helixtrans-59.3-47.7176.3-177.4160.4000111.7N181 Q182 R183 W187 A188 I189N181-L185 WeakPolarHBondContact O-CB 3.49Å; N181-L185 PolarHBondContact O-N 3.19Å; Q182-L185 PolarHBondContact O-N 3.25Å; R183-L185 VanDerWaalsContact C-N 3.3Å; R183-L185 PolarHBondContact O-N 3.4Å; L185-W187 VanDerWaalsContact C-N 3.34Å; L185-W187 PolarHBondContact O-N 2.76Å; L185-A188 PolarHBondContact O-N 3.18Å; L185-I189 HydrophobicContact CD2-CD1 3.43Å; L185-I189 VanDerWaalsContact CD2-CD1 3.43Å; L185-I189 HydrophobicContact CD2-CG1 4.12Å; L185-I189 WeakPolarHBondContact O-CG1 3.31Å; L185-I189 PolarHBondContact O-N 3.37Å
186W97.7Very high97.5Very high164 Ų16498.4 Ų98.462%0.62151%0.509SS*.Hα-helixtrans-61.4-41.1177.5-85111.5000112.8Q182 R183 V184 A188 I189 A190Q182-W186 VanDerWaalsContact O-CD1 3.31Å; Q182-W186 PolarHBondContact O-N 3.49Å; Q182-W186 VanDerWaalsContact O-N 3.17Å; R183-W186 PolarHBondContact O-N 3.26Å; V184-W186 PolarHBondContact O-N 3.33Å; W186-A188 VanDerWaalsContact C-N 3.35Å; W186-I189 PolarHBondContact O-N 3.44Å; W186-A190 PolarHBondContact O-N 2.93Å
187W97.8Very high97.6Very high202 Ų20299.1 Ų99.177%0.76551%0.513SS*.Hα-helixtrans-61.3-42173.4-79.9112.4000112.3R183 V184 L185 A190 Q191R183-W187 PolarHBondContact O-N 2.94Å; R183-W187 VanDerWaalsContact O-N 3.1Å; V184-W187 PolarHBondContact O-N 2.92Å; L185-W187 VanDerWaalsContact C-N 3.34Å; L185-W187 PolarHBondContact O-N 2.76Å; W187-A190 PolarHBondContact O-N 3.38Å; W187-Q191 WeakPolarHBondContact O-CB 3.38Å; W187-Q191 PolarHBondContact O-N 3.1Å
188A98.1Very high97.7Very high43 Ų4398.8 Ų98.836%0.35551%0.509SS..Hα-helixtrans-65.4-39.6177.300000112.7V184 L185 W186 Q191 T192V184-A188 WeakPolarHBondContact O-CB 3.42Å; V184-A188 PolarHBondContact O-N 3.45Å; L185-A188 PolarHBondContact O-N 3.18Å; W186-A188 VanDerWaalsContact C-N 3.35Å; A188-Q191 PolarHBondContact O-N 3.01Å; A188-T192 WeakPolarHBondContact O-CB 3.45Å; A188-T192 PolarHBondContact O-N 3.01Å; A188-T192 PolarHBondContact O-OG1 3.31Å
189I98.2Very high97.7Very high89 Ų8994 Ų9446%0.45649%0.492SS..Hα-helixtrans-62.3-48174-69.5178.1000110.4L185 W186 Q191 T192 A193L185-I189 HydrophobicContact CD2-CD1 3.43Å; L185-I189 VanDerWaalsContact CD2-CD1 3.43Å; L185-I189 HydrophobicContact CD2-CG1 4.12Å; L185-I189 WeakPolarHBondContact O-CG1 3.31Å; L185-I189 PolarHBondContact O-N 3.37Å; W186-I189 PolarHBondContact O-N 3.44Å; I189-Q191 VanDerWaalsContact C-N 3.34Å; I189-Q191 PolarHBondContact O-N 3.26Å; I189-T192 PolarHBondContact O-N 2.87Å; I189-A193 WeakPolarHBondContact O-CB 3.43Å; I189-A193 PolarHBondContact O-N 2.96Å
190A98.4Very high97.7Very high50 Ų5095.1 Ų95.141%0.41349%0.494SS..Hα-helixtrans-59.6-45.5178.800000111.5W186 W187 T192 A193 V194W186-A190 PolarHBondContact O-N 2.93Å; W187-A190 PolarHBondContact O-N 3.38Å; A190-T192 PolarHBondContact O-N 3.48Å; A190-A193 PolarHBondContact O-N 2.92Å; A190-V194 WeakPolarHBondContact O-CG2 3.38Å; A190-V194 PolarHBondContact O-N 3.29Å
191Q98.2Very high97.7Very high128 Ų128100.4 Ų100.460%0.59851%0.506SS*.Hα-helixtrans-60-46.3176-177.5-178.6-5.400111.9W187 A188 I189 A193 V194 L195W187-Q191 WeakPolarHBondContact O-CB 3.38Å; W187-Q191 PolarHBondContact O-N 3.1Å; A188-Q191 PolarHBondContact O-N 3.01Å; I189-Q191 VanDerWaalsContact C-N 3.34Å; I189-Q191 PolarHBondContact O-N 3.26Å; Q191-A193 VanDerWaalsContact C-N 3.34Å; Q191-A193 PolarHBondContact O-N 3.17Å; Q191-V194 PolarHBondContact O-N 3.27Å; Q191-L195 HydrophobicContact CG-CD1 4.39Å; Q191-L195 WeakPolarHBondContact O-CG 3.33Å; Q191-L195 PolarHBondContact O-N 3.46Å
192T98Very high97.7Very high76 Ų76101.3 Ų101.347%0.46651%0.507SS..Hα-helixtrans-62.6-41.7179.4-56.20000111.2A188 I189 A190 V194 L195 I196A188-T192 WeakPolarHBondContact O-CB 3.45Å; A188-T192 PolarHBondContact O-N 3.01Å; A188-T192 PolarHBondContact O-OG1 3.31Å; I189-T192 PolarHBondContact O-N 2.87Å; A190-T192 PolarHBondContact O-N 3.48Å; T192-V194 PolarHBondContact O-N 3.48Å; T192-L195 PolarHBondContact O-N 3.44Å; T192-I196 HydrophobicContact CG2-CD1 4.06Å; T192-I196 WeakPolarHBondContact O-CG1 3.3Å; T192-I196 PolarHBondContact O-N 2.94Å
193A98.3Very high97.6Very high46 Ų46101.4 Ų101.438%0.3851%0.509SS..Hα-helixtrans-61.7-42.9176.200000112I189 A190 Q191 I196 L197I189-A193 WeakPolarHBondContact O-CB 3.43Å; I189-A193 PolarHBondContact O-N 2.96Å; A190-A193 PolarHBondContact O-N 2.92Å; Q191-A193 VanDerWaalsContact C-N 3.34Å; Q191-A193 PolarHBondContact O-N 3.17Å; A193-I196 PolarHBondContact O-N 2.93Å; A193-L197 VanDerWaalsContact O-CG 3.3Å; A193-L197 WeakPolarHBondContact O-CG 3.42Å; A193-L197 PolarHBondContact O-N 2.98Å
194V98.4Very high97.4Very high86 Ų86101.7 Ų101.752%0.52151%0.51SS..Hα-helixtrans-63.5-41.8176173.10000111.5A190 Q191 T192 I196 L197 T198A190-V194 WeakPolarHBondContact O-CG2 3.38Å; A190-V194 PolarHBondContact O-N 3.29Å; Q191-V194 PolarHBondContact O-N 3.27Å; T192-V194 PolarHBondContact O-N 3.48Å; V194-I196 VanDerWaalsContact C-N 3.35Å; V194-I196 PolarHBondContact O-N 3.35Å; V194-L197 PolarHBondContact O-N 3.07Å; V194-T198 HydrophobicContact CG1-CG2 4.35Å; V194-T198 WeakPolarHBondContact O-CB 3.39Å; V194-T198 WeakPolarHBondContact O-CG2 3.34Å; V194-T198 PolarHBondContact O-N 2.91Å; V194-T198 PolarHBondContact O-OG1 3.44Å
195L97.8Very high97.1Very high108 Ų108103.4 Ų103.457%0.56551%0.512SS*.Hα-helixtrans-62.1-41.2175.4-71.5174.7000112Q191 T192 T198 G199Q191-L195 HydrophobicContact CG-CD1 4.39Å; Q191-L195 WeakPolarHBondContact O-CG 3.33Å; Q191-L195 PolarHBondContact O-N 3.46Å; T192-L195 PolarHBondContact O-N 3.44Å; L195-T198 WeakPolarHBondContact CA-OG1 3.5Å; L195-T198 PolarHBondContact O-OG1 3.4Å; L195-G199 PolarHBondContact O-N 3.48Å
196I98.2Very high96.8Very high99 Ų99103.8 Ų103.851%0.50851%0.514SS..Hα-helixtrans-64.5-46.5175.7-68.4167.3000110.8T192 A193 V194 T198 G199 I200T192-I196 HydrophobicContact CG2-CD1 4.06Å; T192-I196 WeakPolarHBondContact O-CG1 3.3Å; T192-I196 PolarHBondContact O-N 2.94Å; A193-I196 PolarHBondContact O-N 2.93Å; V194-I196 VanDerWaalsContact C-N 3.35Å; V194-I196 PolarHBondContact O-N 3.35Å; I196-T198 PolarHBondContact O-N 3.02Å; I196-G199 PolarHBondContact O-N 3.39Å; I196-I200 HydrophobicContact CG2-CD1 3.84Å; I196-I200 HydrophobicContact CG2-CG1 4.47Å; I196-I200 WeakPolarHBondContact O-CG1 3.35Å; I196-I200 PolarHBondContact O-N 3.48Å
197L97.9Very high96.5Very high119 Ų119102.7 Ų102.762%0.62351%0.514SS*.Hα-helixtrans-61.7-45.2180-73172.6000112A193 V194 I200 W201A193-L197 VanDerWaalsContact O-CG 3.3Å; A193-L197 WeakPolarHBondContact O-CG 3.42Å; A193-L197 PolarHBondContact O-N 2.98Å; V194-L197 PolarHBondContact O-N 3.07Å; L197-I200 PolarHBondContact O-N 3.32Å; L197-W201 WeakPolarHBondContact O-CB 3.48Å; L197-W201 PolarHBondContact O-N 2.98Å
198T97.4Very high96.1Very high57 Ų5794.8 Ų94.835%0.3550%0.495SS..Hα-helixtrans-66.1-38.8176.652.30000111.8V194 L195 I196 W201 Q202V194-T198 HydrophobicContact CG1-CG2 4.35Å; V194-T198 WeakPolarHBondContact O-CB 3.39Å; V194-T198 WeakPolarHBondContact O-CG2 3.34Å; V194-T198 PolarHBondContact O-N 2.91Å; V194-T198 PolarHBondContact O-OG1 3.44Å; L195-T198 WeakPolarHBondContact CA-OG1 3.5Å; L195-T198 PolarHBondContact O-OG1 3.4Å; I196-T198 PolarHBondContact O-N 3.02Å; T198-W201 PolarHBondContact O-N 3.42Å; T198-Q202 WeakPolarHBondContact O-CB 3.43Å; T198-Q202 WeakPolarHBondContact O-CG 3.47Å; T198-Q202 PolarHBondContact O-N 2.91Å
199G97.4Very high95.7Very high22 Ų2297 Ų9723%0.22750%0.497CS..Hα-helixtrans-61.6-44.9173.400000113.2L195 I196 W201 Q202 M203L195-G199 PolarHBondContact O-N 3.48Å; I196-G199 PolarHBondContact O-N 3.39Å; G199-W201 VanDerWaalsContact C-N 3.33Å; G199-W201 PolarHBondContact O-N 2.88Å; G199-Q202 PolarHBondContact O-N 3.29Å; G199-M203 WeakPolarHBondContact O-CG 3.42Å; G199-M203 PolarHBondContact O-N 2.92Å
200I97Very high95.3Very high70 Ų7098.3 Ų98.336%0.35950%0.499SS..Hα-helixtrans-62.1-43175-68.3167.7000110.9I196 L197 M203 R204I196-I200 HydrophobicContact CG2-CD1 3.84Å; I196-I200 HydrophobicContact CG2-CG1 4.47Å; I196-I200 WeakPolarHBondContact O-CG1 3.35Å; I196-I200 PolarHBondContact O-N 3.48Å; L197-I200 PolarHBondContact O-N 3.32Å; I200-M203 HydrophobicContact CG1-CE 4.28Å; I200-M203 PolarHBondContact O-N 3.35Å; I200-R204 WeakPolarHBondContact O-CG 3.34Å; I200-R204 PolarHBondContact O-N 3.36Å
201W96.6Very high94.8Very high179 Ų179103 Ų10368%0.67851%0.513SS*.Hα-helixtrans-62.7-45.8177.8177.252.6000112L197 T198 G199 M203 R204 H205L197-W201 WeakPolarHBondContact O-CB 3.48Å; L197-W201 PolarHBondContact O-N 2.98Å; T198-W201 PolarHBondContact O-N 3.42Å; G199-W201 VanDerWaalsContact C-N 3.33Å; G199-W201 PolarHBondContact O-N 2.88Å; W201-M203 PolarHBondContact O-N 3.06Å; W201-R204 PolarHBondContact O-N 3.23Å; W201-H205 WeakPolarHBondContact O-CB 3.47Å; W201-H205 PolarHBondContact O-N 3.03Å
202Q95.7Very high94.2Very high122 Ų122101 Ų10157%0.5752%0.518SS*.Hα-helixtrans-58.4-45175.2-75.9178.8-600112.1T198 G199 R204 H205 L206T198-Q202 WeakPolarHBondContact O-CB 3.43Å; T198-Q202 WeakPolarHBondContact O-CG 3.47Å; T198-Q202 PolarHBondContact O-N 2.91Å; G199-Q202 PolarHBondContact O-N 3.29Å; Q202-R204 PolarHBondContact O-N 3.49Å; Q202-H205 PolarHBondContact O-N 2.91Å; Q202-L206 WeakPolarHBondContact O-CG 3.13Å; Q202-L206 PolarHBondContact O-N 3.31Å
203M95.3Very high93.5Very high117 Ų117103.4 Ų103.458%0.57652%0.522SS*.Hα-helixtrans-61.2-42.1177-74.4-172.4-76.400112.3G199 I200 W201 K207G199-M203 WeakPolarHBondContact O-CG 3.42Å; G199-M203 PolarHBondContact O-N 2.92Å; I200-M203 HydrophobicContact CG1-CE 4.28Å; I200-M203 PolarHBondContact O-N 3.35Å; W201-M203 PolarHBondContact O-N 3.06Å; M203-K207 WeakPolarHBondContact O-CG 3.4Å; M203-K207 PolarHBondContact O-N 3.23Å
204R93.8Very high92.3Very high186 Ų186109.9 Ų109.970%0.70254%0.542SS*.Hα-helixtrans-66.3-42.3176.2-73.9-175.3179.4163.51.1112.1I200 W201 Q202 K207 G208I200-R204 WeakPolarHBondContact O-CG 3.34Å; I200-R204 PolarHBondContact O-N 3.36Å; W201-R204 PolarHBondContact O-N 3.23Å; Q202-R204 PolarHBondContact O-N 3.49Å; R204-K207 PolarHBondContact O-N 3.04Å; R204-G208 PolarHBondContact O-N 3.11Å
205H91.8Very high90.6Very high123 Ų123111.4 Ų111.457%0.56955%0.546SS*.Hα-helixtrans-61.6-45.3176.9178.8-87.6000111.8W201 Q202 G208 F209W201-H205 WeakPolarHBondContact O-CB 3.47Å; W201-H205 PolarHBondContact O-N 3.03Å; Q202-H205 PolarHBondContact O-N 2.91Å; H205-G208 PolarHBondContact O-N 2.97Å; H205-F209 PolarHBondContact O-N 3.34Å
206L91.6Very high88.6Confident93 Ų93115.8 Ų115.849%0.48758%0.577SS.*Hα-helixtrans-62.7-41.8176.4-73171.9000112.2Q202 F209 F210Q202-L206 WeakPolarHBondContact O-CG 3.13Å; Q202-L206 PolarHBondContact O-N 3.31Å; L206-F209 WeakPolarHBondContact O-CB 3.47Å; L206-F209 PolarHBondContact O-N 2.89Å; L206-F210 WeakPolarHBondContact O-CD2 3.28Å; L206-F210 PolarHBondContact O-N 3.45Å
207K91.3Very high88.2Confident142 Ų142116.6 Ų116.662%0.61758%0.58SS**Hα-helixtrans-59.4-48174.3-75.8-176.9177.2-171.40111.9M203 R204 F209 F210 E211M203-K207 WeakPolarHBondContact O-CG 3.4Å; M203-K207 PolarHBondContact O-N 3.23Å; R204-K207 PolarHBondContact O-N 3.04Å; K207-F209 VanDerWaalsContact C-N 3.26Å; K207-F209 PolarHBondContact O-N 3.11Å; K207-F210 PolarHBondContact O-N 3.42Å; K207-F210 VanDerWaalsContact O-N 3.17Å; K207-E211 WeakPolarHBondContact O-CG 3.44Å; K207-E211 PolarHBondContact O-N 3.37Å
208G89.8Confident87.6Confident36 Ų36116.5 Ų116.537%0.37158%0.578SS.*Hα-helixtrans-60.1-35.4176.100000113.1R204 H205 A212R204-G208 PolarHBondContact O-N 3.11Å; H205-G208 PolarHBondContact O-N 2.97Å; G208-A212 VanDerWaalsContact O-CB 3.28Å; G208-A212 WeakPolarHBondContact O-CB 3.5Å; G208-A212 PolarHBondContact O-N 3.41Å
209F89.1Confident87.1Confident90 Ų90119.8 Ų119.840%0.39559%0.591SS.*Hα-helixtrans-66.3-42.7174.4178.7-93.6000112.9H205 L206 K207 K213H205-F209 PolarHBondContact O-N 3.34Å; L206-F209 WeakPolarHBondContact O-CB 3.47Å; L206-F209 PolarHBondContact O-N 2.89Å; K207-F209 VanDerWaalsContact C-N 3.26Å; K207-F209 PolarHBondContact O-N 3.11Å; F209-K213 HydrophobicContact CE1-CD 3.9Å; F209-K213 HydrophobicContact CE2-CD 3.89Å; F209-K213 VanDerWaalsContact CE2-CE 3.41Å; F209-K213 HydrophobicContact CZ-CD 3.53Å; F209-K213 VanDerWaalsContact CZ-CE 3.41Å; F209-K213 HydrophobicContact CZ-CG 4.5Å; F209-K213 WeakPolarHBondContact O-CB 3.49Å; F209-K213 PolarHBondContact O-N 3.19Å; F209-K213 VanDerWaalsContact O-N 3.11Å
210F89.9Confident86.5Confident115 Ų115125.5 Ų125.550%0.50461%0.612SS.*Hα-helixtrans-69-40.9177.7-73.8-60.7000112.5L206 K207 K213 K214 L215L206-F210 WeakPolarHBondContact O-CD2 3.28Å; L206-F210 PolarHBondContact O-N 3.45Å; K207-F210 PolarHBondContact O-N 3.42Å; K207-F210 VanDerWaalsContact O-N 3.17Å; F210-K213 PolarHBondContact O-N 3.01Å; F210-K214 PolarHBondContact O-N 3.32Å; F210-L215 HydrophobicContact CD1-CB 4.41Å
211E86.8Confident85.8Confident150 Ų150129 Ų12970%0.70163%0.628SS**Hα-helixtrans-61.4-45.4174.5-74.6176-171.600111.5K207 K213 K214K207-E211 WeakPolarHBondContact O-CG 3.44Å; K207-E211 PolarHBondContact O-N 3.37Å; E211-K213 VanDerWaalsContact C-N 3.33Å; E211-K213 PolarHBondContact O-N 2.95Å; E211-K214 PolarHBondContact O-N 3Å
212A85.4Confident85.1Confident86 Ų86125.7 Ų125.771%0.71163%0.625SS**Hα-helixtrans-65.7-34.1179.100000113.1G208G208-A212 VanDerWaalsContact O-CB 3.28Å; G208-A212 WeakPolarHBondContact O-CB 3.5Å; G208-A212 PolarHBondContact O-N 3.41Å
213K84Confident84.4Confident125 Ų125125.9 Ų125.954%0.54363%0.628SS.*THydrogen-bonded Turntrans-89.21.6-179-73.6-160.7175.6-1710114.9F209 F210 E211 L215F209-K213 HydrophobicContact CE1-CD 3.9Å; F209-K213 HydrophobicContact CE2-CD 3.89Å; F209-K213 VanDerWaalsContact CE2-CE 3.41Å; F209-K213 HydrophobicContact CZ-CD 3.53Å; F209-K213 VanDerWaalsContact CZ-CE 3.41Å; F209-K213 HydrophobicContact CZ-CG 4.5Å; F209-K213 WeakPolarHBondContact O-CB 3.49Å; F209-K213 PolarHBondContact O-N 3.19Å; F209-K213 VanDerWaalsContact O-N 3.11Å; F210-K213 PolarHBondContact O-N 3.01Å; E211-K213 VanDerWaalsContact C-N 3.33Å; E211-K213 PolarHBondContact O-N 2.95Å; K213-L215 HydrophobicContact CB-CD1 4.04Å; K213-L215 HydrophobicContact CB-CG 4.42Å; K213-L215 HydrophobicContact CD-CD1 4.48Å; K213-L215 PolarHBondContact O-N 3.17Å; K213-L215 VanDerWaalsContact O-N 3.11Å
214K73.9Confident83.5Confident183 Ų183126.6 Ų126.680%0.79663%0.632SS**THydrogen-bonded Turntrans43.344-177.5-70.3-171.9175.4-175.10112.7F210 E211F210-K214 PolarHBondContact O-N 3.32Å; E211-K214 PolarHBondContact O-N 3Å
215L62.8Low82.7Confident117 Ų117121.7 Ų121.761%0.61363%0.627SS**  trans-84.4-1.8176.5-85.7159.7000112.8F210 K213F210-L215 HydrophobicContact CD1-CB 4.41Å; K213-L215 HydrophobicContact CB-CD1 4.04Å; K213-L215 HydrophobicContact CB-CG 4.42Å; K213-L215 HydrophobicContact CD-CD1 4.48Å; K213-L215 PolarHBondContact O-N 3.17Å; K213-L215 VanDerWaalsContact O-N 3.11Å
216V55.8Low81.9Confident200 Ų200121.5 Ų121.5100%1.21263%0.632SS**  trans-146.40151.3173.70000107.2

Retrieved 216 of 216 residues in 167.8 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).