A0A087XVP2_POEFO Loading...

Ropporin-1-like protein

AlphaFold DB , UniProt , Accession A0A087XVP2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 210 aa.

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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
1M54.7Low62.9Low234 Ų234143.2 Ų143.2100%1.15377%0.771SS**  0133.70-84-177.8-108.200107.7
2P61.4Low64.2Low125 Ų125142.8 Ų142.881%0.81276%0.761SS**PPolyproline II helixtrans-64.4146.8166.629.8-30.9000108.7
3L58.7Low65.5Low156 Ų156139.1 Ų139.182%0.81774%0.74SS**PPolyproline II helixtrans-63.6137.8174-71.7164.9000108.4D5L3-D5 PolarHBondContact O-N 2.95Å
4P64.6Low66.8Low116 Ų116140.1 Ų140.175%0.75375%0.745SS**PPolyproline II helixtrans-61.813017724.3-31.1000109.6T6P4-T6 PolarHBondContact O-N 3.01Å
5D62.1Low68.2Low140 Ų140137.8 Ų137.875%0.74973%0.732SS**  trans-59.8107.4173.1-72.9-42.8000108.9L3 F7L3-D5 PolarHBondContact O-N 2.95Å; D5-F7 HydrophobicContact CB-CD2 4.43Å; D5-F7 HydrophobicContact CB-CE2 4.23Å; D5-F7 WeakPolarHBondContact O-CD2 3.46Å; D5-F7 PolarHBondContact O-N 3.41Å
6T63.2Low69.7Low104 Ų104133.3 Ų133.364%0.63871%0.713SS**  trans-65.395.9170.311.80000108.8P4 Y8P4-T6 PolarHBondContact O-N 3.01Å; T6-Y8 WeakPolarHBondContact O-CD2 3.38Å; T6-Y8 PolarHBondContact O-N 2.89Å; T6-Y8 VanDerWaalsContact O-N 3.16Å
7F65.9Low71.1Confident169 Ų169131.6 Ų131.674%0.74171%0.711SS**  trans-69.7102.1166.9-81.2-88.6000108.8D5 Q12D5-F7 HydrophobicContact CB-CD2 4.43Å; D5-F7 HydrophobicContact CB-CE2 4.23Å; D5-F7 WeakPolarHBondContact O-CD2 3.46Å; D5-F7 PolarHBondContact O-N 3.41Å; F7-Q12 PolarHBondContact O-OE1 3.49Å
8Y62.1Low72.4Confident177 Ų177130.7 Ų130.769%0.69470%0.701SS**  trans-83.5108.4168.2-64-79.3000108.9T6T6-Y8 WeakPolarHBondContact O-CD2 3.38Å; T6-Y8 PolarHBondContact O-N 2.89Å; T6-Y8 VanDerWaalsContact O-N 3.16Å
9C64.8Low73.5Confident66 Ų66127.5 Ų127.545%0.44668%0.684SS.*  trans-91.9136.5169.6-75.20000110.1Q11 Q12C9-Q11 PolarHBondContact O-N 3.43Å; C9-Q12 HydrophobicContact CB-CG 4.24Å; C9-Q12 WeakPolarHBondContact O-CB 3.31Å; C9-Q12 PolarHBondContact O-N 3.38Å
10A64.7Low74.6Confident94 Ų94124.8 Ų124.878%0.77767%0.673SS**G310 helixtrans-56-25.2179.900000113.8Q12 I13A10-Q12 VanDerWaalsContact C-N 3.27Å; A10-Q12 PolarHBondContact O-N 2.99Å; A10-I13 PolarHBondContact O-N 3.23Å
11Q69.4Low75.6Confident194 Ų194123.7 Ų123.791%0.90767%0.667SS**G310 helixtrans-71.3-17.6176.4-65.3170.5-9.700113.8C9C9-Q11 PolarHBondContact O-N 3.43Å
12Q79.4Confident77.6Confident138 Ų138115.8 Ų115.865%0.64563%0.629SS**G310 helixtrans-87.3-16.3179.3-63.5170.6-44.900112.5F7 C9 A10F7-Q12 PolarHBondContact O-OE1 3.49Å; C9-Q12 HydrophobicContact CB-CG 4.24Å; C9-Q12 WeakPolarHBondContact O-CB 3.31Å; C9-Q12 PolarHBondContact O-N 3.38Å; A10-Q12 VanDerWaalsContact C-N 3.27Å; A10-Q12 PolarHBondContact O-N 2.99Å
13I80.3Confident79.2Confident95 Ų95114 Ų11449%0.48761%0.612SS.*SBendtrans-108.7100.2-178.4-54.7176.7000107.8A10 I15A10-I13 PolarHBondContact O-N 3.23Å; I13-I15 HydrophobicContact CG2-CG1 3.97Å; I13-I15 PolarHBondContact O-N 3.19Å
14N84.5Confident81.1Confident153 Ų153112.1 Ų112.182%0.81860%0.597SS**  trans-78.2105.7173.3-172.723.8000109.5
15I86.8Confident82.6Confident106 Ų106109.6 Ų109.654%0.54458%0.582SS.*  trans-91.8119176-57.7177.5000108I13 L19I13-I15 HydrophobicContact CG2-CG1 3.97Å; I13-I15 PolarHBondContact O-N 3.19Å; I15-L19 HydrophobicContact CG2-CD2 4.12Å
16P92.8Very high84.3Confident66 Ų66104.4 Ų104.443%0.42955%0.553SS.*  trans-56.7134.6174.7-24.534.3000111.1E18 L19P16-E18 PolarHBondContact O-N 3.01Å; P16-L19 HydrophobicContact CB-CB 4.4Å; P16-L19 WeakPolarHBondContact O-CB 3.35Å; P16-L19 PolarHBondContact O-N 3.2Å; P16-L19 VanDerWaalsContact O-N 3.13Å
17P93.3Very high85.9Confident104 Ų104102.9 Ų102.968%0.67554%0.544SS*.THydrogen-bonded Turntrans-63.8-23.8-174.123.7-31.3000113.4P20P17-P20 WeakPolarHBondContact O-CD 3.42Å
18E94.4Very high87.3Confident116 Ų116100.8 Ų100.854%0.54253%0.534SS..THydrogen-bonded Turntrans-82.1-20.1179.2-54.679-170.900113.4P16 D21 I22P16-E18 PolarHBondContact O-N 3.01Å; E18-D21 PolarHBondContact O-N 3.46Å; E18-I22 HydrophobicContact CB-CD1 4.19Å; E18-I22 WeakPolarHBondContact O-CG1 3.45Å; E18-I22 PolarHBondContact O-N 3.47Å; E18-I22 VanDerWaalsContact O-N 3.11Å
19L94.1Very high88.9Confident70 Ų7092.7 Ų92.737%0.36650%0.504SS..Hα-helixtrans-56.9-44.9-173.3-179.965000113.1I15 P16 D21 I22 L23I15-L19 HydrophobicContact CG2-CD2 4.12Å; P16-L19 HydrophobicContact CB-CB 4.4Å; P16-L19 WeakPolarHBondContact O-CB 3.35Å; P16-L19 PolarHBondContact O-N 3.2Å; P16-L19 VanDerWaalsContact O-N 3.13Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 3.37Å; L19-I22 PolarHBondContact O-N 3.13Å; L19-L23 HydrophobicContact CD1-CD1 4.11Å; L19-L23 HydrophobicContact CD1-CG 4.06Å; L19-L23 HydrophobicContact CG-CD1 4.03Å; L19-L23 HydrophobicContact CG-CG 4.38Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.48Å
20P94.8Very high90.4Very high73 Ų7390.3 Ų90.347%0.47449%0.489SS..Hα-helixtrans-58.4-41178.5-25.135.9000113.5P17 L23 K24P17-P20 WeakPolarHBondContact O-CD 3.42Å; P20-L23 PolarHBondContact O-N 3.47Å; P20-K24 VanDerWaalsContact O-CB 3.28Å; P20-K24 WeakPolarHBondContact O-CB 3.41Å; P20-K24 PolarHBondContact O-N 3.14Å
21D95.8Very high91.8Very high102 Ų10290.4 Ų90.455%0.54548%0.475SS..Hα-helixtrans-73.6-35.3-178.3-76.2-35.3000112.4E18 L19 K24 S25E18-D21 PolarHBondContact O-N 3.46Å; L19-D21 VanDerWaalsContact C-N 3.32Å; L19-D21 PolarHBondContact O-N 3.37Å; D21-K24 PolarHBondContact O-N 2.9Å; D21-S25 WeakPolarHBondContact O-CB 3.48Å; D21-S25 PolarHBondContact O-N 2.76Å; D21-S25 PolarHBondContact O-OG 3.45Å
22I95.8Very high92.9Very high68 Ų6886 Ų8635%0.34945%0.45SS..Hα-helixtrans-60.9-50.8172.2-66.9168.8000110E18 L19 K24 S25 F26 F46E18-I22 HydrophobicContact CB-CD1 4.19Å; E18-I22 WeakPolarHBondContact O-CG1 3.45Å; E18-I22 PolarHBondContact O-N 3.47Å; E18-I22 VanDerWaalsContact O-N 3.11Å; L19-I22 PolarHBondContact O-N 3.13Å; I22-K24 VanDerWaalsContact C-N 3.33Å; I22-K24 PolarHBondContact O-N 3.32Å; I22-S25 PolarHBondContact O-N 2.85Å; I22-F26 WeakPolarHBondContact O-CB 3.44Å; I22-F26 PolarHBondContact O-N 3.35Å; I22-F46 HydrophobicContact CG2-CE1 3.72Å; I22-F46 HydrophobicContact CG2-CZ 4.31Å
23L96.8Very high93.5Very high87 Ų8779.6 Ų79.646%0.45542%0.421SS..Hα-helixtrans-63.1-39179.7-67.8177.3000112.1L19 P20 T27L19-L23 HydrophobicContact CD1-CD1 4.11Å; L19-L23 HydrophobicContact CD1-CG 4.06Å; L19-L23 HydrophobicContact CG-CD1 4.03Å; L19-L23 HydrophobicContact CG-CG 4.38Å; L19-L23 WeakPolarHBondContact O-CG 3.42Å; L19-L23 PolarHBondContact O-N 3.48Å; P20-L23 PolarHBondContact O-N 3.47Å; L23-T27 WeakPolarHBondContact O-CB 3.31Å; L23-T27 PolarHBondContact O-N 3.43Å; L23-T27 PolarHBondContact O-OG1 3.5Å
24K96.7Very high94Very high117 Ų11780.6 Ų80.651%0.50942%0.424SS..Hα-helixtrans-63.1-44.3175.2-177.7179.4-179.1-178.80111.7P20 D21 I22 T27 K28P20-K24 VanDerWaalsContact O-CB 3.28Å; P20-K24 WeakPolarHBondContact O-CB 3.41Å; P20-K24 PolarHBondContact O-N 3.14Å; D21-K24 PolarHBondContact O-N 2.9Å; I22-K24 VanDerWaalsContact C-N 3.33Å; I22-K24 PolarHBondContact O-N 3.32Å; K24-T27 PolarHBondContact O-N 2.92Å; K24-K28 WeakPolarHBondContact O-CG 3.41Å; K24-K28 PolarHBondContact O-N 3.43Å
25S96.6Very high94.4Very high62 Ų6274.5 Ų74.543%0.43439%0.392SS..Hα-helixtrans-66.2-45179-60.60000111.6D21 I22 T27 K28 A29D21-S25 WeakPolarHBondContact O-CB 3.48Å; D21-S25 PolarHBondContact O-N 2.76Å; D21-S25 PolarHBondContact O-OG 3.45Å; I22-S25 PolarHBondContact O-N 2.85Å; S25-T27 PolarHBondContact O-N 3.04Å; S25-K28 PolarHBondContact O-N 3.28Å; S25-A29 VanDerWaalsContact O-CB 3.31Å; S25-A29 WeakPolarHBondContact O-CB 3.49Å; S25-A29 PolarHBondContact O-N 2.9Å
26F97.3Very high94.5Very high32 Ų3275.7 Ų75.714%0.1439%0.394CS..Hα-helixtrans-56.8-49.1172.8169.8-99.6000111.8I22 K28 A29 A30 L38 W41 C42 Y45 F46I22-F26 WeakPolarHBondContact O-CB 3.44Å; I22-F26 PolarHBondContact O-N 3.35Å; F26-K28 PolarHBondContact O-N 3.06Å; F26-A29 WeakPolarHBondContact O-CB 3.33Å; F26-A29 PolarHBondContact O-N 3.22Å; F26-A29 VanDerWaalsContact O-N 3.15Å; F26-A30 PolarHBondContact O-N 3.33Å; F26-L38 HydrophobicContact CZ-CD1 4.18Å; F26-W41 AromaticContact CD2-CZ3 3.93Å; F26-W41 HydrophobicContact CD2-CZ3 3.93Å; F26-W41 HydrophobicContact CE2-CE3 4.04Å; F26-W41 HydrophobicContact CE2-CH2 4.48Å; F26-W41 AromaticContact CE2-CZ3 3.48Å; F26-W41 HydrophobicContact CE2-CZ3 3.48Å; F26-W41 VanDerWaalsContact CE2-CZ3 3.48Å; F26-W41 HydrophobicContact CZ-CZ3 4.15Å; F26-C42 HydrophobicContact CE2-CB 3.88Å; F26-C42 HydrophobicContact CZ-CB 4Å; F26-Y45 HydrophobicContact CB-CE1 4.1Å; F26-Y45 AromaticContact CD2-CD1 3.72Å; F26-Y45 HydrophobicContact CD2-CD1 3.72Å; F26-Y45 AromaticContact CD2-CE1 3.95Å; F26-Y45 HydrophobicContact CD2-CE1 3.95Å; F26-Y45 HydrophobicContact CD2-CG 4.22Å; F26-Y45 HydrophobicContact CE2-CD1 4.46Å; F26-F46 HydrophobicContact CB-CZ 4.12Å; F26-F46 HydrophobicContact CD2-CD2 4.49Å; F26-F46 AromaticContact CD2-CE2 3.63Å; F26-F46 HydrophobicContact CD2-CE2 3.63Å; F26-F46 AromaticContact CD2-CZ 3.88Å; F26-F46 HydrophobicContact CD2-CZ 3.88Å; F26-F46 AromaticContact CE2-CE2 3.89Å; F26-F46 HydrophobicContact CE2-CE2 3.89Å; F26-F46 HydrophobicContact CG-CE2 4.15Å; F26-F46 HydrophobicContact CG-CZ 4.03Å
27T96.9Very high94.5Very high72 Ų7276 Ų7644%0.44239%0.391SS..Hα-helixtrans-62.7-44.4-178.1-55.80000111.4L23 K24 S25 A29 A30 I31L23-T27 WeakPolarHBondContact O-CB 3.31Å; L23-T27 PolarHBondContact O-N 3.43Å; L23-T27 PolarHBondContact O-OG1 3.5Å; K24-T27 PolarHBondContact O-N 2.92Å; S25-T27 PolarHBondContact O-N 3.04Å; T27-A29 VanDerWaalsContact C-N 3.31Å; T27-A29 PolarHBondContact O-N 3.35Å; T27-A30 PolarHBondContact O-N 3.1Å; T27-I31 HydrophobicContact CG2-CD1 4.02Å; T27-I31 VanDerWaalsContact O-CG1 3.27Å; T27-I31 WeakPolarHBondContact O-CG1 3.44Å; T27-I31 PolarHBondContact O-N 3.33Å
28K96.4Very high94.6Very high125 Ų12575.4 Ų75.454%0.54338%0.382SS..Hα-helixtrans-60.6-41.6174.6-74.6178176.4-171.60112.1K24 S25 F26 I31 R32K24-K28 WeakPolarHBondContact O-CG 3.41Å; K24-K28 PolarHBondContact O-N 3.43Å; S25-K28 PolarHBondContact O-N 3.28Å; F26-K28 PolarHBondContact O-N 3.06Å; K28-I31 PolarHBondContact O-N 2.87Å; K28-R32 WeakPolarHBondContact O-CG 3.39Å; K28-R32 PolarHBondContact O-N 3.28Å
29A95.9Very high94.7Very high6 Ų676.7 Ų76.75%0.0539%0.392CS..Hα-helixtrans-65.8-41.6178.900000112S25 F26 T27 R32 T33 W41 Y45 V57S25-A29 VanDerWaalsContact O-CB 3.31Å; S25-A29 WeakPolarHBondContact O-CB 3.49Å; S25-A29 PolarHBondContact O-N 2.9Å; F26-A29 WeakPolarHBondContact O-CB 3.33Å; F26-A29 PolarHBondContact O-N 3.22Å; F26-A29 VanDerWaalsContact O-N 3.15Å; T27-A29 VanDerWaalsContact C-N 3.31Å; T27-A29 PolarHBondContact O-N 3.35Å; A29-R32 PolarHBondContact O-N 3.38Å; A29-T33 VanDerWaalsContact O-CB 3.29Å; A29-T33 WeakPolarHBondContact O-CB 3.38Å; A29-T33 PolarHBondContact O-N 2.92Å; A29-T33 PolarHBondContact O-OG1 3.07Å; A29-W41 HydrophobicContact CB-CH2 3.73Å; A29-W41 HydrophobicContact CB-CZ2 4.26Å; A29-Y45 HydrophobicContact CB-CD2 4.39Å; A29-Y45 HydrophobicContact CB-CE2 3.73Å; A29-V57 HydrophobicContact CB-CB 4.34Å; A29-V57 HydrophobicContact CB-CG1 3.55Å; A29-V57 HydrophobicContact CB-CG2 3.75Å
30A95.2Very high94.7Very high16 Ų1677.5 Ų77.513%0.13239%0.394CS..Hα-helixtrans-63.1-45.7175.400000111.4F26 T27 R32 T33 Q34 L38 W41F26-A30 PolarHBondContact O-N 3.33Å; T27-A30 PolarHBondContact O-N 3.1Å; A30-R32 VanDerWaalsContact C-N 3.32Å; A30-R32 PolarHBondContact O-N 2.88Å; A30-T33 PolarHBondContact O-N 3.24Å; A30-Q34 PolarHBondContact O-N 2.9Å; A30-L38 HydrophobicContact CB-CD1 4Å; A30-W41 HydrophobicContact CB-CH2 4.11Å; A30-W41 HydrophobicContact CB-CZ3 3.73Å
31I93.9Very high94.8Very high97 Ų9774 Ų7450%0.49737%0.371SS..Hα-helixtrans-59.2-42.4177-69.4165.4000111.3T27 K28 Q34T27-I31 HydrophobicContact CG2-CD1 4.02Å; T27-I31 VanDerWaalsContact O-CG1 3.27Å; T27-I31 WeakPolarHBondContact O-CG1 3.44Å; T27-I31 PolarHBondContact O-N 3.33Å; K28-I31 PolarHBondContact O-N 2.87Å; I31-Q34 PolarHBondContact O-NE2 3.06Å
32R92.8Very high94.9Very high100 Ų10070.7 Ų70.738%0.37736%0.355SS..Hα-helixtrans-69.5-39.7178.6-76.3163.853.6155.7-21.8112.3K28 A29 A30 K58 E59K28-R32 WeakPolarHBondContact O-CG 3.39Å; K28-R32 PolarHBondContact O-N 3.28Å; A29-R32 PolarHBondContact O-N 3.38Å; A30-R32 VanDerWaalsContact C-N 3.32Å; A30-R32 PolarHBondContact O-N 2.88Å; R32-K58 VanDerWaalsContact CZ-O 3.22Å; R32-K58 PolarHBondContact NE-O 3.14Å; R32-K58 PolarHBondContact NH2-O 2.9Å; R32-E59 PolarHBondContact NE-O 2.69Å; R32-E59 PolarHBondContact NH1-O 3.26Å; R32-E59 VanDerWaalsContact NH1-O 3.15Å; R32-E59 PolarHBondContact NH2-O 3.46Å
33T92.3Very high94.9Very high4 Ų471.5 Ų71.53%0.02537%0.367CS..Hα-helixtrans-83.4-29.9-170.4-52.60000112.8A29 A30 W41 V57 K58 L78A29-T33 VanDerWaalsContact O-CB 3.29Å; A29-T33 WeakPolarHBondContact O-CB 3.38Å; A29-T33 PolarHBondContact O-N 2.92Å; A29-T33 PolarHBondContact O-OG1 3.07Å; A30-T33 PolarHBondContact O-N 3.24Å; T33-W41 HydrophobicContact CG2-CZ2 4.33Å; T33-V57 WeakPolarHBondContact OG1-CA 3.36Å; T33-K58 HydrophobicContact CG2-CG 4.29Å; T33-K58 PolarHBondContact OG1-N 2.7Å; T33-K58 VanDerWaalsContact OG1-N 3.09Å; T33-L78 HydrophobicContact CG2-CD2 4.35Å
34Q91.8Very high94.9Very high117 Ų11768.3 Ų68.355%0.54735%0.354SS..  trans5054.3-177.4-61.5-72.3-39.300112.3A30 I31 L61A30-Q34 PolarHBondContact O-N 2.9Å; I31-Q34 PolarHBondContact O-NE2 3.06Å; Q34-L61 HydrophobicContact CG-CD1 3.52Å
35P91.1Very high94.9Very high25 Ų2563.3 Ų63.316%0.16233%0.331CS..  trans-64.7139.3-177.729.4-35.2000111.1D37 L38 W41P35-D37 VanDerWaalsContact C-N 3.29Å; P35-D37 PolarHBondContact O-N 3.18Å; P35-L38 HydrophobicContact CG-CD1 4.03Å; P35-W41 HydrophobicContact CB-CB 3.57Å; P35-W41 HydrophobicContact CB-CD2 4.18Å; P35-W41 HydrophobicContact CB-CG 3.59Å; P35-W41 HydrophobicContact CG-CB 3.95Å; P35-W41 HydrophobicContact CG-CD2 3.9Å; P35-W41 HydrophobicContact CG-CE3 4.11Å; P35-W41 HydrophobicContact CG-CG 3.83Å
36K89.9Confident94.9Very high131 Ų13163.9 Ų63.957%0.5733%0.326SS*.SBendtrans-62.2-37.6175.7-68.7-171.2177.8-170.30111.8D71 C105K36-D71 IonicContact NZ-OD1 3.89Å; K36-D71 PolarHBondContact NZ-OD1 2.94Å; K36-D71 IonicContact NZ-OD2 3.4Å; K36-C105 HydrophobicContact CB-CB 4.34Å
37D93.6Very high94.9Very high71 Ų7167.3 Ų67.338%0.3834%0.343SS..  trans-120.7107.1173.3-176.4-26.6000109.7P35 L39 Q40 W41 C105P35-D37 VanDerWaalsContact C-N 3.29Å; P35-D37 PolarHBondContact O-N 3.18Å; D37-L39 PolarHBondContact OD1-N 3.26Å; D37-Q40 HydrophobicContact CB-CB 4.07Å; D37-Q40 PolarHBondContact OD1-N 2.84Å; D37-W41 VanDerWaalsContact O-CB 3.25Å; D37-W41 WeakPolarHBondContact O-CB 3.39Å; D37-W41 PolarHBondContact O-N 3.21Å; D37-W41 VanDerWaalsContact O-N 3.12Å; D37-C105 HydrophobicContact CB-CB 4.45Å; D37-C105 PolarHBondContact O-SG 3.09Å
38L94.7Very high94.8Very high93 Ų9364 Ų6449%0.48732%0.323SS..Hα-helixtrans-68.5-33.2-178.7-177.562.8000112.6F26 A30 P35 W41 C42F26-L38 HydrophobicContact CZ-CD1 4.18Å; A30-L38 HydrophobicContact CB-CD1 4Å; P35-L38 HydrophobicContact CG-CD1 4.03Å; L38-W41 HydrophobicContact CD1-CE3 4.04Å; L38-W41 HydrophobicContact CD1-CZ3 4.44Å; L38-C42 WeakPolarHBondContact O-CB 3.43Å; L38-C42 PolarHBondContact O-N 3.45Å
39L95.7Very high94.7Very high142 Ų14261.8 Ų61.874%0.74332%0.316SS*.Hα-helixtrans-73.3-45.8-176.2-177.263000110.7D37 C42 S43D37-L39 PolarHBondContact OD1-N 3.26Å; L39-C42 WeakPolarHBondContact O-CB 3.38Å; L39-C42 PolarHBondContact O-N 3.11Å; L39-S43 PolarHBondContact O-N 2.98Å; L39-S43 VanDerWaalsContact O-N 3.08Å
40Q94.7Very high94.7Very high88 Ų8865.8 Ų65.841%0.41135%0.349SS..Hα-helixtrans-60.5-48174.1-179.8171.2-67.100111.1D37 C42 S43 A44 K102D37-Q40 HydrophobicContact CB-CB 4.07Å; D37-Q40 PolarHBondContact OD1-N 2.84Å; Q40-C42 VanDerWaalsContact C-N 3.33Å; Q40-C42 PolarHBondContact O-N 3.29Å; Q40-S43 WeakPolarHBondContact O-CB 3.47Å; Q40-S43 PolarHBondContact O-N 3.43Å; Q40-A44 PolarHBondContact O-N 3.43Å; Q40-A44 VanDerWaalsContact O-N 3.15Å; Q40-K102 PolarHBondContact NE2-O 3.23Å
41W97.4Very high94.7Very high0 Ų070.9 Ų70.90%037%0.369CS..Hα-helixtrans-63.3-38.5178-178.783.7000112.3F26 A29 A30 T33 P35 D37 L38 S43 A44 Y45 P56 V57F26-W41 AromaticContact CD2-CZ3 3.93Å; F26-W41 HydrophobicContact CD2-CZ3 3.93Å; F26-W41 HydrophobicContact CE2-CE3 4.04Å; F26-W41 HydrophobicContact CE2-CH2 4.48Å; F26-W41 AromaticContact CE2-CZ3 3.48Å; F26-W41 HydrophobicContact CE2-CZ3 3.48Å; F26-W41 VanDerWaalsContact CE2-CZ3 3.48Å; F26-W41 HydrophobicContact CZ-CZ3 4.15Å; A29-W41 HydrophobicContact CB-CH2 3.73Å; A29-W41 HydrophobicContact CB-CZ2 4.26Å; A30-W41 HydrophobicContact CB-CH2 4.11Å; A30-W41 HydrophobicContact CB-CZ3 3.73Å; T33-W41 HydrophobicContact CG2-CZ2 4.33Å; P35-W41 HydrophobicContact CB-CB 3.57Å; P35-W41 HydrophobicContact CB-CD2 4.18Å; P35-W41 HydrophobicContact CB-CG 3.59Å; P35-W41 HydrophobicContact CG-CB 3.95Å; P35-W41 HydrophobicContact CG-CD2 3.9Å; P35-W41 HydrophobicContact CG-CE3 4.11Å; P35-W41 HydrophobicContact CG-CG 3.83Å; D37-W41 VanDerWaalsContact O-CB 3.25Å; D37-W41 WeakPolarHBondContact O-CB 3.39Å; D37-W41 PolarHBondContact O-N 3.21Å; D37-W41 VanDerWaalsContact O-N 3.12Å; L38-W41 HydrophobicContact CD1-CE3 4.04Å; L38-W41 HydrophobicContact CD1-CZ3 4.44Å; W41-S43 PolarHBondContact O-N 2.77Å; W41-A44 PolarHBondContact O-N 2.94Å; W41-Y45 AromaticContact CH2-CD2 3.73Å; W41-Y45 HydrophobicContact CH2-CD2 3.73Å; W41-Y45 HydrophobicContact CH2-CE2 4.33Å; W41-Y45 HydrophobicContact CH2-CG 4.18Å; W41-Y45 AromaticContact CZ2-CD2 3.93Å; W41-Y45 HydrophobicContact CZ2-CD2 3.93Å; W41-Y45 HydrophobicContact CZ3-CD2 4.42Å; W41-Y45 HydrophobicContact CZ3-CG 4.43Å; W41-Y45 WeakPolarHBondContact O-CB 3.42Å; W41-Y45 PolarHBondContact O-N 3.48Å; W41-P56 PolarHBondContact NE1-O 3.08Å; W41-V57 HydrophobicContact CZ2-CG2 4.06Å
42C96.8Very high94.6Very high31 Ų3169.6 Ų69.621%0.20938%0.379CS..Hα-helixtrans-59.5-46.1176.1176.60000111.8F26 L38 L39 Q40 A44 Y45 F46F26-C42 HydrophobicContact CE2-CB 3.88Å; F26-C42 HydrophobicContact CZ-CB 4Å; L38-C42 WeakPolarHBondContact O-CB 3.43Å; L38-C42 PolarHBondContact O-N 3.45Å; L39-C42 WeakPolarHBondContact O-CB 3.38Å; L39-C42 PolarHBondContact O-N 3.11Å; Q40-C42 VanDerWaalsContact C-N 3.33Å; Q40-C42 PolarHBondContact O-N 3.29Å; C42-A44 VanDerWaalsContact C-N 3.34Å; C42-A44 PolarHBondContact O-N 2.83Å; C42-Y45 PolarHBondContact O-N 3.32Å; C42-F46 WeakPolarHBondContact O-CD2 3.15Å; C42-F46 PolarHBondContact O-N 2.98Å; C42-F46 VanDerWaalsContact SG-CD2 3.57Å; C42-F46 VanDerWaalsContact SG-CE2 3.59Å
43S96.4Very high94.6Very high85 Ų8568.3 Ų68.359%0.59438%0.378SS*.Hα-helixtrans-56.7-48.3174.3-178.20000111.3L39 Q40 W41 Y45 H47L39-S43 PolarHBondContact O-N 2.98Å; L39-S43 VanDerWaalsContact O-N 3.08Å; Q40-S43 WeakPolarHBondContact O-CB 3.47Å; Q40-S43 PolarHBondContact O-N 3.43Å; W41-S43 PolarHBondContact O-N 2.77Å; S43-Y45 PolarHBondContact O-N 3.34Å; S43-H47 VanDerWaalsContact O-CB 3.24Å; S43-H47 WeakPolarHBondContact O-CB 3.14Å; S43-H47 PolarHBondContact O-N 2.95Å
44A95.9Very high94.5Very high21 Ų2171 Ų7117%0.17440%0.396CS..Hα-helixtrans-64-40.4178.100000113.2Q40 W41 C42 A48 P56 A103Q40-A44 PolarHBondContact O-N 3.43Å; Q40-A44 VanDerWaalsContact O-N 3.15Å; W41-A44 PolarHBondContact O-N 2.94Å; C42-A44 VanDerWaalsContact C-N 3.34Å; C42-A44 PolarHBondContact O-N 2.83Å; A44-A48 WeakPolarHBondContact O-CB 3.37Å; A44-A48 PolarHBondContact O-N 2.94Å; A44-P56 HydrophobicContact CB-CG 4.37Å; A44-A103 HydrophobicContact CB-CB 3.59Å
45Y97.4Very high94.7Very high11 Ų1167.9 Ų67.94%0.04338%0.383CS..Hα-helixtrans-61-53.1178.5176.6-88.1000111.6F26 A29 W41 C42 S43 H47 A48 L49 L55 V57F26-Y45 HydrophobicContact CB-CE1 4.1Å; F26-Y45 AromaticContact CD2-CD1 3.72Å; F26-Y45 HydrophobicContact CD2-CD1 3.72Å; F26-Y45 AromaticContact CD2-CE1 3.95Å; F26-Y45 HydrophobicContact CD2-CE1 3.95Å; F26-Y45 HydrophobicContact CD2-CG 4.22Å; F26-Y45 HydrophobicContact CE2-CD1 4.46Å; A29-Y45 HydrophobicContact CB-CD2 4.39Å; A29-Y45 HydrophobicContact CB-CE2 3.73Å; W41-Y45 AromaticContact CH2-CD2 3.73Å; W41-Y45 HydrophobicContact CH2-CD2 3.73Å; W41-Y45 HydrophobicContact CH2-CE2 4.33Å; W41-Y45 HydrophobicContact CH2-CG 4.18Å; W41-Y45 AromaticContact CZ2-CD2 3.93Å; W41-Y45 HydrophobicContact CZ2-CD2 3.93Å; W41-Y45 HydrophobicContact CZ3-CD2 4.42Å; W41-Y45 HydrophobicContact CZ3-CG 4.43Å; W41-Y45 WeakPolarHBondContact O-CB 3.42Å; W41-Y45 PolarHBondContact O-N 3.48Å; C42-Y45 PolarHBondContact O-N 3.32Å; S43-Y45 PolarHBondContact O-N 3.34Å; Y45-H47 VanDerWaalsContact C-N 3.35Å; Y45-H47 PolarHBondContact O-N 3.35Å; Y45-A48 PolarHBondContact O-N 3.38Å; Y45-L49 HydrophobicContact CE1-CD2 4.19Å; Y45-L49 WeakPolarHBondContact O-CB 3.38Å; Y45-L49 PolarHBondContact O-N 3.35Å; Y45-L55 HydrophobicContact CE2-CB 4.47Å; Y45-L55 HydrophobicContact CE2-CD1 3.83Å; Y45-V57 HydrophobicContact CD2-CG2 3.72Å; Y45-V57 HydrophobicContact CE2-CG2 3.62Å
46F97.4Very high94.8Very high74 Ų7466.8 Ų66.833%0.32538%0.376SS..Hα-helixtrans-70.8-31.8-178.1-77.4-67.9000112.5I22 F26 C42 L49 A50I22-F46 HydrophobicContact CG2-CE1 3.72Å; I22-F46 HydrophobicContact CG2-CZ 4.31Å; F26-F46 HydrophobicContact CB-CZ 4.12Å; F26-F46 HydrophobicContact CD2-CD2 4.49Å; F26-F46 AromaticContact CD2-CE2 3.63Å; F26-F46 HydrophobicContact CD2-CE2 3.63Å; F26-F46 AromaticContact CD2-CZ 3.88Å; F26-F46 HydrophobicContact CD2-CZ 3.88Å; F26-F46 AromaticContact CE2-CE2 3.89Å; F26-F46 HydrophobicContact CE2-CE2 3.89Å; F26-F46 HydrophobicContact CG-CE2 4.15Å; F26-F46 HydrophobicContact CG-CZ 4.03Å; C42-F46 WeakPolarHBondContact O-CD2 3.15Å; C42-F46 PolarHBondContact O-N 2.98Å; C42-F46 VanDerWaalsContact SG-CD2 3.57Å; C42-F46 VanDerWaalsContact SG-CE2 3.59Å; F46-L49 HydrophobicContact CD1-CD2 4.15Å; F46-L49 HydrophobicContact CE1-CD2 4.39Å; F46-L49 PolarHBondContact O-N 2.87Å; F46-A50 VanDerWaalsContact O-CB 3.3Å; F46-A50 WeakPolarHBondContact O-CB 3.3Å; F46-A50 PolarHBondContact O-N 2.99Å
47H96.1Very high95Very high104 Ų10461.9 Ų61.948%0.48136%0.357SS..Hα-helixtrans-65.1-44.6173.3-167.876.5000112S43 Y45 A50 K51S43-H47 VanDerWaalsContact O-CB 3.24Å; S43-H47 WeakPolarHBondContact O-CB 3.14Å; S43-H47 PolarHBondContact O-N 2.95Å; Y45-H47 VanDerWaalsContact C-N 3.35Å; Y45-H47 PolarHBondContact O-N 3.35Å; H47-A50 PolarHBondContact O-N 3.01Å; H47-K51 WeakPolarHBondContact NE2-CE 3.36Å; H47-K51 PolarHBondContact NE2-NZ 3.24Å; H47-K51 VanDerWaalsContact NE2-NZ 3.19Å; H47-K51 WeakPolarHBondContact O-CG 3.44Å; H47-K51 PolarHBondContact O-N 3.25Å
48A95.3Very high94.9Very high4 Ų459 Ų593%0.03334%0.341CS..Hα-helixtrans-63.1-43.1174.700000111.3A44 Y45 A50 K51 G52 E53 L55A44-A48 WeakPolarHBondContact O-CB 3.37Å; A44-A48 PolarHBondContact O-N 2.94Å; Y45-A48 PolarHBondContact O-N 3.38Å; A48-A50 PolarHBondContact O-N 3.14Å; A48-K51 PolarHBondContact O-N 3.02Å; A48-G52 PolarHBondContact O-N 2.9Å; A48-E53 HydrophobicContact CB-CB 4.19Å; A48-E53 PolarHBondContact O-N 3.3Å; A48-L55 HydrophobicContact CB-CD2 3.92Å
49L95.4Very high94.4Very high77 Ų7759 Ų5940%0.40334%0.338SS..Hα-helixtrans-61.1-45.2177.5-17665.2000112Y45 F46 K51 G52 L55Y45-L49 HydrophobicContact CE1-CD2 4.19Å; Y45-L49 WeakPolarHBondContact O-CB 3.38Å; Y45-L49 PolarHBondContact O-N 3.35Å; F46-L49 HydrophobicContact CD1-CD2 4.15Å; F46-L49 HydrophobicContact CE1-CD2 4.39Å; F46-L49 PolarHBondContact O-N 2.87Å; L49-K51 VanDerWaalsContact C-N 3.25Å; L49-K51 PolarHBondContact O-N 3.12Å; L49-G52 PolarHBondContact O-N 3.37Å; L49-L55 HydrophobicContact CB-CD2 3.86Å; L49-L55 HydrophobicContact CD1-CD2 4.27Å
50A95.8Very high93.9Very high90 Ų9058.4 Ų58.474%0.74433%0.326SS*.Hα-helixtrans-64.1-30.617900000112.8F46 H47 A48F46-A50 VanDerWaalsContact O-CB 3.3Å; F46-A50 WeakPolarHBondContact O-CB 3.3Å; F46-A50 PolarHBondContact O-N 2.99Å; H47-A50 PolarHBondContact O-N 3.01Å; A48-A50 PolarHBondContact O-N 3.14Å
51K94.2Very high93.3Very high124 Ų12458.6 Ų58.654%0.53933%0.33SS..Hα-helixtrans-89.9-6.8178.2-69.2-176.2173.2-1710114.4H47 A48 L49 E53H47-K51 WeakPolarHBondContact NE2-CE 3.36Å; H47-K51 PolarHBondContact NE2-NZ 3.24Å; H47-K51 VanDerWaalsContact NE2-NZ 3.19Å; H47-K51 WeakPolarHBondContact O-CG 3.44Å; H47-K51 PolarHBondContact O-N 3.25Å; A48-K51 PolarHBondContact O-N 3.02Å; L49-K51 VanDerWaalsContact C-N 3.25Å; L49-K51 PolarHBondContact O-N 3.12Å; K51-E53 HydrophobicContact CB-CG 3.92Å; K51-E53 WeakPolarHBondContact CD-OE1 3.48Å; K51-E53 IonicContact NZ-OE1 2.83Å; K51-E53 PolarHBondContact O-N 2.99Å
52G92.2Very high92.5Very high70 Ų7060.3 Ų60.372%0.72234%0.337SS*.THydrogen-bonded Turntrans67.423.1-172.400000113.7A48 L49A48-G52 PolarHBondContact O-N 2.9Å; L49-G52 PolarHBondContact O-N 3.37Å
53E91.9Very high91.3Very high73 Ų7367.2 Ų67.234%0.34137%0.369SS..PPolyproline II helixtrans-79.5163.1176.3-69.1179.8-157.900111.4A48 K51 L55 K100A48-E53 HydrophobicContact CB-CB 4.19Å; A48-E53 PolarHBondContact O-N 3.3Å; K51-E53 HydrophobicContact CB-CG 3.92Å; K51-E53 WeakPolarHBondContact CD-OE1 3.48Å; K51-E53 IonicContact NZ-OE1 2.83Å; K51-E53 PolarHBondContact O-N 2.99Å; E53-L55 PolarHBondContact O-N 3.08Å; E53-K100 IonicContact OE2-NZ 3.97Å; E53-K100 PolarHBondContact OE2-NZ 3.47Å
54C91.9Very high89.5Confident61 Ų6168.7 Ų68.741%0.41237%0.37SS..PPolyproline II helixtrans-61.3122172.3-171.70000110.3Q85C54-Q85 HydrophobicContact CB-CG 4.01Å; C54-Q85 PolarHBondContact O-NE2 3.02Å
55L94.4Very high87.5Confident51 Ų5172.9 Ų72.927%0.26739%0.393SS..PPolyproline II helixtrans-70146.3-173.7-56.3177.5000111.7Y45 A48 L49 E53 V57Y45-L55 HydrophobicContact CE2-CB 4.47Å; Y45-L55 HydrophobicContact CE2-CD1 3.83Å; A48-L55 HydrophobicContact CB-CD2 3.92Å; L49-L55 HydrophobicContact CB-CD2 3.86Å; L49-L55 HydrophobicContact CD1-CD2 4.27Å; E53-L55 PolarHBondContact O-N 3.08Å; L55-V57 HydrophobicContact CB-CB 4.41Å; L55-V57 HydrophobicContact CB-CG2 3.61Å; L55-V57 HydrophobicContact CD1-CG2 4.47Å; L55-V57 PolarHBondContact O-N 3.44Å
56P93.8Very high85.1Confident2 Ų277.3 Ų77.31%0.01343%0.432CS..SBendtrans-76.256.4177.833.1-36.3000111.9W41 A44 L104W41-P56 PolarHBondContact NE1-O 3.08Å; A44-P56 HydrophobicContact CB-CG 4.37Å; P56-L104 HydrophobicContact CB-CD2 3.67Å
57V94.1Very high82.5Confident28 Ų2878.8 Ų78.817%0.1745%0.447CS..  trans-124129.1-168.3-174.80000111A29 T33 W41 Y45 L55 I81A29-V57 HydrophobicContact CB-CB 4.34Å; A29-V57 HydrophobicContact CB-CG1 3.55Å; A29-V57 HydrophobicContact CB-CG2 3.75Å; T33-V57 WeakPolarHBondContact OG1-CA 3.36Å; W41-V57 HydrophobicContact CZ2-CG2 4.06Å; Y45-V57 HydrophobicContact CD2-CG2 3.72Å; Y45-V57 HydrophobicContact CE2-CG2 3.62Å; L55-V57 HydrophobicContact CB-CB 4.41Å; L55-V57 HydrophobicContact CB-CG2 3.61Å; L55-V57 HydrophobicContact CD1-CG2 4.47Å; L55-V57 PolarHBondContact O-N 3.44Å; V57-I81 VanDerWaalsContact C-CD1 3.4Å; V57-I81 WeakPolarHBondContact O-CG1 3.38Å
58K90.8Very high80.1Confident9 Ų981.3 Ų81.34%0.03946%0.46CS..  trans-66.1144.8173.6-69.4-173.1-176.8-168.80111.2R32 T33 R60 E62 T75 L78 I81R32-K58 VanDerWaalsContact CZ-O 3.22Å; R32-K58 PolarHBondContact NE-O 3.14Å; R32-K58 PolarHBondContact NH2-O 2.9Å; T33-K58 HydrophobicContact CG2-CG 4.29Å; T33-K58 PolarHBondContact OG1-N 2.7Å; T33-K58 VanDerWaalsContact OG1-N 3.09Å; K58-R60 VanDerWaalsContact C-N 3.26Å; K58-R60 WeakPolarHBondContact CB-O 3.38Å; K58-R60 PolarHBondContact O-N 3.37Å; K58-E62 IonicContact NZ-OE2 3.54Å; K58-E62 PolarHBondContact NZ-OE2 2.84Å; K58-T75 WeakPolarHBondContact CE-OG1 3.35Å; K58-T75 PolarHBondContact NZ-OG1 3.04Å; K58-L78 HydrophobicContact CD-CD2 4.46Å; K58-L78 HydrophobicContact CG-CD2 4.28Å; K58-I81 HydrophobicContact CB-CD1 4.44Å; K58-I81 HydrophobicContact CG-CD1 3.8Å
59E85.5Confident77.8Confident93 Ų9390.8 Ų90.844%0.43550%0.5SS..SBendtrans-65.8-29.1174.3-72.1-174.1152.800113.4R32 K80 K84R32-E59 PolarHBondContact NE-O 2.69Å; R32-E59 PolarHBondContact NH1-O 3.26Å; R32-E59 VanDerWaalsContact NH1-O 3.15Å; R32-E59 PolarHBondContact NH2-O 3.46Å; E59-K80 WeakPolarHBondContact OE2-CE 3.4Å; E59-K80 IonicContact OE2-NZ 2.69Å; E59-K80 PolarHBondContact OE2-NZ 3.33Å; E59-K84 IonicContact OE1-NZ 3.32Å; E59-K84 PolarHBondContact OE1-NZ 3.44Å
60R83.9Confident75.7Confident130 Ų13092 Ų9249%0.49151%0.51SS..SBendtrans-153.3162.5-179.960-174.6-176.9126.85.4109.8K58 E157K58-R60 VanDerWaalsContact C-N 3.26Å; K58-R60 WeakPolarHBondContact CB-O 3.38Å; K58-R60 PolarHBondContact O-N 3.37Å; R60-E157 VanDerWaalsContact CD-OE1 3.29Å; R60-E157 WeakPolarHBondContact CD-OE1 3.49Å; R60-E157 IonicContact CZ-OE1 2.71Å; R60-E157 IonicContact NE-OE1 3.97Å; R60-E157 PolarHBondContact NE-OE1 3.27Å; R60-E157 IonicContact NE-OE2 3.9Å; R60-E157 IonicContact NH1-OE1 2.74Å; R60-E157 PolarHBondContact NH1-OE1 3.49Å; R60-E157 IonicContact NH2-OE1 2.55Å
61L83.2Confident74.1Confident93 Ų9394.2 Ų94.249%0.48751%0.51SS..  trans-71.6129.9169.6177.664.2000108.7Q34Q34-L61 HydrophobicContact CG-CD1 3.52Å
62E80.9Confident72.9Confident35 Ų3589.9 Ų89.916%0.16449%0.494CS..  trans-101129.7173-64.4175.1143.600108.7K58 N64 T75 G77K58-E62 IonicContact NZ-OE2 3.54Å; K58-E62 PolarHBondContact NZ-OE2 2.84Å; E62-N64 PolarHBondContact O-N 3.37Å; E62-T75 VanDerWaalsContact OE2-CB 3.27Å; E62-T75 WeakPolarHBondContact OE2-CB 3.37Å; E62-T75 PolarHBondContact OE2-OG1 3.15Å; E62-G77 WeakPolarHBondContact OE1-CA 3.27Å; E62-G77 PolarHBondContact OE1-N 3.24Å; E62-G77 PolarHBondContact OE2-N 3.41Å
63M69.9Low72.3Confident177 Ų17787.3 Ų87.387%0.87247%0.468SS*.  trans-73.5106.1164.6-76.5168.6151.300106.7V65M63-V65 VanDerWaalsContact C-N 3.32Å; M63-V65 PolarHBondContact O-N 3.24Å
64N59.4Low72.2Confident115 Ų11584.3 Ų84.362%0.61545%0.454SS*.  trans-62.698.6171.9-65.4-18.6000107.4E62 A66E62-N64 PolarHBondContact O-N 3.37Å; N64-A66 PolarHBondContact O-N 2.84Å
65V53.2Low72.2Confident109 Ų10982 Ų8266%0.66144%0.438SS*.  trans-71.9105.2170.5-169.20000104.5M63 T67M63-V65 VanDerWaalsContact C-N 3.32Å; M63-V65 PolarHBondContact O-N 3.24Å; V65-T67 HydrophobicContact CG1-CG2 3.55Å; V65-T67 PolarHBondContact O-N 3.13Å; V65-T67 PolarHBondContact O-OG1 3.32Å
66A47.9Very low72.1Confident105 Ų10581.5 Ų81.587%0.86844%0.437SS*.  trans-68.662.5175.800000109.8N64N64-A66 PolarHBondContact O-N 2.84Å
67T43.3Very low72Confident104 Ų10481.9 Ų81.964%0.63844%0.442SS*.  trans-101.393.317640.20000108.5V65V65-T67 HydrophobicContact CG1-CG2 3.55Å; V65-T67 PolarHBondContact O-N 3.13Å; V65-T67 PolarHBondContact O-OG1 3.32Å
68Q44.9Very low72Confident158 Ų15881.1 Ų81.174%0.73844%0.437SS*.SBendtrans86112.9152.9-47.8-153.637.200119.2T70Q68-T70 PolarHBondContact O-N 3.41Å
69K47.3Very low72.2Confident202 Ų20280.7 Ų80.788%0.87844%0.435SS*.SBendtrans64.1-13.3142.3-66.3-175.3178.6177.50121.9
70T51.4Low72.6Confident102 Ų10278.9 Ų78.963%0.62643%0.426SS*.  trans-138.6106.9168.954.60000110.8Q68 T72Q68-T70 PolarHBondContact O-N 3.41Å; T70-T72 PolarHBondContact O-N 3.02Å
71D61.2Low73.1Confident138 Ų13873.1 Ų73.174%0.73840%0.404SS*.  trans-7472.2167.4177.723.5000108.4K36 G73K36-D71 IonicContact NZ-OD1 3.89Å; K36-D71 PolarHBondContact NZ-OD1 2.94Å; K36-D71 IonicContact NZ-OD2 3.4Å; D71-G73 PolarHBondContact O-N 2.69Å; D71-G73 PolarHBondContact OD1-N 3.19Å
72T69.2Low73.7Confident33 Ų3368.7 Ų68.720%0.20238%0.381CS..  trans-65.7-23.8174.359.80000110.7T70 L74 P107 Q110T70-T72 PolarHBondContact O-N 3.02Å; T72-L74 PolarHBondContact O-N 2.83Å; T72-P107 WeakPolarHBondContact O-CD 3.41Å; T72-Q110 PolarHBondContact O-OE1 3.03Å
73G80.9Confident74.3Confident16 Ų1668.5 Ų68.517%0.16538%0.38CS..  trans71.1-12-173.500000114D71 L78 L106D71-G73 PolarHBondContact O-N 2.69Å; D71-G73 PolarHBondContact OD1-N 3.19Å; G73-L78 WeakPolarHBondContact O-CD1 3.49Å; G73-L106 WeakPolarHBondContact O-CD2 3.39Å
74L89.7Confident75.4Confident9 Ų964.3 Ų64.35%0.04736%0.357CS..  trans-72.9134170.6-173.267.5000109.3T72 L78 L79 W101 L106 L137T72-L74 PolarHBondContact O-N 2.83Å; L74-L78 HydrophobicContact CD1-CB 4.31Å; L74-L79 HydrophobicContact CD1-CB 4.3Å; L74-W101 HydrophobicContact CD1-CH2 4Å; L74-W101 HydrophobicContact CD1-CZ3 4.27Å; L74-W101 HydrophobicContact CD2-CH2 4.2Å; L74-L106 HydrophobicContact CB-CD2 4.28Å; L74-L106 HydrophobicContact CD1-CD1 3.83Å; L74-L106 HydrophobicContact CD1-CD2 4.17Å; L74-L137 HydrophobicContact CB-CD2 4.36Å; L74-L137 HydrophobicContact CD2-CD2 4.3Å; L74-L137 HydrophobicContact CD2-CG 4.22Å; L74-L137 HydrophobicContact CG-CD2 4.07Å; L74-L137 HydrophobicContact CG-CG 4.46Å; L74-L137 WeakPolarHBondContact O-CD2 3.4Å
75T91.4Very high76.9Confident14 Ų1460 Ų609%0.08633%0.333CS..  trans-126.3159.7173.378.50000109.6K58 E62 G77 L78 L79K58-T75 WeakPolarHBondContact CE-OG1 3.35Å; K58-T75 PolarHBondContact NZ-OG1 3.04Å; E62-T75 VanDerWaalsContact OE2-CB 3.27Å; E62-T75 WeakPolarHBondContact OE2-CB 3.37Å; E62-T75 PolarHBondContact OE2-OG1 3.15Å; T75-G77 PolarHBondContact O-N 3.13Å; T75-L78 HydrophobicContact CG2-CD1 4.43Å; T75-L78 PolarHBondContact O-N 3.47Å; T75-L78 PolarHBondContact OG1-N 2.92Å; T75-L79 PolarHBondContact O-N 3.09Å
76P91.7Very high78.7Confident39 Ų3954.9 Ų54.925%0.25330%0.302SS..Hα-helixtrans-53-41176.1-26.134.7000112.5L78 L79 K80 L137 I151P76-L78 PolarHBondContact O-N 3.21Å; P76-L79 PolarHBondContact O-N 3.49Å; P76-K80 WeakPolarHBondContact O-CB 3.35Å; P76-K80 PolarHBondContact O-N 3.4Å; P76-L137 HydrophobicContact CB-CD1 4.44Å; P76-L137 HydrophobicContact CG-CD1 4.16Å; P76-I151 HydrophobicContact CB-CD1 4.27Å; P76-I151 HydrophobicContact CB-CG1 4.4Å
77G91.9Very high80.5Confident10 Ų1052.2 Ų52.210%0.10328%0.277CS..Hα-helixtrans-65.6-35.3176.600000114.1E62 T75 I81E62-G77 WeakPolarHBondContact OE1-CA 3.27Å; E62-G77 PolarHBondContact OE1-N 3.24Å; E62-G77 PolarHBondContact OE2-N 3.41Å; T75-G77 PolarHBondContact O-N 3.13Å; G77-I81 VanDerWaalsContact O-CG1 3.3Å; G77-I81 WeakPolarHBondContact O-CG1 3.39Å; G77-I81 PolarHBondContact O-N 3.27Å; G77-I81 VanDerWaalsContact O-N 3.14Å
78L93.8Very high82.4Confident13 Ų1352.3 Ų52.37%0.06828%0.279CS..Hα-helixtrans-69.7-41.8173.4-65.6-179.4000111.2T33 K58 G73 L74 T75 P76 K80 I81 L82 L104 L106T33-L78 HydrophobicContact CG2-CD2 4.35Å; K58-L78 HydrophobicContact CD-CD2 4.46Å; K58-L78 HydrophobicContact CG-CD2 4.28Å; G73-L78 WeakPolarHBondContact O-CD1 3.49Å; L74-L78 HydrophobicContact CD1-CB 4.31Å; T75-L78 HydrophobicContact CG2-CD1 4.43Å; T75-L78 PolarHBondContact O-N 3.47Å; T75-L78 PolarHBondContact OG1-N 2.92Å; P76-L78 PolarHBondContact O-N 3.21Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.33Å; L78-I81 HydrophobicContact CD2-CD1 4.06Å; L78-I81 WeakPolarHBondContact O-CB 3.33Å; L78-I81 PolarHBondContact O-N 3.44Å; L78-I81 VanDerWaalsContact O-N 3.16Å; L78-L82 PolarHBondContact O-N 3.38Å; L78-L82 VanDerWaalsContact O-N 3.08Å; L78-L104 HydrophobicContact CB-CD1 4.3Å; L78-L104 HydrophobicContact CD2-CB 4.42Å; L78-L104 HydrophobicContact CD2-CD1 4.41Å; L78-L104 HydrophobicContact CD2-CD2 4.22Å; L78-L106 HydrophobicContact CD1-CD2 3.65Å; L78-L106 HydrophobicContact CD1-CG 4.37Å
79L94.8Very high83.9Confident0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-64.3-36.1175.7-171.459.8000111.8L74 T75 P76 I81 L82 H83 F130 L137 I151L74-L79 HydrophobicContact CD1-CB 4.3Å; T75-L79 PolarHBondContact O-N 3.09Å; P76-L79 PolarHBondContact O-N 3.49Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-I81 PolarHBondContact O-N 2.8Å; L79-L82 HydrophobicContact CD1-CD1 4.34Å; L79-L82 PolarHBondContact O-N 2.9Å; L79-H83 WeakPolarHBondContact O-CB 3.45Å; L79-H83 PolarHBondContact O-N 2.9Å; L79-F130 HydrophobicContact CD1-CD2 4.11Å; L79-F130 HydrophobicContact CD2-CD2 4.21Å; L79-F130 HydrophobicContact CD2-CE2 4.02Å; L79-F130 HydrophobicContact CG-CD2 3.93Å; L79-F130 HydrophobicContact CG-CE2 3.85Å; L79-L137 HydrophobicContact CB-CD1 4.46Å; L79-L137 HydrophobicContact CD2-CD1 3.81Å; L79-I151 HydrophobicContact CB-CD1 4.13Å; L79-I151 HydrophobicContact CD2-CD1 3.84Å; L79-I151 HydrophobicContact CG-CD1 4.15Å
80K94.4Very high85.3Confident55 Ų5548 Ų4824%0.23926%0.261CS..Hα-helixtrans-62.7-38.2172.3-170.6171.3-166-174.70112.5E59 P76 L78 H83 K84 I151E59-K80 WeakPolarHBondContact OE2-CE 3.4Å; E59-K80 IonicContact OE2-NZ 2.69Å; E59-K80 PolarHBondContact OE2-NZ 3.33Å; P76-K80 WeakPolarHBondContact O-CB 3.35Å; P76-K80 PolarHBondContact O-N 3.4Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3.33Å; K80-H83 PolarHBondContact O-N 3.21Å; K80-K84 WeakPolarHBondContact O-CG 3.39Å; K80-K84 PolarHBondContact O-N 3.46Å; K80-I151 HydrophobicContact CB-CG2 3.78Å; K80-I151 HydrophobicContact CG-CG2 3.97Å
81I94.4Very high87Confident8 Ų846.8 Ų46.84%0.04125%0.254CS..Hα-helixtrans-63.3-48.2174.2-66.2162.5000110.3V57 K58 G77 L78 L79 H83 K84 Q85 L104V57-I81 VanDerWaalsContact C-CD1 3.4Å; V57-I81 WeakPolarHBondContact O-CG1 3.38Å; K58-I81 HydrophobicContact CB-CD1 4.44Å; K58-I81 HydrophobicContact CG-CD1 3.8Å; G77-I81 VanDerWaalsContact O-CG1 3.3Å; G77-I81 WeakPolarHBondContact O-CG1 3.39Å; G77-I81 PolarHBondContact O-N 3.27Å; G77-I81 VanDerWaalsContact O-N 3.14Å; L78-I81 HydrophobicContact CD2-CD1 4.06Å; L78-I81 WeakPolarHBondContact O-CB 3.33Å; L78-I81 PolarHBondContact O-N 3.44Å; L78-I81 VanDerWaalsContact O-N 3.16Å; L79-I81 VanDerWaalsContact C-N 3.35Å; L79-I81 PolarHBondContact O-N 2.8Å; I81-H83 VanDerWaalsContact C-N 3.27Å; I81-H83 PolarHBondContact O-N 2.82Å; I81-K84 PolarHBondContact O-N 3.42Å; I81-Q85 HydrophobicContact CG2-CG 4.39Å; I81-Q85 WeakPolarHBondContact O-CG 3.45Å; I81-Q85 PolarHBondContact O-N 3.12Å; I81-L104 HydrophobicContact CB-CD1 4.3Å; I81-L104 HydrophobicContact CD1-CD2 4.05Å; I81-L104 HydrophobicContact CG2-CD1 4.24Å; I81-L104 HydrophobicContact CG2-CD2 3.97Å
82L95Very high88.4Confident0 Ų040.4 Ų40.40%022%0.219CC..Hα-helixtrans-58.2-44.4177.2-65.8172.4000110.7L78 L79 K84 Q85 L86 K100 W101 L104 L106 W126L78-L82 PolarHBondContact O-N 3.38Å; L78-L82 VanDerWaalsContact O-N 3.08Å; L79-L82 HydrophobicContact CD1-CD1 4.34Å; L79-L82 PolarHBondContact O-N 2.9Å; L82-K84 PolarHBondContact O-N 3.28Å; L82-Q85 PolarHBondContact O-N 3Å; L82-Q85 VanDerWaalsContact O-N 3.09Å; L82-L86 WeakPolarHBondContact O-CB 3.18Å; L82-L86 PolarHBondContact O-N 3.24Å; L82-K100 HydrophobicContact CD2-CB 3.78Å; L82-W101 HydrophobicContact CD1-CE3 3.54Å; L82-W101 HydrophobicContact CD1-CZ3 3.7Å; L82-L104 HydrophobicContact CD1-CD1 4.29Å; L82-L104 HydrophobicContact CD2-CD1 3.59Å; L82-L104 HydrophobicContact CG-CD1 3.58Å; L82-L106 HydrophobicContact CD1-CD1 4.27Å; L82-W126 VanDerWaalsContact C-CZ2 3.46Å; L82-W126 HydrophobicContact CB-CH2 3.57Å; L82-W126 HydrophobicContact CB-CZ2 3.94Å
83H94.8Very high89.6Confident32 Ų3240.6 Ų40.615%0.14822%0.222CC..Hα-helixtrans-57.3-48.1176.7-176.182.2000111.3L79 K80 I81 Q85 L86 S87 W126 F130 L152L79-H83 WeakPolarHBondContact O-CB 3.45Å; L79-H83 PolarHBondContact O-N 2.9Å; K80-H83 PolarHBondContact O-N 3.21Å; I81-H83 VanDerWaalsContact C-N 3.27Å; I81-H83 PolarHBondContact O-N 2.82Å; H83-Q85 VanDerWaalsContact C-N 3.27Å; H83-Q85 PolarHBondContact O-N 3.17Å; H83-L86 PolarHBondContact O-N 3.45Å; H83-S87 VanDerWaalsContact CE1-CB 3.46Å; H83-S87 WeakPolarHBondContact CE1-CB 3.01Å; H83-S87 WeakPolarHBondContact O-CA 3.4Å; H83-S87 WeakPolarHBondContact O-CB 3.41Å; H83-S87 PolarHBondContact O-N 2.95Å; H83-S87 PolarHBondContact O-OG 2.91Å; H83-W126 VanDerWaalsContact CA-CZ2 3.43Å; H83-W126 HydrophobicContact CB-CZ2 4.14Å; H83-W126 AromaticContact CE1-NE1 3.98Å; H83-W126 AromaticContact CG-NE1 3.89Å; H83-W126 AromaticContact ND1-NE1 3.21Å; H83-W126 PolarHBondContact ND1-NE1 2.84Å; H83-F130 HydrophobicContact CB-CD2 4.2Å; H83-F130 HydrophobicContact CB-CE2 4.19Å; H83-L152 WeakPolarHBondContact CE1-CD2 3.37Å; H83-L152 WeakPolarHBondContact NE2-CD2 3.35Å
84K92.4Very high90.2Very high88 Ų8842.4 Ų42.438%0.38323%0.226SC..Hα-helixtrans-62.3-31.9176.8-71.5-177.2176.8-157.10114.3E59 K80 I81 L82E59-K84 IonicContact OE1-NZ 3.32Å; E59-K84 PolarHBondContact OE1-NZ 3.44Å; K80-K84 WeakPolarHBondContact O-CG 3.39Å; K80-K84 PolarHBondContact O-N 3.46Å; I81-K84 PolarHBondContact O-N 3.42Å; L82-K84 PolarHBondContact O-N 3.28Å
85Q91.1Very high90.4Very high24 Ų2447.5 Ų47.511%0.11225%0.249CC..Hα-helixtrans-81.7-29.3-177.8-74179.5-25.500113C54 I81 L82 H83 K100C54-Q85 HydrophobicContact CB-CG 4.01Å; C54-Q85 PolarHBondContact O-NE2 3.02Å; I81-Q85 HydrophobicContact CG2-CG 4.39Å; I81-Q85 WeakPolarHBondContact O-CG 3.45Å; I81-Q85 PolarHBondContact O-N 3.12Å; L82-Q85 PolarHBondContact O-N 3Å; L82-Q85 VanDerWaalsContact O-N 3.09Å; H83-Q85 VanDerWaalsContact C-N 3.27Å; H83-Q85 PolarHBondContact O-N 3.17Å; Q85-K100 HydrophobicContact CB-CD 4.49Å
86L91.3Very high90.5Very high3 Ų349.1 Ų49.12%0.01626%0.257CS..Hα-helixtrans-115.4-25.2-169.1-65.7169.4000113.3L82 H83 P88 K89 C92 D96 V97 K100 W126L82-L86 WeakPolarHBondContact O-CB 3.18Å; L82-L86 PolarHBondContact O-N 3.24Å; H83-L86 PolarHBondContact O-N 3.45Å; L86-P88 VanDerWaalsContact C-N 3.34Å; L86-K89 PolarHBondContact O-N 2.97Å; L86-C92 HydrophobicContact CD2-CB 4.43Å; L86-C92 PolarHBondContact O-SG 2.98Å; L86-D96 HydrophobicContact CD2-CB 4.35Å; L86-V97 HydrophobicContact CD1-CG2 4.2Å; L86-K100 HydrophobicContact CD1-CB 4.28Å; L86-K100 HydrophobicContact CD1-CG 4.39Å; L86-K100 HydrophobicContact CD2-CG 4.06Å; L86-K100 HydrophobicContact CG-CG 4.3Å; L86-W126 HydrophobicContact CB-CD2 3.6Å; L86-W126 HydrophobicContact CB-CE3 3.62Å; L86-W126 HydrophobicContact CB-CG 4.26Å; L86-W126 HydrophobicContact CB-CH2 4.22Å; L86-W126 HydrophobicContact CB-CZ2 4.16Å; L86-W126 HydrophobicContact CB-CZ3 3.94Å; L86-W126 HydrophobicContact CD1-CD2 4.47Å; L86-W126 HydrophobicContact CD1-CE3 3.7Å; L86-W126 HydrophobicContact CD1-CH2 3.67Å; L86-W126 HydrophobicContact CD1-CZ2 4.4Å; L86-W126 HydrophobicContact CD1-CZ3 3.23Å; L86-W126 HydrophobicContact CG-CE3 4.28Å; L86-W126 HydrophobicContact CG-CZ3 4.21Å
87S86.7Confident90.6Very high48 Ų4847.3 Ų47.334%0.33625%0.245SC..THydrogen-bonded Turntrans-60.9-24.7178.774.40000116.7H83 K89H83-S87 VanDerWaalsContact CE1-CB 3.46Å; H83-S87 WeakPolarHBondContact CE1-CB 3.01Å; H83-S87 WeakPolarHBondContact O-CA 3.4Å; H83-S87 WeakPolarHBondContact O-CB 3.41Å; H83-S87 PolarHBondContact O-N 2.95Å; H83-S87 PolarHBondContact O-OG 2.91Å; S87-K89 PolarHBondContact O-N 3.5Å; S87-K89 VanDerWaalsContact O-N 3.14Å
88P82.3Confident90.8Very high106 Ų10648.8 Ų48.869%0.68825%0.25SC*.THydrogen-bonded Turntrans-62.5-17.5172.4-24.335.6000113.3L86L86-P88 VanDerWaalsContact C-N 3.34Å
89K76.4Confident90.8Very high100 Ų10053.3 Ų53.344%0.43527%0.274SS..SBendtrans-106.9118.5174.4-52.5-178.4-174.7-175.60108L86 S87 T91 D96L86-K89 PolarHBondContact O-N 2.97Å; S87-K89 PolarHBondContact O-N 3.5Å; S87-K89 VanDerWaalsContact O-N 3.14Å; K89-T91 WeakPolarHBondContact CB-O 3.45Å; K89-T91 PolarHBondContact O-N 3.5Å; K89-D96 IonicContact NZ-OD2 3.18Å; K89-D96 PolarHBondContact NZ-OD2 2.96Å
90E76.2Confident90.8Very high171 Ų17154.8 Ų54.880%0.79928%0.28SS*.SBendtrans-58.4-41176.7-172.6173.2-169.800111.3W126E90-W126 PolarHBondContact O-N 2.94Å
91T87.1Confident90.9Very high76 Ų7652.2 Ų52.247%0.46627%0.269SS..EExtended strand (participates in β ladder)trans-116.3138170.358.60000110.9K89 I124K89-T91 WeakPolarHBondContact CB-O 3.45Å; K89-T91 PolarHBondContact O-N 3.5Å; T91-I124 WeakPolarHBondContact CA-O 3.46Å
92C91.2Very high90.9Very high3 Ų356.4 Ų56.42%0.0229%0.287CS..EExtended strand (participates in β ladder)trans-117.3147.2176.6-67.90000110.2L86 V97 I124L86-C92 HydrophobicContact CD2-CB 4.43Å; L86-C92 PolarHBondContact O-SG 2.98Å; C92-V97 HydrophobicContact CB-CG2 3.97Å; C92-I124 PolarHBondContact N-O 3.37Å; C92-I124 PolarHBondContact O-N 3.19Å
93S93.8Very high90.8Very high38 Ų3857.1 Ų57.127%0.26629%0.293SS..EExtended strand (participates in β ladder)trans-75.3151.9171.483.20000110.8E95 D96 V97 S122S93-E95 VanDerWaalsContact CB-OE2 3.24Å; S93-E95 WeakPolarHBondContact CB-OE2 3.32Å; S93-E95 PolarHBondContact O-N 3.47Å; S93-E95 PolarHBondContact OG-OE2 3.28Å; S93-D96 PolarHBondContact O-N 3.39Å; S93-D96 VanDerWaalsContact O-N 3.14Å; S93-D96 PolarHBondContact OG-N 3.37Å; S93-V97 PolarHBondContact O-N 3.39Å; S93-V97 VanDerWaalsContact O-N 3.13Å; S93-S122 WeakPolarHBondContact CA-O 3.24Å
94K93.6Very high90.8Very high53 Ų5355.9 Ų55.923%0.2329%0.287CS..Hα-helixtrans-54.3-38174-179.2168.8175.3160.20111.8V97 Q98 E112 L115 S122 I124K94-V97 PolarHBondContact O-N 3.46Å; K94-Q98 HydrophobicContact CG-CG 4.29Å; K94-Q98 WeakPolarHBondContact O-CB 3.37Å; K94-Q98 VanDerWaalsContact O-CG 3.23Å; K94-Q98 WeakPolarHBondContact O-CG 3.13Å; K94-Q98 PolarHBondContact O-N 2.93Å; K94-E112 IonicContact NZ-OE1 3.13Å; K94-E112 IonicContact NZ-OE2 2.84Å; K94-E112 PolarHBondContact NZ-OE2 3.31Å; K94-L115 HydrophobicContact CD-CD1 4.03Å; K94-L115 VanDerWaalsContact CE-CD1 3.49Å; K94-L115 HydrophobicContact CG-CD1 4.14Å; K94-S122 PolarHBondContact N-O 3.08Å; K94-I124 HydrophobicContact CB-CD1 4.1Å
95E93.6Very high90.8Very high116 Ų11652.5 Ų52.554%0.54227%0.274SS..Hα-helixtrans-65.8-40.8179.6-58.471.1-151.100112S93 Q98 L99S93-E95 VanDerWaalsContact CB-OE2 3.24Å; S93-E95 WeakPolarHBondContact CB-OE2 3.32Å; S93-E95 PolarHBondContact O-N 3.47Å; S93-E95 PolarHBondContact OG-OE2 3.28Å; E95-Q98 PolarHBondContact O-N 2.89Å; E95-L99 VanDerWaalsContact O-CB 3.28Å; E95-L99 WeakPolarHBondContact O-CB 3.46Å; E95-L99 PolarHBondContact O-N 3.29Å
96D93.2Very high90.8Very high48 Ų4851.8 Ų51.826%0.25727%0.271SS..Hα-helixtrans-63.3-46.3176.6-85.8-5.6000110.6L86 K89 S93 L99 K100L86-D96 HydrophobicContact CD2-CB 4.35Å; K89-D96 IonicContact NZ-OD2 3.18Å; K89-D96 PolarHBondContact NZ-OD2 2.96Å; S93-D96 PolarHBondContact O-N 3.39Å; S93-D96 VanDerWaalsContact O-N 3.14Å; S93-D96 PolarHBondContact OG-N 3.37Å; D96-L99 PolarHBondContact O-N 2.86Å; D96-K100 WeakPolarHBondContact O-CG 3.41Å; D96-K100 PolarHBondContact O-N 3.32Å
97V94.9Very high90.9Very high1 Ų153.8 Ų53.81%0.00628%0.284CS..Hα-helixtrans-61.4-47.8176.9179.30000110.4L86 C92 S93 K94 L99 K100 W101 L111 I124 F129L86-V97 HydrophobicContact CD1-CG2 4.2Å; C92-V97 HydrophobicContact CB-CG2 3.97Å; S93-V97 PolarHBondContact O-N 3.39Å; S93-V97 VanDerWaalsContact O-N 3.13Å; K94-V97 PolarHBondContact O-N 3.46Å; V97-L99 VanDerWaalsContact C-N 3.32Å; V97-L99 PolarHBondContact O-N 3.37Å; V97-K100 PolarHBondContact O-N 2.83Å; V97-W101 WeakPolarHBondContact O-CB 3.27Å; V97-W101 PolarHBondContact O-N 3.14Å; V97-L111 HydrophobicContact CG1-CD1 3.88Å; V97-I124 HydrophobicContact CB-CD1 4.19Å; V97-I124 HydrophobicContact CG2-CD1 3.77Å; V97-F129 HydrophobicContact CG1-CE1 4.06Å; V97-F129 HydrophobicContact CG1-CE2 4.35Å; V97-F129 HydrophobicContact CG1-CZ 3.94Å
98Q95.2Very high91.2Very high42 Ų4254.2 Ų54.220%0.19628%0.282CS..Hα-helixtrans-59.8-40.7177.6-74.4-177.6-18.300112.4K94 E95 K102 M108 L111 E112K94-Q98 HydrophobicContact CG-CG 4.29Å; K94-Q98 WeakPolarHBondContact O-CB 3.37Å; K94-Q98 VanDerWaalsContact O-CG 3.23Å; K94-Q98 WeakPolarHBondContact O-CG 3.13Å; K94-Q98 PolarHBondContact O-N 2.93Å; E95-Q98 PolarHBondContact O-N 2.89Å; Q98-K102 WeakPolarHBondContact O-CB 3.5Å; Q98-K102 VanDerWaalsContact O-CG 3.26Å; Q98-K102 WeakPolarHBondContact O-CG 3.34Å; Q98-K102 PolarHBondContact O-N 2.95Å; Q98-M108 HydrophobicContact CB-CE 4.5Å; Q98-M108 HydrophobicContact CG-CE 3.99Å; Q98-L111 HydrophobicContact CB-CD2 4.17Å; Q98-L111 HydrophobicContact CG-CD2 3.57Å; Q98-E112 PolarHBondContact NE2-OE1 3.49Å
99L94.5Very high91.7Very high108 Ų10857.3 Ų57.357%0.56529%0.287SS*.Hα-helixtrans-64-48.9178.3-179.267.3000111.2E95 D96 V97 K102 A103E95-L99 VanDerWaalsContact O-CB 3.28Å; E95-L99 WeakPolarHBondContact O-CB 3.46Å; E95-L99 PolarHBondContact O-N 3.29Å; D96-L99 PolarHBondContact O-N 2.86Å; V97-L99 VanDerWaalsContact C-N 3.32Å; V97-L99 PolarHBondContact O-N 3.37Å; L99-K102 PolarHBondContact O-N 3.07Å; L99-A103 WeakPolarHBondContact O-CB 3.49Å; L99-A103 PolarHBondContact O-N 3Å
100K95.1Very high92.4Very high31 Ų3153.7 Ų53.714%0.13527%0.271CS..Hα-helixtrans-68.7-36179.4-61.4-54-175.1178.50112E53 L82 Q85 L86 D96 V97 A103 L104E53-K100 IonicContact OE2-NZ 3.97Å; E53-K100 PolarHBondContact OE2-NZ 3.47Å; L82-K100 HydrophobicContact CD2-CB 3.78Å; Q85-K100 HydrophobicContact CB-CD 4.49Å; L86-K100 HydrophobicContact CD1-CB 4.28Å; L86-K100 HydrophobicContact CD1-CG 4.39Å; L86-K100 HydrophobicContact CD2-CG 4.06Å; L86-K100 HydrophobicContact CG-CG 4.3Å; D96-K100 WeakPolarHBondContact O-CG 3.41Å; D96-K100 PolarHBondContact O-N 3.32Å; V97-K100 PolarHBondContact O-N 2.83Å; K100-A103 WeakPolarHBondContact O-CB 3.43Å; K100-A103 PolarHBondContact O-N 3.13Å; K100-L104 PolarHBondContact O-N 3.41Å
101W95.6Very high93.3Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-61.8-48.7174.3-167.3-90.8000112.1L74 L82 V97 A103 L104 L106 P107 Q110 L111 L114 F129L74-W101 HydrophobicContact CD1-CH2 4Å; L74-W101 HydrophobicContact CD1-CZ3 4.27Å; L74-W101 HydrophobicContact CD2-CH2 4.2Å; L82-W101 HydrophobicContact CD1-CE3 3.54Å; L82-W101 HydrophobicContact CD1-CZ3 3.7Å; V97-W101 WeakPolarHBondContact O-CB 3.27Å; V97-W101 PolarHBondContact O-N 3.14Å; W101-A103 VanDerWaalsContact C-N 3.33Å; W101-A103 PolarHBondContact O-N 3.44Å; W101-L104 PolarHBondContact O-N 2.87Å; W101-L104 VanDerWaalsContact O-N 3.14Å; W101-L106 VanDerWaalsContact CD1-CB 3.49Å; W101-L106 HydrophobicContact CD2-CB 3.93Å; W101-L106 HydrophobicContact CD2-CD1 3.64Å; W101-L106 HydrophobicContact CD2-CG 4.45Å; W101-L106 VanDerWaalsContact CE2-CB 3.41Å; W101-L106 HydrophobicContact CE3-CD1 3.82Å; W101-L106 HydrophobicContact CG-CB 3.96Å; W101-L106 HydrophobicContact CG-CD1 4.18Å; W101-L106 HydrophobicContact CH2-CD1 4.11Å; W101-L106 HydrophobicContact CZ2-CB 3.97Å; W101-L106 HydrophobicContact CZ2-CD1 3.95Å; W101-L106 HydrophobicContact CZ2-CG 4.47Å; W101-L106 HydrophobicContact CZ3-CD1 4.06Å; W101-L106 PolarHBondContact O-N 2.93Å; W101-P107 PolarHBondContact NE1-O 3.43Å; W101-Q110 HydrophobicContact CZ2-CB 4.27Å; W101-Q110 HydrophobicContact CZ2-CG 4.2Å; W101-L111 HydrophobicContact CB-CD2 3.93Å; W101-L111 HydrophobicContact CD2-CB 4.09Å; W101-L111 HydrophobicContact CD2-CD1 4.13Å; W101-L111 HydrophobicContact CD2-CD2 4.38Å; W101-L111 HydrophobicContact CD2-CG 4.44Å; W101-L111 HydrophobicContact CE3-CD1 4.15Å; W101-L111 HydrophobicContact CG-CB 4.15Å; W101-L111 HydrophobicContact CG-CD1 4.43Å; W101-L111 HydrophobicContact CG-CD2 3.85Å; W101-L111 HydrophobicContact CG-CG 4.39Å; W101-L111 HydrophobicContact CZ2-CB 4.36Å; W101-L114 HydrophobicContact CH2-CD1 3.68Å; W101-L114 HydrophobicContact CZ2-CD1 4.42Å; W101-L114 HydrophobicContact CZ3-CD1 4.24Å; W101-F129 HydrophobicContact CE3-CE1 4.46Å; W101-F129 HydrophobicContact CE3-CZ 4.32Å; W101-F129 HydrophobicContact CZ3-CE1 4.13Å; W101-F129 HydrophobicContact CZ3-CZ 4.05Å
102K94.4Very high93.6Very high97 Ų9744.9 Ų44.942%0.42223%0.225SC..Hα-helixtrans-63-38.4175-73.4176.1-176.41770112Q40 Q98 L99 L104 C105 M108Q40-K102 PolarHBondContact NE2-O 3.23Å; Q98-K102 WeakPolarHBondContact O-CB 3.5Å; Q98-K102 VanDerWaalsContact O-CG 3.26Å; Q98-K102 WeakPolarHBondContact O-CG 3.34Å; Q98-K102 PolarHBondContact O-N 2.95Å; L99-K102 PolarHBondContact O-N 3.07Å; K102-L104 PolarHBondContact O-N 2.9Å; K102-L104 VanDerWaalsContact O-N 3.12Å; K102-C105 WeakPolarHBondContact O-CA 3.18Å; K102-C105 PolarHBondContact O-N 2.88Å; K102-M108 HydrophobicContact CD-SD 4.1Å; K102-M108 WeakPolarHBondContact CE-SD 3.24Å; K102-M108 HydrophobicContact CG-CG 4.31Å; K102-M108 HydrophobicContact CG-SD 3.62Å
103A94.1Very high93.7Very high15 Ų1547.6 Ų47.612%0.12425%0.248CC..Hα-helixtrans-57.9-25.7176.100000113.1A44 L99 K100 W101A44-A103 HydrophobicContact CB-CB 3.59Å; L99-A103 WeakPolarHBondContact O-CB 3.49Å; L99-A103 PolarHBondContact O-N 3Å; K100-A103 WeakPolarHBondContact O-CB 3.43Å; K100-A103 PolarHBondContact O-N 3.13Å; W101-A103 VanDerWaalsContact C-N 3.33Å; W101-A103 PolarHBondContact O-N 3.44Å
104L93.8Very high93.7Very high6 Ų646.3 Ų46.33%0.03124%0.238CC..THydrogen-bonded Turntrans-92.35.2175.2-60.9-179.8000114P56 L78 I81 L82 K100 W101 K102 L106P56-L104 HydrophobicContact CB-CD2 3.67Å; L78-L104 HydrophobicContact CB-CD1 4.3Å; L78-L104 HydrophobicContact CD2-CB 4.42Å; L78-L104 HydrophobicContact CD2-CD1 4.41Å; L78-L104 HydrophobicContact CD2-CD2 4.22Å; I81-L104 HydrophobicContact CB-CD1 4.3Å; I81-L104 HydrophobicContact CD1-CD2 4.05Å; I81-L104 HydrophobicContact CG2-CD1 4.24Å; I81-L104 HydrophobicContact CG2-CD2 3.97Å; L82-L104 HydrophobicContact CD1-CD1 4.29Å; L82-L104 HydrophobicContact CD2-CD1 3.59Å; L82-L104 HydrophobicContact CG-CD1 3.58Å; K100-L104 PolarHBondContact O-N 3.41Å; W101-L104 PolarHBondContact O-N 2.87Å; W101-L104 VanDerWaalsContact O-N 3.14Å; K102-L104 PolarHBondContact O-N 2.9Å; K102-L104 VanDerWaalsContact O-N 3.12Å; L104-L106 HydrophobicContact CB-CD1 3.99Å; L104-L106 HydrophobicContact CB-CG 3.96Å; L104-L106 HydrophobicContact CD1-CD1 4.25Å; L104-L106 PolarHBondContact O-N 3.34Å
105C92.3Very high93.8Very high16 Ų1644.1 Ų44.111%0.10823%0.228CC..THydrogen-bonded Turntrans57.733.3-179.2-51.20000112.7K36 D37 K102K36-C105 HydrophobicContact CB-CB 4.34Å; D37-C105 HydrophobicContact CB-CB 4.45Å; D37-C105 PolarHBondContact O-SG 3.09Å; K102-C105 WeakPolarHBondContact O-CA 3.18Å; K102-C105 PolarHBondContact O-N 2.88Å
106L92.6Very high93.8Very high10 Ų1042.8 Ų42.85%0.05223%0.232CC..  trans-83.1148.1177.1-67.9170000111.1G73 L74 L78 L82 W101 L104 M108G73-L106 WeakPolarHBondContact O-CD2 3.39Å; L74-L106 HydrophobicContact CB-CD2 4.28Å; L74-L106 HydrophobicContact CD1-CD1 3.83Å; L74-L106 HydrophobicContact CD1-CD2 4.17Å; L78-L106 HydrophobicContact CD1-CD2 3.65Å; L78-L106 HydrophobicContact CD1-CG 4.37Å; L82-L106 HydrophobicContact CD1-CD1 4.27Å; W101-L106 VanDerWaalsContact CD1-CB 3.49Å; W101-L106 HydrophobicContact CD2-CB 3.93Å; W101-L106 HydrophobicContact CD2-CD1 3.64Å; W101-L106 HydrophobicContact CD2-CG 4.45Å; W101-L106 VanDerWaalsContact CE2-CB 3.41Å; W101-L106 HydrophobicContact CE3-CD1 3.82Å; W101-L106 HydrophobicContact CG-CB 3.96Å; W101-L106 HydrophobicContact CG-CD1 4.18Å; W101-L106 HydrophobicContact CH2-CD1 4.11Å; W101-L106 HydrophobicContact CZ2-CB 3.97Å; W101-L106 HydrophobicContact CZ2-CD1 3.95Å; W101-L106 HydrophobicContact CZ2-CG 4.47Å; W101-L106 HydrophobicContact CZ3-CD1 4.06Å; W101-L106 PolarHBondContact O-N 2.93Å; L104-L106 HydrophobicContact CB-CD1 3.99Å; L104-L106 HydrophobicContact CB-CG 3.96Å; L104-L106 HydrophobicContact CD1-CD1 4.25Å; L104-L106 PolarHBondContact O-N 3.34Å; L106-M108 PolarHBondContact O-N 3.41Å
107P92.2Very high93.7Very high45 Ų4544.9 Ų44.929%0.29224%0.243SC..  trans-63.8130.6-179.8-20.833.3000112.3T72 W101 E109 Q110 L111T72-P107 WeakPolarHBondContact O-CD 3.41Å; W101-P107 PolarHBondContact NE1-O 3.43Å; P107-E109 VanDerWaalsContact C-N 3.31Å; P107-E109 PolarHBondContact O-N 2.71Å; P107-Q110 HydrophobicContact CB-CB 4.37Å; P107-Q110 PolarHBondContact O-N 3Å; P107-L111 PolarHBondContact O-N 3.43Å
108M93Very high93.5Very high56 Ų5645.5 Ų45.528%0.27625%0.25SC..Hα-helixtrans-68.8-30.5178.5-76.3-61.9-56.800113Q98 K102 L106 Q110 L111 E112Q98-M108 HydrophobicContact CB-CE 4.5Å; Q98-M108 HydrophobicContact CG-CE 3.99Å; K102-M108 HydrophobicContact CD-SD 4.1Å; K102-M108 WeakPolarHBondContact CE-SD 3.24Å; K102-M108 HydrophobicContact CG-CG 4.31Å; K102-M108 HydrophobicContact CG-SD 3.62Å; L106-M108 PolarHBondContact O-N 3.41Å; M108-Q110 VanDerWaalsContact C-N 3.27Å; M108-Q110 PolarHBondContact O-N 2.9Å; M108-L111 HydrophobicContact CE-CD2 3.82Å; M108-L111 WeakPolarHBondContact O-CB 3.28Å; M108-L111 PolarHBondContact O-N 3.47Å; M108-L111 VanDerWaalsContact O-N 3.13Å; M108-L111 HydrophobicContact SD-CD2 3.99Å; M108-E112 PolarHBondContact O-N 3.09Å
109E92.5Very high93.3Very high171 Ų17148.7 Ų48.780%0.79928%0.276SS*.Hα-helixtrans-59.3-40.8175.1-66.7167-171.400111.2P107 E112 A113P107-E109 VanDerWaalsContact C-N 3.31Å; P107-E109 PolarHBondContact O-N 2.71Å; E109-E112 PolarHBondContact O-N 3.01Å; E109-A113 WeakPolarHBondContact O-CB 3.37Å; E109-A113 PolarHBondContact O-N 3.39Å
110Q91.9Very high93.2Very high24 Ų2445 Ų4511%0.11226%0.256CS..Hα-helixtrans-65-41.5175.1-170.9-1702.800111.3T72 W101 P107 M108 A113 L114T72-Q110 PolarHBondContact O-OE1 3.03Å; W101-Q110 HydrophobicContact CZ2-CB 4.27Å; W101-Q110 HydrophobicContact CZ2-CG 4.2Å; P107-Q110 HydrophobicContact CB-CB 4.37Å; P107-Q110 PolarHBondContact O-N 3Å; M108-Q110 VanDerWaalsContact C-N 3.27Å; M108-Q110 PolarHBondContact O-N 2.9Å; Q110-A113 PolarHBondContact O-N 3.41Å; Q110-L114 HydrophobicContact CG-CD1 4.46Å; Q110-L114 WeakPolarHBondContact O-CG 3.29Å; Q110-L114 PolarHBondContact O-N 3.23Å
111L94.5Very high92.9Very high0 Ų045.9 Ų45.90%027%0.274CS..Hα-helixtrans-60.6-48.7176.9176.759.3000111.5V97 Q98 W101 P107 M108 A113 L114 L115 F129V97-L111 HydrophobicContact CG1-CD1 3.88Å; Q98-L111 HydrophobicContact CB-CD2 4.17Å; Q98-L111 HydrophobicContact CG-CD2 3.57Å; W101-L111 HydrophobicContact CB-CD2 3.93Å; W101-L111 HydrophobicContact CD2-CB 4.09Å; W101-L111 HydrophobicContact CD2-CD1 4.13Å; W101-L111 HydrophobicContact CD2-CD2 4.38Å; W101-L111 HydrophobicContact CD2-CG 4.44Å; W101-L111 HydrophobicContact CE3-CD1 4.15Å; W101-L111 HydrophobicContact CG-CB 4.15Å; W101-L111 HydrophobicContact CG-CD1 4.43Å; W101-L111 HydrophobicContact CG-CD2 3.85Å; W101-L111 HydrophobicContact CG-CG 4.39Å; W101-L111 HydrophobicContact CZ2-CB 4.36Å; P107-L111 PolarHBondContact O-N 3.43Å; M108-L111 HydrophobicContact CE-CD2 3.82Å; M108-L111 WeakPolarHBondContact O-CB 3.28Å; M108-L111 PolarHBondContact O-N 3.47Å; M108-L111 VanDerWaalsContact O-N 3.13Å; M108-L111 HydrophobicContact SD-CD2 3.99Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.2Å; L111-L114 PolarHBondContact O-N 2.92Å; L111-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CG 4.07Å; L111-L115 HydrophobicContact CG-CD1 3.96Å; L111-L115 HydrophobicContact CG-CG 4.34Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.15Å; L111-L115 PolarHBondContact O-N 2.87Å; L111-F129 HydrophobicContact CD1-CE2 3.64Å; L111-F129 HydrophobicContact CD1-CZ 3.38Å
112E94.1Very high92.5Very high63 Ų6350.3 Ų50.329%0.29430%0.304SS..Hα-helixtrans-65.8-32.2179.8-62.7-59.1147.800111.9K94 Q98 M108 E109 L115 S116K94-E112 IonicContact NZ-OE1 3.13Å; K94-E112 IonicContact NZ-OE2 2.84Å; K94-E112 PolarHBondContact NZ-OE2 3.31Å; Q98-E112 PolarHBondContact NE2-OE1 3.49Å; M108-E112 PolarHBondContact O-N 3.09Å; E109-E112 PolarHBondContact O-N 3.01Å; E112-L115 PolarHBondContact O-N 3.41Å; E112-S116 VanDerWaalsContact O-CB 3.31Å; E112-S116 WeakPolarHBondContact O-CB 3.45Å; E112-S116 PolarHBondContact O-N 3.08Å; E112-S116 PolarHBondContact O-OG 3Å
113A93.3Very high92.4Very high60 Ų6052.7 Ų52.750%0.49632%0.317SS..Hα-helixtrans-63.3-45.1172.100000112E109 Q110 L111 S116 L117E109-A113 WeakPolarHBondContact O-CB 3.37Å; E109-A113 PolarHBondContact O-N 3.39Å; Q110-A113 PolarHBondContact O-N 3.41Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.2Å; A113-S116 PolarHBondContact O-N 3.29Å; A113-L117 WeakPolarHBondContact O-CB 3.35Å; A113-L117 PolarHBondContact O-N 3.4Å
114L94Very high92.3Very high11 Ų1152 Ų526%0.05831%0.311CS..Hα-helixtrans-64.4-41.9175.3-66.3171.8000111.7W101 Q110 L111 S116 L117 G118 F129 L132 A136W101-L114 HydrophobicContact CH2-CD1 3.68Å; W101-L114 HydrophobicContact CZ2-CD1 4.42Å; W101-L114 HydrophobicContact CZ3-CD1 4.24Å; Q110-L114 HydrophobicContact CG-CD1 4.46Å; Q110-L114 WeakPolarHBondContact O-CG 3.29Å; Q110-L114 PolarHBondContact O-N 3.23Å; L111-L114 PolarHBondContact O-N 2.92Å; L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 3.08Å; L114-L117 PolarHBondContact O-N 2.96Å; L114-G118 PolarHBondContact O-N 3.44Å; L114-G118 VanDerWaalsContact O-N 3.09Å; L114-F129 HydrophobicContact CB-CE2 3.97Å; L114-F129 HydrophobicContact CB-CZ 4.39Å; L114-F129 HydrophobicContact CD1-CZ 4.14Å; L114-L132 HydrophobicContact CD2-CB 3.88Å; L114-L132 WeakPolarHBondContact O-CD1 3.4Å; L114-A136 HydrophobicContact CD2-CB 4.08Å
115L94.3Very high92.4Very high6 Ų653.9 Ų53.93%0.03132%0.321CS..Hα-helixtrans-62.9-41.2178-70.1174.7000112.1K94 L111 E112 S119 F120 I124 F129K94-L115 HydrophobicContact CD-CD1 4.03Å; K94-L115 VanDerWaalsContact CE-CD1 3.49Å; K94-L115 HydrophobicContact CG-CD1 4.14Å; L111-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CG 4.07Å; L111-L115 HydrophobicContact CG-CD1 3.96Å; L111-L115 HydrophobicContact CG-CG 4.34Å; L111-L115 VanDerWaalsContact O-CG 3.29Å; L111-L115 WeakPolarHBondContact O-CG 3.15Å; L111-L115 PolarHBondContact O-N 2.87Å; E112-L115 PolarHBondContact O-N 3.41Å; L115-S119 PolarHBondContact O-N 3.26Å; L115-F120 HydrophobicContact CD2-CB 4.12Å; L115-F120 HydrophobicContact CD2-CD2 4.12Å; L115-F120 HydrophobicContact CD2-CG 4.47Å; L115-F120 PolarHBondContact O-N 3.46Å; L115-I124 HydrophobicContact CD2-CD1 3.51Å; L115-I124 HydrophobicContact CD2-CG1 4.25Å; L115-F129 HydrophobicContact CD2-CD2 3.92Å; L115-F129 HydrophobicContact CD2-CE2 3.77Å; L115-F129 HydrophobicContact CG-CE2 4.18Å
116S93.8Very high92.5Very high88 Ų8853.2 Ų53.262%0.61532%0.317SS*.Hα-helixtrans-68.7-40.2177.4-56.60000111.6E112 A113 L114 S119E112-S116 VanDerWaalsContact O-CB 3.31Å; E112-S116 WeakPolarHBondContact O-CB 3.45Å; E112-S116 PolarHBondContact O-N 3.08Å; E112-S116 PolarHBondContact O-OG 3Å; A113-S116 PolarHBondContact O-N 3.29Å; L114-S116 VanDerWaalsContact C-N 3.32Å; L114-S116 PolarHBondContact O-N 3.08Å; S116-S119 PolarHBondContact O-N 2.9Å; S116-S119 VanDerWaalsContact O-N 3.15Å
117L92.5Very high92.6Very high92 Ų9254.7 Ų54.748%0.48232%0.324SS..Hα-helixtrans-62.6-43179-178.162.6000111.9A113 L114 S119 L132 I178A113-L117 WeakPolarHBondContact O-CB 3.35Å; A113-L117 PolarHBondContact O-N 3.4Å; L114-L117 PolarHBondContact O-N 2.96Å; L117-S119 VanDerWaalsContact C-N 3.25Å; L117-S119 PolarHBondContact O-N 3.15Å; L117-L132 HydrophobicContact CB-CD1 4.29Å; L117-L132 HydrophobicContact CD2-CD2 3.86Å; L117-L132 HydrophobicContact CG-CD1 4.41Å; L117-L132 HydrophobicContact CG-CD2 4.17Å; L117-I178 HydrophobicContact CD1-CG2 3.88Å; L117-I178 HydrophobicContact CD2-CG2 4.31Å; L117-I178 HydrophobicContact CG-CG2 4.01Å
118G90.4Very high92.7Very high15 Ų1554.9 Ų54.916%0.15532%0.321CS..THydrogen-bonded Turntrans-81.73.1175.600000114.9L114 F120L114-G118 PolarHBondContact O-N 3.44Å; L114-G118 VanDerWaalsContact O-N 3.09Å; G118-F120 PolarHBondContact O-N 2.9Å; G118-F120 VanDerWaalsContact O-N 3.13Å
119S91.6Very high92.9Very high108 Ų10852.2 Ų52.276%0.75531%0.308SS*.THydrogen-bonded Turntrans50.336-175.4-60.60000113.7L115 S116 L117L115-S119 PolarHBondContact O-N 3.26Å; S116-S119 PolarHBondContact O-N 2.9Å; S116-S119 VanDerWaalsContact O-N 3.15Å; L117-S119 VanDerWaalsContact C-N 3.25Å; L117-S119 PolarHBondContact O-N 3.15Å
120F91.8Very high93.1Very high32 Ų3244.1 Ų44.114%0.1427%0.27CS..  trans-74.6139.5-174.6-65.6-67.9000112.6L115 G118 I124 E128 F129 L132 Y174L115-F120 HydrophobicContact CD2-CB 4.12Å; L115-F120 HydrophobicContact CD2-CD2 4.12Å; L115-F120 HydrophobicContact CD2-CG 4.47Å; L115-F120 PolarHBondContact O-N 3.46Å; G118-F120 PolarHBondContact O-N 2.9Å; G118-F120 VanDerWaalsContact O-N 3.13Å; F120-I124 HydrophobicContact CB-CG1 4.04Å; F120-I124 HydrophobicContact CD1-CB 4.42Å; F120-I124 HydrophobicContact CD1-CG2 3.94Å; F120-I124 HydrophobicContact CD2-CG2 4.48Å; F120-I124 HydrophobicContact CE1-CG2 4.09Å; F120-I124 HydrophobicContact CG-CG1 4.31Å; F120-I124 HydrophobicContact CG-CG2 4.16Å; F120-I124 HydrophobicContact CZ-CG2 4.4Å; F120-E128 HydrophobicContact CE1-CB 4Å; F120-E128 HydrophobicContact CZ-CB 3.78Å; F120-F129 HydrophobicContact CD2-CD2 4.29Å; F120-F129 HydrophobicContact CE2-CB 4.08Å; F120-F129 HydrophobicContact CE2-CD2 4.01Å; F120-F129 HydrophobicContact CZ-CB 4.05Å; F120-L132 HydrophobicContact CE2-CD1 3.74Å; F120-L132 HydrophobicContact CZ-CD1 4.45Å; F120-Y174 WeakPolarHBondContact CZ-OH 3.38Å
121G87.5Confident93.2Very high49 Ų4943 Ų4351%0.50526%0.264SS..  trans-91.3-135.1175.500000113.1
122S88.3Confident93.2Very high92 Ų9243 Ų4364%0.64327%0.265SS*.SBendtrans-78.5-33.4176.5-58.80000112.9S93 K94S93-S122 WeakPolarHBondContact CA-O 3.24Å; K94-S122 PolarHBondContact N-O 3.08Å
123E91.7Very high93.3Very high147 Ų14740 Ų4069%0.68725%0.251SS*.EExtended strand (participates in β ladder)trans-104.7132.8174.7-64.7-172172.100109.2
124I93.4Very high93.3Very high0 Ų037.1 Ų37.10%023%0.227CC..EExtended strand (participates in β ladder)trans-117.8123.7-174.9-60.6167.6000107.3T91 C92 K94 V97 L115 F120 W126 F129T91-I124 WeakPolarHBondContact CA-O 3.46Å; C92-I124 PolarHBondContact N-O 3.37Å; C92-I124 PolarHBondContact O-N 3.19Å; K94-I124 HydrophobicContact CB-CD1 4.1Å; V97-I124 HydrophobicContact CB-CD1 4.19Å; V97-I124 HydrophobicContact CG2-CD1 3.77Å; L115-I124 HydrophobicContact CD2-CD1 3.51Å; L115-I124 HydrophobicContact CD2-CG1 4.25Å; F120-I124 HydrophobicContact CB-CG1 4.04Å; F120-I124 HydrophobicContact CD1-CB 4.42Å; F120-I124 HydrophobicContact CD1-CG2 3.94Å; F120-I124 HydrophobicContact CD2-CG2 4.48Å; F120-I124 HydrophobicContact CE1-CG2 4.09Å; F120-I124 HydrophobicContact CG-CG1 4.31Å; F120-I124 HydrophobicContact CG-CG2 4.16Å; F120-I124 HydrophobicContact CZ-CG2 4.4Å; I124-W126 PolarHBondContact O-N 3.48Å; I124-F129 HydrophobicContact CG2-CB 3.57Å; I124-F129 HydrophobicContact CG2-CD2 4.2Å; I124-F129 HydrophobicContact CG2-CG 4.09Å
125N93.9Very high93.2Very high46 Ų4638.4 Ų38.425%0.24624%0.237CC..EExtended strand (participates in β ladder)trans-65.9115.2163.9179.6-24000107.9M127 E128 F129N125-M127 VanDerWaalsContact C-N 3.29Å; N125-M127 PolarHBondContact O-N 2.99Å; N125-M127 PolarHBondContact OD1-N 3.14Å; N125-E128 HydrophobicContact CB-CB 4.1Å; N125-E128 HydrophobicContact CB-CG 4.06Å; N125-E128 WeakPolarHBondContact CB-OE2 3.31Å; N125-E128 VanDerWaalsContact ND2-CD 3.29Å; N125-E128 PolarHBondContact ND2-OE1 3.16Å; N125-E128 PolarHBondContact O-N 3.16Å; N125-F129 PolarHBondContact O-N 2.66Å; N125-F129 VanDerWaalsContact O-N 3.09Å
126W94.9Very high93.1Very high3 Ų339.7 Ų39.71%0.01125%0.248CC..Hα-helixtrans-63-36.4-173.6175.2-109.1000112.4L82 H83 L86 E90 I124 F129 F130L82-W126 VanDerWaalsContact C-CZ2 3.46Å; L82-W126 HydrophobicContact CB-CH2 3.57Å; L82-W126 HydrophobicContact CB-CZ2 3.94Å; H83-W126 VanDerWaalsContact CA-CZ2 3.43Å; H83-W126 HydrophobicContact CB-CZ2 4.14Å; H83-W126 AromaticContact CE1-NE1 3.98Å; H83-W126 AromaticContact CG-NE1 3.89Å; H83-W126 AromaticContact ND1-NE1 3.21Å; H83-W126 PolarHBondContact ND1-NE1 2.84Å; L86-W126 HydrophobicContact CB-CD2 3.6Å; L86-W126 HydrophobicContact CB-CE3 3.62Å; L86-W126 HydrophobicContact CB-CG 4.26Å; L86-W126 HydrophobicContact CB-CH2 4.22Å; L86-W126 HydrophobicContact CB-CZ2 4.16Å; L86-W126 HydrophobicContact CB-CZ3 3.94Å; L86-W126 HydrophobicContact CD1-CD2 4.47Å; L86-W126 HydrophobicContact CD1-CE3 3.7Å; L86-W126 HydrophobicContact CD1-CH2 3.67Å; L86-W126 HydrophobicContact CD1-CZ2 4.4Å; L86-W126 HydrophobicContact CD1-CZ3 3.23Å; L86-W126 HydrophobicContact CG-CE3 4.28Å; L86-W126 HydrophobicContact CG-CZ3 4.21Å; E90-W126 PolarHBondContact O-N 2.94Å; I124-W126 PolarHBondContact O-N 3.48Å; W126-F129 HydrophobicContact CE3-CD1 4.19Å; W126-F129 HydrophobicContact CH2-CD1 4.05Å; W126-F129 HydrophobicContact CH2-CE1 4.38Å; W126-F129 AromaticContact CZ3-CD1 3.55Å; W126-F129 HydrophobicContact CZ3-CD1 3.55Å; W126-F129 HydrophobicContact CZ3-CE1 4.04Å; W126-F129 HydrophobicContact CZ3-CG 4.48Å; W126-F129 PolarHBondContact O-N 2.92Å; W126-F130 HydrophobicContact CZ2-CB 4.42Å; W126-F130 HydrophobicContact CZ2-CD2 4.48Å; W126-F130 WeakPolarHBondContact O-CB 3.28Å; W126-F130 PolarHBondContact O-N 3.43Å
127M95.2Very high92.9Very high41 Ų4137.3 Ų37.320%0.20223%0.228CC..Hα-helixtrans-71.4-36.8-177.1-67.7-58.1-61.900112.2N125 F130 A131 L152 T167 L171N125-M127 VanDerWaalsContact C-N 3.29Å; N125-M127 PolarHBondContact O-N 2.99Å; N125-M127 PolarHBondContact OD1-N 3.14Å; M127-F130 HydrophobicContact CE-CD1 4.43Å; M127-F130 WeakPolarHBondContact O-CB 3.18Å; M127-F130 PolarHBondContact O-N 3.18Å; M127-A131 WeakPolarHBondContact O-CB 3.23Å; M127-A131 PolarHBondContact O-N 2.55Å; M127-L152 HydrophobicContact CE-CD1 3.96Å; M127-L152 HydrophobicContact CE-CD2 4.38Å; M127-T167 HydrophobicContact CE-CG2 3.75Å; M127-L171 HydrophobicContact CB-CD2 4.4Å; M127-L171 HydrophobicContact CE-CD1 4.14Å; M127-L171 HydrophobicContact CE-CD2 4.09Å; M127-L171 HydrophobicContact CE-CG 4.39Å; M127-L171 VanDerWaalsContact O-CD2 3.27Å; M127-L171 WeakPolarHBondContact O-CD2 3.4Å
128E95.1Very high92.4Very high49 Ų4934.1 Ų34.123%0.22922%0.218CC..Hα-helixtrans-67.1-46174-70.9171.3-161.800111.2F120 N125 F130 A131 L132 H170 Y174F120-E128 HydrophobicContact CE1-CB 4Å; F120-E128 HydrophobicContact CZ-CB 3.78Å; N125-E128 HydrophobicContact CB-CB 4.1Å; N125-E128 HydrophobicContact CB-CG 4.06Å; N125-E128 WeakPolarHBondContact CB-OE2 3.31Å; N125-E128 VanDerWaalsContact ND2-CD 3.29Å; N125-E128 PolarHBondContact ND2-OE1 3.16Å; N125-E128 PolarHBondContact O-N 3.16Å; E128-F130 VanDerWaalsContact C-N 3.3Å; E128-F130 PolarHBondContact O-N 3.25Å; E128-A131 WeakPolarHBondContact O-CB 3.29Å; E128-A131 PolarHBondContact O-N 2.74Å; E128-L132 PolarHBondContact O-N 3.01Å; E128-L132 VanDerWaalsContact O-N 3.12Å; E128-H170 IonicContact OE1-CE1 2.96Å; E128-Y174 HydrophobicContact CB-CD1 4.18Å; E128-Y174 HydrophobicContact CB-CD2 4.26Å; E128-Y174 HydrophobicContact CB-CE1 3.72Å; E128-Y174 HydrophobicContact CB-CE2 3.81Å; E128-Y174 HydrophobicContact CB-CG 4.42Å; E128-Y174 HydrophobicContact CG-CD1 4.25Å; E128-Y174 HydrophobicContact CG-CD2 3.74Å; E128-Y174 HydrophobicContact CG-CE1 4.22Å; E128-Y174 HydrophobicContact CG-CE2 3.71Å; E128-Y174 HydrophobicContact CG-CG 4.01Å; E128-Y174 WeakPolarHBondContact O-CE1 3.44Å
129F95.8Very high92Very high0 Ų036.9 Ų36.90%025%0.246CC..Hα-helixtrans-61.7-41.3174.5-178.2-87.1000111.6V97 W101 L111 L114 L115 F120 I124 N125 W126 A131 L132 G133V97-F129 HydrophobicContact CG1-CE1 4.06Å; V97-F129 HydrophobicContact CG1-CE2 4.35Å; V97-F129 HydrophobicContact CG1-CZ 3.94Å; W101-F129 HydrophobicContact CE3-CE1 4.46Å; W101-F129 HydrophobicContact CE3-CZ 4.32Å; W101-F129 HydrophobicContact CZ3-CE1 4.13Å; W101-F129 HydrophobicContact CZ3-CZ 4.05Å; L111-F129 HydrophobicContact CD1-CE2 3.64Å; L111-F129 HydrophobicContact CD1-CZ 3.38Å; L114-F129 HydrophobicContact CB-CE2 3.97Å; L114-F129 HydrophobicContact CB-CZ 4.39Å; L114-F129 HydrophobicContact CD1-CZ 4.14Å; L115-F129 HydrophobicContact CD2-CD2 3.92Å; L115-F129 HydrophobicContact CD2-CE2 3.77Å; L115-F129 HydrophobicContact CG-CE2 4.18Å; F120-F129 HydrophobicContact CD2-CD2 4.29Å; F120-F129 HydrophobicContact CE2-CB 4.08Å; F120-F129 HydrophobicContact CE2-CD2 4.01Å; F120-F129 HydrophobicContact CZ-CB 4.05Å; I124-F129 HydrophobicContact CG2-CB 3.57Å; I124-F129 HydrophobicContact CG2-CD2 4.2Å; I124-F129 HydrophobicContact CG2-CG 4.09Å; N125-F129 PolarHBondContact O-N 2.66Å; N125-F129 VanDerWaalsContact O-N 3.09Å; W126-F129 HydrophobicContact CE3-CD1 4.19Å; W126-F129 HydrophobicContact CH2-CD1 4.05Å; W126-F129 HydrophobicContact CH2-CE1 4.38Å; W126-F129 AromaticContact CZ3-CD1 3.55Å; W126-F129 HydrophobicContact CZ3-CD1 3.55Å; W126-F129 HydrophobicContact CZ3-CE1 4.04Å; W126-F129 HydrophobicContact CZ3-CG 4.48Å; W126-F129 PolarHBondContact O-N 2.92Å; F129-A131 VanDerWaalsContact C-N 3.32Å; F129-A131 PolarHBondContact O-N 2.98Å; F129-L132 PolarHBondContact O-N 2.7Å; F129-G133 PolarHBondContact O-N 3.49Å
130F96.2Very high91.9Very high0 Ų034.7 Ų34.70%023%0.231CC..Hα-helixtrans-59-42.9174.4170.5-94.7000111.7L79 H83 W126 M127 E128 L132 G133 C134 A148 I151 L152 L171L79-F130 HydrophobicContact CD1-CD2 4.11Å; L79-F130 HydrophobicContact CD2-CD2 4.21Å; L79-F130 HydrophobicContact CD2-CE2 4.02Å; L79-F130 HydrophobicContact CG-CD2 3.93Å; L79-F130 HydrophobicContact CG-CE2 3.85Å; H83-F130 HydrophobicContact CB-CD2 4.2Å; H83-F130 HydrophobicContact CB-CE2 4.19Å; W126-F130 HydrophobicContact CZ2-CB 4.42Å; W126-F130 HydrophobicContact CZ2-CD2 4.48Å; W126-F130 WeakPolarHBondContact O-CB 3.28Å; W126-F130 PolarHBondContact O-N 3.43Å; M127-F130 HydrophobicContact CE-CD1 4.43Å; M127-F130 WeakPolarHBondContact O-CB 3.18Å; M127-F130 PolarHBondContact O-N 3.18Å; E128-F130 VanDerWaalsContact C-N 3.3Å; E128-F130 PolarHBondContact O-N 3.25Å; F130-L132 VanDerWaalsContact C-N 3.33Å; F130-L132 PolarHBondContact O-N 3.19Å; F130-G133 WeakPolarHBondContact O-CA 3.42Å; F130-G133 PolarHBondContact O-N 2.97Å; F130-G133 VanDerWaalsContact O-N 3.08Å; F130-C134 PolarHBondContact O-N 3.13Å; F130-A148 HydrophobicContact CE1-CB 3.96Å; F130-I151 HydrophobicContact CE2-CB 4.24Å; F130-I151 HydrophobicContact CE2-CD1 4.23Å; F130-I151 HydrophobicContact CE2-CG2 3.62Å; F130-I151 HydrophobicContact CZ-CB 3.94Å; F130-I151 HydrophobicContact CZ-CD1 4.26Å; F130-I151 HydrophobicContact CZ-CG2 3.75Å; F130-L152 HydrophobicContact CE1-CD1 3.71Å; F130-L152 HydrophobicContact CE1-CD2 4.02Å; F130-L152 HydrophobicContact CE1-CG 3.8Å; F130-L152 HydrophobicContact CZ-CD1 4.24Å; F130-L152 HydrophobicContact CZ-CD2 3.93Å; F130-L152 HydrophobicContact CZ-CG 3.8Å; F130-L171 HydrophobicContact CD1-CD2 4.33Å; F130-L171 HydrophobicContact CE1-CD1 4.38Å
131A95.5Very high91.8Very high0 Ų033.9 Ų33.90%023%0.228CC..Hα-helixtrans-58.1-45.417600000111.4M127 E128 F129 G133 C134 S135 L171 Y174 L175M127-A131 WeakPolarHBondContact O-CB 3.23Å; M127-A131 PolarHBondContact O-N 2.55Å; E128-A131 WeakPolarHBondContact O-CB 3.29Å; E128-A131 PolarHBondContact O-N 2.74Å; F129-A131 VanDerWaalsContact C-N 3.32Å; F129-A131 PolarHBondContact O-N 2.98Å; A131-G133 VanDerWaalsContact C-N 3.29Å; A131-G133 PolarHBondContact O-N 3.19Å; A131-C134 WeakPolarHBondContact O-CA 3.4Å; A131-C134 WeakPolarHBondContact O-CB 3.18Å; A131-C134 PolarHBondContact O-N 3.33Å; A131-C134 VanDerWaalsContact O-N 3.08Å; A131-S135 PolarHBondContact O-N 3.13Å; A131-L171 HydrophobicContact CB-CD2 3.67Å; A131-Y174 HydrophobicContact CB-CD1 3.77Å; A131-Y174 HydrophobicContact CB-CE1 4.09Å; A131-L175 HydrophobicContact CB-CD1 4.15Å; A131-L175 HydrophobicContact CB-CD2 3.9Å; A131-L175 HydrophobicContact CB-CG 3.87Å
132L94.9Very high92Very high1 Ų138.2 Ų38.21%0.00524%0.238CC..Hα-helixtrans-62.4-37.2175-64.3-173.7000112.4L114 L117 F120 E128 F129 F130 C134 S135 A136 Y174 L175 I178L114-L132 HydrophobicContact CD2-CB 3.88Å; L114-L132 WeakPolarHBondContact O-CD1 3.4Å; L117-L132 HydrophobicContact CB-CD1 4.29Å; L117-L132 HydrophobicContact CD2-CD2 3.86Å; L117-L132 HydrophobicContact CG-CD1 4.41Å; L117-L132 HydrophobicContact CG-CD2 4.17Å; F120-L132 HydrophobicContact CE2-CD1 3.74Å; F120-L132 HydrophobicContact CZ-CD1 4.45Å; E128-L132 PolarHBondContact O-N 3.01Å; E128-L132 VanDerWaalsContact O-N 3.12Å; F129-L132 PolarHBondContact O-N 2.7Å; F130-L132 VanDerWaalsContact C-N 3.33Å; F130-L132 PolarHBondContact O-N 3.19Å; L132-C134 VanDerWaalsContact C-N 3.3Å; L132-C134 PolarHBondContact O-N 3.15Å; L132-S135 WeakPolarHBondContact O-CB 3.39Å; L132-S135 PolarHBondContact O-N 3.02Å; L132-S135 VanDerWaalsContact O-N 3.15Å; L132-A136 PolarHBondContact O-N 2.77Å; L132-Y174 HydrophobicContact CD2-CE1 4.02Å; L132-Y174 HydrophobicContact CG-CE1 4.01Å; L132-L175 HydrophobicContact CD2-CD2 4.31Å; L132-I178 HydrophobicContact CD2-CD1 3.5Å; L132-I178 VanDerWaalsContact CD2-CD1 3.5Å; L132-I178 HydrophobicContact CD2-CG2 4.36Å; L132-I178 HydrophobicContact CG-CD1 4.47Å
133G94.4Very high92.1Very high0 Ų035 Ų350%022%0.216CC..Hα-helixtrans-58.4-42.4171.500000112.2F129 F130 A131 A136 L137F129-G133 PolarHBondContact O-N 3.49Å; F130-G133 WeakPolarHBondContact O-CA 3.42Å; F130-G133 PolarHBondContact O-N 2.97Å; F130-G133 VanDerWaalsContact O-N 3.08Å; A131-G133 VanDerWaalsContact C-N 3.29Å; A131-G133 PolarHBondContact O-N 3.19Å; G133-A136 PolarHBondContact O-N 3.45Å; G133-L137 WeakPolarHBondContact O-CG 3.5Å; G133-L137 PolarHBondContact O-N 3.38Å
134C94.4Very high92.2Very high0 Ų028.1 Ų28.10%018%0.183CC..Hα-helixtrans-65.5-37.2173.3-68.50000112.4F130 A131 L132 L137 G138 S144 H147F130-C134 PolarHBondContact O-N 3.13Å; A131-C134 WeakPolarHBondContact O-CA 3.4Å; A131-C134 WeakPolarHBondContact O-CB 3.18Å; A131-C134 PolarHBondContact O-N 3.33Å; A131-C134 VanDerWaalsContact O-N 3.08Å; L132-C134 VanDerWaalsContact C-N 3.3Å; L132-C134 PolarHBondContact O-N 3.15Å; C134-L137 WeakPolarHBondContact O-CB 3.34Å; C134-L137 PolarHBondContact O-N 3.31Å; C134-L137 VanDerWaalsContact O-N 3.16Å; C134-G138 PolarHBondContact O-N 2.97Å; C134-S144 WeakPolarHBondContact CB-O 3.42Å; C134-H147 HydrophobicContact CB-CB 4.22Å
135S92.3Very high92.2Very high38 Ų3828.5 Ų28.527%0.26619%0.185SC..Hα-helixtrans-61.4-44.9173.8-176.70000112.8A131 L132 L137 G138 G139 S144A131-S135 PolarHBondContact O-N 3.13Å; L132-S135 WeakPolarHBondContact O-CB 3.39Å; L132-S135 PolarHBondContact O-N 3.02Å; L132-S135 VanDerWaalsContact O-N 3.15Å; S135-L137 PolarHBondContact O-N 3.21Å; S135-L137 VanDerWaalsContact O-N 3.15Å; S135-G138 PolarHBondContact O-N 3.39Å; S135-G139 PolarHBondContact O-N 2.95Å; S135-S144 VanDerWaalsContact CA-OG 3.24Å; S135-S144 WeakPolarHBondContact CA-OG 3.47Å
136A91.1Very high92.1Very high32 Ų3232.4 Ų32.426%0.26420%0.2SC..Hα-helixtrans-63.8-19.317500000114.2L114 L132 G133L114-A136 HydrophobicContact CD2-CB 4.08Å; L132-A136 PolarHBondContact O-N 2.77Å; G133-A136 PolarHBondContact O-N 3.45Å
137L89.4Confident92.1Very high39 Ų3934 Ų3420%0.20421%0.208CC..Hα-helixtrans-86.8-42174.5-68.2170.7000112.5L74 P76 L79 G133 C134 S135L74-L137 HydrophobicContact CB-CD2 4.36Å; L74-L137 HydrophobicContact CD2-CD2 4.3Å; L74-L137 HydrophobicContact CD2-CG 4.22Å; L74-L137 HydrophobicContact CG-CD2 4.07Å; L74-L137 HydrophobicContact CG-CG 4.46Å; L74-L137 WeakPolarHBondContact O-CD2 3.4Å; P76-L137 HydrophobicContact CB-CD1 4.44Å; P76-L137 HydrophobicContact CG-CD1 4.16Å; L79-L137 HydrophobicContact CB-CD1 4.46Å; L79-L137 HydrophobicContact CD2-CD1 3.81Å; G133-L137 WeakPolarHBondContact O-CG 3.5Å; G133-L137 PolarHBondContact O-N 3.38Å; C134-L137 WeakPolarHBondContact O-CB 3.34Å; C134-L137 PolarHBondContact O-N 3.31Å; C134-L137 VanDerWaalsContact O-N 3.16Å; S135-L137 PolarHBondContact O-N 3.21Å; S135-L137 VanDerWaalsContact O-N 3.15Å
138G81.6Confident92.1Very high25 Ų2532.1 Ų32.126%0.25820%0.198SC..Hα-helixtrans-93.9-32.7-169.600000115.1C134 S135 S140 S143C134-G138 PolarHBondContact O-N 2.97Å; S135-G138 PolarHBondContact O-N 3.39Å; G138-S140 PolarHBondContact O-N 2.99Å; G138-S143 WeakPolarHBondContact CA-OG 3.47Å; G138-S143 PolarHBondContact O-OG 2.73Å
139G83.3Confident92Very high73 Ų7330.7 Ų30.775%0.75319%0.194SC*.SBendtrans69.61.1-177.300000115.7S135S135-G139 PolarHBondContact O-N 2.95Å
140S89Confident91.9Very high61 Ų6134.4 Ų34.443%0.42721%0.211SC..SBendtrans-147.3154.2170.665.40000110.7G138 I142 S143 S144G138-S140 PolarHBondContact O-N 2.99Å; S140-I142 VanDerWaalsContact C-N 3.32Å; S140-I142 PolarHBondContact O-N 3.18Å; S140-S143 PolarHBondContact N-OG 3.32Å; S140-S143 VanDerWaalsContact N-OG 3.13Å; S140-S143 PolarHBondContact O-N 3.45Å; S140-S143 PolarHBondContact O-OG 2.82Å; S140-S143 WeakPolarHBondContact OG-CB 3.38Å; S140-S143 PolarHBondContact OG-N 3.39Å; S140-S143 PolarHBondContact OG-OG 3.01Å; S140-S144 WeakPolarHBondContact O-CB 3.39Å; S140-S144 PolarHBondContact O-N 3.33Å; S140-S144 PolarHBondContact O-OG 3.34Å
141L90.2Very high91.8Very high15 Ų1534.9 Ų34.98%0.07921%0.213CC..Hα-helixtrans-50.4-48.9-179.4-17858000112.9S143 S144 M145 Y172 L175 A176L141-S143 PolarHBondContact O-N 3.35Å; L141-S144 WeakPolarHBondContact O-CB 3.24Å; L141-S144 PolarHBondContact O-N 3.33Å; L141-M145 HydrophobicContact CD1-CG 4.38Å; L141-M145 WeakPolarHBondContact O-CG 3.46Å; L141-M145 PolarHBondContact O-N 2.96Å; L141-Y172 HydrophobicContact CD1-CD2 4.47Å; L141-Y172 HydrophobicContact CD2-CD2 4.43Å; L141-Y172 HydrophobicContact CD2-CE1 4.11Å; L141-Y172 HydrophobicContact CD2-CE2 3.74Å; L141-Y172 HydrophobicContact CG-CD2 4.43Å; L141-Y172 HydrophobicContact CG-CE2 4.02Å; L141-L175 HydrophobicContact CD1-CB 3.4Å; L141-L175 VanDerWaalsContact CD1-CB 3.4Å; L141-L175 HydrophobicContact CD1-CD1 4.24Å; L141-L175 HydrophobicContact CD1-CG 4.47Å; L141-A176 HydrophobicContact CD2-CB 4.18Å
142I90.6Very high91.7Very high140 Ų14036.4 Ų36.472%0.71822%0.222SC*.Hα-helixtrans-61.3-47.9-179-61.1175.5000111.7S140 S144 M145 K146S140-I142 VanDerWaalsContact C-N 3.32Å; S140-I142 PolarHBondContact O-N 3.18Å; I142-S144 VanDerWaalsContact C-N 3.31Å; I142-S144 PolarHBondContact O-N 3.49Å; I142-M145 PolarHBondContact O-N 3.25Å; I142-K146 PolarHBondContact O-N 2.88Å
143S90.9Very high91.6Very high26 Ų2637.4 Ų37.418%0.18223%0.228CC..Hα-helixtrans-66-34.4179.160.50000112.7G138 S140 L141 K146 H147G138-S143 WeakPolarHBondContact CA-OG 3.47Å; G138-S143 PolarHBondContact O-OG 2.73Å; S140-S143 PolarHBondContact N-OG 3.32Å; S140-S143 VanDerWaalsContact N-OG 3.13Å; S140-S143 PolarHBondContact O-N 3.45Å; S140-S143 PolarHBondContact O-OG 2.82Å; S140-S143 WeakPolarHBondContact OG-CB 3.38Å; S140-S143 PolarHBondContact OG-N 3.39Å; S140-S143 PolarHBondContact OG-OG 3.01Å; L141-S143 PolarHBondContact O-N 3.35Å; S143-K146 WeakPolarHBondContact O-CB 3.39Å; S143-K146 PolarHBondContact O-N 3.5Å; S143-H147 PolarHBondContact O-CD2 2.98Å; S143-H147 PolarHBondContact O-N 3.42Å
144S93.1Very high91.2Very high1 Ų144.2 Ų44.21%0.00727%0.269CS..Hα-helixtrans-63.9-48.1175.8-49.30000110.3C134 S135 S140 L141 I142 K146 H147 A148C134-S144 WeakPolarHBondContact CB-O 3.42Å; S135-S144 VanDerWaalsContact CA-OG 3.24Å; S135-S144 WeakPolarHBondContact CA-OG 3.47Å; S140-S144 WeakPolarHBondContact O-CB 3.39Å; S140-S144 PolarHBondContact O-N 3.33Å; S140-S144 PolarHBondContact O-OG 3.34Å; L141-S144 WeakPolarHBondContact O-CB 3.24Å; L141-S144 PolarHBondContact O-N 3.33Å; I142-S144 VanDerWaalsContact C-N 3.31Å; I142-S144 PolarHBondContact O-N 3.49Å; S144-K146 VanDerWaalsContact C-N 3.29Å; S144-K146 PolarHBondContact O-N 2.92Å; S144-H147 WeakPolarHBondContact O-CB 3.32Å; S144-H147 PolarHBondContact O-N 3.38Å; S144-H147 VanDerWaalsContact O-N 3.15Å; S144-A148 PolarHBondContact O-N 2.83Å
145M94.2Very high90.9Very high8 Ų846 Ų464%0.03928%0.279CS..Hα-helixtrans-63.5-35.8176.4-69.9-55-61.400112.3L141 I142 A148 C149 F168 L171 Y172 L175L141-M145 HydrophobicContact CD1-CG 4.38Å; L141-M145 WeakPolarHBondContact O-CG 3.46Å; L141-M145 PolarHBondContact O-N 2.96Å; I142-M145 PolarHBondContact O-N 3.25Å; M145-A148 PolarHBondContact O-N 3.44Å; M145-C149 PolarHBondContact O-N 2.97Å; M145-C149 PolarHBondContact O-SG 3.01Å; M145-F168 HydrophobicContact CB-CE2 4.32Å; M145-F168 HydrophobicContact CE-CB 4.5Å; M145-F168 HydrophobicContact CE-CD1 4.12Å; M145-F168 HydrophobicContact CE-CD2 3.34Å; M145-F168 HydrophobicContact CE-CE1 4.1Å; M145-F168 HydrophobicContact CE-CE2 3.33Å; M145-F168 HydrophobicContact CE-CG 3.74Å; M145-F168 HydrophobicContact CE-CZ 3.73Å; M145-F168 WeakPolarHBondContact CE-O 3.5Å; M145-L171 HydrophobicContact CE-CB 4.03Å; M145-L171 HydrophobicContact SD-CB 3.96Å; M145-Y172 HydrophobicContact CG-CD2 4.01Å; M145-L175 HydrophobicContact SD-CD1 4.11Å
146K93.1Very high90.5Very high129 Ų12952.5 Ų52.556%0.56131%0.305SS*.Hα-helixtrans-59.7-47.9172.1-176.9179172.6-178.60111.5I142 S143 S144 A148 C149 E150I142-K146 PolarHBondContact O-N 2.88Å; S143-K146 WeakPolarHBondContact O-CB 3.39Å; S143-K146 PolarHBondContact O-N 3.5Å; S144-K146 VanDerWaalsContact C-N 3.29Å; S144-K146 PolarHBondContact O-N 2.92Å; K146-A148 VanDerWaalsContact C-N 3.34Å; K146-A148 PolarHBondContact O-N 2.8Å; K146-C149 PolarHBondContact O-N 3.48Å; K146-E150 WeakPolarHBondContact CE-OE1 3.49Å; K146-E150 IonicContact NZ-OE1 2.9Å; K146-E150 WeakPolarHBondContact O-CB 3.2Å; K146-E150 WeakPolarHBondContact O-CG 3.5Å; K146-E150 PolarHBondContact O-N 3.28Å
147H93.4Very high89.7Confident36 Ų3657.9 Ų57.917%0.16733%0.325CS..Hα-helixtrans-61.4-41.6175.4-71-52.2000112.3C134 S143 S144 E150 I151C134-H147 HydrophobicContact CB-CB 4.22Å; S143-H147 PolarHBondContact O-CD2 2.98Å; S143-H147 PolarHBondContact O-N 3.42Å; S144-H147 WeakPolarHBondContact O-CB 3.32Å; S144-H147 PolarHBondContact O-N 3.38Å; S144-H147 VanDerWaalsContact O-N 3.15Å; H147-E150 IonicContact ND1-OE2 3.66Å; H147-E150 PolarHBondContact O-N 3.22Å; H147-I151 WeakPolarHBondContact O-CB 3.44Å; H147-I151 WeakPolarHBondContact O-CD1 2.94Å; H147-I151 WeakPolarHBondContact O-CG1 3.43Å; H147-I151 PolarHBondContact O-N 3.26Å
148A95.1Very high89.1Confident1 Ų160 Ų601%0.00836%0.357CS..Hα-helixtrans-58.7-49.3176.900000111.4F130 S144 M145 K146 E150 I151 L152 L171F130-A148 HydrophobicContact CE1-CB 3.96Å; S144-A148 PolarHBondContact O-N 2.83Å; M145-A148 PolarHBondContact O-N 3.44Å; K146-A148 VanDerWaalsContact C-N 3.34Å; K146-A148 PolarHBondContact O-N 2.8Å; A148-E150 PolarHBondContact O-N 3.31Å; A148-I151 PolarHBondContact O-N 3.31Å; A148-L152 VanDerWaalsContact O-CB 3.28Å; A148-L152 WeakPolarHBondContact O-CB 3.23Å; A148-L152 VanDerWaalsContact O-CG 3.24Å; A148-L152 WeakPolarHBondContact O-CG 3.26Å; A148-L152 PolarHBondContact O-N 2.92Å; A148-L171 HydrophobicContact CB-CD1 4.02Å
149C94.6Very high89.1Confident20 Ų2060.3 Ų60.314%0.13536%0.36CS..Hα-helixtrans-59.3-47.8176.5-69.60000112.3M145 K146 I151 L152 T153 S161M145-C149 PolarHBondContact O-N 2.97Å; M145-C149 PolarHBondContact O-SG 3.01Å; K146-C149 PolarHBondContact O-N 3.48Å; C149-I151 VanDerWaalsContact C-N 3.27Å; C149-I151 PolarHBondContact O-N 3.15Å; C149-L152 PolarHBondContact O-N 2.81Å; C149-T153 WeakPolarHBondContact O-CB 3.43Å; C149-T153 WeakPolarHBondContact O-CG2 3.42Å; C149-T153 PolarHBondContact O-N 2.77Å; C149-S161 WeakPolarHBondContact CB-O 3.35Å
150E93Very high89.3Confident78 Ų7861.1 Ų61.136%0.36435%0.352SS..Hα-helixtrans-63.6-30.7179.9-73.6174.4175.100113.2K146 H147 A148K146-E150 WeakPolarHBondContact CE-OE1 3.49Å; K146-E150 IonicContact NZ-OE1 2.9Å; K146-E150 WeakPolarHBondContact O-CB 3.2Å; K146-E150 WeakPolarHBondContact O-CG 3.5Å; K146-E150 PolarHBondContact O-N 3.28Å; H147-E150 IonicContact ND1-OE2 3.66Å; H147-E150 PolarHBondContact O-N 3.22Å; A148-E150 PolarHBondContact O-N 3.31Å
151I93.3Very high89.4Confident9 Ų959.6 Ų59.65%0.04634%0.341CS..Hα-helixtrans-84.2-41.1-179.6-68165.4000111.8P76 L79 K80 F130 H147 A148 C149P76-I151 HydrophobicContact CB-CD1 4.27Å; P76-I151 HydrophobicContact CB-CG1 4.4Å; L79-I151 HydrophobicContact CB-CD1 4.13Å; L79-I151 HydrophobicContact CD2-CD1 3.84Å; L79-I151 HydrophobicContact CG-CD1 4.15Å; K80-I151 HydrophobicContact CB-CG2 3.78Å; K80-I151 HydrophobicContact CG-CG2 3.97Å; F130-I151 HydrophobicContact CE2-CB 4.24Å; F130-I151 HydrophobicContact CE2-CD1 4.23Å; F130-I151 HydrophobicContact CE2-CG2 3.62Å; F130-I151 HydrophobicContact CZ-CB 3.94Å; F130-I151 HydrophobicContact CZ-CD1 4.26Å; F130-I151 HydrophobicContact CZ-CG2 3.75Å; H147-I151 WeakPolarHBondContact O-CB 3.44Å; H147-I151 WeakPolarHBondContact O-CD1 2.94Å; H147-I151 WeakPolarHBondContact O-CG1 3.43Å; H147-I151 PolarHBondContact O-N 3.26Å; A148-I151 PolarHBondContact O-N 3.31Å; C149-I151 VanDerWaalsContact C-N 3.27Å; C149-I151 PolarHBondContact O-N 3.15Å
152L94.1Very high89.4Confident33 Ų3365 Ų6517%0.17336%0.36CS..Hα-helixtrans-85.3-19.9-174.3-65.3176000113.7H83 M127 F130 A148 C149 I163 T167 L171H83-L152 WeakPolarHBondContact CE1-CD2 3.37Å; H83-L152 WeakPolarHBondContact NE2-CD2 3.35Å; M127-L152 HydrophobicContact CE-CD1 3.96Å; M127-L152 HydrophobicContact CE-CD2 4.38Å; F130-L152 HydrophobicContact CE1-CD1 3.71Å; F130-L152 HydrophobicContact CE1-CD2 4.02Å; F130-L152 HydrophobicContact CE1-CG 3.8Å; F130-L152 HydrophobicContact CZ-CD1 4.24Å; F130-L152 HydrophobicContact CZ-CD2 3.93Å; F130-L152 HydrophobicContact CZ-CG 3.8Å; A148-L152 VanDerWaalsContact O-CB 3.28Å; A148-L152 WeakPolarHBondContact O-CB 3.23Å; A148-L152 VanDerWaalsContact O-CG 3.24Å; A148-L152 WeakPolarHBondContact O-CG 3.26Å; A148-L152 PolarHBondContact O-N 2.92Å; C149-L152 PolarHBondContact O-N 2.81Å; L152-I163 HydrophobicContact CB-CG2 3.8Å; L152-I163 HydrophobicContact CD1-CD1 4.47Å; L152-T167 HydrophobicContact CD1-CG2 3.95Å; L152-L171 HydrophobicContact CD1-CD1 3.7Å
153T92.2Very high89.6Confident22 Ų2259.8 Ų59.814%0.13533%0.333CS..  trans-60.1145-177.8-175.60000112.9C149 D155 S161 R162C149-T153 WeakPolarHBondContact O-CB 3.43Å; C149-T153 WeakPolarHBondContact O-CG2 3.42Å; C149-T153 PolarHBondContact O-N 2.77Å; T153-D155 VanDerWaalsContact OG1-CB 3.29Å; T153-D155 WeakPolarHBondContact OG1-CB 3.3Å; T153-D155 PolarHBondContact OG1-N 2.86Å; T153-S161 WeakPolarHBondContact OG1-CA 3.43Å; T153-R162 PolarHBondContact OG1-N 3.18Å; T153-R162 PolarHBondContact OG1-O 3.13Å
154T87.5Confident89.7Confident142 Ų14262.6 Ų62.687%0.87135%0.351SS*.  trans-98.8-2.8167.360.30000112.8
155D87.6Confident89.7Confident38 Ų3864.3 Ų64.320%0.20336%0.358CS..SBendtrans-60.6155.4173.5-72.2-40.5000110.7T153 P160 S161 R162T153-D155 VanDerWaalsContact OG1-CB 3.29Å; T153-D155 WeakPolarHBondContact OG1-CB 3.3Å; T153-D155 PolarHBondContact OG1-N 2.86Å; D155-P160 WeakPolarHBondContact OD2-CG 3.42Å; D155-S161 PolarHBondContact OD2-N 2.83Å; D155-R162 IonicContact OD1-CZ 3.93Å; D155-R162 IonicContact OD1-NE 2.61Å; D155-R162 PolarHBondContact OD1-NE 3.41Å; D155-R162 IonicContact OD1-NH2 3.8Å; D155-R162 PolarHBondContact OD1-NH2 3.5Å; D155-R162 WeakPolarHBondContact OD2-CB 3.37Å; D155-R162 IonicContact OD2-CZ 3.96Å; D155-R162 PolarHBondContact OD2-N 3.47Å; D155-R162 IonicContact OD2-NE 3.81Å; D155-R162 PolarHBondContact OD2-NE 2.76Å; D155-R162 VanDerWaalsContact OD2-NE 3.13Å; D155-R162 IonicContact OD2-NH2 3.52Å
156E82.9Confident89.6Confident175 Ų17569.8 Ų69.882%0.81839%0.388SS*.PPolyproline II helixtrans-60.2154.7171.4-63.7-171.4168.200111.6G158 G159E156-G158 PolarHBondContact O-N 3.3Å; E156-G159 WeakPolarHBondContact O-CA 3.18Å; E156-G159 PolarHBondContact O-N 3.15Å
157E75.3Confident89.6Confident144 Ų14465.6 Ų65.667%0.67337%0.373SS*.THydrogen-bonded Turntrans-60.4130.8-178.8-165.5176156.100111.3R60R60-E157 VanDerWaalsContact CD-OE1 3.29Å; R60-E157 WeakPolarHBondContact CD-OE1 3.49Å; R60-E157 IonicContact CZ-OE1 2.71Å; R60-E157 IonicContact NE-OE1 3.97Å; R60-E157 PolarHBondContact NE-OE1 3.27Å; R60-E157 IonicContact NE-OE2 3.9Å; R60-E157 IonicContact NH1-OE1 2.74Å; R60-E157 PolarHBondContact NH1-OE1 3.49Å; R60-E157 IonicContact NH2-OE1 2.55Å
158G76.3Confident89.7Confident85 Ų8565.6 Ų65.688%0.87637%0.373SS*.THydrogen-bonded Turntrans81.8-0.2-172.100000114.3E156E156-G158 PolarHBondContact O-N 3.3Å
159G82.4Confident89.6Confident31 Ų3166.4 Ų66.432%0.3238%0.379SS..SBendtrans-72.4-178.6170.700000113.7E156 S161E156-G159 WeakPolarHBondContact O-CA 3.18Å; E156-G159 PolarHBondContact O-N 3.15Å; G159-S161 PolarHBondContact O-N 3.28Å; G159-S161 VanDerWaalsContact O-N 3.07Å; G159-S161 PolarHBondContact O-OG 2.61Å
160P86.7Confident89.6Confident90 Ų9069.1 Ų69.158%0.58439%0.389SS*.  trans-72.1-1.6-17329.2-34.1000114.6D155 R162D155-P160 WeakPolarHBondContact OD2-CG 3.42Å; P160-R162 HydrophobicContact CB-CG 4.22Å; P160-R162 HydrophobicContact CG-CG 4Å; P160-R162 PolarHBondContact O-N 3.4Å
161S91Very high89.7Confident28 Ų2865.4 Ų65.420%0.19637%0.372CS..  trans57.547.4176.9-56.80000113.6C149 T153 D155 G159C149-S161 WeakPolarHBondContact CB-O 3.35Å; T153-S161 WeakPolarHBondContact OG1-CA 3.43Å; D155-S161 PolarHBondContact OD2-N 2.83Å; G159-S161 PolarHBondContact O-N 3.28Å; G159-S161 VanDerWaalsContact O-N 3.07Å; G159-S161 PolarHBondContact O-OG 2.61Å
162R90.8Very high89.8Confident128 Ų12865.9 Ų65.948%0.48337%0.373SS..  trans-74.7137.5-177.3-68.5171.1-71.1-165-1.5111.3T153 D155 P160 Y201T153-R162 PolarHBondContact OG1-N 3.18Å; T153-R162 PolarHBondContact OG1-O 3.13Å; D155-R162 IonicContact OD1-CZ 3.93Å; D155-R162 IonicContact OD1-NE 2.61Å; D155-R162 PolarHBondContact OD1-NE 3.41Å; D155-R162 IonicContact OD1-NH2 3.8Å; D155-R162 PolarHBondContact OD1-NH2 3.5Å; D155-R162 WeakPolarHBondContact OD2-CB 3.37Å; D155-R162 IonicContact OD2-CZ 3.96Å; D155-R162 PolarHBondContact OD2-N 3.47Å; D155-R162 IonicContact OD2-NE 3.81Å; D155-R162 PolarHBondContact OD2-NE 2.76Å; D155-R162 VanDerWaalsContact OD2-NE 3.13Å; D155-R162 IonicContact OD2-NH2 3.52Å; P160-R162 HydrophobicContact CB-CG 4.22Å; P160-R162 HydrophobicContact CG-CG 4Å; P160-R162 PolarHBondContact O-N 3.4Å; R162-Y201 PolarHBondContact NH1-OH 3.01Å
163I94.3Very high89.7Confident31 Ų3166.4 Ų66.416%0.15938%0.378CS..  trans-131.516117465.6169.3000110.1L152 F168L152-I163 HydrophobicContact CB-CG2 3.8Å; L152-I163 HydrophobicContact CD1-CD1 4.47Å; I163-F168 HydrophobicContact CD1-CB 3.88Å; I163-F168 HydrophobicContact CD1-CD2 4.12Å; I163-F168 HydrophobicContact CG1-CB 4.14Å; I163-F168 HydrophobicContact CG1-CD2 4.48Å
164P93Very high89.8Confident85 Ų8566.6 Ų66.655%0.55238%0.376SS*.  trans-57.3139.5174-23.934.7000111.9D166 T167 F168P164-D166 VanDerWaalsContact C-N 3.29Å; P164-D166 PolarHBondContact O-N 3.23Å; P164-T167 WeakPolarHBondContact O-CB 3.43Å; P164-T167 PolarHBondContact O-N 2.73Å; P164-F168 PolarHBondContact O-N 3.47Å
165F92.3Very high90Very high37 Ų3760.2 Ų60.216%0.16234%0.337CS..Hα-helixtrans-59.9-38.9-179175.9-96.4000112.3T167 F168 S169 L191 L194 Q195 V198F165-T167 VanDerWaalsContact C-N 3.32Å; F165-T167 PolarHBondContact O-N 2.86Å; F165-F168 PolarHBondContact O-N 3.15Å; F165-S169 WeakPolarHBondContact CE1-OG 3.41Å; F165-S169 WeakPolarHBondContact CZ-OG 3.34Å; F165-S169 WeakPolarHBondContact O-CB 3.43Å; F165-S169 PolarHBondContact O-N 3.43Å; F165-S169 PolarHBondContact O-OG 3.34Å; F165-L191 WeakPolarHBondContact CZ-O 3.34Å; F165-L194 HydrophobicContact CD2-CD2 4.44Å; F165-L194 HydrophobicContact CD2-CG 4.45Å; F165-L194 HydrophobicContact CE2-CB 4.16Å; F165-L194 HydrophobicContact CE2-CD2 4.08Å; F165-L194 HydrophobicContact CE2-CG 4.04Å; F165-Q195 HydrophobicContact CD1-CG 4.18Å; F165-Q195 HydrophobicContact CE1-CB 3.92Å; F165-Q195 HydrophobicContact CE1-CG 3.69Å; F165-Q195 HydrophobicContact CE2-CB 3.91Å; F165-Q195 HydrophobicContact CE2-CG 4.4Å; F165-Q195 HydrophobicContact CZ-CB 3.49Å; F165-Q195 VanDerWaalsContact CZ-CB 3.49Å; F165-Q195 HydrophobicContact CZ-CG 3.83Å; F165-V198 HydrophobicContact CD2-CG2 4.16Å
166D92.8Very high90.2Very high123 Ų12358.6 Ų58.666%0.65833%0.328SS*.Hα-helixtrans-64.1-40.6179.8-56.2-40.3000111.2P164 S169 H170P164-D166 VanDerWaalsContact C-N 3.29Å; P164-D166 PolarHBondContact O-N 3.23Å; D166-S169 PolarHBondContact O-N 3.45Å; D166-H170 WeakPolarHBondContact O-CB 3.39Å; D166-H170 PolarHBondContact O-N 3.45Å
167T93.8Very high90.5Very high42 Ų4256.2 Ų56.226%0.25832%0.317SS..Hα-helixtrans-64.5-45.3174.1-51.20000111.4M127 L152 P164 F165 S169 L171M127-T167 HydrophobicContact CE-CG2 3.75Å; L152-T167 HydrophobicContact CD1-CG2 3.95Å; P164-T167 WeakPolarHBondContact O-CB 3.43Å; P164-T167 PolarHBondContact O-N 2.73Å; F165-T167 VanDerWaalsContact C-N 3.32Å; F165-T167 PolarHBondContact O-N 2.86Å; T167-S169 VanDerWaalsContact C-N 3.34Å; T167-S169 PolarHBondContact O-N 3.41Å; T167-L171 HydrophobicContact CG2-CD1 4.11Å; T167-L171 VanDerWaalsContact O-CG 3.27Å; T167-L171 WeakPolarHBondContact O-CG 3.06Å; T167-L171 PolarHBondContact O-N 3.12Å; T167-L171 VanDerWaalsContact O-N 3.14Å
168F94.7Very high91.2Very high36 Ų3652 Ų5216%0.15830%0.299CS..Hα-helixtrans-59.2-47.2176.4-177.7-83000111.3M145 I163 P164 F165 L171 Y172 F190 L191 L194M145-F168 HydrophobicContact CB-CE2 4.32Å; M145-F168 HydrophobicContact CE-CB 4.5Å; M145-F168 HydrophobicContact CE-CD1 4.12Å; M145-F168 HydrophobicContact CE-CD2 3.34Å; M145-F168 HydrophobicContact CE-CE1 4.1Å; M145-F168 HydrophobicContact CE-CE2 3.33Å; M145-F168 HydrophobicContact CE-CG 3.74Å; M145-F168 HydrophobicContact CE-CZ 3.73Å; M145-F168 WeakPolarHBondContact CE-O 3.5Å; I163-F168 HydrophobicContact CD1-CB 3.88Å; I163-F168 HydrophobicContact CD1-CD2 4.12Å; I163-F168 HydrophobicContact CG1-CB 4.14Å; I163-F168 HydrophobicContact CG1-CD2 4.48Å; P164-F168 PolarHBondContact O-N 3.47Å; F165-F168 PolarHBondContact O-N 3.15Å; F168-L171 PolarHBondContact O-N 3.27Å; F168-Y172 HydrophobicContact CE1-CD2 4.1Å; F168-Y172 HydrophobicContact CE1-CG 4.39Å; F168-Y172 HydrophobicContact CZ-CD2 4.24Å; F168-Y172 WeakPolarHBondContact O-CB 3.3Å; F168-Y172 PolarHBondContact O-N 2.81Å; F168-F190 HydrophobicContact CE1-CE1 4.17Å; F168-L191 HydrophobicContact CD1-CD2 4.31Å; F168-L191 HydrophobicContact CE1-CD2 4.31Å; F168-L194 HydrophobicContact CD1-CD2 3.81Å; F168-L194 HydrophobicContact CE1-CD2 3.53Å; F168-L194 HydrophobicContact CZ-CD2 4.19Å
169S93.7Very high91.4Very high18 Ų1851.9 Ų51.913%0.12628%0.278CS..Hα-helixtrans-63.2-46.7-177.1-56.80000111.2F165 D166 T167 L171 Y172 T173F165-S169 WeakPolarHBondContact CE1-OG 3.41Å; F165-S169 WeakPolarHBondContact CZ-OG 3.34Å; F165-S169 WeakPolarHBondContact O-CB 3.43Å; F165-S169 PolarHBondContact O-N 3.43Å; F165-S169 PolarHBondContact O-OG 3.34Å; D166-S169 PolarHBondContact O-N 3.45Å; T167-S169 VanDerWaalsContact C-N 3.34Å; T167-S169 PolarHBondContact O-N 3.41Å; S169-L171 PolarHBondContact O-N 3.27Å; S169-Y172 PolarHBondContact O-N 2.88Å; S169-T173 WeakPolarHBondContact O-CB 3.16Å; S169-T173 PolarHBondContact O-N 3.14Å; S169-T173 PolarHBondContact O-OG1 2.83Å; S169-T173 VanDerWaalsContact O-OG1 3.06Å
170H94.5Very high91Very high76 Ų7653.5 Ų53.535%0.35229%0.294SS..Hα-helixtrans-57.7-47.4176.8176.158.8000112.3E128 D166 Y174E128-H170 IonicContact OE1-CE1 2.96Å; D166-H170 WeakPolarHBondContact O-CB 3.39Å; D166-H170 PolarHBondContact O-N 3.45Å; H170-Y174 WeakPolarHBondContact O-CB 3.31Å; H170-Y174 PolarHBondContact O-N 3.01Å; H170-Y174 VanDerWaalsContact O-N 3.12Å
171L95Very high90.2Very high1 Ų157 Ų571%0.00530%0.303CS..Hα-helixtrans-67.2-40.6179.7-65.9173.5000112.5M127 F130 A131 M145 A148 L152 T167 F168 S169 L175M127-L171 HydrophobicContact CB-CD2 4.4Å; M127-L171 HydrophobicContact CE-CD1 4.14Å; M127-L171 HydrophobicContact CE-CD2 4.09Å; M127-L171 HydrophobicContact CE-CG 4.39Å; M127-L171 VanDerWaalsContact O-CD2 3.27Å; M127-L171 WeakPolarHBondContact O-CD2 3.4Å; F130-L171 HydrophobicContact CD1-CD2 4.33Å; F130-L171 HydrophobicContact CE1-CD1 4.38Å; A131-L171 HydrophobicContact CB-CD2 3.67Å; M145-L171 HydrophobicContact CE-CB 4.03Å; M145-L171 HydrophobicContact SD-CB 3.96Å; A148-L171 HydrophobicContact CB-CD1 4.02Å; L152-L171 HydrophobicContact CD1-CD1 3.7Å; T167-L171 HydrophobicContact CG2-CD1 4.11Å; T167-L171 VanDerWaalsContact O-CG 3.27Å; T167-L171 WeakPolarHBondContact O-CG 3.06Å; T167-L171 PolarHBondContact O-N 3.12Å; T167-L171 VanDerWaalsContact O-N 3.14Å; F168-L171 PolarHBondContact O-N 3.27Å; S169-L171 PolarHBondContact O-N 3.27Å; L171-L175 WeakPolarHBondContact O-CB 3.48Å; L171-L175 WeakPolarHBondContact O-CG 3.38Å; L171-L175 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-N 3.08Å
172Y93.9Very high89.3Confident19 Ų1958.9 Ų58.98%0.07531%0.309CS..Hα-helixtrans-63.9-51.1178.9-173.8-79.8000111L141 M145 F168 S169 Y174 L175 A176 E182 T187 F190 L191L141-Y172 HydrophobicContact CD1-CD2 4.47Å; L141-Y172 HydrophobicContact CD2-CD2 4.43Å; L141-Y172 HydrophobicContact CD2-CE1 4.11Å; L141-Y172 HydrophobicContact CD2-CE2 3.74Å; L141-Y172 HydrophobicContact CG-CD2 4.43Å; L141-Y172 HydrophobicContact CG-CE2 4.02Å; M145-Y172 HydrophobicContact CG-CD2 4.01Å; F168-Y172 HydrophobicContact CE1-CD2 4.1Å; F168-Y172 HydrophobicContact CE1-CG 4.39Å; F168-Y172 HydrophobicContact CZ-CD2 4.24Å; F168-Y172 WeakPolarHBondContact O-CB 3.3Å; F168-Y172 PolarHBondContact O-N 2.81Å; S169-Y172 PolarHBondContact O-N 2.88Å; Y172-Y174 PolarHBondContact O-N 3.07Å; Y172-L175 PolarHBondContact O-N 3.35Å; Y172-A176 HydrophobicContact CD1-CB 4.5Å; Y172-A176 HydrophobicContact CE1-CB 4.29Å; Y172-A176 WeakPolarHBondContact O-CB 3.41Å; Y172-A176 PolarHBondContact O-N 3.09Å; Y172-E182 PolarHBondContact OH-OE1 3.38Å; Y172-E182 PolarHBondContact OH-OE2 2.95Å; Y172-T187 HydrophobicContact CD1-CG2 3.68Å; Y172-T187 HydrophobicContact CE1-CG2 3.64Å; Y172-F190 HydrophobicContact CD2-CD1 4.49Å; Y172-F190 HydrophobicContact CD2-CE1 4.07Å; Y172-F190 HydrophobicContact CE1-CD1 4.07Å; Y172-F190 AromaticContact CE2-CD1 3.99Å; Y172-F190 HydrophobicContact CE2-CD1 3.99Å; Y172-F190 AromaticContact CE2-CE1 3.69Å; Y172-F190 HydrophobicContact CE2-CE1 3.69Å; Y172-F190 AromaticContact CZ-CD1 3.77Å; Y172-F190 AromaticContact CZ-CE1 3.98Å; Y172-L191 HydrophobicContact CD1-CD2 4.37Å; Y172-L191 HydrophobicContact CG-CD2 4.41Å
173T93.1Very high88.6Confident44 Ų4455.8 Ų55.827%0.2731%0.305SS..Hα-helixtrans-58.2-49.6179.7-62.10000111S169 L175 A176 E177 L191S169-T173 WeakPolarHBondContact O-CB 3.16Å; S169-T173 PolarHBondContact O-N 3.14Å; S169-T173 PolarHBondContact O-OG1 2.83Å; S169-T173 VanDerWaalsContact O-OG1 3.06Å; T173-L175 VanDerWaalsContact C-N 3.35Å; T173-L175 PolarHBondContact O-N 2.81Å; T173-A176 PolarHBondContact O-N 2.6Å; T173-E177 WeakPolarHBondContact CG2-OE1 3.29Å; T173-E177 WeakPolarHBondContact O-CG 3.4Å; T173-E177 PolarHBondContact O-N 2.92Å; T173-L191 WeakPolarHBondContact OG1-CD1 3.29Å
174Y94Very high87.8Confident26 Ų2661.3 Ų61.310%0.10233%0.33CS..Hα-helixtrans-59.5-43179.4175.5-102.8000112.7F120 E128 A131 L132 H170 Y172 I178F120-Y174 WeakPolarHBondContact CZ-OH 3.38Å; E128-Y174 HydrophobicContact CB-CD1 4.18Å; E128-Y174 HydrophobicContact CB-CD2 4.26Å; E128-Y174 HydrophobicContact CB-CE1 3.72Å; E128-Y174 HydrophobicContact CB-CE2 3.81Å; E128-Y174 HydrophobicContact CB-CG 4.42Å; E128-Y174 HydrophobicContact CG-CD1 4.25Å; E128-Y174 HydrophobicContact CG-CD2 3.74Å; E128-Y174 HydrophobicContact CG-CE1 4.22Å; E128-Y174 HydrophobicContact CG-CE2 3.71Å; E128-Y174 HydrophobicContact CG-CG 4.01Å; E128-Y174 WeakPolarHBondContact O-CE1 3.44Å; A131-Y174 HydrophobicContact CB-CD1 3.77Å; A131-Y174 HydrophobicContact CB-CE1 4.09Å; L132-Y174 HydrophobicContact CD2-CE1 4.02Å; L132-Y174 HydrophobicContact CG-CE1 4.01Å; H170-Y174 WeakPolarHBondContact O-CB 3.31Å; H170-Y174 PolarHBondContact O-N 3.01Å; H170-Y174 VanDerWaalsContact O-N 3.12Å; Y172-Y174 PolarHBondContact O-N 3.07Å; Y174-I178 HydrophobicContact CD1-CD1 3.77Å; Y174-I178 HydrophobicContact CD2-CD1 4.14Å; Y174-I178 HydrophobicContact CE1-CD1 3.24Å; Y174-I178 HydrophobicContact CE2-CD1 3.67Å; Y174-I178 HydrophobicContact CG-CD1 4.19Å; Y174-I178 WeakPolarHBondContact O-CD1 3.46Å; Y174-I178 WeakPolarHBondContact O-CG1 3.41Å; Y174-I178 PolarHBondContact O-N 3.46Å; Y174-I178 WeakPolarHBondContact OH-CD1 3.24Å
175L92.6Very high87.1Confident8 Ų862.9 Ų62.94%0.04233%0.334CS..Hα-helixtrans-70.3-37.3178-73.3176.5000112.9A131 L132 L141 M145 L171 Y172 T173 I178 D179A131-L175 HydrophobicContact CB-CD1 4.15Å; A131-L175 HydrophobicContact CB-CD2 3.9Å; A131-L175 HydrophobicContact CB-CG 3.87Å; L132-L175 HydrophobicContact CD2-CD2 4.31Å; L141-L175 HydrophobicContact CD1-CB 3.4Å; L141-L175 VanDerWaalsContact CD1-CB 3.4Å; L141-L175 HydrophobicContact CD1-CD1 4.24Å; L141-L175 HydrophobicContact CD1-CG 4.47Å; M145-L175 HydrophobicContact SD-CD1 4.11Å; L171-L175 WeakPolarHBondContact O-CB 3.48Å; L171-L175 WeakPolarHBondContact O-CG 3.38Å; L171-L175 PolarHBondContact O-N 3.41Å; L171-L175 VanDerWaalsContact O-N 3.08Å; Y172-L175 PolarHBondContact O-N 3.35Å; T173-L175 VanDerWaalsContact C-N 3.35Å; T173-L175 PolarHBondContact O-N 2.81Å; L175-I178 PolarHBondContact O-N 3.43Å; L175-D179 WeakPolarHBondContact O-CB 3.36Å; L175-D179 PolarHBondContact O-N 2.77Å
176A91.5Very high86.6Confident3 Ų366.8 Ų66.83%0.02535%0.353CS..Hα-helixtrans-64.2-40.5176.900000111.6L141 Y172 T173 I178 D179 G180 T187L141-A176 HydrophobicContact CD2-CB 4.18Å; Y172-A176 HydrophobicContact CD1-CB 4.5Å; Y172-A176 HydrophobicContact CE1-CB 4.29Å; Y172-A176 WeakPolarHBondContact O-CB 3.41Å; Y172-A176 PolarHBondContact O-N 3.09Å; T173-A176 PolarHBondContact O-N 2.6Å; A176-I178 VanDerWaalsContact C-N 3.32Å; A176-I178 PolarHBondContact O-N 3.49Å; A176-D179 PolarHBondContact O-N 2.85Å; A176-G180 PolarHBondContact O-N 2.85Å; A176-G180 VanDerWaalsContact O-N 3.08Å; A176-T187 HydrophobicContact CB-CG2 4.42Å
177E89.9Confident86.2Confident125 Ų12561.3 Ų61.358%0.58432%0.324SS*.Hα-helixtrans-61-39.4174.8-74173.1-169.400112.4T173T173-E177 WeakPolarHBondContact CG2-OE1 3.29Å; T173-E177 WeakPolarHBondContact O-CG 3.4Å; T173-E177 PolarHBondContact O-N 2.92Å
178I88.1Confident85.9Confident56 Ų5665.8 Ų65.829%0.28734%0.342SS..Hα-helixtrans-74.1-38.6179.9-71.2161.7000112.4L117 L132 Y174 L175 A176 G180L117-I178 HydrophobicContact CD1-CG2 3.88Å; L117-I178 HydrophobicContact CD2-CG2 4.31Å; L117-I178 HydrophobicContact CG-CG2 4.01Å; L132-I178 HydrophobicContact CD2-CD1 3.5Å; L132-I178 VanDerWaalsContact CD2-CD1 3.5Å; L132-I178 HydrophobicContact CD2-CG2 4.36Å; L132-I178 HydrophobicContact CG-CD1 4.47Å; Y174-I178 HydrophobicContact CD1-CD1 3.77Å; Y174-I178 HydrophobicContact CD2-CD1 4.14Å; Y174-I178 HydrophobicContact CE1-CD1 3.24Å; Y174-I178 HydrophobicContact CE2-CD1 3.67Å; Y174-I178 HydrophobicContact CG-CD1 4.19Å; Y174-I178 WeakPolarHBondContact O-CD1 3.46Å; Y174-I178 WeakPolarHBondContact O-CG1 3.41Å; Y174-I178 PolarHBondContact O-N 3.46Å; Y174-I178 WeakPolarHBondContact OH-CD1 3.24Å; L175-I178 PolarHBondContact O-N 3.43Å; A176-I178 VanDerWaalsContact C-N 3.32Å; A176-I178 PolarHBondContact O-N 3.49Å; I178-G180 VanDerWaalsContact C-N 3.27Å
179D81Confident85.6Confident83 Ų8368.9 Ų68.944%0.44436%0.36SS..Hα-helixtrans-67.9-32.3178.4-152.230.4000110.7L175 A176 E181L175-D179 WeakPolarHBondContact O-CB 3.36Å; L175-D179 PolarHBondContact O-N 2.77Å; A176-D179 PolarHBondContact O-N 2.85Å; D179-E181 PolarHBondContact O-N 2.97Å
180G74.9Confident85.4Confident64 Ų6472.1 Ų72.166%0.6637%0.372SS*.  trans663.5175.900000114.5A176 I178A176-G180 PolarHBondContact O-N 2.85Å; A176-G180 VanDerWaalsContact O-N 3.08Å; I178-G180 VanDerWaalsContact C-N 3.27Å
181E70.3Confident85.2Confident163 Ų16369.4 Ų69.476%0.76236%0.36SS*.  trans-86.2-27.2179.4-66-161.2161.200112.6D179D179-E181 PolarHBondContact O-N 2.97Å
182E70.8Confident85Confident68 Ų6874 Ų7432%0.31838%0.381SS..SBendtrans-97.6124.9-179.6-71.4-165.5170.800111.8Y172Y172-E182 PolarHBondContact OH-OE1 3.38Å; Y172-E182 PolarHBondContact OH-OE2 2.95Å
183P77.2Confident84.8Confident64 Ų6478 Ų7842%0.41640%0.404SS..  trans-62.1139.6169.8-17.629000111.2D185 Q186 T187P183-D185 PolarHBondContact O-N 3.49Å; P183-D185 VanDerWaalsContact O-N 3.11Å; P183-Q186 HydrophobicContact CB-CG 4.27Å; P183-Q186 HydrophobicContact CG-CG 4.13Å; P183-Q186 WeakPolarHBondContact O-CB 3.27Å; P183-Q186 PolarHBondContact O-N 3.43Å; P183-T187 PolarHBondContact O-N 3.15Å
184E77.2Confident84.7Confident146 Ų14677.7 Ų77.768%0.68240%0.4SS*.Hα-helixtrans-48.8-42.3178-70.1175.7-17700112.5Q186 T187 E188E184-Q186 VanDerWaalsContact C-N 3.27Å; E184-Q186 PolarHBondContact O-N 3.25Å; E184-T187 WeakPolarHBondContact O-CB 3.35Å; E184-T187 PolarHBondContact O-N 2.9Å; E184-E188 PolarHBondContact O-N 3.37Å
185D78.6Confident84.6Confident118 Ų11881.2 Ų81.263%0.63142%0.417SS*.Hα-helixtrans-58.6-35.2177.3-68.6-35.2000113.1P183 N189P183-D185 PolarHBondContact O-N 3.49Å; P183-D185 VanDerWaalsContact O-N 3.11Å; D185-N189 VanDerWaalsContact O-CB 3.3Å; D185-N189 WeakPolarHBondContact O-CB 3.31Å; D185-N189 VanDerWaalsContact O-CG 3.24Å; D185-N189 PolarHBondContact O-N 3.12Å; D185-N189 VanDerWaalsContact O-N 3.14Å; D185-N189 PolarHBondContact O-ND2 2.87Å
186Q82Confident84.3Confident119 Ų11984.8 Ų84.856%0.55643%0.434SS*.Hα-helixtrans-73.7-40.8179-66.2-170.9-500111P183 E184 N189 F190P183-Q186 HydrophobicContact CB-CG 4.27Å; P183-Q186 HydrophobicContact CG-CG 4.13Å; P183-Q186 WeakPolarHBondContact O-CB 3.27Å; P183-Q186 PolarHBondContact O-N 3.43Å; E184-Q186 VanDerWaalsContact C-N 3.27Å; E184-Q186 PolarHBondContact O-N 3.25Å; Q186-N189 PolarHBondContact O-N 3.28Å; Q186-F190 WeakPolarHBondContact O-CB 3.45Å; Q186-F190 PolarHBondContact O-N 3.32Å
187T84.5Confident84.2Confident9 Ų990.6 Ų90.66%0.05546%0.46CS..Hα-helixtrans-60.9-48.9175.2-580000111.3Y172 A176 P183 E184 N189 F190 L191Y172-T187 HydrophobicContact CD1-CG2 3.68Å; Y172-T187 HydrophobicContact CE1-CG2 3.64Å; A176-T187 HydrophobicContact CB-CG2 4.42Å; P183-T187 PolarHBondContact O-N 3.15Å; E184-T187 WeakPolarHBondContact O-CB 3.35Å; E184-T187 PolarHBondContact O-N 2.9Å; T187-N189 PolarHBondContact O-N 3.4Å; T187-F190 PolarHBondContact O-N 3.08Å; T187-L191 HydrophobicContact CG2-CD1 4.11Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.44Å
188E86.3Confident84Confident135 Ų13587 Ų8763%0.63145%0.447SS*.Hα-helixtrans-62.3-44.5178.4-72.3-169.2170.200112.2E184 F190 L191 H192E184-E188 PolarHBondContact O-N 3.37Å; E188-F190 VanDerWaalsContact C-N 3.35Å; E188-F190 PolarHBondContact O-N 2.98Å; E188-L191 PolarHBondContact O-N 3.34Å; E188-H192 WeakPolarHBondContact O-CB 3.36Å; E188-H192 PolarHBondContact O-N 2.83Å
189N88.9Confident83.9Confident101 Ų10192 Ų9254%0.5446%0.464SS..Hα-helixtrans-61.9-42.5177.6-80.8-48.4000112D185 Q186 T187 H192 L193D185-N189 VanDerWaalsContact O-CB 3.3Å; D185-N189 WeakPolarHBondContact O-CB 3.31Å; D185-N189 VanDerWaalsContact O-CG 3.24Å; D185-N189 PolarHBondContact O-N 3.12Å; D185-N189 VanDerWaalsContact O-N 3.14Å; D185-N189 PolarHBondContact O-ND2 2.87Å; Q186-N189 PolarHBondContact O-N 3.28Å; T187-N189 PolarHBondContact O-N 3.4Å; N189-H192 PolarHBondContact O-N 2.96Å; N189-L193 VanDerWaalsContact O-CG 3.31Å; N189-L193 WeakPolarHBondContact O-CG 3.47Å; N189-L193 PolarHBondContact O-N 3.03Å
190F89.4Confident84Confident86 Ų8693.9 Ų93.938%0.37747%0.467SS..Hα-helixtrans-61.3-49.7176.1173.2-105.9000111.6F168 Y172 Q186 T187 E188 H192 L193 L194F168-F190 HydrophobicContact CE1-CE1 4.17Å; Y172-F190 HydrophobicContact CD2-CD1 4.49Å; Y172-F190 HydrophobicContact CD2-CE1 4.07Å; Y172-F190 HydrophobicContact CE1-CD1 4.07Å; Y172-F190 AromaticContact CE2-CD1 3.99Å; Y172-F190 HydrophobicContact CE2-CD1 3.99Å; Y172-F190 AromaticContact CE2-CE1 3.69Å; Y172-F190 HydrophobicContact CE2-CE1 3.69Å; Y172-F190 AromaticContact CZ-CD1 3.77Å; Y172-F190 AromaticContact CZ-CE1 3.98Å; Q186-F190 WeakPolarHBondContact O-CB 3.45Å; Q186-F190 PolarHBondContact O-N 3.32Å; T187-F190 PolarHBondContact O-N 3.08Å; E188-F190 VanDerWaalsContact C-N 3.35Å; E188-F190 PolarHBondContact O-N 2.98Å; F190-H192 VanDerWaalsContact C-N 3.34Å; F190-H192 PolarHBondContact O-N 3.35Å; F190-L193 PolarHBondContact O-N 3.23Å; F190-L194 HydrophobicContact CE1-CD2 4.37Å; F190-L194 HydrophobicContact CZ-CD2 4.44Å; F190-L194 WeakPolarHBondContact O-CB 3.47Å; F190-L194 PolarHBondContact O-N 3.18Å
191L90.9Very high84.4Confident19 Ų1996.8 Ų96.810%0.09946%0.46CS..Hα-helixtrans-62.5-40.4179.6-70176.3000111.9F165 F168 Y172 T173 T187 E188 L194 Q195F165-L191 WeakPolarHBondContact CZ-O 3.34Å; F168-L191 HydrophobicContact CD1-CD2 4.31Å; F168-L191 HydrophobicContact CE1-CD2 4.31Å; Y172-L191 HydrophobicContact CD1-CD2 4.37Å; Y172-L191 HydrophobicContact CG-CD2 4.41Å; T173-L191 WeakPolarHBondContact OG1-CD1 3.29Å; T187-L191 HydrophobicContact CG2-CD1 4.11Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.44Å; E188-L191 PolarHBondContact O-N 3.34Å; L191-L194 PolarHBondContact O-N 3.13Å; L191-Q195 WeakPolarHBondContact O-CB 3.44Å; L191-Q195 PolarHBondContact O-N 2.91Å
192H90.1Very high84.9Confident98 Ų9893 Ų9345%0.45445%0.445SS..Hα-helixtrans-63.8-44.2176.3176.8-106.7000112.2E188 N189 F190 L194 Q195 Q196E188-H192 WeakPolarHBondContact O-CB 3.36Å; E188-H192 PolarHBondContact O-N 2.83Å; N189-H192 PolarHBondContact O-N 2.96Å; F190-H192 VanDerWaalsContact C-N 3.34Å; F190-H192 PolarHBondContact O-N 3.35Å; H192-L194 VanDerWaalsContact C-N 3.33Å; H192-L194 PolarHBondContact O-N 3.11Å; H192-Q195 PolarHBondContact O-N 3.36Å; H192-Q196 PolarHBondContact CE1-NE2 2.95Å; H192-Q196 PolarHBondContact NE2-NE2 3.5Å; H192-Q196 WeakPolarHBondContact O-CG 3.02Å; H192-Q196 PolarHBondContact O-N 3.19Å; H192-Q196 VanDerWaalsContact O-N 3.13Å
193L90.6Very high85.2Confident103 Ų10397 Ų9754%0.53946%0.461SS..Hα-helixtrans-61.8-42175.1-72.1174.2000111.7N189 F190 Q196 Q197N189-L193 VanDerWaalsContact O-CG 3.31Å; N189-L193 WeakPolarHBondContact O-CG 3.47Å; N189-L193 PolarHBondContact O-N 3.03Å; F190-L193 PolarHBondContact O-N 3.23Å; L193-Q196 PolarHBondContact O-N 2.7Å; L193-Q197 WeakPolarHBondContact O-CG 3.25Å; L193-Q197 PolarHBondContact O-N 2.9Å
194L90.3Very high85Confident38 Ų38101.4 Ų101.420%0.19948%0.478CS..Hα-helixtrans-64.5-42.7177.5-173.564.6000111.3F165 F168 F190 L191 H192 Q196 Q197 V198F165-L194 HydrophobicContact CD2-CD2 4.44Å; F165-L194 HydrophobicContact CD2-CG 4.45Å; F165-L194 HydrophobicContact CE2-CB 4.16Å; F165-L194 HydrophobicContact CE2-CD2 4.08Å; F165-L194 HydrophobicContact CE2-CG 4.04Å; F168-L194 HydrophobicContact CD1-CD2 3.81Å; F168-L194 HydrophobicContact CE1-CD2 3.53Å; F168-L194 HydrophobicContact CZ-CD2 4.19Å; F190-L194 HydrophobicContact CE1-CD2 4.37Å; F190-L194 HydrophobicContact CZ-CD2 4.44Å; F190-L194 WeakPolarHBondContact O-CB 3.47Å; F190-L194 PolarHBondContact O-N 3.18Å; L191-L194 PolarHBondContact O-N 3.13Å; H192-L194 VanDerWaalsContact C-N 3.33Å; H192-L194 PolarHBondContact O-N 3.11Å; L194-Q196 VanDerWaalsContact C-N 3.3Å; L194-Q196 PolarHBondContact O-N 2.9Å; L194-Q197 WeakPolarHBondContact O-CB 3.38Å; L194-Q197 PolarHBondContact O-N 3.44Å; L194-V198 WeakPolarHBondContact O-CG2 3.41Å; L194-V198 PolarHBondContact O-N 3.03Å
195Q90.7Very high84.7Confident99 Ų9997.9 Ų97.946%0.46347%0.469SS..Hα-helixtrans-58.8-41.7177.2-161.9178.52800111.8F165 L191 H192 Q197 V198 Y199F165-Q195 HydrophobicContact CD1-CG 4.18Å; F165-Q195 HydrophobicContact CE1-CB 3.92Å; F165-Q195 HydrophobicContact CE1-CG 3.69Å; F165-Q195 HydrophobicContact CE2-CB 3.91Å; F165-Q195 HydrophobicContact CE2-CG 4.4Å; F165-Q195 HydrophobicContact CZ-CB 3.49Å; F165-Q195 VanDerWaalsContact CZ-CB 3.49Å; F165-Q195 HydrophobicContact CZ-CG 3.83Å; L191-Q195 WeakPolarHBondContact O-CB 3.44Å; L191-Q195 PolarHBondContact O-N 2.91Å; H192-Q195 PolarHBondContact O-N 3.36Å; Q195-Q197 VanDerWaalsContact C-N 3.31Å; Q195-Q197 PolarHBondContact O-N 3.41Å; Q195-V198 PolarHBondContact O-N 3.45Å; Q195-Y199 WeakPolarHBondContact O-CB 3.28Å; Q195-Y199 PolarHBondContact O-N 2.86Å
196Q88.1Confident83.8Confident84 Ų8496.7 Ų96.739%0.39347%0.47SS..Hα-helixtrans-62.8-38175.6-69.6-175.33.600112.4H192 L193 L194 K200H192-Q196 PolarHBondContact CE1-NE2 2.95Å; H192-Q196 PolarHBondContact NE2-NE2 3.5Å; H192-Q196 WeakPolarHBondContact O-CG 3.02Å; H192-Q196 PolarHBondContact O-N 3.19Å; H192-Q196 VanDerWaalsContact O-N 3.13Å; L193-Q196 PolarHBondContact O-N 2.7Å; L194-Q196 VanDerWaalsContact C-N 3.3Å; L194-Q196 PolarHBondContact O-N 2.9Å; Q196-K200 VanDerWaalsContact O-CG 3.31Å; Q196-K200 WeakPolarHBondContact O-CG 3.34Å; Q196-K200 PolarHBondContact O-N 3.48Å; Q196-K200 VanDerWaalsContact O-N 3.07Å
197Q87.9Confident82Confident124 Ų12493 Ų9358%0.57946%0.464SS*.Hα-helixtrans-67.5-44.3175.9-68.3180-2.600111.4L193 L194 Q195 Y199 K200 Y201L193-Q197 WeakPolarHBondContact O-CG 3.25Å; L193-Q197 PolarHBondContact O-N 2.9Å; L194-Q197 WeakPolarHBondContact O-CB 3.38Å; L194-Q197 PolarHBondContact O-N 3.44Å; Q195-Q197 VanDerWaalsContact C-N 3.31Å; Q195-Q197 PolarHBondContact O-N 3.41Å; Q197-Y199 VanDerWaalsContact C-N 3.33Å; Q197-Y199 PolarHBondContact O-N 3.38Å; Q197-K200 PolarHBondContact O-N 2.99Å; Q197-Y201 WeakPolarHBondContact O-CB 3.34Å; Q197-Y201 PolarHBondContact O-N 2.79Å
198V86.6Confident80.2Confident49 Ų4997.8 Ų97.830%0.29750%0.495SS..Hα-helixtrans-59.5-44.5175.7173.10000110.8F165 L194 Q195 K200 Y201 N202F165-V198 HydrophobicContact CD2-CG2 4.16Å; L194-V198 WeakPolarHBondContact O-CG2 3.41Å; L194-V198 PolarHBondContact O-N 3.03Å; Q195-V198 PolarHBondContact O-N 3.45Å; V198-K200 PolarHBondContact O-N 3.35Å; V198-Y201 PolarHBondContact O-N 3.19Å; V198-N202 WeakPolarHBondContact O-CB 3.27Å; V198-N202 VanDerWaalsContact O-CG 3.32Å; V198-N202 PolarHBondContact O-N 2.84Å
199Y84.8Confident78.3Confident163 Ų163100.9 Ų100.964%0.63951%0.509SS*.Hα-helixtrans-60.7-44.5176.4-178.8-100.9000112.4Q195 Q197 N202 K203Q195-Y199 WeakPolarHBondContact O-CB 3.28Å; Q195-Y199 PolarHBondContact O-N 2.86Å; Q197-Y199 VanDerWaalsContact C-N 3.33Å; Q197-Y199 PolarHBondContact O-N 3.38Å; Y199-N202 PolarHBondContact O-N 3.06Å; Y199-K203 WeakPolarHBondContact O-CB 3.38Å; Y199-K203 PolarHBondContact O-N 3.43Å
200K84.9Confident75.8Confident121 Ų121107.7 Ų107.753%0.52654%0.537SS..Hα-helixtrans-61.9-44.9175.6-74.1171.5-175.9172.80111.6Q196 Q197 V198 K203 M204Q196-K200 VanDerWaalsContact O-CG 3.31Å; Q196-K200 WeakPolarHBondContact O-CG 3.34Å; Q196-K200 PolarHBondContact O-N 3.48Å; Q196-K200 VanDerWaalsContact O-N 3.07Å; Q197-K200 PolarHBondContact O-N 2.99Å; V198-K200 PolarHBondContact O-N 3.35Å; K200-K203 PolarHBondContact O-N 3.26Å; K200-M204 WeakPolarHBondContact O-CG 3.43Å; K200-M204 PolarHBondContact O-N 3.42Å
201Y82Confident75.1Confident126 Ų126108.8 Ų108.849%0.49455%0.545SS..Hα-helixtrans-62.1-47.4178.6-179.4-93.8000111.7R162 Q197 V198 K203 M204 S205R162-Y201 PolarHBondContact NH1-OH 3.01Å; Q197-Y201 WeakPolarHBondContact O-CB 3.34Å; Q197-Y201 PolarHBondContact O-N 2.79Å; V198-Y201 PolarHBondContact O-N 3.19Å; Y201-K203 VanDerWaalsContact C-N 3.34Å; Y201-K203 PolarHBondContact O-N 2.9Å; Y201-M204 PolarHBondContact O-N 3.46Å; Y201-S205 WeakPolarHBondContact CE1-OG 3.42Å; Y201-S205 WeakPolarHBondContact O-CB 3.47Å; Y201-S205 PolarHBondContact O-N 3.42Å; Y201-S205 PolarHBondContact O-OG 3.01Å
202N82.2Confident74.3Confident84 Ų84113.5 Ų113.545%0.44957%0.569SS.*Hα-helixtrans-60.3-45.2177.2-72.4-15.2000110.8V198 Y199 M204 S205 S206V198-N202 WeakPolarHBondContact O-CB 3.27Å; V198-N202 VanDerWaalsContact O-CG 3.32Å; V198-N202 PolarHBondContact O-N 2.84Å; Y199-N202 PolarHBondContact O-N 3.06Å; N202-M204 VanDerWaalsContact C-N 3.3Å; N202-M204 PolarHBondContact O-N 3.06Å; N202-S205 PolarHBondContact O-N 2.72Å; N202-S205 VanDerWaalsContact O-N 3.1Å; N202-S206 WeakPolarHBondContact O-CB 3.36Å; N202-S206 PolarHBondContact O-N 2.88Å; N202-S206 PolarHBondContact O-OG 3.16Å
203K75.8Confident73.4Confident151 Ų151114.3 Ų114.366%0.65758%0.575SS**Hα-helixtrans-60.9-36.1176.8-171.9176.6179.61790113.3Y199 K200 Y201Y199-K203 WeakPolarHBondContact O-CB 3.38Å; Y199-K203 PolarHBondContact O-N 3.43Å; K200-K203 PolarHBondContact O-N 3.26Å; Y201-K203 VanDerWaalsContact C-N 3.34Å; Y201-K203 PolarHBondContact O-N 2.9Å
204M73.3Confident72.4Confident156 Ų156115 Ų11577%0.76858%0.577SS**Hα-helixtrans-73.9-32.3175.3-70.3174.5-178.500112.5K200 Y201 N202K200-M204 WeakPolarHBondContact O-CG 3.43Å; K200-M204 PolarHBondContact O-N 3.42Å; Y201-M204 PolarHBondContact O-N 3.46Å; N202-M204 VanDerWaalsContact C-N 3.3Å; N202-M204 PolarHBondContact O-N 3.06Å
205S69.9Low71.3Confident72 Ų72119.8 Ų119.850%0.50360%0.601SS.*Hα-helixtrans-78.1-28.1-179.4-51.60000112.7Y201 N202 G207Y201-S205 WeakPolarHBondContact CE1-OG 3.42Å; Y201-S205 WeakPolarHBondContact O-CB 3.47Å; Y201-S205 PolarHBondContact O-N 3.42Å; Y201-S205 PolarHBondContact O-OG 3.01Å; N202-S205 PolarHBondContact O-N 2.72Å; N202-S205 VanDerWaalsContact O-N 3.1Å; S205-G207 PolarHBondContact O-N 3Å
206S61.4Low70Confident94 Ų94121.2 Ų121.266%0.65761%0.61SS**THydrogen-bonded Turntrans-83.629.9176.4-48.40000113.8N202N202-S206 WeakPolarHBondContact O-CB 3.36Å; N202-S206 PolarHBondContact O-N 2.88Å; N202-S206 PolarHBondContact O-OG 3.16Å
207G44.3Very low68.7Low41 Ų41123.9 Ų123.942%0.42363%0.625SS.*  trans-51.1148.9178.400000112.7S205 H209S205-G207 PolarHBondContact O-N 3Å; G207-H209 PolarHBondContact O-N 2.91Å
208P46.6Very low67.3Low109 Ų109123.8 Ų123.871%0.70863%0.629SS**  trans-62121.1-158.725.6-33.4000111.3H210P208-H210 VanDerWaalsContact C-N 3.3Å; P208-H210 PolarHBondContact O-N 3.34Å
209H45.7Very low65.6Low200 Ų200130.1 Ų130.193%0.92666%0.657SS**  trans-60.699.7154.5-72.3-67.1000107.3G207G207-H209 PolarHBondContact O-N 2.91Å
210H36.9Very low63.9Low244 Ų244127.1 Ų127.1100%1.1366%0.658SS**  trans-100.80163.1-97.5-36.1000109.3P208P208-H210 VanDerWaalsContact C-N 3.3Å; P208-H210 PolarHBondContact O-N 3.34Å

Retrieved 210 of 210 residues in 105.4 ms (Link to these results)