A0A077ZLB0_TRITR Loading...

Glyco hydro 18 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 132 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
1M50.1Low54.3Low240 Ų240151.9 Ų151.9100%1.18283%0.833SS**  0103.20-77.3168.5161.700107.5
2H46.7Very low54.6Low194 Ų194154.3 Ų154.390%0.89883%0.829SS**  trans-109.8114.8177.8-74.9-61.8000109.1
3T50.8Low54.6Low142 Ų142152.7 Ų152.787%0.87183%0.828SS**PPolyproline II helixtrans-92.5120.8173.5410000109.6
4V53.4Low54.7Low145 Ų145151 Ų15188%0.87983%0.825SS**PPolyproline II helixtrans-85.6119.6169178.60000107.9
5S54.8Low54.2Low96 Ų96149.3 Ų149.367%0.67183%0.829SS**PPolyproline II helixtrans-79.8120.4175.3-165.70000109.6
6A58.7Low54Low86 Ų86142.4 Ų142.471%0.71180%0.801SS**  trans-84.9115.9175.800000109.9T8A6-T8 PolarHBondContact O-N 3.21Å
7Y55Low54.3Low224 Ų224137.4 Ų137.488%0.87879%0.789SS**  trans-73.3106.5169.4-68.7-84.9000109A9Y7-A9 PolarHBondContact O-N 2.95Å
8T58.8Low55.7Low127 Ų127139.8 Ų139.878%0.77980%0.799SS**  trans-79.9112.8168.8-57.20000107.9A6 L10A6-T8 PolarHBondContact O-N 3.21Å; T8-L10 PolarHBondContact O-N 3.12Å
9A60.2Low57.7Low89 Ų89141.8 Ų141.874%0.73679%0.794SS**  trans-66.4119.2171.200000109.2Y7 K11Y7-A9 PolarHBondContact O-N 2.95Å; A9-K11 PolarHBondContact O-N 3.07Å; A9-K11 VanDerWaalsContact O-N 3.12Å
10L52.1Low59.5Low143 Ų143140.2 Ų140.275%0.74979%0.787SS**  trans-63.5111170-110.787.3000108.7T8 F12T8-L10 PolarHBondContact O-N 3.12Å; L10-F12 HydrophobicContact CD2-CE2 4.3Å; L10-F12 PolarHBondContact O-N 3.46Å
11K56.5Low61.3Low185 Ų185138.5 Ų138.580%0.80477%0.769SS**  trans-76.4100.9163.2-74.8-171.8171.8-169.60108.3A9 T13A9-K11 PolarHBondContact O-N 3.07Å; A9-K11 VanDerWaalsContact O-N 3.12Å; K11-T13 PolarHBondContact O-N 2.82Å
12F58.3Low63.6Low181 Ų181129.2 Ų129.279%0.79473%0.734SS**  trans-64.3106.3165.1-89.3-87.7000108.5L10 V14L10-F12 HydrophobicContact CD2-CE2 4.3Å; L10-F12 PolarHBondContact O-N 3.46Å; F12-V14 PolarHBondContact O-N 3.09Å
13T55.2Low66Low133 Ų133121.7 Ų121.782%0.81670%0.703SS**  trans-80.2103.5164.55.60000106.7K11 S15K11-T13 PolarHBondContact O-N 2.82Å; T13-S15 VanDerWaalsContact C-N 3.32Å; T13-S15 PolarHBondContact O-N 3.25Å
14V55.3Low68.3Low129 Ų129122.1 Ų122.178%0.78269%0.69SS**  trans-67.498.7167.4175.30000107F12 G16F12-V14 PolarHBondContact O-N 3.09Å; V14-G16 VanDerWaalsContact C-N 3.31Å; V14-G16 PolarHBondContact O-N 3.34Å; V14-G16 VanDerWaalsContact O-N 3.09Å
15S47.5Very low70.5Confident126 Ų126115.7 Ų115.788%0.88165%0.65SS**  trans-72.785.8164.7159.10000108.3T13T13-S15 VanDerWaalsContact C-N 3.32Å; T13-S15 PolarHBondContact O-N 3.25Å
16G50Low72.6Confident38 Ų38112.4 Ų112.439%0.39263%0.626SS.*SBendtrans177.9106.6173.100000113.5V14 Y19V14-G16 VanDerWaalsContact C-N 3.31Å; V14-G16 PolarHBondContact O-N 3.34Å; V14-G16 VanDerWaalsContact O-N 3.09Å; G16-Y19 WeakPolarHBondContact O-CD2 3.34Å; G16-Y19 WeakPolarHBondContact O-CE2 3.17Å
17G60.1Low74.5Confident58 Ų58108.5 Ų108.560%0.59859%0.593SS**  trans60144.3166.900000117.1Y19G17-Y19 PolarHBondContact O-N 3.29Å
18N80.1Confident76.5Confident180 Ų180103 Ų10396%0.96357%0.571SS**  trans-72.174.7164.8-75.3-14.2000109.1
19Y92.4Very high78.4Confident179 Ų17997 Ų9770%0.70253%0.534SS*.  trans-86.4129.9175.8-67.3-72.5000110.7G16 G17 R21G16-Y19 WeakPolarHBondContact O-CD2 3.34Å; G16-Y19 WeakPolarHBondContact O-CE2 3.17Å; G17-Y19 PolarHBondContact O-N 3.29Å; Y19-R21 PolarHBondContact O-N 3.44Å
20V95.2Very high80.3Confident109 Ų10993.2 Ų93.266%0.66150%0.501SS*.  trans-65.4128.6173174.30000109.8Y50V20-Y50 HydrophobicContact CG1-CD2 3.7Å; V20-Y50 HydrophobicContact CG1-CE2 3.85Å; V20-Y50 HydrophobicContact CG2-CE2 4.46Å
21R96.3Very high82.5Confident105 Ų10591.5 Ų91.540%0.39649%0.485SS..  trans-115.4102.6175.3-59.3178.7-57.5128.4-2.4109.8Y19 D46 L47 E49 Y50Y19-R21 PolarHBondContact O-N 3.44Å; R21-D46 PolarHBondContact NH1-O 2.69Å; R21-D46 PolarHBondContact NH2-O 3.41Å; R21-L47 PolarHBondContact NH1-O 3.31Å; R21-E49 PolarHBondContact O-N 3.41Å; R21-Y50 PolarHBondContact O-N 2.84Å
22G97.7Very high84.5Confident44 Ų4488.7 Ų88.745%0.45447%0.47SS..EExtended strand (participates in β ladder)trans-109.9139.7-174.900000113.6Y50G22-Y50 CarbonylContact C-O 3.53Å; G22-Y50 WeakPolarHBondContact CA-O 3.48Å
23C98.6Very high86.4Confident37 Ų3787.9 Ų87.925%0.2547%0.468CS..EExtended strand (participates in β ladder)trans-133.8135178.5-63.90000111.5C48 Y50 V51 F52C23-C48 HydrophobicContact CB-CB 3.74Å; C23-C48 WeakPolarHBondContact CB-SG 3.47Å; C23-C48 WeakPolarHBondContact SG-CB 3.29Å; C23-C48 CovalentContact SG-SG 2Å; C23-C48 PolarHBondContact SG-SG 3Å; C23-Y50 PolarHBondContact N-O 2.98Å; C23-V51 CarbonylContact O-C 3.58Å; C23-V51 VanDerWaalsContact O-CA 3.27Å; C23-V51 WeakPolarHBondContact O-CA 3.34Å; C23-F52 PolarHBondContact O-N 3.48Å
24Y98.7Very high88.3Confident150 Ų15085.1 Ų85.159%0.58846%0.459SS*.EExtended strand (participates in β ladder)trans-91.2125.6172.6-85.3-100.8000110.5F52 A54Y24-F52 WeakPolarHBondContact CA-O 3.49Å; Y24-F52 HydrophobicContact CD1-CB 3.73Å; Y24-F52 HydrophobicContact CD2-CB 4.08Å; Y24-F52 HydrophobicContact CD2-CD2 4.15Å; Y24-F52 HydrophobicContact CD2-CG 4.38Å; Y24-F52 HydrophobicContact CE1-CB 3.66Å; Y24-F52 HydrophobicContact CE1-CG 4.37Å; Y24-F52 HydrophobicContact CE2-CB 4Å; Y24-F52 AromaticContact CE2-CD2 3.93Å; Y24-F52 HydrophobicContact CE2-CD2 3.93Å; Y24-F52 HydrophobicContact CE2-CG 4Å; Y24-F52 HydrophobicContact CG-CB 3.95Å; Y24-A54 HydrophobicContact CD1-CB 4.05Å
25F98.7Very high90.3Very high11 Ų1187.9 Ų87.95%0.04846%0.463CS..EExtended strand (participates in β ladder)trans-97.5129166.5176.3-87000108.7Y38 P40 V51 F52 Y53 A54F25-Y38 HydrophobicContact CD2-CD1 4.16Å; F25-Y38 AromaticContact CD2-CE1 3.88Å; F25-Y38 HydrophobicContact CD2-CE1 3.88Å; F25-Y38 AromaticContact CE2-CD1 3.85Å; F25-Y38 HydrophobicContact CE2-CD1 3.85Å; F25-Y38 AromaticContact CE2-CE1 3.92Å; F25-Y38 HydrophobicContact CE2-CE1 3.92Å; F25-P40 HydrophobicContact CE1-CG 4.4Å; F25-P40 HydrophobicContact CE2-CB 4.41Å; F25-P40 HydrophobicContact CE2-CG 3.89Å; F25-P40 HydrophobicContact CZ-CG 3.66Å; F25-V51 HydrophobicContact CB-CG1 3.86Å; F25-F52 PolarHBondContact N-O 3.24Å; F25-Y53 AromaticContact CD1-CD2 3.58Å; F25-Y53 HydrophobicContact CD1-CD2 3.58Å; F25-Y53 AromaticContact CD1-CE2 3.45Å; F25-Y53 HydrophobicContact CD1-CE2 3.45Å; F25-Y53 VanDerWaalsContact CD1-CE2 3.45Å; F25-Y53 HydrophobicContact CD1-CG 4.33Å; F25-Y53 HydrophobicContact CE1-CD2 4.11Å; F25-Y53 AromaticContact CE1-CE2 3.48Å; F25-Y53 HydrophobicContact CE1-CE2 3.48Å; F25-Y53 VanDerWaalsContact CE1-CE2 3.48Å; F25-Y53 AromaticContact CE1-CZ 3.95Å; F25-Y53 HydrophobicContact CG-CD2 4.5Å; F25-A54 PolarHBondContact O-N 3.11Å
26T98.7Very high92.7Very high27 Ų2783.6 Ų83.617%0.16644%0.439CS..EExtended strand (participates in β ladder)trans-112.1121.3-176.659.10000111.4W28 A29 A54T26-W28 VanDerWaalsContact CB-CZ2 3.45Å; T26-W28 HydrophobicContact CG2-CH2 3.32Å; T26-W28 HydrophobicContact CG2-CZ2 3.27Å; T26-W28 HydrophobicContact CG2-CZ3 4Å; T26-W28 PolarHBondContact O-N 2.85Å; T26-A29 WeakPolarHBondContact O-CB 3.43Å; T26-A29 PolarHBondContact O-N 3.07Å; T26-A29 VanDerWaalsContact O-N 3.09Å; T26-A29 WeakPolarHBondContact OG1-CB 3.39Å; T26-A54 WeakPolarHBondContact CA-O 3.34Å; T26-A54 HydrophobicContact CG2-CB 4.32Å
27N98.5Very high95Very high3 Ų386.7 Ų86.72%0.01644%0.442CS..G310 helixtrans-67.5-17-175.364.5-0.6000114.5Q30 Y53 A54 F55 E68 D71 L75N27-Q30 VanDerWaalsContact O-CG 3.23Å; N27-Q30 WeakPolarHBondContact O-CG 3.02Å; N27-Q30 PolarHBondContact O-NE2 3.13Å; N27-Y53 HydrophobicContact CB-CE1 3.71Å; N27-Y53 VanDerWaalsContact CB-OH 3.26Å; N27-Y53 WeakPolarHBondContact CB-OH 3.4Å; N27-A54 PolarHBondContact N-O 3.42Å; N27-A54 PolarHBondContact OD1-O 2.97Å; N27-F55 PolarHBondContact ND2-O 3.17Å; N27-E68 HydrophobicContact CB-CG 3.93Å; N27-E68 VanDerWaalsContact CG-CG 3.49Å; N27-E68 WeakPolarHBondContact ND2-CG 3.46Å; N27-D71 PolarHBondContact ND2-OD1 3.1Å; N27-D71 PolarHBondContact ND2-OD2 3.34Å; N27-L75 HydrophobicContact CB-CD1 4.06Å
28W98.7Very high96.8Very high109 Ų10987.6 Ų87.641%0.41343%0.428SS..G310 helixtrans-83.9-12.3174.563.488.6000113.9T26 Q30 Y31 A54 F55T26-W28 VanDerWaalsContact CB-CZ2 3.45Å; T26-W28 HydrophobicContact CG2-CH2 3.32Å; T26-W28 HydrophobicContact CG2-CZ2 3.27Å; T26-W28 HydrophobicContact CG2-CZ3 4Å; T26-W28 PolarHBondContact O-N 2.85Å; W28-Q30 PolarHBondContact O-N 3.04Å; W28-Y31 HydrophobicContact CB-CD2 4.27Å; W28-Y31 WeakPolarHBondContact O-CB 3.33Å; W28-Y31 WeakPolarHBondContact O-CD2 3.11Å; W28-Y31 PolarHBondContact O-N 3.3Å; W28-A54 HydrophobicContact CH2-CB 4.16Å; W28-A54 HydrophobicContact CZ3-CB 4.12Å; W28-F55 HydrophobicContact CH2-CD2 4.01Å; W28-F55 AromaticContact CH2-CE2 3.59Å; W28-F55 HydrophobicContact CH2-CE2 3.59Å; W28-F55 AromaticContact CZ3-CD2 3.62Å; W28-F55 HydrophobicContact CZ3-CD2 3.62Å; W28-F55 AromaticContact CZ3-CE2 3.73Å; W28-F55 HydrophobicContact CZ3-CE2 3.73Å
29A98.7Very high97.7Very high0 Ų080.4 Ų80.40%039%0.388CS..G310 helixtrans-65.6-18.9179.300000112.8T26 Y31 R32 Y38T26-A29 WeakPolarHBondContact O-CB 3.43Å; T26-A29 PolarHBondContact O-N 3.07Å; T26-A29 VanDerWaalsContact O-N 3.09Å; T26-A29 WeakPolarHBondContact OG1-CB 3.39Å; A29-Y31 PolarHBondContact O-N 2.82Å; A29-Y31 VanDerWaalsContact O-N 3.13Å; A29-R32 PolarHBondContact O-N 2.82Å; A29-Y38 CarbonylContact C-O 3.55Å; A29-Y38 PolarHBondContact O-N 3.14Å
30Q98.4Very high97.9Very high11 Ų1171.9 Ų71.95%0.05136%0.355CS..G310 helixtrans-60.9-1617174179.4-56.500113.7N27 W28 K37 Y38 F39 N70N27-Q30 VanDerWaalsContact O-CG 3.23Å; N27-Q30 WeakPolarHBondContact O-CG 3.02Å; N27-Q30 PolarHBondContact O-NE2 3.13Å; W28-Q30 PolarHBondContact O-N 3.04Å; Q30-K37 WeakPolarHBondContact O-CE 3.07Å; Q30-K37 WeakPolarHBondContact O-CG 3.3Å; Q30-Y38 PolarHBondContact N-O 3.12Å; Q30-F39 HydrophobicContact CB-CD1 4.11Å; Q30-F39 HydrophobicContact CB-CE1 3.63Å; Q30-F39 HydrophobicContact CB-CZ 4.2Å; Q30-N70 PolarHBondContact NE2-OD1 3.43Å; Q30-N70 VanDerWaalsContact NE2-OD1 3.14Å; Q30-N70 PolarHBondContact OE1-ND2 3.44Å
31Y98.5Very high98Very high107 Ų10771.8 Ų71.842%0.4235%0.347SS..G310 helixtrans-99.9-1.5-177.7-56.1-55000113.9W28 A29 E68 W69W28-Y31 HydrophobicContact CB-CD2 4.27Å; W28-Y31 WeakPolarHBondContact O-CB 3.33Å; W28-Y31 WeakPolarHBondContact O-CD2 3.11Å; W28-Y31 PolarHBondContact O-N 3.3Å; A29-Y31 PolarHBondContact O-N 2.82Å; A29-Y31 VanDerWaalsContact O-N 3.13Å; Y31-E68 WeakPolarHBondContact CE2-OE1 3.47Å; Y31-E68 WeakPolarHBondContact CE2-OE2 3.45Å; Y31-E68 PolarHBondContact OH-OE2 2.75Å; Y31-W69 PolarHBondContact OH-NE1 3.01Å; Y31-W69 VanDerWaalsContact OH-NE1 3.08Å
32R98.6Very high98.1Very high126 Ų12670.4 Ų70.448%0.47535%0.347SS..SBendtrans-66.4154.4174.4-68.6170.7-178.5157.13110.6A29 G36A29-R32 PolarHBondContact O-N 2.82Å; R32-G36 VanDerWaalsContact CB-C 3.45Å; R32-G36 VanDerWaalsContact CB-O 3.26Å; R32-G36 WeakPolarHBondContact CB-O 3.36Å; R32-G36 WeakPolarHBondContact CD-O 3.37Å
33Q97.8Very high98Very high164 Ų16469.2 Ų69.277%0.76633%0.329SS*.  trans-83.7151-178.8-59.5-59.7-38.200111.5E35 G36Q33-E35 PolarHBondContact O-N 3.04Å; Q33-G36 WeakPolarHBondContact O-CA 3.45Å; Q33-G36 PolarHBondContact O-N 2.87Å
34A96.3Very high97.9Very high75 Ų7571.8 Ų71.862%0.6234%0.344SS*.G310 helixtrans46.3-130.9173.400000113G36 K37A34-G36 PolarHBondContact O-N 3.05Å; A34-G36 VanDerWaalsContact O-N 3.12Å; A34-K37 WeakPolarHBondContact O-CB 3.32Å; A34-K37 PolarHBondContact O-N 3.27Å
35E96.6Very high97.6Very high187 Ų18767.3 Ų67.387%0.87433%0.332SS*.G310 helixtrans-67.9-8.3-178.1-56.980.2-174.600113.4Q33 K37Q33-E35 PolarHBondContact O-N 3.04Å; E35-K37 VanDerWaalsContact C-N 3.32Å
36G97.9Very high97.4Very high36 Ų3671 Ų7137%0.37135%0.352SS..G310 helixtrans-78.4-16174.900000113.7R32 Q33 A34 Y38R32-G36 VanDerWaalsContact CB-C 3.45Å; R32-G36 VanDerWaalsContact CB-O 3.26Å; R32-G36 WeakPolarHBondContact CB-O 3.36Å; R32-G36 WeakPolarHBondContact CD-O 3.37Å; Q33-G36 WeakPolarHBondContact O-CA 3.45Å; Q33-G36 PolarHBondContact O-N 2.87Å; A34-G36 PolarHBondContact O-N 3.05Å; A34-G36 VanDerWaalsContact O-N 3.12Å; G36-Y38 PolarHBondContact O-N 3.04Å
37K98.3Very high97.2Very high102 Ų10274.2 Ų74.244%0.44337%0.368SS..  trans-64.4128.5-179.1-162.3175.6-163.4-172.50110.2Q30 A34 E35 F39Q30-K37 WeakPolarHBondContact O-CE 3.07Å; Q30-K37 WeakPolarHBondContact O-CG 3.3Å; A34-K37 WeakPolarHBondContact O-CB 3.32Å; A34-K37 PolarHBondContact O-N 3.27Å; E35-K37 VanDerWaalsContact C-N 3.32Å; K37-F39 HydrophobicContact CD-CD2 4.47Å; K37-F39 HydrophobicContact CD-CE2 3.54Å; K37-F39 HydrophobicContact CD-CZ 4.04Å; K37-F39 HydrophobicContact CG-CD2 4.29Å; K37-F39 HydrophobicContact CG-CE2 3.75Å; K37-F39 HydrophobicContact CG-CZ 4.31Å
38Y98.6Very high97.1Very high77 Ų7774 Ų7430%0.30237%0.367SS..  trans-128.3127.9-177.1-163.6-93.7000111F25 A29 Q30 G36 D42F25-Y38 HydrophobicContact CD2-CD1 4.16Å; F25-Y38 AromaticContact CD2-CE1 3.88Å; F25-Y38 HydrophobicContact CD2-CE1 3.88Å; F25-Y38 AromaticContact CE2-CD1 3.85Å; F25-Y38 HydrophobicContact CE2-CD1 3.85Å; F25-Y38 AromaticContact CE2-CE1 3.92Å; F25-Y38 HydrophobicContact CE2-CE1 3.92Å; A29-Y38 CarbonylContact C-O 3.55Å; A29-Y38 PolarHBondContact O-N 3.14Å; Q30-Y38 PolarHBondContact N-O 3.12Å; G36-Y38 PolarHBondContact O-N 3.04Å; Y38-D42 WeakPolarHBondContact CA-OD2 3.07Å; Y38-D42 HydrophobicContact CD2-CB 3.66Å; Y38-D42 HydrophobicContact CE1-CB 4.4Å; Y38-D42 HydrophobicContact CE2-CB 3.34Å; Y38-D42 HydrophobicContact CG-CB 4.31Å; Y38-D42 PolarHBondContact OH-O 3.25Å
39F98.3Very high97Very high30 Ų3071.4 Ų71.413%0.13236%0.359CS..  trans-122.4166.3176.5-72-72.3000110.9Q30 K37 E41 D42 R74 L75Q30-F39 HydrophobicContact CB-CD1 4.11Å; Q30-F39 HydrophobicContact CB-CE1 3.63Å; Q30-F39 HydrophobicContact CB-CZ 4.2Å; K37-F39 HydrophobicContact CD-CD2 4.47Å; K37-F39 HydrophobicContact CD-CE2 3.54Å; K37-F39 HydrophobicContact CD-CZ 4.04Å; K37-F39 HydrophobicContact CG-CD2 4.29Å; K37-F39 HydrophobicContact CG-CE2 3.75Å; K37-F39 HydrophobicContact CG-CZ 4.31Å; F39-E41 VanDerWaalsContact CB-OE2 3.3Å; F39-E41 WeakPolarHBondContact CB-OE2 3.27Å; F39-E41 PolarHBondContact O-N 3.42Å; F39-E41 VanDerWaalsContact O-N 3.16Å; F39-D42 PolarHBondContact N-OD2 3.24Å; F39-D42 WeakPolarHBondContact O-CB 2.96Å; F39-D42 PolarHBondContact O-N 3.15Å; F39-R74 VanDerWaalsContact CD1-NH2 3.26Å; F39-L75 HydrophobicContact CD1-CD2 4.25Å
40P97.8Very high97Very high0 Ų074.5 Ų74.50%037%0.371CS..G310 helixtrans-55.2-32.1176-27.537.9000112.9F25 D42 Y43 L75 A78 L79 F82F25-P40 HydrophobicContact CE1-CG 4.4Å; F25-P40 HydrophobicContact CE2-CB 4.41Å; F25-P40 HydrophobicContact CE2-CG 3.89Å; F25-P40 HydrophobicContact CZ-CG 3.66Å; P40-D42 PolarHBondContact O-N 2.62Å; P40-D42 VanDerWaalsContact O-N 3.17Å; P40-Y43 WeakPolarHBondContact O-CB 3.33Å; P40-Y43 PolarHBondContact O-N 2.75Å; P40-L75 HydrophobicContact CG-CB 4.49Å; P40-L75 HydrophobicContact CG-CD2 4.1Å; P40-A78 HydrophobicContact CB-CB 3.76Å; P40-A78 HydrophobicContact CG-CB 3.88Å; P40-L79 HydrophobicContact CB-CB 4.23Å; P40-L79 HydrophobicContact CB-CD1 4.47Å; P40-F82 WeakPolarHBondContact O-CE2 3.49Å; P40-F82 VanDerWaalsContact O-CZ 3.32Å; P40-F82 WeakPolarHBondContact O-CZ 3.41Å
41E96.7Very high97Very high106 Ų10674.1 Ų74.150%0.49537%0.37SS..G310 helixtrans-61.4-20177.2-66.877.7-169.200114.1F39 Y43F39-E41 VanDerWaalsContact CB-OE2 3.3Å; F39-E41 WeakPolarHBondContact CB-OE2 3.27Å; F39-E41 PolarHBondContact O-N 3.42Å; F39-E41 VanDerWaalsContact O-N 3.16Å; E41-Y43 PolarHBondContact O-N 3.26Å
42D97.4Very high97Very high77 Ų7771.4 Ų71.441%0.41236%0.36SS..G310 helixtrans-83.63176-56.4-56000112.7Y38 F39 P40Y38-D42 WeakPolarHBondContact CA-OD2 3.07Å; Y38-D42 HydrophobicContact CD2-CB 3.66Å; Y38-D42 HydrophobicContact CE1-CB 4.4Å; Y38-D42 HydrophobicContact CE2-CB 3.34Å; Y38-D42 HydrophobicContact CG-CB 4.31Å; Y38-D42 PolarHBondContact OH-O 3.25Å; F39-D42 PolarHBondContact N-OD2 3.24Å; F39-D42 WeakPolarHBondContact O-CB 2.96Å; F39-D42 PolarHBondContact O-N 3.15Å; P40-D42 PolarHBondContact O-N 2.62Å; P40-D42 VanDerWaalsContact O-N 3.17Å
43Y96.1Very high97Very high19 Ų1965.4 Ų65.48%0.07534%0.337CS..  trans-68.3130.3175177.3-105000111.4P40 E41 C48 V51 F82 Q86 L89P40-Y43 WeakPolarHBondContact O-CB 3.33Å; P40-Y43 PolarHBondContact O-N 2.75Å; E41-Y43 PolarHBondContact O-N 3.26Å; Y43-C48 PolarHBondContact OH-N 2.78Å; Y43-C48 PolarHBondContact OH-O 2Å; Y43-C48 VanDerWaalsContact OH-O 3.13Å; Y43-V51 HydrophobicContact CD2-CG2 4.5Å; Y43-V51 HydrophobicContact CE2-CG2 3.83Å; Y43-F82 HydrophobicContact CD1-CB 4.29Å; Y43-F82 AromaticContact CD1-CD1 3.65Å; Y43-F82 HydrophobicContact CD1-CD1 3.65Å; Y43-F82 HydrophobicContact CD1-CD2 4.06Å; Y43-F82 AromaticContact CD1-CE1 3.86Å; Y43-F82 HydrophobicContact CD1-CE1 3.86Å; Y43-F82 HydrophobicContact CD1-CE2 4.29Å; Y43-F82 AromaticContact CD1-CG 3.73Å; Y43-F82 HydrophobicContact CD1-CG 3.73Å; Y43-F82 HydrophobicContact CD1-CZ 4.17Å; Y43-F82 HydrophobicContact CE1-CB 4.39Å; Y43-F82 HydrophobicContact CE1-CD1 4.29Å; Y43-F82 HydrophobicContact CE1-CG 4.29Å; Y43-Q86 PolarHBondContact OH-OE1 3.31Å; Y43-Q86 VanDerWaalsContact OH-OE1 3.04Å; Y43-L89 HydrophobicContact CE1-CD2 4.38Å
44V95.7Very high97.1Very high91 Ų9157.6 Ų57.655%0.55230%0.301SS*.  trans-86.7115.8174-179.20000108.9L47V44-L47 HydrophobicContact CB-CB 4.14Å; V44-L47 HydrophobicContact CB-CD2 4.35Å; V44-L47 HydrophobicContact CG1-CB 4.48Å; V44-L47 WeakPolarHBondContact O-CB 3.32Å; V44-L47 PolarHBondContact O-N 3.5Å; V44-L47 VanDerWaalsContact O-N 3.14Å
45V93.7Very high97.2Very high56 Ų5656.2 Ų56.234%0.33928%0.281SS..THydrogen-bonded Turntrans-55139.8176.8-178.30000110.4L47 F82 Q86V45-L47 PolarHBondContact O-N 2.84Å; V45-F82 HydrophobicContact CG2-CD1 3.91Å; V45-F82 HydrophobicContact CG2-CE1 4.07Å; V45-Q86 HydrophobicContact CG1-CB 4.14Å
46D93.7Very high97.3Very high87 Ų8747.5 Ų47.547%0.46524%0.241SC..THydrogen-bonded Turntrans686.1-177.4-56.8-30.8000115R21 Q86R21-D46 PolarHBondContact NH1-O 2.69Å; R21-D46 PolarHBondContact NH2-O 3.41Å; D46-Q86 WeakPolarHBondContact OD1-CG 3.49Å
47L95.4Very high97.3Very high95 Ų9550.4 Ų50.450%0.49724%0.243SC..SBendtrans-67.8-37.1177.7-176.364.8000112.7R21 V44 V45R21-L47 PolarHBondContact NH1-O 3.31Å; V44-L47 HydrophobicContact CB-CB 4.14Å; V44-L47 HydrophobicContact CB-CD2 4.35Å; V44-L47 HydrophobicContact CG1-CB 4.48Å; V44-L47 WeakPolarHBondContact O-CB 3.32Å; V44-L47 PolarHBondContact O-N 3.5Å; V44-L47 VanDerWaalsContact O-N 3.14Å; V45-L47 PolarHBondContact O-N 2.84Å
48C96.5Very high97.3Very high0 Ų046.8 Ų46.80%023%0.229CC..  trans-140.4144.3-172.8-26.40000110.2C23 Y43 V51 Q86C23-C48 HydrophobicContact CB-CB 3.74Å; C23-C48 WeakPolarHBondContact CB-SG 3.47Å; C23-C48 WeakPolarHBondContact SG-CB 3.29Å; C23-C48 CovalentContact SG-SG 2Å; C23-C48 PolarHBondContact SG-SG 3Å; Y43-C48 PolarHBondContact OH-N 2.78Å; Y43-C48 PolarHBondContact OH-O 2Å; Y43-C48 VanDerWaalsContact OH-O 3.13Å; C48-V51 HydrophobicContact CB-CG2 4.43Å; C48-Q86 PolarHBondContact O-NE2 3.1Å
49E96Very high97.3Very high54 Ų5444.8 Ų44.825%0.25222%0.223SC..SBendtrans-82.2-32.9169.9-172.7-171.9158.300110.6R21 K90R21-E49 PolarHBondContact O-N 3.41Å; E49-K90 PolarHBondContact O-N 2.9Å
50Y98.3Very high97.3Very high65 Ų6547.8 Ų47.826%0.25525%0.248SC..EExtended strand (participates in β ladder)trans-121.2125.4179.5-56.1-94.1000110.4V20 R21 G22 C23 K90 L92V20-Y50 HydrophobicContact CG1-CD2 3.7Å; V20-Y50 HydrophobicContact CG1-CE2 3.85Å; V20-Y50 HydrophobicContact CG2-CE2 4.46Å; R21-Y50 PolarHBondContact O-N 2.84Å; G22-Y50 CarbonylContact C-O 3.53Å; G22-Y50 WeakPolarHBondContact CA-O 3.48Å; C23-Y50 PolarHBondContact N-O 2.98Å; Y50-K90 CarbonylContact C-O 3.53Å; Y50-K90 WeakPolarHBondContact CA-O 3.47Å; Y50-K90 HydrophobicContact CD1-CB 3.7Å; Y50-K90 HydrophobicContact CD1-CG 4.13Å; Y50-K90 HydrophobicContact CE1-CB 4.01Å; Y50-K90 HydrophobicContact CE1-CG 3.9Å; Y50-K90 HydrophobicContact CG-CB 4.48Å; Y50-L92 HydrophobicContact CD1-CD1 3.78Å
51V98.5Very high97.3Very high3 Ų350.8 Ų50.82%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-109123.4167.81780000109.3C23 F25 Y43 C48 L79 L89 K90 V91 L92C23-V51 CarbonylContact O-C 3.58Å; C23-V51 VanDerWaalsContact O-CA 3.27Å; C23-V51 WeakPolarHBondContact O-CA 3.34Å; F25-V51 HydrophobicContact CB-CG1 3.86Å; Y43-V51 HydrophobicContact CD2-CG2 4.5Å; Y43-V51 HydrophobicContact CE2-CG2 3.83Å; C48-V51 HydrophobicContact CB-CG2 4.43Å; V51-L79 HydrophobicContact CG1-CD1 4.24Å; V51-L79 HydrophobicContact CG1-CD2 3.73Å; V51-L79 HydrophobicContact CG1-CG 4.49Å; V51-L89 HydrophobicContact CG2-CD1 3.81Å; V51-K90 PolarHBondContact N-O 2.82Å; V51-V91 CarbonylContact O-C 3.56Å; V51-V91 WeakPolarHBondContact O-CA 3.36Å; V51-L92 PolarHBondContact O-N 3.37Å
52F98.8Very high97.4Very high49 Ų4946.8 Ų46.822%0.21525%0.245CC..EExtended strand (participates in β ladder)trans-99.3108.1177.4-58.9-87.8000109C23 Y24 F25 A54 L92C23-F52 PolarHBondContact O-N 3.48Å; Y24-F52 WeakPolarHBondContact CA-O 3.49Å; Y24-F52 HydrophobicContact CD1-CB 3.73Å; Y24-F52 HydrophobicContact CD2-CB 4.08Å; Y24-F52 HydrophobicContact CD2-CD2 4.15Å; Y24-F52 HydrophobicContact CD2-CG 4.38Å; Y24-F52 HydrophobicContact CE1-CB 3.66Å; Y24-F52 HydrophobicContact CE1-CG 4.37Å; Y24-F52 HydrophobicContact CE2-CB 4Å; Y24-F52 AromaticContact CE2-CD2 3.93Å; Y24-F52 HydrophobicContact CE2-CD2 3.93Å; Y24-F52 HydrophobicContact CE2-CG 4Å; Y24-F52 HydrophobicContact CG-CB 3.95Å; F25-F52 PolarHBondContact N-O 3.24Å; F52-A54 PolarHBondContact O-N 3.43Å; F52-L92 CarbonylContact C-O 3.59Å; F52-L92 WeakPolarHBondContact CA-O 3.23Å; F52-L92 HydrophobicContact CD1-CB 4.08Å; F52-L92 HydrophobicContact CE1-CB 4.41Å; F52-L92 HydrophobicContact CE1-CD1 4.45Å; F52-L92 HydrophobicContact CE1-CD2 4.2Å
53Y98.8Very high97.4Very high0 Ų044.8 Ų44.80%024%0.236CC..EExtended strand (participates in β ladder)trans-75.9111.8176.4-166-74000110.4F25 N27 D71 L75 Y76 L79 L92 L93 S94 F131F25-Y53 AromaticContact CD1-CD2 3.58Å; F25-Y53 HydrophobicContact CD1-CD2 3.58Å; F25-Y53 AromaticContact CD1-CE2 3.45Å; F25-Y53 HydrophobicContact CD1-CE2 3.45Å; F25-Y53 VanDerWaalsContact CD1-CE2 3.45Å; F25-Y53 HydrophobicContact CD1-CG 4.33Å; F25-Y53 HydrophobicContact CE1-CD2 4.11Å; F25-Y53 AromaticContact CE1-CE2 3.48Å; F25-Y53 HydrophobicContact CE1-CE2 3.48Å; F25-Y53 VanDerWaalsContact CE1-CE2 3.48Å; F25-Y53 AromaticContact CE1-CZ 3.95Å; F25-Y53 HydrophobicContact CG-CD2 4.5Å; N27-Y53 HydrophobicContact CB-CE1 3.71Å; N27-Y53 VanDerWaalsContact CB-OH 3.26Å; N27-Y53 WeakPolarHBondContact CB-OH 3.4Å; Y53-D71 PolarHBondContact OH-OD1 3.5Å; Y53-L75 HydrophobicContact CE2-CB 4.08Å; Y53-L75 WeakPolarHBondContact OH-CB 3.13Å; Y53-L75 WeakPolarHBondContact OH-CD1 3.13Å; Y53-Y76 HydrophobicContact CD1-CD1 4.41Å; Y53-Y76 AromaticContact CD1-CE1 3.77Å; Y53-Y76 HydrophobicContact CD1-CE1 3.77Å; Y53-Y76 HydrophobicContact CD2-CD1 4.08Å; Y53-Y76 HydrophobicContact CD2-CE1 4.25Å; Y53-Y76 HydrophobicContact CE1-CD1 4.09Å; Y53-Y76 AromaticContact CE1-CE1 3.41Å; Y53-Y76 HydrophobicContact CE1-CE1 3.41Å; Y53-Y76 VanDerWaalsContact CE1-CE1 3.41Å; Y53-Y76 AromaticContact CE2-CD1 3.69Å; Y53-Y76 HydrophobicContact CE2-CD1 3.69Å; Y53-Y76 AromaticContact CE2-CE1 3.91Å; Y53-Y76 HydrophobicContact CE2-CE1 3.91Å; Y53-Y76 HydrophobicContact CG-CD1 4.42Å; Y53-Y76 HydrophobicContact CG-CE1 4.18Å; Y53-Y76 AromaticContact CZ-CD1 3.68Å; Y53-Y76 AromaticContact CZ-CE1 3.46Å; Y53-Y76 VanDerWaalsContact CZ-CE1 3.46Å; Y53-L79 HydrophobicContact CD2-CD2 3.92Å; Y53-L92 PolarHBondContact N-O 3.18Å; Y53-L93 HydrophobicContact CD1-CD1 4.08Å; Y53-S94 WeakPolarHBondContact O-CB 3.37Å; Y53-S94 PolarHBondContact O-N 3.06Å; Y53-F131 HydrophobicContact CG-CE1 4.47Å
54A98.8Very high97.5Very high0 Ų044.3 Ų44.30%024%0.235CC..EExtended strand (participates in β ladder)trans-103.4120.117700000110.4Y24 F25 T26 N27 W28 F52Y24-A54 HydrophobicContact CD1-CB 4.05Å; F25-A54 PolarHBondContact O-N 3.11Å; T26-A54 WeakPolarHBondContact CA-O 3.34Å; T26-A54 HydrophobicContact CG2-CB 4.32Å; N27-A54 PolarHBondContact N-O 3.42Å; N27-A54 PolarHBondContact OD1-O 2.97Å; W28-A54 HydrophobicContact CH2-CB 4.16Å; W28-A54 HydrophobicContact CZ3-CB 4.12Å; F52-A54 PolarHBondContact O-N 3.43Å
55F98.8Very high97.7Very high47 Ų4741.9 Ų41.921%0.20622%0.22CC..EExtended strand (participates in β ladder)cis-137158.7-7.1-63.5-79.2000110.5N27 W28 F67 S94N27-F55 PolarHBondContact ND2-O 3.17Å; W28-F55 HydrophobicContact CH2-CD2 4.01Å; W28-F55 AromaticContact CH2-CE2 3.59Å; W28-F55 HydrophobicContact CH2-CE2 3.59Å; W28-F55 AromaticContact CZ3-CD2 3.62Å; W28-F55 HydrophobicContact CZ3-CD2 3.62Å; W28-F55 AromaticContact CZ3-CE2 3.73Å; W28-F55 HydrophobicContact CZ3-CE2 3.73Å; F55-F67 WeakPolarHBondContact O-CB 3.07Å; F55-S94 CarbonylContact C-O 3.5Å; F55-S94 WeakPolarHBondContact CA-O 3.39Å
56A98.8Very high97.9Very high4 Ų441 Ų413%0.03321%0.214CC..EExtended strand (participates in β ladder)trans-77.1162.9159.700000111.1V64 L93 S94 I95A56-V64 HydrophobicContact CB-CG1 3.77Å; A56-L93 HydrophobicContact CB-CD1 3.74Å; A56-L93 HydrophobicContact CB-CD2 3.67Å; A56-L93 HydrophobicContact CB-CG 3.76Å; A56-S94 PolarHBondContact N-O 3.44Å; A56-I95 HydrophobicContact CB-CG1 3.89Å
57K98.5Very high98.1Very high96 Ų9642.6 Ų42.642%0.41722%0.217SC..EExtended strand (participates in β ladder)trans-96.1130.1174.2-179.6177.3178.7-177.80110.8N59 V64 T65 F67K57-N59 VanDerWaalsContact CE-OD1 3.28Å; K57-N59 WeakPolarHBondContact CE-OD1 3.15Å; K57-V64 WeakPolarHBondContact O-CA 3.39Å; K57-T65 HydrophobicContact CB-CG2 3.86Å; K57-T65 HydrophobicContact CD-CG2 3.93Å; K57-T65 HydrophobicContact CG-CG2 4.13Å; K57-T65 PolarHBondContact N-O 2.91Å; K57-T65 PolarHBondContact O-N 3.07Å; K57-F67 HydrophobicContact CB-CB 4.34Å; K57-F67 HydrophobicContact CB-CD2 4.04Å
58L98.6Very high98.3Very high26 Ų2639.5 Ų39.514%0.13620%0.2CC..EExtended strand (participates in β ladder)trans-95.1114.3165.6179.261.3000109.3V64 I95 V104 F105 L108 F118L58-V64 HydrophobicContact CD1-CG2 4.39Å; L58-I95 HydrophobicContact CB-CG2 4.02Å; L58-V104 HydrophobicContact CD2-CB 4.34Å; L58-V104 HydrophobicContact CD2-CG1 3.73Å; L58-V104 HydrophobicContact CG-CG1 3.8Å; L58-F105 HydrophobicContact CD2-CD1 3.82Å; L58-F105 HydrophobicContact CD2-CD2 4.41Å; L58-F105 HydrophobicContact CD2-CE1 3.63Å; L58-F105 HydrophobicContact CD2-CE2 4.24Å; L58-F105 HydrophobicContact CD2-CG 4.21Å; L58-F105 HydrophobicContact CD2-CZ 3.86Å; L58-L108 HydrophobicContact CD1-CD1 4.3Å; L58-L108 HydrophobicContact CD2-CD1 4.49Å; L58-F118 HydrophobicContact CD1-CD2 3.74Å; L58-F118 HydrophobicContact CD1-CE2 3.91Å
59N98.2Very high98.4Very high36 Ų3648.5 Ų48.519%0.19323%0.234CC..  trans-74.9161.8179.5-67-42.1000111.8K57 D61 F62 T63 T65 V104K57-N59 VanDerWaalsContact CE-OD1 3.28Å; K57-N59 WeakPolarHBondContact CE-OD1 3.15Å; N59-D61 VanDerWaalsContact CB-OD1 3.29Å; N59-D61 WeakPolarHBondContact CB-OD1 3.39Å; N59-D61 PolarHBondContact O-N 2.78Å; N59-D61 VanDerWaalsContact O-N 3.16Å; N59-F62 PolarHBondContact O-N 2.83Å; N59-T63 WeakPolarHBondContact CB-O 3.41Å; N59-T63 PolarHBondContact N-O 3.17Å; N59-T63 PolarHBondContact ND2-OG1 3.02Å; N59-T65 WeakPolarHBondContact ND2-CG2 3.26Å; N59-V104 WeakPolarHBondContact O-CG1 3.26Å
60S97.5Very high98.5Very high93 Ų9346.1 Ų46.165%0.6522%0.223SC*.THydrogen-bonded Turntrans-61.3-22.4177.751.60000113.5F62S60-F62 VanDerWaalsContact C-N 3.34Å
61D98.1Very high98.6Very high63 Ų6343 Ų4334%0.33721%0.211SC..THydrogen-bonded Turntrans-92.79.2177.687.4-36.1000113.3N59 T63 K117N59-D61 VanDerWaalsContact CB-OD1 3.29Å; N59-D61 WeakPolarHBondContact CB-OD1 3.39Å; N59-D61 PolarHBondContact O-N 2.78Å; N59-D61 VanDerWaalsContact O-N 3.16Å; D61-T63 VanDerWaalsContact C-N 3.31Å; D61-T63 PolarHBondContact O-N 3.44Å; D61-T63 WeakPolarHBondContact OD1-CB 3.47Å; D61-T63 PolarHBondContact OD1-N 3.16Å; D61-T63 VanDerWaalsContact OD1-N 3.09Å; D61-T63 PolarHBondContact OD1-OG1 2.78Å; D61-T63 WeakPolarHBondContact OD2-CG2 3.25Å; D61-K117 VanDerWaalsContact O-CD 3.29Å; D61-K117 WeakPolarHBondContact O-CD 3.42Å; D61-K117 WeakPolarHBondContact O-CE 3.48Å; D61-K117 PolarHBondContact O-NZ 3.49Å; D61-K117 IonicContact OD2-NZ 3.42Å; D61-K117 PolarHBondContact OD2-NZ 3.35Å
62F98.5Very high98.6Very high21 Ų2145.5 Ų45.59%0.09222%0.223CC..SBendtrans74.28.6178.4-45.1-47.2000116.2N59 S60 V104 R107 L108 D114 F118N59-F62 PolarHBondContact O-N 2.83Å; S60-F62 VanDerWaalsContact C-N 3.34Å; F62-V104 HydrophobicContact CD1-CG1 4.15Å; F62-V104 HydrophobicContact CE1-CG1 4.2Å; F62-R107 HydrophobicContact CE1-CB 3.96Å; F62-R107 HydrophobicContact CZ-CB 3.86Å; F62-L108 HydrophobicContact CB-CD1 3.67Å; F62-L108 HydrophobicContact CD1-CB 3.78Å; F62-L108 HydrophobicContact CD1-CD1 3.67Å; F62-L108 HydrophobicContact CD1-CG 4.36Å; F62-L108 HydrophobicContact CE1-CB 3.92Å; F62-L108 HydrophobicContact CG-CD1 3.84Å; F62-D114 HydrophobicContact CD2-CB 3.65Å; F62-D114 HydrophobicContact CE2-CB 3.63Å; F62-D114 VanDerWaalsContact CE2-OD1 3.23Å; F62-D114 WeakPolarHBondContact CE2-OD1 3.44Å; F62-D114 HydrophobicContact CG-CB 4.44Å; F62-D114 HydrophobicContact CZ-CB 4.38Å; F62-F118 HydrophobicContact CB-CB 4.4Å; F62-F118 WeakPolarHBondContact O-CA 3.42Å
63T98.7Very high98.5Very high35 Ų3550 Ų5022%0.21525%0.249CC..  trans-83153.817062.40000112.1N59 D61 S121N59-T63 WeakPolarHBondContact CB-O 3.41Å; N59-T63 PolarHBondContact N-O 3.17Å; N59-T63 PolarHBondContact ND2-OG1 3.02Å; D61-T63 VanDerWaalsContact C-N 3.31Å; D61-T63 PolarHBondContact O-N 3.44Å; D61-T63 WeakPolarHBondContact OD1-CB 3.47Å; D61-T63 PolarHBondContact OD1-N 3.16Å; D61-T63 VanDerWaalsContact OD1-N 3.09Å; D61-T63 PolarHBondContact OD1-OG1 2.78Å; D61-T63 WeakPolarHBondContact OD2-CG2 3.25Å; T63-S121 WeakPolarHBondContact CA-OG 3.25Å
64V98.6Very high98.5Very high10 Ų1054.8 Ų54.86%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-103.6138.2176178.40000110.5A56 K57 L58 I95 F118 S121 V122 F125A56-V64 HydrophobicContact CB-CG1 3.77Å; K57-V64 WeakPolarHBondContact O-CA 3.39Å; L58-V64 HydrophobicContact CD1-CG2 4.39Å; V64-I95 HydrophobicContact CG1-CD1 4.1Å; V64-I95 HydrophobicContact CG1-CG1 4.43Å; V64-I95 HydrophobicContact CG2-CD1 3.8Å; V64-F118 HydrophobicContact CG2-CD2 4Å; V64-F118 HydrophobicContact CG2-CE2 3.69Å; V64-S121 PolarHBondContact N-OG 3.08Å; V64-V122 HydrophobicContact CG2-CG2 3.67Å; V64-F125 HydrophobicContact CG1-CD1 4.12Å; V64-F125 HydrophobicContact CG1-CG 4.24Å
65T98.5Very high98.5Very high40 Ų4054.8 Ų54.825%0.24527%0.267CS..EExtended strand (participates in β ladder)trans-144.1173.7175.5-168.90000110.7K57 N59K57-T65 HydrophobicContact CB-CG2 3.86Å; K57-T65 HydrophobicContact CD-CG2 3.93Å; K57-T65 HydrophobicContact CG-CG2 4.13Å; K57-T65 PolarHBondContact N-O 2.91Å; K57-T65 PolarHBondContact O-N 3.07Å; N59-T65 WeakPolarHBondContact ND2-CG2 3.26Å
66N98.5Very high98.5Very high38 Ų3852.7 Ų52.720%0.20326%0.258CS..  trans-61.1151.1168.460.4-55.8000112.9E68 D71 I72 F125N66-E68 PolarHBondContact ND2-O 3.32Å; N66-D71 HydrophobicContact CB-CB 3.55Å; N66-I72 HydrophobicContact CB-CD1 4.06Å; N66-I72 HydrophobicContact CB-CG1 3.94Å; N66-I72 WeakPolarHBondContact OD1-CD1 3.47Å; N66-F125 HydrophobicContact CB-CZ 4.5Å
67F98.7Very high98.5Very high120 Ų12055.1 Ų55.153%0.52627%0.274SS..SBendtrans-93.9-46.7176.5-167.4-77.9000111.1F55 K57 D71F55-F67 WeakPolarHBondContact O-CB 3.07Å; K57-F67 HydrophobicContact CB-CB 4.34Å; K57-F67 HydrophobicContact CB-CD2 4.04Å; F67-D71 PolarHBondContact N-OD2 3.01Å
68E98.7Very high98.4Very high29 Ų2950.7 Ų50.714%0.13626%0.255CS..SBendtrans-93.8147.8179.1-68.1-66.4164.100111.4N27 Y31 N66 N70 D71N27-E68 HydrophobicContact CB-CG 3.93Å; N27-E68 VanDerWaalsContact CG-CG 3.49Å; N27-E68 WeakPolarHBondContact ND2-CG 3.46Å; Y31-E68 WeakPolarHBondContact CE2-OE1 3.47Å; Y31-E68 WeakPolarHBondContact CE2-OE2 3.45Å; Y31-E68 PolarHBondContact OH-OE2 2.75Å; N66-E68 PolarHBondContact ND2-O 3.32Å; E68-N70 PolarHBondContact O-N 3.32Å; E68-D71 PolarHBondContact N-OD2 2.9Å; E68-D71 WeakPolarHBondContact O-CB 3.36Å; E68-D71 PolarHBondContact O-N 3.02Å; E68-D71 VanDerWaalsContact O-N 3.17Å
69W98.6Very high98.3Very high189 Ų18949.5 Ų49.572%0.71625%0.249SC*.THydrogen-bonded Turntrans-57.9-23.2-178.166.1-84.2000113.8Y31Y31-W69 PolarHBondContact OH-NE1 3.01Å; Y31-W69 VanDerWaalsContact OH-NE1 3.08Å
70N98.6Very high98.3Very high4 Ų449 Ų492%0.02125%0.246CC..THydrogen-bonded Turntrans-115.211-177.666.4-10.8000114.5Q30 E68 R74 L75Q30-N70 PolarHBondContact NE2-OD1 3.43Å; Q30-N70 VanDerWaalsContact NE2-OD1 3.14Å; Q30-N70 PolarHBondContact OE1-ND2 3.44Å; E68-N70 PolarHBondContact O-N 3.32Å; N70-R74 HydrophobicContact CB-CB 4.26Å; N70-R74 WeakPolarHBondContact O-CB 3.18Å; N70-R74 PolarHBondContact O-N 3.03Å; N70-R74 VanDerWaalsContact O-N 3.09Å; N70-L75 PolarHBondContact O-N 3.29Å; N70-L75 WeakPolarHBondContact OD1-CD1 3.3Å
71D98.8Very high98.3Very high0 Ų050.8 Ų50.80%024%0.242CC..Iπ-helixtrans-55.9-54.6176.8-87.1-19000110.9N27 Y53 N66 F67 E68 L75 Y76N27-D71 PolarHBondContact ND2-OD1 3.1Å; N27-D71 PolarHBondContact ND2-OD2 3.34Å; Y53-D71 PolarHBondContact OH-OD1 3.5Å; N66-D71 HydrophobicContact CB-CB 3.55Å; F67-D71 PolarHBondContact N-OD2 3.01Å; E68-D71 PolarHBondContact N-OD2 2.9Å; E68-D71 WeakPolarHBondContact O-CB 3.36Å; E68-D71 PolarHBondContact O-N 3.02Å; E68-D71 VanDerWaalsContact O-N 3.17Å; D71-L75 PolarHBondContact O-N 3.36Å; D71-Y76 HydrophobicContact CB-CD1 4.23Å; D71-Y76 HydrophobicContact CB-CE1 3.66Å; D71-Y76 HydrophobicContact CB-CE2 4.11Å; D71-Y76 WeakPolarHBondContact O-CB 3.32Å; D71-Y76 WeakPolarHBondContact O-CD1 3.35Å; D71-Y76 PolarHBondContact O-N 3.26Å; D71-Y76 PolarHBondContact OD2-OH 3.03Å
72I98.6Very high98.2Very high56 Ų5649.3 Ų49.329%0.28723%0.233SC..Iπ-helixtrans-69.6-48.6-173.6-67.1174.3000111.7N66 Y76 P77N66-I72 HydrophobicContact CB-CD1 4.06Å; N66-I72 HydrophobicContact CB-CG1 3.94Å; N66-I72 WeakPolarHBondContact OD1-CD1 3.47Å; I72-Y76 HydrophobicContact CG1-CD2 4.3Å; I72-Y76 HydrophobicContact CG1-CE2 4.05Å; I72-P77 WeakPolarHBondContact O-CD 3.39Å
73D98Very high98.1Very high142 Ų14250.6 Ų50.676%0.75924%0.238SC*.Iπ-helixtrans-84.4-15.9-170-62.2-32.4000113.2
74R98.2Very high97.9Very high101 Ų10157.5 Ų57.538%0.38127%0.265SS..Iπ-helixtrans-133.4-62-175.1-175.2-177.5173.7-166.1-5.1113.9F39 N70 P77 A78F39-R74 VanDerWaalsContact CD1-NH2 3.26Å; N70-R74 HydrophobicContact CB-CB 4.26Å; N70-R74 WeakPolarHBondContact O-CB 3.18Å; N70-R74 PolarHBondContact O-N 3.03Å; N70-R74 VanDerWaalsContact O-N 3.09Å; R74-P77 WeakPolarHBondContact O-CD 3.26Å; R74-P77 WeakPolarHBondContact O-CG 3.41Å; R74-A78 WeakPolarHBondContact O-CB 3.44Å; R74-A78 PolarHBondContact O-N 3.44Å
75L98.7Very high97.7Very high0 Ų060.6 Ų60.60%029%0.287CS..Iπ-helixtrans-73-44.3-164.4-59.6178.2000112.8N27 F39 P40 Y53 N70 D71 A78 L79N27-L75 HydrophobicContact CB-CD1 4.06Å; F39-L75 HydrophobicContact CD1-CD2 4.25Å; P40-L75 HydrophobicContact CG-CB 4.49Å; P40-L75 HydrophobicContact CG-CD2 4.1Å; Y53-L75 HydrophobicContact CE2-CB 4.08Å; Y53-L75 WeakPolarHBondContact OH-CB 3.13Å; Y53-L75 WeakPolarHBondContact OH-CD1 3.13Å; N70-L75 PolarHBondContact O-N 3.29Å; N70-L75 WeakPolarHBondContact OD1-CD1 3.3Å; D71-L75 PolarHBondContact O-N 3.36Å; L75-A78 PolarHBondContact O-N 2.83Å; L75-L79 PolarHBondContact O-N 3.26Å
76Y98.6Very high97.6Very high3 Ų358.8 Ų58.81%0.01228%0.276CS..Hα-helixtrans-58.4-58.2174.9-62-9.2000111.3Y53 D71 I72 A78 L79 M80 F125 H129 F131Y53-Y76 HydrophobicContact CD1-CD1 4.41Å; Y53-Y76 AromaticContact CD1-CE1 3.77Å; Y53-Y76 HydrophobicContact CD1-CE1 3.77Å; Y53-Y76 HydrophobicContact CD2-CD1 4.08Å; Y53-Y76 HydrophobicContact CD2-CE1 4.25Å; Y53-Y76 HydrophobicContact CE1-CD1 4.09Å; Y53-Y76 AromaticContact CE1-CE1 3.41Å; Y53-Y76 HydrophobicContact CE1-CE1 3.41Å; Y53-Y76 VanDerWaalsContact CE1-CE1 3.41Å; Y53-Y76 AromaticContact CE2-CD1 3.69Å; Y53-Y76 HydrophobicContact CE2-CD1 3.69Å; Y53-Y76 AromaticContact CE2-CE1 3.91Å; Y53-Y76 HydrophobicContact CE2-CE1 3.91Å; Y53-Y76 HydrophobicContact CG-CD1 4.42Å; Y53-Y76 HydrophobicContact CG-CE1 4.18Å; Y53-Y76 AromaticContact CZ-CD1 3.68Å; Y53-Y76 AromaticContact CZ-CE1 3.46Å; Y53-Y76 VanDerWaalsContact CZ-CE1 3.46Å; D71-Y76 HydrophobicContact CB-CD1 4.23Å; D71-Y76 HydrophobicContact CB-CE1 3.66Å; D71-Y76 HydrophobicContact CB-CE2 4.11Å; D71-Y76 WeakPolarHBondContact O-CB 3.32Å; D71-Y76 WeakPolarHBondContact O-CD1 3.35Å; D71-Y76 PolarHBondContact O-N 3.26Å; D71-Y76 PolarHBondContact OD2-OH 3.03Å; I72-Y76 HydrophobicContact CG1-CD2 4.3Å; I72-Y76 HydrophobicContact CG1-CE2 4.05Å; Y76-A78 VanDerWaalsContact C-N 3.26Å; Y76-A78 PolarHBondContact O-N 2.86Å; Y76-L79 PolarHBondContact O-N 2.89Å; Y76-L79 VanDerWaalsContact O-N 3.17Å; Y76-M80 VanDerWaalsContact O-CG 3.29Å; Y76-M80 WeakPolarHBondContact O-CG 2.94Å; Y76-M80 PolarHBondContact O-N 2.77Å; Y76-F125 AromaticContact CE2-CE1 3.99Å; Y76-F125 HydrophobicContact CE2-CE1 3.99Å; Y76-F125 HydrophobicContact CE2-CZ 4.04Å; Y76-H129 HydrophobicContact CD2-CB 3.99Å; Y76-H129 AromaticContact CD2-CG 3.99Å; Y76-H129 HydrophobicContact CE2-CB 4.47Å; Y76-F131 HydrophobicContact CD1-CE2 4.38Å; Y76-F131 AromaticContact CD1-CZ 3.77Å; Y76-F131 HydrophobicContact CD1-CZ 3.77Å; Y76-F131 AromaticContact CD2-CE2 3.91Å; Y76-F131 HydrophobicContact CD2-CE2 3.91Å; Y76-F131 HydrophobicContact CD2-CZ 4.13Å; Y76-F131 HydrophobicContact CE1-CE2 4.47Å; Y76-F131 AromaticContact CE1-CZ 3.88Å; Y76-F131 HydrophobicContact CE1-CZ 3.88Å; Y76-F131 HydrophobicContact CE2-CE2 4Å; Y76-F131 HydrophobicContact CE2-CZ 4.23Å; Y76-F131 HydrophobicContact CG-CE2 4.11Å; Y76-F131 AromaticContact CG-CZ 3.9Å; Y76-F131 HydrophobicContact CG-CZ 3.9Å
77P98.3Very high97.4Very high55 Ų5567.2 Ų67.236%0.35731%0.305SS..Hα-helixtrans-62.9-32.4-178.721.5-31.3000112.6I72 R74 M80 K81I72-P77 WeakPolarHBondContact O-CD 3.39Å; R74-P77 WeakPolarHBondContact O-CD 3.26Å; R74-P77 WeakPolarHBondContact O-CG 3.41Å; P77-M80 PolarHBondContact O-N 3.09Å; P77-K81 WeakPolarHBondContact O-CG 3.42Å; P77-K81 PolarHBondContact O-N 3.18Å; P77-K81 VanDerWaalsContact O-N 3.11Å
78A98Very high97.2Very high4 Ų465.1 Ų65.13%0.03330%0.299CS..Hα-helixtrans-64-42.2175.700000112.4P40 R74 L75 Y76 K81P40-A78 HydrophobicContact CB-CB 3.76Å; P40-A78 HydrophobicContact CG-CB 3.88Å; R74-A78 WeakPolarHBondContact O-CB 3.44Å; R74-A78 PolarHBondContact O-N 3.44Å; L75-A78 PolarHBondContact O-N 2.83Å; Y76-A78 VanDerWaalsContact C-N 3.26Å; Y76-A78 PolarHBondContact O-N 2.86Å; A78-K81 WeakPolarHBondContact O-CB 3.44Å; A78-K81 PolarHBondContact O-N 3.32Å
79L97Very high97.1Very high1 Ų163.9 Ų63.91%0.00529%0.294CS..Hα-helixtrans-69.2-39.7175.3-169.261.6000112P40 V51 Y53 L75 Y76 K81 F82 V91P40-L79 HydrophobicContact CB-CB 4.23Å; P40-L79 HydrophobicContact CB-CD1 4.47Å; V51-L79 HydrophobicContact CG1-CD1 4.24Å; V51-L79 HydrophobicContact CG1-CD2 3.73Å; V51-L79 HydrophobicContact CG1-CG 4.49Å; Y53-L79 HydrophobicContact CD2-CD2 3.92Å; L75-L79 PolarHBondContact O-N 3.26Å; Y76-L79 PolarHBondContact O-N 2.89Å; Y76-L79 VanDerWaalsContact O-N 3.17Å; L79-K81 PolarHBondContact O-N 3.44Å; L79-F82 HydrophobicContact CD1-CD2 4.49Å; L79-F82 PolarHBondContact O-N 3.17Å; L79-V91 HydrophobicContact CD2-CG1 3.52Å; L79-V91 HydrophobicContact CD2-CG2 4.45Å; L79-V91 HydrophobicContact CG-CG1 4.08Å; L79-V91 HydrophobicContact CG-CG2 4.23Å
80M97.4Very high97.1Very high24 Ų2458.7 Ų58.712%0.11828%0.276CS..Hα-helixtrans-64.2-24177.9-63.9-55.2172.400113.3Y76 P77 F82 K83 V91 H130 F131Y76-M80 VanDerWaalsContact O-CG 3.29Å; Y76-M80 WeakPolarHBondContact O-CG 2.94Å; Y76-M80 PolarHBondContact O-N 2.77Å; P77-M80 PolarHBondContact O-N 3.09Å; M80-F82 PolarHBondContact O-N 3.25Å; M80-K83 WeakPolarHBondContact O-CB 3.49Å; M80-K83 PolarHBondContact O-N 3.13Å; M80-K83 VanDerWaalsContact O-N 3.15Å; M80-K83 HydrophobicContact SD-CD 4.17Å; M80-K83 WeakPolarHBondContact SD-CE 3.29Å; M80-K83 PolarHBondContact SD-NZ 3.12Å; M80-V91 HydrophobicContact CE-CB 3.84Å; M80-V91 HydrophobicContact CE-CG1 3.63Å; M80-V91 HydrophobicContact SD-CB 3.85Å; M80-V91 HydrophobicContact SD-CG1 4.11Å; M80-V91 HydrophobicContact SD-CG2 4.06Å; M80-H130 WeakPolarHBondContact CE-O 3.29Å; M80-H130 VanDerWaalsContact SD-O 3.34Å; M80-F131 HydrophobicContact CE-CB 4.32Å; M80-F131 HydrophobicContact CE-CD1 3.59Å; M80-F131 HydrophobicContact CE-CD2 4.15Å; M80-F131 HydrophobicContact CE-CE1 3.83Å; M80-F131 HydrophobicContact CE-CE2 4.36Å; M80-F131 HydrophobicContact CE-CG 3.75Å; M80-F131 HydrophobicContact CE-CZ 4.21Å
81K96.7Very high97.1Very high132 Ų13258.5 Ų58.557%0.57428%0.275SS*.G310 helixtrans-59-31.1176.3-77.7168.9-170.6175.60112.6P77 A78 L79 K83 K84P77-K81 WeakPolarHBondContact O-CG 3.42Å; P77-K81 PolarHBondContact O-N 3.18Å; P77-K81 VanDerWaalsContact O-N 3.11Å; A78-K81 WeakPolarHBondContact O-CB 3.44Å; A78-K81 PolarHBondContact O-N 3.32Å; L79-K81 PolarHBondContact O-N 3.44Å; K81-K83 PolarHBondContact O-N 3.21Å; K81-K84 WeakPolarHBondContact O-CB 3.48Å; K81-K84 PolarHBondContact O-N 3Å; K81-K84 VanDerWaalsContact O-N 3.12Å
82F96.8Very high97.1Very high32 Ų3261 Ų6114%0.1429%0.288CS..G310 helixtrans-66.8-20.5179.7-70.9-78.8000113.5P40 Y43 V45 L79 M80 K84 S85 Q86 L89P40-F82 WeakPolarHBondContact O-CE2 3.49Å; P40-F82 VanDerWaalsContact O-CZ 3.32Å; P40-F82 WeakPolarHBondContact O-CZ 3.41Å; Y43-F82 HydrophobicContact CD1-CB 4.29Å; Y43-F82 AromaticContact CD1-CD1 3.65Å; Y43-F82 HydrophobicContact CD1-CD1 3.65Å; Y43-F82 HydrophobicContact CD1-CD2 4.06Å; Y43-F82 AromaticContact CD1-CE1 3.86Å; Y43-F82 HydrophobicContact CD1-CE1 3.86Å; Y43-F82 HydrophobicContact CD1-CE2 4.29Å; Y43-F82 AromaticContact CD1-CG 3.73Å; Y43-F82 HydrophobicContact CD1-CG 3.73Å; Y43-F82 HydrophobicContact CD1-CZ 4.17Å; Y43-F82 HydrophobicContact CE1-CB 4.39Å; Y43-F82 HydrophobicContact CE1-CD1 4.29Å; Y43-F82 HydrophobicContact CE1-CG 4.29Å; V45-F82 HydrophobicContact CG2-CD1 3.91Å; V45-F82 HydrophobicContact CG2-CE1 4.07Å; L79-F82 HydrophobicContact CD1-CD2 4.49Å; L79-F82 PolarHBondContact O-N 3.17Å; M80-F82 PolarHBondContact O-N 3.25Å; F82-K84 PolarHBondContact O-N 3.45Å; F82-S85 PolarHBondContact O-N 3.15Å; F82-S85 PolarHBondContact O-OG 2.7Å; F82-S85 VanDerWaalsContact O-OG 3.07Å; F82-Q86 PolarHBondContact O-N 2.77Å; F82-L89 HydrophobicContact CB-CD2 3.59Å
83K96Very high97.1Very high48 Ų4859.5 Ų59.521%0.20928%0.28CS..G310 helixtrans-59.5-18.4172-62.1-174.3175.2-178.10113M80 K81 Q86 R87 H130 D132M80-K83 WeakPolarHBondContact O-CB 3.49Å; M80-K83 PolarHBondContact O-N 3.13Å; M80-K83 VanDerWaalsContact O-N 3.15Å; M80-K83 HydrophobicContact SD-CD 4.17Å; M80-K83 WeakPolarHBondContact SD-CE 3.29Å; M80-K83 PolarHBondContact SD-NZ 3.12Å; K81-K83 PolarHBondContact O-N 3.21Å; K83-Q86 WeakPolarHBondContact CA-O 3.33Å; K83-R87 WeakPolarHBondContact O-CD 3.4Å; K83-H130 PolarHBondContact NZ-O 2.63Å; K83-D132 WeakPolarHBondContact CE-OD2 3.36Å; K83-D132 VanDerWaalsContact NZ-CG 3.27Å; K83-D132 IonicContact NZ-OD1 2.7Å; K83-D132 PolarHBondContact NZ-OD1 3.16Å; K83-D132 IonicContact NZ-OD2 3.15Å; K83-D132 PolarHBondContact NZ-OD2 3.22Å
84K94.7Very high97.2Very high179 Ų17953.5 Ų53.578%0.77825%0.249SC*.G310 helixtrans-74.9-41.2173.9-66.4-177.2177.9-177.90112.4K81 F82K81-K84 WeakPolarHBondContact O-CB 3.48Å; K81-K84 PolarHBondContact O-N 3Å; K81-K84 VanDerWaalsContact O-N 3.12Å; F82-K84 PolarHBondContact O-N 3.45Å
85S94.6Very high97.2Very high75 Ų7550.8 Ų50.852%0.52424%0.242SC..THydrogen-bonded Turntrans-87.1-29.8-179.3530000112.9F82F82-S85 PolarHBondContact O-N 3.15Å; F82-S85 PolarHBondContact O-OG 2.7Å; F82-S85 VanDerWaalsContact O-OG 3.07Å
86Q95.4Very high97.2Very high2 Ų251.4 Ų51.41%0.00925%0.249CC..  trans-12598.1179.6-175.4-178.2-11.400109.2Y43 V45 D46 C48 F82 K83 D88 L89Y43-Q86 PolarHBondContact OH-OE1 3.31Å; Y43-Q86 VanDerWaalsContact OH-OE1 3.04Å; V45-Q86 HydrophobicContact CG1-CB 4.14Å; D46-Q86 WeakPolarHBondContact OD1-CG 3.49Å; C48-Q86 PolarHBondContact O-NE2 3.1Å; F82-Q86 PolarHBondContact O-N 2.77Å; K83-Q86 WeakPolarHBondContact CA-O 3.33Å; Q86-D88 VanDerWaalsContact C-N 3.32Å; Q86-D88 WeakPolarHBondContact CG-OD1 3.46Å; Q86-D88 PolarHBondContact O-N 3.37Å; Q86-L89 HydrophobicContact CB-CB 4.13Å; Q86-L89 HydrophobicContact CG-CB 3.89Å; Q86-L89 WeakPolarHBondContact O-CB 3.35Å; Q86-L89 PolarHBondContact O-N 3.29Å
87R94.6Very high97.1Very high215 Ų21553 Ų5381%0.81127%0.266SS*.THydrogen-bonded Turntrans-73.6-21.6-169.3-66.7-61.4-57.7-104.5-3114.1K83K83-R87 WeakPolarHBondContact O-CD 3.4Å
88D95Very high97.1Very high77 Ų7762 Ų6241%0.41229%0.293SS..THydrogen-bonded Turntrans-88-9.917763.1-37.1000113Q86 K90Q86-D88 VanDerWaalsContact C-N 3.32Å; Q86-D88 WeakPolarHBondContact CG-OD1 3.46Å; Q86-D88 PolarHBondContact O-N 3.37Å; D88-K90 PolarHBondContact O-N 2.92Å
89L97.4Very high97.1Very high3 Ų369.4 Ų69.42%0.01633%0.332CS..  trans-60.1125.1179-179.263.1000111.8Y43 V51 F82 Q86 V91Y43-L89 HydrophobicContact CE1-CD2 4.38Å; V51-L89 HydrophobicContact CG2-CD1 3.81Å; F82-L89 HydrophobicContact CB-CD2 3.59Å; Q86-L89 HydrophobicContact CB-CB 4.13Å; Q86-L89 HydrophobicContact CG-CB 3.89Å; Q86-L89 WeakPolarHBondContact O-CB 3.35Å; Q86-L89 PolarHBondContact O-N 3.29Å; L89-V91 HydrophobicContact CD2-CG2 4.27Å; L89-V91 HydrophobicContact CG-CG2 4.15Å
90K98.3Very high97.1Very high79 Ų7971.8 Ų71.834%0.34335%0.352SS..EExtended strand (participates in β ladder)trans-108132.1170.5-56-57.3178.1-175.70110.4E49 Y50 V51 D88 L92 D132E49-K90 PolarHBondContact O-N 2.9Å; Y50-K90 CarbonylContact C-O 3.53Å; Y50-K90 WeakPolarHBondContact CA-O 3.47Å; Y50-K90 HydrophobicContact CD1-CB 3.7Å; Y50-K90 HydrophobicContact CD1-CG 4.13Å; Y50-K90 HydrophobicContact CE1-CB 4.01Å; Y50-K90 HydrophobicContact CE1-CG 3.9Å; Y50-K90 HydrophobicContact CG-CB 4.48Å; V51-K90 PolarHBondContact N-O 2.82Å; D88-K90 PolarHBondContact O-N 2.92Å; K90-L92 HydrophobicContact CB-CD1 3.96Å; K90-D132 VanDerWaalsContact CA-OD2 3.3Å; K90-D132 WeakPolarHBondContact CA-OD2 3.49Å; K90-D132 HydrophobicContact CB-CB 4.24Å; K90-D132 HydrophobicContact CD-CB 4.02Å; K90-D132 IonicContact NZ-OD1 3.74Å
91V98.4Very high97.1Very high0 Ų072.6 Ų72.60%037%0.366CS..EExtended strand (participates in β ladder)trans-118.9112178.7-176.20000108.2V51 L79 M80 L89 F131 D132V51-V91 CarbonylContact O-C 3.56Å; V51-V91 WeakPolarHBondContact O-CA 3.36Å; L79-V91 HydrophobicContact CD2-CG1 3.52Å; L79-V91 HydrophobicContact CD2-CG2 4.45Å; L79-V91 HydrophobicContact CG-CG1 4.08Å; L79-V91 HydrophobicContact CG-CG2 4.23Å; M80-V91 HydrophobicContact CE-CB 3.84Å; M80-V91 HydrophobicContact CE-CG1 3.63Å; M80-V91 HydrophobicContact SD-CB 3.85Å; M80-V91 HydrophobicContact SD-CG1 4.11Å; M80-V91 HydrophobicContact SD-CG2 4.06Å; L89-V91 HydrophobicContact CD2-CG2 4.27Å; L89-V91 HydrophobicContact CG-CG2 4.15Å; V91-F131 HydrophobicContact CG1-CD1 3.99Å; V91-F131 HydrophobicContact CG1-CE1 3.96Å; V91-F131 WeakPolarHBondContact O-CA 3.28Å; V91-F131 WeakPolarHBondContact O-CD1 3.47Å; V91-D132 PolarHBondContact N-OD2 3.08Å; V91-D132 PolarHBondContact O-N 3Å
92L98.8Very high97.1Very high52 Ų5270.4 Ų70.427%0.27236%0.364SS..EExtended strand (participates in β ladder)trans-108.1145.7-177-67.288.6000110.2Y50 V51 F52 Y53 K90Y50-L92 HydrophobicContact CD1-CD1 3.78Å; V51-L92 PolarHBondContact O-N 3.37Å; F52-L92 CarbonylContact C-O 3.59Å; F52-L92 WeakPolarHBondContact CA-O 3.23Å; F52-L92 HydrophobicContact CD1-CB 4.08Å; F52-L92 HydrophobicContact CE1-CB 4.41Å; F52-L92 HydrophobicContact CE1-CD1 4.45Å; F52-L92 HydrophobicContact CE1-CD2 4.2Å; Y53-L92 PolarHBondContact N-O 3.18Å; K90-L92 HydrophobicContact CB-CD1 3.96Å
93L98.8Very high97.2Very high25 Ų2572.3 Ų72.313%0.13138%0.381CS..EExtended strand (participates in β ladder)trans-94.9118.3177-17661.5000110.9Y53 A56 F125 I126 F131Y53-L93 HydrophobicContact CD1-CD1 4.08Å; A56-L93 HydrophobicContact CB-CD1 3.74Å; A56-L93 HydrophobicContact CB-CD2 3.67Å; A56-L93 HydrophobicContact CB-CG 3.76Å; L93-F125 HydrophobicContact CD2-CD1 3.56Å; L93-F125 HydrophobicContact CD2-CE1 3.63Å; L93-I126 HydrophobicContact CD2-CG2 4.48Å; L93-F131 HydrophobicContact CB-CD1 3.72Å; L93-F131 HydrophobicContact CB-CD2 4.25Å; L93-F131 HydrophobicContact CB-CE1 3.79Å; L93-F131 HydrophobicContact CB-CE2 4.3Å; L93-F131 HydrophobicContact CB-CG 3.97Å; L93-F131 HydrophobicContact CB-CZ 4.09Å; L93-F131 HydrophobicContact CD1-CE1 4.05Å; L93-F131 HydrophobicContact CD1-CE2 4.3Å; L93-F131 HydrophobicContact CD1-CZ 3.77Å; L93-F131 HydrophobicContact CD2-CD2 4.43Å; L93-F131 HydrophobicContact CD2-CE2 4.19Å; L93-F131 HydrophobicContact CD2-CZ 4.47Å; L93-F131 HydrophobicContact CG-CE1 4.45Å; L93-F131 HydrophobicContact CG-CZ 4.33Å
94S98.9Very high97.3Very high16 Ų1671.2 Ų71.211%0.11238%0.379CS..EExtended strand (participates in β ladder)trans-87.1134.5174.7-63.70000110.8Y53 F55 A56Y53-S94 WeakPolarHBondContact O-CB 3.37Å; Y53-S94 PolarHBondContact O-N 3.06Å; F55-S94 CarbonylContact C-O 3.5Å; F55-S94 WeakPolarHBondContact CA-O 3.39Å; A56-S94 PolarHBondContact N-O 3.44Å
95I98.7Very high97.5Very high45 Ų4565.7 Ų65.723%0.23136%0.355CS..EExtended strand (participates in β ladder)trans-118.8126.6176.3-58.9163.6000108.3A56 L58 V64 F105 F118 V122A56-I95 HydrophobicContact CB-CG1 3.89Å; L58-I95 HydrophobicContact CB-CG2 4.02Å; V64-I95 HydrophobicContact CG1-CD1 4.1Å; V64-I95 HydrophobicContact CG1-CG1 4.43Å; V64-I95 HydrophobicContact CG2-CD1 3.8Å; I95-F105 HydrophobicContact CG2-CE1 4.41Å; I95-F105 HydrophobicContact CG2-CZ 4.13Å; I95-F118 HydrophobicContact CD1-CE2 4.13Å; I95-F118 HydrophobicContact CD1-CZ 4.16Å; I95-V122 HydrophobicContact CD1-CG2 3.91Å
96G98.1Very high97.6Very high13 Ų1368.8 Ų68.813%0.13436%0.359CS..  trans120.7-120178.900000113A100G96-A100 WeakPolarHBondContact O-CB 3.43Å
97G97.4Very high97.8Very high36 Ų3673.2 Ų73.237%0.37138%0.375SS..  trans84.7169-170.700000113N99 A100G97-N99 PolarHBondContact O-N 2.93Å; G97-A100 WeakPolarHBondContact O-CB 3.44Å; G97-A100 PolarHBondContact O-N 3.24Å
98W98.2Very high97.9Very high243 Ų24363.7 Ų63.792%0.9234%0.34SS*.G310 helixtrans-55.9-48-173.1-179.3-103000113.1A100 G101W98-A100 VanDerWaalsContact C-N 3.26Å; W98-A100 PolarHBondContact O-N 2.91Å; W98-G101 PolarHBondContact O-N 3.13Å
99N97.4Very high98.1Very high160 Ų16062.7 Ų62.786%0.85634%0.343SS*.G310 helixtrans-71.7-16-176-68.9-13.3000114G97 G101G97-N99 PolarHBondContact O-N 2.93Å; N99-G101 PolarHBondContact O-N 2.93Å
100A97.1Very high98.1Very high52 Ų5269.7 Ų69.743%0.4338%0.375SS..G310 helixtrans-69.3-20.2174.100000112.2G96 G97 W98 F105G96-A100 WeakPolarHBondContact O-CB 3.43Å; G97-A100 WeakPolarHBondContact O-CB 3.44Å; G97-A100 PolarHBondContact O-N 3.24Å; W98-A100 VanDerWaalsContact C-N 3.26Å; W98-A100 PolarHBondContact O-N 2.91Å; A100-F105 HydrophobicContact CB-CE2 4.23Å
101G97.3Very high98.1Very high40 Ų4067.7 Ų67.741%0.41237%0.371SS..  trans59.9-159.9-174.200000112.1W98 N99W98-G101 PolarHBondContact O-N 3.13Å; N99-G101 PolarHBondContact O-N 2.93Å
102T98Very high98.1Very high87 Ų8774.9 Ų74.953%0.53440%0.403SS..SBendtrans-121.4-11.2-172.6630000114.6V104 F105 K106T102-V104 PolarHBondContact O-N 3.22Å; T102-F105 PolarHBondContact O-N 3.4Å; T102-K106 WeakPolarHBondContact O-CB 3.32Å; T102-K106 WeakPolarHBondContact O-CG 3.14Å; T102-K106 PolarHBondContact O-N 3.5Å
103S98.1Very high98.1Very high71 Ų7175.5 Ų75.550%0.49742%0.415SS..Hα-helixtrans-62.9-45.2-167.570.40000113K106 R107S103-K106 PolarHBondContact O-N 2.86Å; S103-R107 VanDerWaalsContact C-NH1 3.32Å; S103-R107 PolarHBondContact O-N 2.86Å; S103-R107 PolarHBondContact O-NH1 3.41Å; S103-R107 VanDerWaalsContact O-NH1 3.08Å
104V97.8Very high98.1Very high26 Ų2676.5 Ų76.516%0.15842%0.421CS..Hα-helixtrans-68-44.2178.3-175.30000110.5L58 N59 F62 T102 K106 R107 L108L58-V104 HydrophobicContact CD2-CB 4.34Å; L58-V104 HydrophobicContact CD2-CG1 3.73Å; L58-V104 HydrophobicContact CG-CG1 3.8Å; N59-V104 WeakPolarHBondContact O-CG1 3.26Å; F62-V104 HydrophobicContact CD1-CG1 4.15Å; F62-V104 HydrophobicContact CE1-CG1 4.2Å; T102-V104 PolarHBondContact O-N 3.22Å; V104-K106 VanDerWaalsContact C-N 3.32Å; V104-K106 PolarHBondContact O-N 3.09Å; V104-R107 PolarHBondContact O-N 3.24Å; V104-L108 VanDerWaalsContact O-CB 3.25Å; V104-L108 WeakPolarHBondContact O-CB 3.39Å; V104-L108 PolarHBondContact O-N 3.27Å
105F98.5Very high98.1Very high63 Ų6380.7 Ų80.728%0.27643%0.434SS..Hα-helixtrans-60.7-39.1176.5-71.9-76.8000112.8L58 I95 A100 T102 L108 A109L58-F105 HydrophobicContact CD2-CD1 3.82Å; L58-F105 HydrophobicContact CD2-CD2 4.41Å; L58-F105 HydrophobicContact CD2-CE1 3.63Å; L58-F105 HydrophobicContact CD2-CE2 4.24Å; L58-F105 HydrophobicContact CD2-CG 4.21Å; L58-F105 HydrophobicContact CD2-CZ 3.86Å; I95-F105 HydrophobicContact CG2-CE1 4.41Å; I95-F105 HydrophobicContact CG2-CZ 4.13Å; A100-F105 HydrophobicContact CB-CE2 4.23Å; T102-F105 PolarHBondContact O-N 3.4Å; F105-L108 HydrophobicContact CD1-CD2 4.29Å; F105-L108 WeakPolarHBondContact O-CB 3.23Å; F105-A109 WeakPolarHBondContact O-CB 3.43Å; F105-A109 PolarHBondContact O-N 2.5Å; F105-A109 VanDerWaalsContact O-N 3.09Å
106K98.3Very high98.1Very high139 Ų13983.2 Ų83.260%0.60444%0.444SS*.Hα-helixtrans-62-44.9174.8-75.9-176.2179.4-167.60111.4T102 S103 V104 Q110T102-K106 WeakPolarHBondContact O-CB 3.32Å; T102-K106 WeakPolarHBondContact O-CG 3.14Å; T102-K106 PolarHBondContact O-N 3.5Å; S103-K106 PolarHBondContact O-N 2.86Å; V104-K106 VanDerWaalsContact C-N 3.32Å; V104-K106 PolarHBondContact O-N 3.09Å; K106-Q110 VanDerWaalsContact O-CG 3.32Å; K106-Q110 WeakPolarHBondContact O-CG 3.18Å
107R98.3Very high98.1Very high95 Ų9586.7 Ų86.736%0.35846%0.455SS..Hα-helixtrans-67-46.6177.4-67.7-169.4-55.2-79.13.1112.3F62 S103 V104 A109 Q110F62-R107 HydrophobicContact CE1-CB 3.96Å; F62-R107 HydrophobicContact CZ-CB 3.86Å; S103-R107 VanDerWaalsContact C-NH1 3.32Å; S103-R107 PolarHBondContact O-N 2.86Å; S103-R107 PolarHBondContact O-NH1 3.41Å; S103-R107 VanDerWaalsContact O-NH1 3.08Å; V104-R107 PolarHBondContact O-N 3.24Å; R107-A109 PolarHBondContact O-N 3.04Å; R107-Q110 WeakPolarHBondContact O-CB 2.88Å; R107-Q110 PolarHBondContact O-N 3.17Å
108L97.9Very high98.2Very high15 Ų1587 Ų878%0.07945%0.446CS..Hα-helixtrans-49.2-43.3174.9175.9103.5000112.6L58 F62 V104 F105 Q110 D114 R115 F118L58-L108 HydrophobicContact CD1-CD1 4.3Å; L58-L108 HydrophobicContact CD2-CD1 4.49Å; F62-L108 HydrophobicContact CB-CD1 3.67Å; F62-L108 HydrophobicContact CD1-CB 3.78Å; F62-L108 HydrophobicContact CD1-CD1 3.67Å; F62-L108 HydrophobicContact CD1-CG 4.36Å; F62-L108 HydrophobicContact CE1-CB 3.92Å; F62-L108 HydrophobicContact CG-CD1 3.84Å; V104-L108 VanDerWaalsContact O-CB 3.25Å; V104-L108 WeakPolarHBondContact O-CB 3.39Å; V104-L108 PolarHBondContact O-N 3.27Å; F105-L108 HydrophobicContact CD1-CD2 4.29Å; F105-L108 WeakPolarHBondContact O-CB 3.23Å; L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 3.14Å; L108-D114 WeakPolarHBondContact O-CB 3.48Å; L108-R115 WeakPolarHBondContact O-CG 3.35Å; L108-F118 HydrophobicContact CD1-CB 3.38Å; L108-F118 HydrophobicContact CD1-CD1 4.2Å; L108-F118 HydrophobicContact CD1-CD2 3.83Å; L108-F118 HydrophobicContact CD1-CG 3.55Å; L108-F118 HydrophobicContact CD2-CD1 4.28Å; L108-F118 HydrophobicContact CD2-CG 4.4Å; L108-F118 HydrophobicContact CG-CB 4.39Å; L108-F118 HydrophobicContact CG-CG 4.45Å
109A98Very high98.2Very high56 Ų5679.9 Ų79.946%0.46343%0.425SS..Hα-helixtrans-76-15.4-175.600000113.8F105 R107 S111 R115F105-A109 WeakPolarHBondContact O-CB 3.43Å; F105-A109 PolarHBondContact O-N 2.5Å; F105-A109 VanDerWaalsContact O-N 3.09Å; R107-A109 PolarHBondContact O-N 3.04Å; A109-S111 PolarHBondContact O-N 2.76Å; A109-R115 PolarHBondContact O-NH1 3.29Å
110Q97.9Very high98.3Very high150 Ų15075.8 Ų75.870%0.70140%0.403SS*.THydrogen-bonded Turntrans-70.5-27.6-170-79.9167-11.900114.3K106 R107 L108K106-Q110 VanDerWaalsContact O-CG 3.32Å; K106-Q110 WeakPolarHBondContact O-CG 3.18Å; R107-Q110 WeakPolarHBondContact O-CB 2.88Å; R107-Q110 PolarHBondContact O-N 3.17Å; L108-Q110 VanDerWaalsContact C-N 3.3Å; L108-Q110 PolarHBondContact O-N 3.14Å
111S98.2Very high98.3Very high37 Ų3774.3 Ų74.326%0.25939%0.39SS..  trans-132.8153.6-177.187.80000112.8A109 A113 D114 R115A109-S111 PolarHBondContact O-N 2.76Å; S111-A113 VanDerWaalsContact C-N 3.28Å; S111-A113 PolarHBondContact O-N 3.21Å; S111-A113 PolarHBondContact OG-N 3.36Å; S111-D114 WeakPolarHBondContact CB-OD2 3.48Å; S111-D114 WeakPolarHBondContact OG-CB 3.35Å; S111-D114 PolarHBondContact OG-N 3.17Å; S111-D114 PolarHBondContact OG-OD2 3.31Å; S111-R115 WeakPolarHBondContact O-CG 3.37Å; S111-R115 PolarHBondContact O-N 2.87Å; S111-R115 PolarHBondContact O-NH1 2.9Å
112F98.6Very high98.4Very high151 Ų15173.8 Ų73.866%0.66238%0.379SS*.Hα-helixtrans-62.2-38.6172.5177.6-91.6000111.5R115 K116F112-R115 PolarHBondContact O-N 3.33Å; F112-K116 HydrophobicContact CE1-CD 4.35Å; F112-K116 WeakPolarHBondContact O-CB 3.35Å; F112-K116 PolarHBondContact O-N 2.8Å
113A98.5Very high98.4Very high65 Ų6572.3 Ų72.354%0.53737%0.37SS..Hα-helixtrans-62.8-43.7-179.600000111.9S111 K116 K117S111-A113 VanDerWaalsContact C-N 3.28Å; S111-A113 PolarHBondContact O-N 3.21Å; S111-A113 PolarHBondContact OG-N 3.36Å; A113-K116 PolarHBondContact O-N 3.04Å; A113-K117 PolarHBondContact O-N 3.44Å
114D98.5Very high98.5Very high46 Ų4672.7 Ų72.725%0.24637%0.372CS..Hα-helixtrans-68.7-43.1-179.9-60.8-35.7000111.6F62 L108 S111 K116 K117 F118F62-D114 HydrophobicContact CD2-CB 3.65Å; F62-D114 HydrophobicContact CE2-CB 3.63Å; F62-D114 VanDerWaalsContact CE2-OD1 3.23Å; F62-D114 WeakPolarHBondContact CE2-OD1 3.44Å; F62-D114 HydrophobicContact CG-CB 4.44Å; F62-D114 HydrophobicContact CZ-CB 4.38Å; L108-D114 WeakPolarHBondContact O-CB 3.48Å; S111-D114 WeakPolarHBondContact CB-OD2 3.48Å; S111-D114 WeakPolarHBondContact OG-CB 3.35Å; S111-D114 PolarHBondContact OG-N 3.17Å; S111-D114 PolarHBondContact OG-OD2 3.31Å; D114-K116 VanDerWaalsContact C-N 3.31Å; D114-K116 PolarHBondContact O-N 2.89Å; D114-K117 PolarHBondContact O-N 2.88Å; D114-F118 PolarHBondContact O-N 2.92Å
115R98.8Very high98.5Very high105 Ų10572.3 Ų72.340%0.39637%0.368SS..Hα-helixtrans-60.3-41.6172.6-68.1-168.7-55-91.52.8111.6L108 A109 S111 F112 F118 I119L108-R115 WeakPolarHBondContact O-CG 3.35Å; A109-R115 PolarHBondContact O-NH1 3.29Å; S111-R115 WeakPolarHBondContact O-CG 3.37Å; S111-R115 PolarHBondContact O-N 2.87Å; S111-R115 PolarHBondContact O-NH1 2.9Å; F112-R115 PolarHBondContact O-N 3.33Å; R115-F118 PolarHBondContact O-N 3.36Å; R115-I119 WeakPolarHBondContact O-CB 3.34Å; R115-I119 WeakPolarHBondContact O-CD1 3.44Å; R115-I119 VanDerWaalsContact O-CG1 3.23Å; R115-I119 WeakPolarHBondContact O-CG1 3.35Å; R115-I119 PolarHBondContact O-N 3.21Å
116K98.7Very high98.5Very high98 Ų9871.5 Ų71.543%0.42637%0.366SS..Hα-helixtrans-62.4-47.6176.5175.1165.2172.343.20111.4F112 A113 D114 F118 I119 D120F112-K116 HydrophobicContact CE1-CD 4.35Å; F112-K116 WeakPolarHBondContact O-CB 3.35Å; F112-K116 PolarHBondContact O-N 2.8Å; A113-K116 PolarHBondContact O-N 3.04Å; D114-K116 VanDerWaalsContact C-N 3.31Å; D114-K116 PolarHBondContact O-N 2.89Å; K116-F118 VanDerWaalsContact C-N 3.28Å; K116-F118 PolarHBondContact O-N 3.02Å; K116-I119 PolarHBondContact O-N 3.44Å; K116-D120 VanDerWaalsContact NZ-CG 3.34Å; K116-D120 IonicContact NZ-OD1 2.84Å; K116-D120 PolarHBondContact NZ-OD1 3Å; K116-D120 VanDerWaalsContact NZ-OD1 3.15Å; K116-D120 IonicContact NZ-OD2 2.62Å; K116-D120 PolarHBondContact NZ-OD2 3.49Å; K116-D120 WeakPolarHBondContact O-CB 3.47Å; K116-D120 VanDerWaalsContact O-CG 3.25Å; K116-D120 PolarHBondContact O-N 3.01Å
117K98.6Very high98.5Very high86 Ų8671.9 Ų71.937%0.37437%0.368SS..Hα-helixtrans-56.7-44.3177.4-174178.3178.2-166.20111.5D61 A113 D114 S121D61-K117 VanDerWaalsContact O-CD 3.29Å; D61-K117 WeakPolarHBondContact O-CD 3.42Å; D61-K117 WeakPolarHBondContact O-CE 3.48Å; D61-K117 PolarHBondContact O-NZ 3.49Å; D61-K117 IonicContact OD2-NZ 3.42Å; D61-K117 PolarHBondContact OD2-NZ 3.35Å; A113-K117 PolarHBondContact O-N 3.44Å; D114-K117 PolarHBondContact O-N 2.88Å; K117-S121 WeakPolarHBondContact O-CB 3.47Å; K117-S121 PolarHBondContact O-N 2.83Å
118F98.8Very high98.5Very high41 Ų4173.1 Ų73.118%0.1838%0.381CS..Hα-helixtrans-63.1-48.9175.7169.5-110.6000113.4L58 F62 V64 I95 L108 D114 R115 K116 D120 S121 V122L58-F118 HydrophobicContact CD1-CD2 3.74Å; L58-F118 HydrophobicContact CD1-CE2 3.91Å; F62-F118 HydrophobicContact CB-CB 4.4Å; F62-F118 WeakPolarHBondContact O-CA 3.42Å; V64-F118 HydrophobicContact CG2-CD2 4Å; V64-F118 HydrophobicContact CG2-CE2 3.69Å; I95-F118 HydrophobicContact CD1-CE2 4.13Å; I95-F118 HydrophobicContact CD1-CZ 4.16Å; L108-F118 HydrophobicContact CD1-CB 3.38Å; L108-F118 HydrophobicContact CD1-CD1 4.2Å; L108-F118 HydrophobicContact CD1-CD2 3.83Å; L108-F118 HydrophobicContact CD1-CG 3.55Å; L108-F118 HydrophobicContact CD2-CD1 4.28Å; L108-F118 HydrophobicContact CD2-CG 4.4Å; L108-F118 HydrophobicContact CG-CB 4.39Å; L108-F118 HydrophobicContact CG-CG 4.45Å; D114-F118 PolarHBondContact O-N 2.92Å; R115-F118 PolarHBondContact O-N 3.36Å; K116-F118 VanDerWaalsContact C-N 3.28Å; K116-F118 PolarHBondContact O-N 3.02Å; F118-D120 VanDerWaalsContact C-N 3.34Å; F118-D120 PolarHBondContact O-N 3.42Å; F118-S121 PolarHBondContact O-N 2.8Å; F118-V122 HydrophobicContact CD1-CG2 4.38Å; F118-V122 HydrophobicContact CD2-CG2 3.83Å; F118-V122 HydrophobicContact CE1-CG2 4.02Å; F118-V122 HydrophobicContact CE2-CG2 3.41Å; F118-V122 VanDerWaalsContact CE2-CG2 3.41Å; F118-V122 HydrophobicContact CG-CG2 4.3Å; F118-V122 HydrophobicContact CZ-CG2 3.52Å; F118-V122 WeakPolarHBondContact O-CG2 3.42Å; F118-V122 PolarHBondContact O-N 3.43Å
119I98.8Very high98.5Very high94 Ų9473.6 Ų73.648%0.48238%0.383SS..Hα-helixtrans-59.3-47179.6-71164.1000110.4R115 K116 S121 V122 V123R115-I119 WeakPolarHBondContact O-CB 3.34Å; R115-I119 WeakPolarHBondContact O-CD1 3.44Å; R115-I119 VanDerWaalsContact O-CG1 3.23Å; R115-I119 WeakPolarHBondContact O-CG1 3.35Å; R115-I119 PolarHBondContact O-N 3.21Å; K116-I119 PolarHBondContact O-N 3.44Å; I119-S121 VanDerWaalsContact C-N 3.28Å; I119-S121 PolarHBondContact O-N 3.06Å; I119-V122 PolarHBondContact O-N 3.05Å; I119-V123 HydrophobicContact CG2-CG2 4.31Å; I119-V123 WeakPolarHBondContact O-CB 3.47Å; I119-V123 VanDerWaalsContact O-CG2 3.26Å; I119-V123 WeakPolarHBondContact O-CG2 3.5Å; I119-V123 PolarHBondContact O-N 3.44Å
120D98.8Very high98.5Very high74 Ų7477.6 Ų77.640%0.39639%0.392SS..Hα-helixtrans-60.6-40.3178.6-66.3-19000111.1K116 F118 S124K116-D120 VanDerWaalsContact NZ-CG 3.34Å; K116-D120 IonicContact NZ-OD1 2.84Å; K116-D120 PolarHBondContact NZ-OD1 3Å; K116-D120 VanDerWaalsContact NZ-OD1 3.15Å; K116-D120 IonicContact NZ-OD2 2.62Å; K116-D120 PolarHBondContact NZ-OD2 3.49Å; K116-D120 WeakPolarHBondContact O-CB 3.47Å; K116-D120 VanDerWaalsContact O-CG 3.25Å; K116-D120 PolarHBondContact O-N 3.01Å; F118-D120 VanDerWaalsContact C-N 3.34Å; F118-D120 PolarHBondContact O-N 3.42Å; D120-S124 WeakPolarHBondContact O-CB 3.41Å; D120-S124 PolarHBondContact O-N 3.09Å; D120-S124 VanDerWaalsContact O-N 3.1Å; D120-S124 PolarHBondContact O-OG 2.86Å
121S98.8Very high98.5Very high22 Ų2271.3 Ų71.315%0.15436%0.362CS..Hα-helixtrans-67.2-45176.5-177.40000112.6T63 V64 K117 F118 I119 S124 F125T63-S121 WeakPolarHBondContact CA-OG 3.25Å; V64-S121 PolarHBondContact N-OG 3.08Å; K117-S121 WeakPolarHBondContact O-CB 3.47Å; K117-S121 PolarHBondContact O-N 2.83Å; F118-S121 PolarHBondContact O-N 2.8Å; I119-S121 VanDerWaalsContact C-N 3.28Å; I119-S121 PolarHBondContact O-N 3.06Å; S121-S124 PolarHBondContact O-N 3.19Å; S121-F125 WeakPolarHBondContact O-CB 3.48Å; S121-F125 PolarHBondContact O-N 2.86Å
122V98.8Very high98.5Very high29 Ų2973.9 Ų73.918%0.17637%0.373CS..Hα-helixtrans-59.2-51.7176.5168.60000110.3V64 I95 F118 I119 S124 F125 I126V64-V122 HydrophobicContact CG2-CG2 3.67Å; I95-V122 HydrophobicContact CD1-CG2 3.91Å; F118-V122 HydrophobicContact CD1-CG2 4.38Å; F118-V122 HydrophobicContact CD2-CG2 3.83Å; F118-V122 HydrophobicContact CE1-CG2 4.02Å; F118-V122 HydrophobicContact CE2-CG2 3.41Å; F118-V122 VanDerWaalsContact CE2-CG2 3.41Å; F118-V122 HydrophobicContact CG-CG2 4.3Å; F118-V122 HydrophobicContact CZ-CG2 3.52Å; F118-V122 WeakPolarHBondContact O-CG2 3.42Å; F118-V122 PolarHBondContact O-N 3.43Å; I119-V122 PolarHBondContact O-N 3.05Å; V122-S124 VanDerWaalsContact C-N 3.26Å; V122-S124 PolarHBondContact O-N 3.09Å; V122-F125 PolarHBondContact O-N 3.19Å; V122-F125 VanDerWaalsContact O-N 3.13Å; V122-I126 HydrophobicContact CG1-CD1 4.47Å; V122-I126 HydrophobicContact CG1-CG2 4.21Å; V122-I126 WeakPolarHBondContact O-CG1 3.36Å; V122-I126 WeakPolarHBondContact O-CG2 3.11Å; V122-I126 PolarHBondContact O-N 3.4Å
123V98.8Very high98.5Very high56 Ų5670.1 Ų70.134%0.33936%0.359SS..Hα-helixtrans-58.3-41.6-178.8171.10000111I119 K127I119-V123 HydrophobicContact CG2-CG2 4.31Å; I119-V123 WeakPolarHBondContact O-CB 3.47Å; I119-V123 VanDerWaalsContact O-CG2 3.26Å; I119-V123 WeakPolarHBondContact O-CG2 3.5Å; I119-V123 PolarHBondContact O-N 3.44Å; V123-K127 HydrophobicContact CG1-CD 4.1Å; V123-K127 WeakPolarHBondContact O-CB 3.29Å; V123-K127 VanDerWaalsContact O-CG 3.25Å; V123-K127 WeakPolarHBondContact O-CG 3.37Å; V123-K127 PolarHBondContact O-N 2.57Å
124S98.7Very high98.5Very high79 Ų7970.3 Ų70.355%0.55235%0.349SS*.Hα-helixtrans-64.8-46.8176.8-57.80000111.3D120 S121 V122 L128D120-S124 WeakPolarHBondContact O-CB 3.41Å; D120-S124 PolarHBondContact O-N 3.09Å; D120-S124 VanDerWaalsContact O-N 3.1Å; D120-S124 PolarHBondContact O-OG 2.86Å; S121-S124 PolarHBondContact O-N 3.19Å; V122-S124 VanDerWaalsContact C-N 3.26Å; V122-S124 PolarHBondContact O-N 3.09Å; S124-L128 VanDerWaalsContact O-CB 3.29Å; S124-L128 WeakPolarHBondContact O-CB 3.32Å; S124-L128 PolarHBondContact O-N 2.85Å
125F98.7Very high98.5Very high17 Ų1771.7 Ų71.78%0.07536%0.355CS..Hα-helixtrans-67-46.1-176.2-164-93.6000112.7V64 N66 Y76 L93 S121 V122 K127 L128 H129V64-F125 HydrophobicContact CG1-CD1 4.12Å; V64-F125 HydrophobicContact CG1-CG 4.24Å; N66-F125 HydrophobicContact CB-CZ 4.5Å; Y76-F125 AromaticContact CE2-CE1 3.99Å; Y76-F125 HydrophobicContact CE2-CE1 3.99Å; Y76-F125 HydrophobicContact CE2-CZ 4.04Å; L93-F125 HydrophobicContact CD2-CD1 3.56Å; L93-F125 HydrophobicContact CD2-CE1 3.63Å; S121-F125 WeakPolarHBondContact O-CB 3.48Å; S121-F125 PolarHBondContact O-N 2.86Å; V122-F125 PolarHBondContact O-N 3.19Å; V122-F125 VanDerWaalsContact O-N 3.13Å; F125-K127 VanDerWaalsContact C-N 3.34Å; F125-K127 PolarHBondContact O-N 3.49Å; F125-L128 PolarHBondContact O-N 3.3Å; F125-H129 AromaticContact CD1-CD2 3.76Å; F125-H129 AromaticContact CD2-CD2 3.83Å; F125-H129 AromaticContact CD2-NE2 3.84Å; F125-H129 AromaticContact CE1-CD2 3.55Å; F125-H129 AromaticContact CE2-CD2 3.6Å; F125-H129 AromaticContact CE2-NE2 3.4Å; F125-H129 WeakPolarHBondContact CE2-NE2 3.23Å; F125-H129 AromaticContact CG-CD2 3.9Å; F125-H129 AromaticContact CZ-CD2 3.46Å; F125-H129 VanDerWaalsContact CZ-CD2 3.46Å; F125-H129 WeakPolarHBondContact CZ-CD2 3.45Å; F125-H129 AromaticContact CZ-NE2 3.6Å; F125-H129 PolarHBondContact O-CD2 3.36Å; F125-H129 VanDerWaalsContact O-CD2 3.22Å; F125-H129 PolarHBondContact O-N 3.4Å; F125-H129 VanDerWaalsContact O-N 3.1Å
126I98.6Very high98.5Very high46 Ų4669.7 Ų69.724%0.23635%0.353CS..Hα-helixtrans-65.4-38-179.767.1-177.5000111.9L93 V122 H129 H130 F131L93-I126 HydrophobicContact CD2-CG2 4.48Å; V122-I126 HydrophobicContact CG1-CD1 4.47Å; V122-I126 HydrophobicContact CG1-CG2 4.21Å; V122-I126 WeakPolarHBondContact O-CG1 3.36Å; V122-I126 WeakPolarHBondContact O-CG2 3.11Å; V122-I126 PolarHBondContact O-N 3.4Å; I126-H129 PolarHBondContact O-N 3.28Å; I126-H130 PolarHBondContact O-N 2.84Å; I126-F131 HydrophobicContact CB-CB 4.01Å; I126-F131 HydrophobicContact CG2-CB 4.33Å; I126-F131 PolarHBondContact O-N 3.01Å
127K98.4Very high98.5Very high148 Ų14867.9 Ų67.964%0.64335%0.348SS*.Hα-helixtrans-67.5-43.9176.3-75.3178.5177.7179.20111.6V123 F125 H129 H130V123-K127 HydrophobicContact CG1-CD 4.1Å; V123-K127 WeakPolarHBondContact O-CB 3.29Å; V123-K127 VanDerWaalsContact O-CG 3.25Å; V123-K127 WeakPolarHBondContact O-CG 3.37Å; V123-K127 PolarHBondContact O-N 2.57Å; F125-K127 VanDerWaalsContact C-N 3.34Å; F125-K127 PolarHBondContact O-N 3.49Å; K127-H129 VanDerWaalsContact C-N 3.25Å; K127-H129 PolarHBondContact O-N 3.18Å; K127-H130 PolarHBondContact O-N 2.72Å
128L98.2Very high98.5Very high121 Ų12166.7 Ų66.763%0.63435%0.346SS*.Hα-helixtrans-60.4-36.4179.1-178.662000112S124 F125S124-L128 VanDerWaalsContact O-CB 3.29Å; S124-L128 WeakPolarHBondContact O-CB 3.32Å; S124-L128 PolarHBondContact O-N 2.85Å; F125-L128 PolarHBondContact O-N 3.3Å
129H98.1Very high98.5Very high25 Ų2568.6 Ų68.612%0.11636%0.358CS..THydrogen-bonded Turntrans-106.313.6-175.8-59.5-59.1000114.4Y76 F125 I126 K127 F131Y76-H129 HydrophobicContact CD2-CB 3.99Å; Y76-H129 AromaticContact CD2-CG 3.99Å; Y76-H129 HydrophobicContact CE2-CB 4.47Å; F125-H129 AromaticContact CD1-CD2 3.76Å; F125-H129 AromaticContact CD2-CD2 3.83Å; F125-H129 AromaticContact CD2-NE2 3.84Å; F125-H129 AromaticContact CE1-CD2 3.55Å; F125-H129 AromaticContact CE2-CD2 3.6Å; F125-H129 AromaticContact CE2-NE2 3.4Å; F125-H129 WeakPolarHBondContact CE2-NE2 3.23Å; F125-H129 AromaticContact CG-CD2 3.9Å; F125-H129 AromaticContact CZ-CD2 3.46Å; F125-H129 VanDerWaalsContact CZ-CD2 3.46Å; F125-H129 WeakPolarHBondContact CZ-CD2 3.45Å; F125-H129 AromaticContact CZ-NE2 3.6Å; F125-H129 PolarHBondContact O-CD2 3.36Å; F125-H129 VanDerWaalsContact O-CD2 3.22Å; F125-H129 PolarHBondContact O-N 3.4Å; F125-H129 VanDerWaalsContact O-N 3.1Å; I126-H129 PolarHBondContact O-N 3.28Å; K127-H129 VanDerWaalsContact C-N 3.25Å; K127-H129 PolarHBondContact O-N 3.18Å; H129-F131 VanDerWaalsContact C-N 3.31Å; H129-F131 HydrophobicContact CB-CD2 3.82Å; H129-F131 HydrophobicContact CB-CE2 3.72Å; H129-F131 PolarHBondContact O-N 2.61Å
130H97.3Very high98.4Very high139 Ų13966.6 Ų66.664%0.64435%0.349SS*.THydrogen-bonded Turntrans6030.2172.4-50.1-66.5000116M80 K83 I126 K127M80-H130 WeakPolarHBondContact CE-O 3.29Å; M80-H130 VanDerWaalsContact SD-O 3.34Å; K83-H130 PolarHBondContact NZ-O 2.63Å; I126-H130 PolarHBondContact O-N 2.84Å; K127-H130 PolarHBondContact O-N 2.72Å
131F98.6Very high98.4Very high18 Ų1866 Ų668%0.07935%0.345CS..  trans-69.4152167.8-71.3-86.5000110.8Y53 Y76 M80 V91 L93 I126 H129Y53-F131 HydrophobicContact CG-CE1 4.47Å; Y76-F131 HydrophobicContact CD1-CE2 4.38Å; Y76-F131 AromaticContact CD1-CZ 3.77Å; Y76-F131 HydrophobicContact CD1-CZ 3.77Å; Y76-F131 AromaticContact CD2-CE2 3.91Å; Y76-F131 HydrophobicContact CD2-CE2 3.91Å; Y76-F131 HydrophobicContact CD2-CZ 4.13Å; Y76-F131 HydrophobicContact CE1-CE2 4.47Å; Y76-F131 AromaticContact CE1-CZ 3.88Å; Y76-F131 HydrophobicContact CE1-CZ 3.88Å; Y76-F131 HydrophobicContact CE2-CE2 4Å; Y76-F131 HydrophobicContact CE2-CZ 4.23Å; Y76-F131 HydrophobicContact CG-CE2 4.11Å; Y76-F131 AromaticContact CG-CZ 3.9Å; Y76-F131 HydrophobicContact CG-CZ 3.9Å; M80-F131 HydrophobicContact CE-CB 4.32Å; M80-F131 HydrophobicContact CE-CD1 3.59Å; M80-F131 HydrophobicContact CE-CD2 4.15Å; M80-F131 HydrophobicContact CE-CE1 3.83Å; M80-F131 HydrophobicContact CE-CE2 4.36Å; M80-F131 HydrophobicContact CE-CG 3.75Å; M80-F131 HydrophobicContact CE-CZ 4.21Å; V91-F131 HydrophobicContact CG1-CD1 3.99Å; V91-F131 HydrophobicContact CG1-CE1 3.96Å; V91-F131 WeakPolarHBondContact O-CA 3.28Å; V91-F131 WeakPolarHBondContact O-CD1 3.47Å; L93-F131 HydrophobicContact CB-CD1 3.72Å; L93-F131 HydrophobicContact CB-CD2 4.25Å; L93-F131 HydrophobicContact CB-CE1 3.79Å; L93-F131 HydrophobicContact CB-CE2 4.3Å; L93-F131 HydrophobicContact CB-CG 3.97Å; L93-F131 HydrophobicContact CB-CZ 4.09Å; L93-F131 HydrophobicContact CD1-CE1 4.05Å; L93-F131 HydrophobicContact CD1-CE2 4.3Å; L93-F131 HydrophobicContact CD1-CZ 3.77Å; L93-F131 HydrophobicContact CD2-CD2 4.43Å; L93-F131 HydrophobicContact CD2-CE2 4.19Å; L93-F131 HydrophobicContact CD2-CZ 4.47Å; L93-F131 HydrophobicContact CG-CE1 4.45Å; L93-F131 HydrophobicContact CG-CZ 4.33Å; I126-F131 HydrophobicContact CB-CB 4.01Å; I126-F131 HydrophobicContact CG2-CB 4.33Å; I126-F131 PolarHBondContact O-N 3.01Å; H129-F131 VanDerWaalsContact C-N 3.31Å; H129-F131 HydrophobicContact CB-CD2 3.82Å; H129-F131 HydrophobicContact CB-CE2 3.72Å; H129-F131 PolarHBondContact O-N 2.61Å
132D98Very high98.4Very high92 Ų9270 Ų7049%0.49236%0.362SS..  trans-85.10171.5-56.6-85.8000111.2K83 K90 V91K83-D132 WeakPolarHBondContact CE-OD2 3.36Å; K83-D132 VanDerWaalsContact NZ-CG 3.27Å; K83-D132 IonicContact NZ-OD1 2.7Å; K83-D132 PolarHBondContact NZ-OD1 3.16Å; K83-D132 IonicContact NZ-OD2 3.15Å; K83-D132 PolarHBondContact NZ-OD2 3.22Å; K90-D132 VanDerWaalsContact CA-OD2 3.3Å; K90-D132 WeakPolarHBondContact CA-OD2 3.49Å; K90-D132 HydrophobicContact CB-CB 4.24Å; K90-D132 HydrophobicContact CD-CB 4.02Å; K90-D132 IonicContact NZ-OD1 3.74Å; V91-D132 PolarHBondContact N-OD2 3.08Å; V91-D132 PolarHBondContact O-N 3Å

Retrieved 132 of 132 residues in 1019 ms (Link to these results)

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