A0A096MYN3_PAPAN Loading...

Serine/threonine-protein kinase 17B

AlphaFold DB , UniProt , Accession A0A096MYN3, Species PAPAN (Papio anubis, Olive baboon), Gene STK17B, Length 372 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low37.4Very low246 Ų246167.5 Ų167.5100%1.21278%0.78SS**  0105.60-75.9178.417200108.3R3M1-R3 PolarHBondContact O-N 3.29Å
2S32.5Very low40.1Very low121 Ų121156.4 Ų156.485%0.84674%0.735SS**  trans-75.7111.7-175.4-165.40000109.6R4S2-R4 PolarHBondContact O-N 3.21Å; S2-R4 VanDerWaalsContact O-N 3.13Å
3R36.8Very low42.8Very low240 Ų240144.8 Ų144.891%0.90668%0.683SS**  trans-72.499.9167.7-78.7-177.9176.3176.7-1.5107.1M1 R5M1-R3 PolarHBondContact O-N 3.29Å; R3-R5 PolarHBondContact O-N 3.25Å
4R34.5Very low45.7Very low215 Ų215135.9 Ų135.981%0.81164%0.642SS**  trans-58.6109.1165.7-72.4-176.2-174-1791.9107.2S2 F6S2-R4 PolarHBondContact O-N 3.21Å; S2-R4 VanDerWaalsContact O-N 3.13Å; R4-F6 PolarHBondContact O-N 2.77Å
5R35.3Very low48.2Very low225 Ų225128 Ų12885%0.84961%0.605SS**  trans-63110.6158.1-79179.8175.1172.5-1.6105.7R3 D7R3-R5 PolarHBondContact O-N 3.25Å; R5-D7 PolarHBondContact O-N 3.31Å
6F34.2Very low49.8Very low187 Ų187128.4 Ų128.482%0.8262%0.619SS**  trans-6992.7160.5-82.2-89.1000106.4R4 C8R4-F6 PolarHBondContact O-N 2.77Å; F6-C8 PolarHBondContact O-N 2.74Å
7D32.4Very low51.3Low126 Ų126125.5 Ų125.567%0.67461%0.611SS**  trans-71.777.8164-104.4-32.6000107.7R5 R9R5-D7 PolarHBondContact O-N 3.31Å; D7-R9 PolarHBondContact O-N 3.01Å; D7-R9 VanDerWaalsContact O-N 3.16Å
8C34.2Very low52.6Low76 Ų76125.5 Ų125.551%0.51462%0.62SS.*  trans-86.657.1169.1-156.60000109.6F6 C190F6-C8 PolarHBondContact O-N 2.74Å; C8-C190 PolarHBondContact SG-SG 3.42Å
9R36.9Very low53.9Low227 Ų227120.1 Ų120.186%0.85760%0.595SS**  trans-98.310.7169.1-71.1-173.8-178.8-172.71112.4D7D7-R9 PolarHBondContact O-N 3.01Å; D7-R9 VanDerWaalsContact O-N 3.16Å
10S42Very low55.3Low91 Ų91123.2 Ų123.264%0.63661%0.608SS**SBendtrans-71.9125.6160.9170.20000107.2S12S10-S12 VanDerWaalsContact C-N 3.32Å; S10-S12 PolarHBondContact O-N 3.42Å
11I56.2Low56.8Low88 Ų88118.8 Ų118.845%0.45159%0.588SS.*  trans-63.598.1173.1-47.4173000106.8L14 E76I11-L14 HydrophobicContact CB-CD1 3.83Å; I11-L14 HydrophobicContact CB-CG 4.07Å; I11-L14 HydrophobicContact CD1-CD1 4.1Å; I11-L14 HydrophobicContact CG2-CD1 3.76Å; I11-L14 HydrophobicContact CG2-CD2 4.04Å; I11-L14 HydrophobicContact CG2-CG 3.69Å; I11-E76 WeakPolarHBondContact CD1-OE1 3.43Å; I11-E76 WeakPolarHBondContact CG2-OE1 3.12Å
12S69.8Low59.3Low35 Ų35111.6 Ų111.625%0.24556%0.559CS.*THydrogen-bonded Turntrans-71.3133.7-171.851.70000109.9S10 L192S10-S12 VanDerWaalsContact C-N 3.32Å; S10-S12 PolarHBondContact O-N 3.42Å; S12-L192 VanDerWaalsContact O-CD1 3.27Å; S12-L192 WeakPolarHBondContact O-CD1 3.13Å
13G74.9Confident62.2Low6 Ų6108 Ų1086%0.06253%0.53CS..THydrogen-bonded Turntrans91.32.3173.200000115.6K185G13-K185 WeakPolarHBondContact O-CB 3.41Å; G13-K185 PolarHBondContact O-N 3.22Å
14L83.4Confident64.9Low19 Ų1999.2 Ų99.210%0.09950%0.498CS..  trans-69.7140.9170.1-59.6-172.9000111.4I11 T16 A75 E76 H79I11-L14 HydrophobicContact CB-CD1 3.83Å; I11-L14 HydrophobicContact CB-CG 4.07Å; I11-L14 HydrophobicContact CD1-CD1 4.1Å; I11-L14 HydrophobicContact CG2-CD1 3.76Å; I11-L14 HydrophobicContact CG2-CD2 4.04Å; I11-L14 HydrophobicContact CG2-CG 3.69Å; L14-T16 PolarHBondContact O-N 2.98Å; L14-A75 HydrophobicContact CD1-CB 4.32Å; L14-E76 WeakPolarHBondContact CD2-OE2 3.38Å; L14-H79 HydrophobicContact CB-CB 4.18Å; L14-H79 HydrophobicContact CD2-CB 3.89Å; L14-H79 VanDerWaalsContact CD2-CD2 3.42Å; L14-H79 WeakPolarHBondContact CD2-CD2 3.33Å; L14-H79 HydrophobicContact CG-CB 4.43Å
15L83Confident67.8Low18 Ų1895 Ų959%0.09449%0.489CS..  trans-74.7111.6168.1-165.969.4000108.4T17 H79 A82 V83 L86 K185L15-T17 WeakPolarHBondContact CG-OG1 3.45Å; L15-H79 VanDerWaalsContact CB-ND1 3.27Å; L15-H79 WeakPolarHBondContact CB-ND1 3.27Å; L15-H79 PolarHBondContact N-CE1 3.06Å; L15-H79 PolarHBondContact N-ND1 3.13Å; L15-A82 HydrophobicContact CB-CB 4.39Å; L15-A82 HydrophobicContact CD2-CB 3.63Å; L15-A82 HydrophobicContact CG-CB 4.17Å; L15-V83 HydrophobicContact CB-CG2 4.48Å; L15-V83 HydrophobicContact CD2-CG2 4.26Å; L15-L86 HydrophobicContact CD2-CD2 4.4Å; L15-K185 HydrophobicContact CD1-CD 3.84Å
16T74.6Confident70.6Confident134 Ų13489.5 Ų89.582%0.82247%0.473SS*.  trans-92.45.5-173.653.20000114.1L14 T18L14-T16 PolarHBondContact O-N 2.98Å; T16-T18 PolarHBondContact O-N 2.95Å
17T74Confident73.4Confident79 Ų7984.8 Ų84.849%0.48546%0.457SS..PPolyproline II helixtrans-64134.1177.247.40000110.3L15 P19L15-T17 WeakPolarHBondContact CG-OG1 3.45Å; T17-P19 WeakPolarHBondContact O-CD 3.48Å
18T74.8Confident76.4Confident126 Ų12679.2 Ų79.277%0.77343%0.426SS*.PPolyproline II helixtrans-61.9127.6174.1-48.90000109.2T16 Q20T16-T18 PolarHBondContact O-N 2.95Å; T18-Q20 PolarHBondContact O-N 3.05Å
19P77.9Confident79.3Confident22 Ų2279.3 Ų79.314%0.14342%0.422CS..PPolyproline II helixtrans-55135.3176.9-29.337.5000111.8T17 M23 L78 I81 E85T17-P19 WeakPolarHBondContact O-CD 3.48Å; P19-M23 HydrophobicContact CB-CE 4.06Å; P19-M23 HydrophobicContact CG-CE 3.76Å; P19-L78 HydrophobicContact CG-CD2 4.03Å; P19-I81 HydrophobicContact CB-CG2 3.78Å; P19-I81 HydrophobicContact CG-CB 4.49Å; P19-I81 HydrophobicContact CG-CG2 4.02Å; P19-E85 WeakPolarHBondContact CA-OE2 3.29Å
20Q82.8Confident82.2Confident183 Ų18373.4 Ų73.486%0.85541%0.407SS*.SBendtrans-81.4-27.9175.5-63.8-162.6-5.900111.9T18 E85T18-Q20 PolarHBondContact O-N 3.05Å; Q20-E85 PolarHBondContact N-OE1 3.24Å; Q20-E85 PolarHBondContact N-OE2 3.3Å
21T85.8Confident84.8Confident30 Ų3073.3 Ų73.318%0.18440%0.395CS..SBendtrans-69.9122.4176-52.50000108.9M23 E85 V99T21-M23 PolarHBondContact O-N 3.05Å; T21-E85 WeakPolarHBondContact CA-OE1 3.49Å; T21-E85 WeakPolarHBondContact CB-OE1 3.45Å; T21-E85 PolarHBondContact N-OE1 3.1Å; T21-E85 PolarHBondContact OG1-OE1 3.47Å; T21-V99 HydrophobicContact CG2-CB 4.47Å; T21-V99 HydrophobicContact CG2-CG2 4.04Å
22P89.9Confident86.8Confident95 Ų9569.4 Ų69.462%0.61738%0.375SS*.  trans-65.5131179.426.7-33.3000110.2K24P22-K24 PolarHBondContact O-N 3.13Å
23M92.1Very high88.2Confident47 Ų4772.8 Ų72.823%0.23239%0.388CS..EExtended strand (participates in β ladder)trans-79.5108.8171.6-66.7171.7-151.500109.1P19 T21 L78 I81 V99P19-M23 HydrophobicContact CB-CE 4.06Å; P19-M23 HydrophobicContact CG-CE 3.76Å; T21-M23 PolarHBondContact O-N 3.05Å; M23-L78 HydrophobicContact CE-CD2 3.12Å; M23-L78 HydrophobicContact SD-CD2 4.12Å; M23-I81 HydrophobicContact CE-CD1 4.47Å; M23-V99 HydrophobicContact CG-CB 4.43Å; M23-V99 HydrophobicContact CG-CG1 3.91Å
24K95.2Very high89.3Confident54 Ų5475.3 Ų75.324%0.23540%0.4CS..EExtended strand (participates in β ladder)trans-75.6129.9178.3-64.4-179-174.4-179.70110.1P22 E26 E98 V99 Y100 E101P22-K24 PolarHBondContact O-N 3.13Å; K24-E26 WeakPolarHBondContact CB-OE2 3.17Å; K24-E98 IonicContact NZ-OE1 3.59Å; K24-E98 PolarHBondContact NZ-OE1 2.92Å; K24-E98 IonicContact NZ-OE2 2.76Å; K24-E98 PolarHBondContact NZ-OE2 3.39Å; K24-V99 PolarHBondContact N-O 3.41Å; K24-Y100 HydrophobicContact CB-CD1 3.62Å; K24-Y100 HydrophobicContact CB-CE1 3.71Å; K24-Y100 HydrophobicContact CB-CG 4.22Å; K24-Y100 HydrophobicContact CD-CD1 4.43Å; K24-Y100 HydrophobicContact CD-CE1 3.76Å; K24-Y100 HydrophobicContact CD-CE2 4.24Å; K24-Y100 HydrophobicContact CG-CE1 4.4Å; K24-Y100 CarbonylContact O-C 3.57Å; K24-Y100 VanDerWaalsContact O-CA 3.32Å; K24-Y100 WeakPolarHBondContact O-CA 3.47Å; K24-E101 PolarHBondContact O-N 3.45Å
25M94.6Very high89.9Confident128 Ų12875.9 Ų75.963%0.63140%0.404SS*.  trans-98.7-8.9179.9-64-69.4172.500112.1E101M25-E101 HydrophobicContact CE-CB 4.01Å; M25-E101 HydrophobicContact CE-CG 4.23Å; M25-E101 HydrophobicContact SD-CB 3.98Å; M25-E101 HydrophobicContact SD-CG 4.33Å
26E94.8Very high90.4Very high108 Ų10880.9 Ų80.951%0.50544%0.441SS..SBendtrans-62.8155.9171.5-59.587170.600110.9K24 F28 F31 Y100K24-E26 WeakPolarHBondContact CB-OE2 3.17Å; E26-F28 PolarHBondContact O-N 3.4Å; E26-F28 VanDerWaalsContact O-N 3.08Å; E26-F31 HydrophobicContact CB-CE2 3.92Å; E26-Y100 WeakPolarHBondContact O-CD1 3.24Å
27N92.5Very high91.4Very high89 Ų8979.2 Ų79.248%0.47642%0.422SS..  trans-64116.6176.8-167.9-23.8000110.2N29 N30N27-N29 PolarHBondContact O-N 2.83Å; N27-N29 VanDerWaalsContact O-N 3.1Å; N27-N29 WeakPolarHBondContact OD1-CB 3.21Å; N27-N29 PolarHBondContact OD1-N 3.43Å; N27-N29 PolarHBondContact OD1-ND2 3.22Å; N27-N30 VanDerWaalsContact O-CB 3.22Å; N27-N30 WeakPolarHBondContact O-CB 3.32Å; N27-N30 PolarHBondContact O-N 3.45Å
28F95.2Very high92.5Very high8 Ų878.7 Ų78.74%0.03541%0.414CS..G310 helixtrans-47.2-37.8174.6161.7-101.4000112.9E26 N30 F31 Y32 L34 C50 A61 F63 Y100 I107 I109E26-F28 PolarHBondContact O-N 3.4Å; E26-F28 VanDerWaalsContact O-N 3.08Å; F28-N30 PolarHBondContact O-N 3.17Å; F28-F31 PolarHBondContact O-N 2.9Å; F28-Y32 AromaticContact CD2-CD2 3.52Å; F28-Y32 HydrophobicContact CD2-CD2 3.52Å; F28-Y32 HydrophobicContact CD2-CE2 4.35Å; F28-Y32 HydrophobicContact CD2-CG 4.03Å; F28-Y32 HydrophobicContact CE2-CD1 4.23Å; F28-Y32 AromaticContact CE2-CD2 3.27Å; F28-Y32 HydrophobicContact CE2-CD2 3.27Å; F28-Y32 HydrophobicContact CE2-CE2 4.17Å; F28-Y32 AromaticContact CE2-CG 3.32Å; F28-Y32 HydrophobicContact CE2-CG 3.32Å; F28-Y32 HydrophobicContact CZ-CD2 4.24Å; F28-Y32 AromaticContact CZ-CG 3.88Å; F28-Y32 HydrophobicContact CZ-CG 3.88Å; F28-Y32 PolarHBondContact O-N 3.35Å; F28-Y32 VanDerWaalsContact O-N 3.08Å; F28-L34 HydrophobicContact CE1-CD1 4.44Å; F28-L34 HydrophobicContact CE1-CD2 4.07Å; F28-L34 HydrophobicContact CE1-CG 4.04Å; F28-L34 HydrophobicContact CZ-CD2 4.34Å; F28-C50 HydrophobicContact CZ-CB 4.04Å; F28-A61 HydrophobicContact CZ-CB 4.08Å; F28-F63 HydrophobicContact CE1-CZ 4.18Å; F28-Y100 HydrophobicContact CB-CD1 3.97Å; F28-Y100 HydrophobicContact CB-CD2 4.42Å; F28-Y100 HydrophobicContact CB-CE1 4.4Å; F28-Y100 HydrophobicContact CB-CG 3.98Å; F28-Y100 AromaticContact CD2-CD2 3.88Å; F28-Y100 HydrophobicContact CD2-CD2 3.88Å; F28-Y100 AromaticContact CD2-CE2 3.98Å; F28-Y100 HydrophobicContact CD2-CE2 3.98Å; F28-Y100 HydrophobicContact CD2-CG 4.3Å; F28-I107 HydrophobicContact CB-CD1 4Å; F28-I107 HydrophobicContact CD1-CD1 4.4Å; F28-I107 HydrophobicContact CG-CD1 4.2Å; F28-I109 HydrophobicContact CD2-CD1 3.77Å; F28-I109 HydrophobicContact CE2-CD1 3.24Å; F28-I109 HydrophobicContact CE2-CG1 4.22Å; F28-I109 HydrophobicContact CZ-CD1 4.09Å
29N95.5Very high93.4Very high79 Ų7975.2 Ų75.242%0.42239%0.391SS..G310 helixtrans-64.4-12.9179.3-65.5-39.1000113.6N27 F31 K53N27-N29 PolarHBondContact O-N 2.83Å; N27-N29 VanDerWaalsContact O-N 3.1Å; N27-N29 WeakPolarHBondContact OD1-CB 3.21Å; N27-N29 PolarHBondContact OD1-N 3.43Å; N27-N29 PolarHBondContact OD1-ND2 3.22Å; N29-F31 VanDerWaalsContact C-N 3.31Å; N29-K53 WeakPolarHBondContact O-CE 3.41Å; N29-K53 PolarHBondContact O-NZ 3.06Å
30N96.7Very high94Very high102 Ų10275.4 Ų75.455%0.54540%0.397SS..G310 helixtrans-71-30.3173.1-66.7-12000111.6N27 F28N27-N30 VanDerWaalsContact O-CB 3.22Å; N27-N30 WeakPolarHBondContact O-CB 3.32Å; N27-N30 PolarHBondContact O-N 3.45Å; F28-N30 PolarHBondContact O-N 3.17Å
31F97.8Very high94.4Very high89 Ų8974.1 Ų74.139%0.3938%0.384SS..THydrogen-bonded Turntrans-110-26.7-171.6-56.8-75.1000113.4E26 F28 N29 K53 Y100E26-F31 HydrophobicContact CB-CE2 3.92Å; F28-F31 PolarHBondContact O-N 2.9Å; N29-F31 VanDerWaalsContact C-N 3.31Å; F31-K53 WeakPolarHBondContact O-CB 3.11Å; F31-K53 WeakPolarHBondContact O-CG 3.33Å; F31-K53 PolarHBondContact O-N 2.81Å; F31-Y100 AromaticContact CD2-CE1 3.85Å; F31-Y100 HydrophobicContact CD2-CE1 3.85Å; F31-Y100 AromaticContact CD2-CZ 3.95Å; F31-Y100 VanDerWaalsContact CD2-OH 3.22Å; F31-Y100 WeakPolarHBondContact CD2-OH 3.26Å; F31-Y100 HydrophobicContact CE2-CE1 4.25Å
32Y98.4Very high94.2Very high6 Ų675 Ų752%0.02440%0.398CS..EExtended strand (participates in β ladder)trans-126152.4-177.3-64.8-91000111.5F28 I51 K53 Y59 H97 E98 Y100 I109F28-Y32 AromaticContact CD2-CD2 3.52Å; F28-Y32 HydrophobicContact CD2-CD2 3.52Å; F28-Y32 HydrophobicContact CD2-CE2 4.35Å; F28-Y32 HydrophobicContact CD2-CG 4.03Å; F28-Y32 HydrophobicContact CE2-CD1 4.23Å; F28-Y32 AromaticContact CE2-CD2 3.27Å; F28-Y32 HydrophobicContact CE2-CD2 3.27Å; F28-Y32 HydrophobicContact CE2-CE2 4.17Å; F28-Y32 AromaticContact CE2-CG 3.32Å; F28-Y32 HydrophobicContact CE2-CG 3.32Å; F28-Y32 HydrophobicContact CZ-CD2 4.24Å; F28-Y32 AromaticContact CZ-CG 3.88Å; F28-Y32 HydrophobicContact CZ-CG 3.88Å; F28-Y32 PolarHBondContact O-N 3.35Å; F28-Y32 VanDerWaalsContact O-N 3.08Å; Y32-I51 CarbonylContact C-O 3.59Å; Y32-I51 WeakPolarHBondContact CA-O 3.14Å; Y32-K53 WeakPolarHBondContact O-CE 3.49Å; Y32-Y59 HydrophobicContact CD1-CD2 4.37Å; Y32-Y59 AromaticContact CE1-CD2 3.68Å; Y32-Y59 HydrophobicContact CE1-CD2 3.68Å; Y32-Y59 HydrophobicContact CE1-CE2 4.01Å; Y32-Y59 HydrophobicContact CE1-CG 4.39Å; Y32-H97 PolarHBondContact OH-CD2 2.89Å; Y32-H97 VanDerWaalsContact OH-CD2 3.27Å; Y32-H97 PolarHBondContact OH-NE2 3.27Å; Y32-E98 PolarHBondContact OH-OE2 3.25Å; Y32-Y100 HydrophobicContact CD2-CE2 4.25Å; Y32-Y100 AromaticContact CE2-CE2 3.8Å; Y32-Y100 HydrophobicContact CE2-CE2 3.8Å; Y32-I109 HydrophobicContact CE1-CG2 4.01Å; Y32-I109 HydrophobicContact CE2-CG1 4.36Å
33M98.1Very high93.6Very high107 Ų10777.7 Ų77.753%0.52740%0.401SS..EExtended strand (participates in β ladder)trans-115.8120.6172.7175.6166.945.700108.7C50 I51 K53M33-C50 CarbonylContact O-C 3.56Å; M33-C50 VanDerWaalsContact O-CA 3.25Å; M33-C50 WeakPolarHBondContact O-CA 3.38Å; M33-I51 PolarHBondContact N-O 3.11Å; M33-I51 PolarHBondContact O-N 3.12Å; M33-K53 HydrophobicContact CB-CG 4.44Å
34L97.8Very high93.1Very high59 Ų5978.2 Ų78.231%0.30940%0.402SS..EExtended strand (participates in β ladder)trans-71.6135.9174.1-69.9167.1000109.9F28 R48 C50 A61 F63F28-L34 HydrophobicContact CE1-CD1 4.44Å; F28-L34 HydrophobicContact CE1-CD2 4.07Å; F28-L34 HydrophobicContact CE1-CG 4.04Å; F28-L34 HydrophobicContact CZ-CD2 4.34Å; L34-R48 HydrophobicContact CD2-CB 3.89Å; L34-C50 HydrophobicContact CD2-CB 3.96Å; L34-A61 HydrophobicContact CD2-CB 4.32Å; L34-F63 HydrophobicContact CD1-CZ 3.98Å; L34-F63 HydrophobicContact CD2-CE2 3.96Å; L34-F63 HydrophobicContact CD2-CZ 3.84Å; L34-F63 HydrophobicContact CG-CZ 4.49Å
35T97.2Very high93Very high30 Ų3076.5 Ų76.518%0.18440%0.398CS..EExtended strand (participates in β ladder)trans-85.7173.2171.281.80000110K37 Q49 I51T35-K37 PolarHBondContact O-N 3.25Å; T35-K37 WeakPolarHBondContact OG1-CB 3.43Å; T35-K37 PolarHBondContact OG1-N 3.25Å; T35-K37 VanDerWaalsContact OG1-N 3.12Å; T35-Q49 HydrophobicContact CG2-CB 4.36Å; T35-Q49 HydrophobicContact CG2-CG 4.12Å; T35-Q49 PolarHBondContact N-O 2.98Å; T35-Q49 WeakPolarHBondContact OG1-CB 3.33Å; T35-Q49 PolarHBondContact OG1-OE1 3.49Å; T35-I51 HydrophobicContact CG2-CD1 3.84Å; T35-I51 HydrophobicContact CG2-CG1 3.86Å
36S93.6Very high93Very high124 Ų12471.9 Ų71.987%0.86738%0.376SS*.EExtended strand (participates in β ladder)trans-72-12.4171.7520000113.1E38S36-E38 PolarHBondContact O-N 3.15Å
37K94.6Very high93.2Very high98 Ų9868.3 Ų68.343%0.42636%0.362SS..EExtended strand (participates in β ladder)trans-80.2104.9-175.7-166.3-179.1-179.5-176.70110.6T35 L39 Q49 Y112T35-K37 PolarHBondContact O-N 3.25Å; T35-K37 WeakPolarHBondContact OG1-CB 3.43Å; T35-K37 PolarHBondContact OG1-N 3.25Å; T35-K37 VanDerWaalsContact OG1-N 3.12Å; K37-L39 HydrophobicContact CD-CD2 3.83Å; K37-L39 HydrophobicContact CG-CD2 3.95Å; K37-Q49 HydrophobicContact CB-CB 4.27Å; K37-Q49 PolarHBondContact O-N 3.3Å; K37-Q49 VanDerWaalsContact O-N 3.08Å; K37-Y112 PolarHBondContact NZ-OH 3.1Å
38E96.4Very high93.4Very high68 Ų6868 Ų6832%0.31835%0.354SS..EExtended strand (participates in β ladder)trans-79123.5165-170.2159.7123.200109S36 R41 V46 R48S36-E38 PolarHBondContact O-N 3.15Å; E38-R41 IonicContact OE1-CZ 2.89Å; E38-R41 IonicContact OE1-NE 3.21Å; E38-R41 PolarHBondContact OE1-NE 3.21Å; E38-R41 IonicContact OE1-NH2 2.88Å; E38-R41 PolarHBondContact OE1-NH2 3.23Å; E38-R41 IonicContact OE2-CZ 2.74Å; E38-R41 IonicContact OE2-NH2 3.88Å; E38-R41 PolarHBondContact OE2-NH2 2.93Å; E38-V46 HydrophobicContact CG-CG1 4.33Å; E38-R48 HydrophobicContact CG-CG 4.43Å; E38-R48 IonicContact OE2-CZ 3.35Å; E38-R48 IonicContact OE2-NE 3.2Å; E38-R48 PolarHBondContact OE2-NE 3.1Å; E38-R48 IonicContact OE2-NH2 3.75Å; E38-R48 PolarHBondContact OE2-NH2 3.08Å
39L94.3Very high93.6Very high53 Ų5368.4 Ų68.428%0.27736%0.356SS..EExtended strand (participates in β ladder)trans-90-28.1-176.6-60.2177.6000111.6K37 V47 Q49 A60 Y112K37-L39 HydrophobicContact CD-CD2 3.83Å; K37-L39 HydrophobicContact CG-CD2 3.95Å; L39-V47 HydrophobicContact CB-CB 4.26Å; L39-V47 HydrophobicContact CB-CG1 4.02Å; L39-V47 HydrophobicContact CD1-CG1 4.19Å; L39-V47 PolarHBondContact N-O 3.38Å; L39-Q49 HydrophobicContact CD1-CB 4.08Å; L39-Q49 HydrophobicContact CD2-CB 4.26Å; L39-Q49 HydrophobicContact CG-CB 4.19Å; L39-A60 HydrophobicContact CD1-CB 3.84Å; L39-Y112 HydrophobicContact CD1-CD2 3.88Å; L39-Y112 HydrophobicContact CD1-CE2 3.72Å; L39-Y112 HydrophobicContact CD2-CE2 3.8Å; L39-Y112 HydrophobicContact CG-CE2 4.43Å
40G91.5Very high93.7Very high26 Ų2664.7 Ų64.727%0.26834%0.336SS..EExtended strand (participates in β ladder)trans-176.1156178.300000112.5V47G40-V47 PolarHBondContact N-O 2.7Å; G40-V47 PolarHBondContact O-N 2.94Å
41R90.9Very high93.8Very high157 Ų15761.9 Ų61.959%0.59232%0.321SS*.EExtended strand (participates in β ladder)trans-139.2112.3178.6179.2177-64.2-89.9-1.2110.5E38 V46E38-R41 IonicContact OE1-CZ 2.89Å; E38-R41 IonicContact OE1-NE 3.21Å; E38-R41 PolarHBondContact OE1-NE 3.21Å; E38-R41 IonicContact OE1-NH2 2.88Å; E38-R41 PolarHBondContact OE1-NH2 3.23Å; E38-R41 IonicContact OE2-CZ 2.74Å; E38-R41 IonicContact OE2-NH2 3.88Å; E38-R41 PolarHBondContact OE2-NH2 2.93Å; R41-V46 HydrophobicContact CG-CG2 4.42Å
42G81.9Confident93.9Very high47 Ų4758 Ų5849%0.48531%0.305SS..  trans-96178.6168.600000112F44 A45G42-F44 PolarHBondContact O-N 3.49Å; G42-A45 PolarHBondContact N-O 2.94Å
43K77.6Confident93.9Very high153 Ų15363.5 Ų63.567%0.66533%0.329SS*.SBendtrans-61.1-30177.5-170.4170.5-173.5163.10113.5
44F81Confident93.8Very high58 Ų5863.6 Ų63.625%0.25434%0.34SS..SBendtrans-132.33.5-173.1-52.4-66.5000114.3G42 K65 R68 R69G42-F44 PolarHBondContact O-N 3.49Å; F44-K65 PolarHBondContact O-N 3.1Å; F44-R68 HydrophobicContact CB-CG 4.1Å; F44-R68 HydrophobicContact CD1-CB 3.8Å; F44-R68 HydrophobicContact CD1-CG 3.76Å; F44-R68 HydrophobicContact CE1-CB 3.84Å; F44-R68 HydrophobicContact CE1-CG 4.32Å; F44-R68 HydrophobicContact CG-CB 4.31Å; F44-R68 HydrophobicContact CG-CG 3.94Å; F44-R68 HydrophobicContact CZ-CB 4.36Å; F44-R69 HydrophobicContact CE1-CG 4.24Å; F44-R69 HydrophobicContact CZ-CG 4.18Å
45A92.5Very high93.8Very high18 Ų1865.5 Ų65.515%0.14935%0.354CS..EExtended strand (participates in β ladder)trans-138.5143.9-17800000110G42 F63 L64G42-A45 PolarHBondContact N-O 2.94Å; A45-F63 VanDerWaalsContact CA-O 3.25Å; A45-F63 WeakPolarHBondContact CA-O 3.49Å; A45-L64 HydrophobicContact CB-CD2 3.78Å
46V95.8Very high93.9Very high30 Ų3066.4 Ų66.418%0.18237%0.37CS..EExtended strand (participates in β ladder)trans-124.4135.2167.8-177.10000107.1E38 R41 R48 F63E38-V46 HydrophobicContact CG-CG1 4.33Å; R41-V46 HydrophobicContact CG-CG2 4.42Å; V46-R48 HydrophobicContact CG1-CG 4.13Å; V46-F63 PolarHBondContact N-O 2.6Å; V46-F63 WeakPolarHBondContact O-CD2 3.38Å; V46-F63 PolarHBondContact O-N 3.07Å
47V97.6Very high94.1Very high34 Ų3465.5 Ų65.521%0.20635%0.352CS..EExtended strand (participates in β ladder)trans-113.2125.6176.8-168.30000108.4L39 G40 A60 A61 K62L39-V47 HydrophobicContact CB-CB 4.26Å; L39-V47 HydrophobicContact CB-CG1 4.02Å; L39-V47 HydrophobicContact CD1-CG1 4.19Å; L39-V47 PolarHBondContact N-O 3.38Å; G40-V47 PolarHBondContact N-O 2.7Å; G40-V47 PolarHBondContact O-N 2.94Å; V47-A60 HydrophobicContact CG1-CB 4.11Å; V47-A61 WeakPolarHBondContact CA-O 3.34Å; V47-K62 HydrophobicContact CG2-CB 4.26Å; V47-K62 HydrophobicContact CG2-CG 4.02Å
48R98.1Very high94.3Very high82 Ų8264.5 Ų64.531%0.30935%0.348SS..EExtended strand (participates in β ladder)trans-129.8146.2178.1-69.3-170.9161.2-144.7-9.8110.7L34 E38 V46 A61 F63L34-R48 HydrophobicContact CD2-CB 3.89Å; E38-R48 HydrophobicContact CG-CG 4.43Å; E38-R48 IonicContact OE2-CZ 3.35Å; E38-R48 IonicContact OE2-NE 3.2Å; E38-R48 PolarHBondContact OE2-NE 3.1Å; E38-R48 IonicContact OE2-NH2 3.75Å; E38-R48 PolarHBondContact OE2-NH2 3.08Å; V46-R48 HydrophobicContact CG1-CG 4.13Å; R48-A61 PolarHBondContact N-O 3.22Å; R48-A61 PolarHBondContact O-N 2.92Å; R48-F63 HydrophobicContact CB-CE2 4.38Å
49Q98.4Very high94.4Very high17 Ų1762.9 Ų62.98%0.07934%0.34CS..EExtended strand (participates in β ladder)trans-70140.2170-173.4-166.627.800109.1T35 K37 L39 E58 Y59 Y112T35-Q49 HydrophobicContact CG2-CB 4.36Å; T35-Q49 HydrophobicContact CG2-CG 4.12Å; T35-Q49 PolarHBondContact N-O 2.98Å; T35-Q49 WeakPolarHBondContact OG1-CB 3.33Å; T35-Q49 PolarHBondContact OG1-OE1 3.49Å; K37-Q49 HydrophobicContact CB-CB 4.27Å; K37-Q49 PolarHBondContact O-N 3.3Å; K37-Q49 VanDerWaalsContact O-N 3.08Å; L39-Q49 HydrophobicContact CD1-CB 4.08Å; L39-Q49 HydrophobicContact CD2-CB 4.26Å; L39-Q49 HydrophobicContact CG-CB 4.19Å; Q49-E58 PolarHBondContact NE2-OE1 3.29Å; Q49-E58 PolarHBondContact NE2-OE2 3.19Å; Q49-Y59 WeakPolarHBondContact CA-O 3.23Å; Q49-Y112 HydrophobicContact CG-CE2 4.33Å
50C98.6Very high94.6Very high0 Ų060.8 Ų60.80%033%0.33CS..EExtended strand (participates in β ladder)trans-138.6156.2174.970.10000110.9F28 M33 L34 E58 Y59 A61F28-C50 HydrophobicContact CZ-CB 4.04Å; M33-C50 CarbonylContact O-C 3.56Å; M33-C50 VanDerWaalsContact O-CA 3.25Å; M33-C50 WeakPolarHBondContact O-CA 3.38Å; L34-C50 HydrophobicContact CD2-CB 3.96Å; C50-E58 WeakPolarHBondContact O-CA 3.35Å; C50-Y59 PolarHBondContact N-O 3.5Å; C50-Y59 PolarHBondContact O-N 3.44Å; C50-A61 HydrophobicContact CB-CB 4.37Å
51I98.6Very high94.9Very high44 Ų4459.6 Ų59.623%0.22632%0.317CS..EExtended strand (participates in β ladder)trans-120.8128.2-178-56.7176.3000108.2Y32 M33 T35 K53 Q57 E58Y32-I51 CarbonylContact C-O 3.59Å; Y32-I51 WeakPolarHBondContact CA-O 3.14Å; M33-I51 PolarHBondContact N-O 3.11Å; M33-I51 PolarHBondContact O-N 3.12Å; T35-I51 HydrophobicContact CG2-CD1 3.84Å; T35-I51 HydrophobicContact CG2-CG1 3.86Å; I51-K53 PolarHBondContact O-N 3.23Å; I51-Q57 WeakPolarHBondContact CA-O 3.44Å; I51-E58 HydrophobicContact CG1-CG 4.42Å
52S98.4Very high95.2Very high7 Ų752.8 Ų52.85%0.04929%0.292CS..EExtended strand (participates in β ladder)trans-64.6123.7172.5172.10000109.9S54 T55 G56 Q57S52-S54 VanDerWaalsContact C-N 3.26Å; S52-S54 PolarHBondContact O-N 3.4Å; S52-S54 PolarHBondContact OG-OG 3.04Å; S52-T55 WeakPolarHBondContact CB-OG1 3.49Å; S52-T55 PolarHBondContact OG-OG1 2.79Å; S52-G56 WeakPolarHBondContact O-CA 3.26Å; S52-G56 PolarHBondContact O-N 3.24Å; S52-Q57 PolarHBondContact N-O 3.02Å
53K98.3Very high96Very high122 Ų12252 Ų5253%0.5328%0.276SS..THydrogen-bonded Turntrans-67.7-26.7-178-69.7178.1173-178.60113.2N29 F31 Y32 M33 I51N29-K53 WeakPolarHBondContact O-CE 3.41Å; N29-K53 PolarHBondContact O-NZ 3.06Å; F31-K53 WeakPolarHBondContact O-CB 3.11Å; F31-K53 WeakPolarHBondContact O-CG 3.33Å; F31-K53 PolarHBondContact O-N 2.81Å; Y32-K53 WeakPolarHBondContact O-CE 3.49Å; M33-K53 HydrophobicContact CB-CG 4.44Å; I51-K53 PolarHBondContact O-N 3.23Å
54S97.6Very high96.8Very high108 Ų10844.9 Ų44.976%0.75525%0.245SC*.THydrogen-bonded Turntrans-85.6-33.5-178.250.50000113.1S52S52-S54 VanDerWaalsContact C-N 3.26Å; S52-S54 PolarHBondContact O-N 3.4Å; S52-S54 PolarHBondContact OG-OG 3.04Å
55T97.8Very high97.5Very high99 Ų9947.4 Ų47.461%0.60726%0.256SS*.THydrogen-bonded Turntrans-113.5-19.1-172.461.50000113.9S52 Q57S52-T55 WeakPolarHBondContact CB-OG1 3.49Å; S52-T55 PolarHBondContact OG-OG1 2.79Å; T55-Q57 PolarHBondContact O-N 3.48Å; T55-Q57 WeakPolarHBondContact OG1-CB 3.36Å; T55-Q57 PolarHBondContact OG1-N 2.84Å
56G97.8Very high97.5Very high50 Ų5048 Ų4852%0.51526%0.255SS..  trans73.90.8-170.100000114.1S52S52-G56 WeakPolarHBondContact O-CA 3.26Å; S52-G56 PolarHBondContact O-N 3.24Å
57Q98.1Very high97.3Very high105 Ų10555.9 Ų55.949%0.49128%0.281SS..  trans-69136.8-179.8-179.460.455.900111.4I51 S52 T55 Y59I51-Q57 WeakPolarHBondContact CA-O 3.44Å; S52-Q57 PolarHBondContact N-O 3.02Å; T55-Q57 PolarHBondContact O-N 3.48Å; T55-Q57 WeakPolarHBondContact OG1-CB 3.36Å; T55-Q57 PolarHBondContact OG1-N 2.84Å; Q57-Y59 HydrophobicContact CB-CE2 3.7Å; Q57-Y59 HydrophobicContact CG-CD2 4.23Å; Q57-Y59 HydrophobicContact CG-CE1 4.28Å; Q57-Y59 HydrophobicContact CG-CE2 3.48Å; Q57-Y59 VanDerWaalsContact CG-CE2 3.48Å; Q57-Y59 WeakPolarHBondContact O-CD2 3.48Å
58E98.3Very high96.8Very high76 Ų7656.6 Ų56.636%0.35528%0.28SS..EExtended strand (participates in β ladder)trans-84.1141.8175.9-56-167.8152.100111.9Q49 C50 I51 Y112Q49-E58 PolarHBondContact NE2-OE1 3.29Å; Q49-E58 PolarHBondContact NE2-OE2 3.19Å; C50-E58 WeakPolarHBondContact O-CA 3.35Å; I51-E58 HydrophobicContact CG1-CG 4.42Å; E58-Y112 HydrophobicContact CB-CD1 3.92Å; E58-Y112 HydrophobicContact CB-CG 4.49Å; E58-Y112 WeakPolarHBondContact OE2-CD1 3.4Å; E58-Y112 WeakPolarHBondContact OE2-CE1 3.43Å
59Y98.6Very high96Very high34 Ų3461.4 Ų61.413%0.13330%0.299CS..EExtended strand (participates in β ladder)trans-142.4164.6178.9-65.4-83.2000111.1Y32 Q49 C50 Q57 H97 I109 L110Y32-Y59 HydrophobicContact CD1-CD2 4.37Å; Y32-Y59 AromaticContact CE1-CD2 3.68Å; Y32-Y59 HydrophobicContact CE1-CD2 3.68Å; Y32-Y59 HydrophobicContact CE1-CE2 4.01Å; Y32-Y59 HydrophobicContact CE1-CG 4.39Å; Q49-Y59 WeakPolarHBondContact CA-O 3.23Å; C50-Y59 PolarHBondContact N-O 3.5Å; C50-Y59 PolarHBondContact O-N 3.44Å; Q57-Y59 HydrophobicContact CB-CE2 3.7Å; Q57-Y59 HydrophobicContact CG-CD2 4.23Å; Q57-Y59 HydrophobicContact CG-CE1 4.28Å; Q57-Y59 HydrophobicContact CG-CE2 3.48Å; Q57-Y59 VanDerWaalsContact CG-CE2 3.48Å; Q57-Y59 WeakPolarHBondContact O-CD2 3.48Å; Y59-H97 HydrophobicContact CD1-CB 4.2Å; Y59-H97 HydrophobicContact CE1-CB 3.89Å; Y59-H97 AromaticContact CE1-CD2 3.4Å; Y59-H97 VanDerWaalsContact CE1-CD2 3.4Å; Y59-H97 WeakPolarHBondContact CE1-CD2 3.49Å; Y59-H97 AromaticContact CE1-CG 3.58Å; Y59-H97 AromaticContact CZ-CD2 3.48Å; Y59-H97 VanDerWaalsContact CZ-CD2 3.48Å; Y59-H97 AromaticContact CZ-NE2 3.64Å; Y59-H97 PolarHBondContact OH-NE2 2.9Å; Y59-I109 HydrophobicContact CD1-CG2 3.93Å; Y59-I109 HydrophobicContact CD2-CG2 4.42Å; Y59-I109 HydrophobicContact CG-CG2 3.77Å; Y59-L110 WeakPolarHBondContact CA-O 3.43Å; Y59-L110 WeakPolarHBondContact CB-O 3.24Å; Y59-L110 WeakPolarHBondContact CD1-O 3.48Å
60A98.6Very high95.3Very high10 Ų1064.3 Ų64.38%0.08333%0.333CS..EExtended strand (participates in β ladder)trans-102.2125.3167.400000110.3L39 V47 L110L39-A60 HydrophobicContact CD1-CB 3.84Å; V47-A60 HydrophobicContact CG1-CB 4.11Å; A60-L110 HydrophobicContact CB-CB 4.37Å; A60-L110 PolarHBondContact N-O 3.49Å; A60-L110 PolarHBondContact O-N 3.45Å
61A98.4Very high94.8Very high0 Ų071 Ų710%036%0.364CS..EExtended strand (participates in β ladder)trans-99.5110.7174.100000110F28 L34 V47 R48 C50 F63 I107 L108 I109F28-A61 HydrophobicContact CZ-CB 4.08Å; L34-A61 HydrophobicContact CD2-CB 4.32Å; V47-A61 WeakPolarHBondContact CA-O 3.34Å; R48-A61 PolarHBondContact N-O 3.22Å; R48-A61 PolarHBondContact O-N 2.92Å; C50-A61 HydrophobicContact CB-CB 4.37Å; A61-F63 HydrophobicContact CB-CD2 4.39Å; A61-F63 HydrophobicContact CB-CE2 3.6Å; A61-F63 HydrophobicContact CB-CZ 4.03Å; A61-F63 WeakPolarHBondContact O-CD2 3.29Å; A61-F63 WeakPolarHBondContact O-CE2 3.36Å; A61-I107 HydrophobicContact CB-CG2 4.15Å; A61-L108 WeakPolarHBondContact CA-O 3.3Å; A61-I109 HydrophobicContact CB-CD1 4.04Å
62K97.9Very high94.4Very high14 Ų1474.1 Ų74.16%0.06138%0.381CS..EExtended strand (participates in β ladder)trans-95.6108.3175.7-174.6177.3-166.8-1730109.7V47 L64 E80 I107 L108 L110 D179V47-K62 HydrophobicContact CG2-CB 4.26Å; V47-K62 HydrophobicContact CG2-CG 4.02Å; K62-L64 HydrophobicContact CD-CD2 4.28Å; K62-L64 HydrophobicContact CG-CD2 4.16Å; K62-L64 HydrophobicContact CG-CG 4.17Å; K62-E80 IonicContact NZ-OE1 3.61Å; K62-E80 PolarHBondContact NZ-OE1 3.17Å; K62-E80 IonicContact NZ-OE2 3.11Å; K62-I107 WeakPolarHBondContact O-CA 3.35Å; K62-L108 HydrophobicContact CB-CB 4.31Å; K62-L108 PolarHBondContact N-O 3.26Å; K62-L108 PolarHBondContact O-N 3.43Å; K62-L110 HydrophobicContact CB-CD1 4.16Å; K62-L110 HydrophobicContact CD-CD1 4.42Å; K62-D179 IonicContact NZ-OD1 2.91Å; K62-D179 PolarHBondContact NZ-OD1 3.4Å; K62-D179 IonicContact NZ-OD2 2.72Å
63F97.4Very high94Very high32 Ų3274.5 Ų74.514%0.1438%0.384CS..EExtended strand (participates in β ladder)trans-88.5110.1-179.7-63.7-98.8000110.1F28 L34 A45 V46 R48 A61 I107F28-F63 HydrophobicContact CE1-CZ 4.18Å; L34-F63 HydrophobicContact CD1-CZ 3.98Å; L34-F63 HydrophobicContact CD2-CE2 3.96Å; L34-F63 HydrophobicContact CD2-CZ 3.84Å; L34-F63 HydrophobicContact CG-CZ 4.49Å; A45-F63 VanDerWaalsContact CA-O 3.25Å; A45-F63 WeakPolarHBondContact CA-O 3.49Å; V46-F63 PolarHBondContact N-O 2.6Å; V46-F63 WeakPolarHBondContact O-CD2 3.38Å; V46-F63 PolarHBondContact O-N 3.07Å; R48-F63 HydrophobicContact CB-CE2 4.38Å; A61-F63 HydrophobicContact CB-CD2 4.39Å; A61-F63 HydrophobicContact CB-CE2 3.6Å; A61-F63 HydrophobicContact CB-CZ 4.03Å; A61-F63 WeakPolarHBondContact O-CD2 3.29Å; A61-F63 WeakPolarHBondContact O-CE2 3.36Å; F63-I107 HydrophobicContact CD1-CD1 3.89Å; F63-I107 HydrophobicContact CD1-CG1 3.73Å; F63-I107 HydrophobicContact CD1-CG2 4.1Å; F63-I107 HydrophobicContact CE1-CD1 3.62Å; F63-I107 HydrophobicContact CE1-CG1 3.94Å; F63-I107 HydrophobicContact CE1-CG2 3.97Å; F63-I107 HydrophobicContact CE2-CG2 4.47Å; F63-I107 HydrophobicContact CG-CG2 4.4Å; F63-I107 HydrophobicContact CZ-CG2 4.15Å
64L96.1Very high93.7Very high3 Ų372.7 Ų72.72%0.01637%0.373CS..EExtended strand (participates in β ladder)trans-108.3118.3-176.5-64.4166.6000110.8A45 K62 K66 I77 E105 I106 L108A45-L64 HydrophobicContact CB-CD2 3.78Å; K62-L64 HydrophobicContact CD-CD2 4.28Å; K62-L64 HydrophobicContact CG-CD2 4.16Å; K62-L64 HydrophobicContact CG-CG 4.17Å; L64-K66 PolarHBondContact O-N 3.24Å; L64-I77 HydrophobicContact CB-CD1 3.83Å; L64-I77 HydrophobicContact CB-CG1 4.13Å; L64-I77 HydrophobicContact CB-CG2 4.45Å; L64-I77 HydrophobicContact CD1-CG1 4.24Å; L64-I77 HydrophobicContact CD1-CG2 3.67Å; L64-E105 CarbonylContact O-C 3.56Å; L64-E105 VanDerWaalsContact O-CA 3.22Å; L64-E105 WeakPolarHBondContact O-CA 3.46Å; L64-I106 WeakPolarHBondContact CB-O 3.38Å; L64-I106 PolarHBondContact N-O 3.25Å; L64-I106 PolarHBondContact O-N 2.82Å; L64-L108 HydrophobicContact CD1-CD1 3.72Å; L64-L108 HydrophobicContact CD1-CD2 4.49Å; L64-L108 HydrophobicContact CD1-CG 3.86Å
65K94.5Very high93.3Very high111 Ų11170 Ų7048%0.48336%0.358SS..EExtended strand (participates in β ladder)trans-68.8128.5175-66.4-175.5178.8-178.80111F44 R67 R68 E105F44-K65 PolarHBondContact O-N 3.1Å; K65-R67 VanDerWaalsContact C-N 3.3Å; K65-R67 PolarHBondContact O-N 2.75Å; K65-R68 PolarHBondContact O-NE 3.23Å; K65-E105 HydrophobicContact CG-CG 4.36Å
66K93.1Very high93Very high31 Ų3166.8 Ų66.814%0.13534%0.336CS..SBendtrans-69.6-25.7176.9-70.5-168.3-78.6-174.80113.4L64 C73 I77 E101 N102 T103 S104 I106L64-K66 PolarHBondContact O-N 3.24Å; K66-C73 PolarHBondContact O-N 3.19Å; K66-I77 HydrophobicContact CG-CD1 4.48Å; K66-E101 WeakPolarHBondContact CD-OE1 3.27Å; K66-E101 IonicContact NZ-OE1 2.92Å; K66-E101 PolarHBondContact NZ-OE1 3.47Å; K66-N102 WeakPolarHBondContact CE-O 3.42Å; K66-N102 PolarHBondContact NZ-O 2.89Å; K66-T103 WeakPolarHBondContact CE-O 3.39Å; K66-T103 PolarHBondContact NZ-O 3.27Å; K66-S104 WeakPolarHBondContact CB-O 3.48Å; K66-S104 PolarHBondContact N-O 2.98Å; K66-I106 HydrophobicContact CD-CD1 4.25Å; K66-I106 HydrophobicContact CD-CG1 4.07Å; K66-I106 HydrophobicContact CG-CD1 4.21Å; K66-I106 HydrophobicContact CG-CG1 4.04Å
67R90.6Very high92.8Very high195 Ų19564.4 Ų64.474%0.73631%0.311SS*.EExtended strand (participates in β ladder)trans-116128.8173.9-70.5-173175.6-174-0.9111.2K65 Q71K65-R67 VanDerWaalsContact C-N 3.3Å; K65-R67 PolarHBondContact O-N 2.75Å; R67-Q71 CarbonylContact C-O 3.41Å; R67-Q71 VanDerWaalsContact CA-O 3.25Å; R67-Q71 WeakPolarHBondContact CA-O 3.44Å
68R86.7Confident92.6Very high48 Ų4861.1 Ų61.118%0.18130%0.297CS..EExtended strand (participates in β ladder)trans-132.2124.4179.2-52.5174.6-170.4170.7-1.4108.7F44 K65 G70 Q71 C73F44-R68 HydrophobicContact CB-CG 4.1Å; F44-R68 HydrophobicContact CD1-CB 3.8Å; F44-R68 HydrophobicContact CD1-CG 3.76Å; F44-R68 HydrophobicContact CE1-CB 3.84Å; F44-R68 HydrophobicContact CE1-CG 4.32Å; F44-R68 HydrophobicContact CG-CB 4.31Å; F44-R68 HydrophobicContact CG-CG 3.94Å; F44-R68 HydrophobicContact CZ-CB 4.36Å; K65-R68 PolarHBondContact O-NE 3.23Å; R68-G70 PolarHBondContact O-N 3.34Å; R68-G70 VanDerWaalsContact O-N 3.1Å; R68-Q71 PolarHBondContact N-O 3.34Å; R68-Q71 PolarHBondContact O-N 3.23Å; R68-C73 VanDerWaalsContact CD-SG 3.58Å; R68-C73 HydrophobicContact CG-CB 4.15Å
69R82.4Confident92.3Very high184 Ų18457.5 Ų57.569%0.69428%0.28SS*.THydrogen-bonded Turntrans4937.1-178-53.7-175.6-169.8165.613.3114F44 Q71F44-R69 HydrophobicContact CE1-CG 4.24Å; F44-R69 HydrophobicContact CZ-CG 4.18Å; R69-Q71 VanDerWaalsContact C-N 3.27Å; R69-Q71 PolarHBondContact O-N 3Å
70G83.9Confident92.1Very high77 Ų7756.2 Ų56.279%0.79428%0.275SS*.THydrogen-bonded Turntrans80.6-2.8-179.200000115.6R68R68-G70 PolarHBondContact O-N 3.34Å; R68-G70 VanDerWaalsContact O-N 3.1Å
71Q87.5Confident92Very high140 Ų14055.8 Ų55.865%0.65427%0.271SS*.EExtended strand (participates in β ladder)trans-96.3145.3175.5-65.8174.5-27.300110.9R67 R68 R69R67-Q71 CarbonylContact C-O 3.41Å; R67-Q71 VanDerWaalsContact CA-O 3.25Å; R67-Q71 WeakPolarHBondContact CA-O 3.44Å; R68-Q71 PolarHBondContact N-O 3.34Å; R68-Q71 PolarHBondContact O-N 3.23Å; R69-Q71 VanDerWaalsContact C-N 3.27Å; R69-Q71 PolarHBondContact O-N 3Å
72D90Very high91.9Very high111 Ų11155.9 Ų55.959%0.59427%0.273SS*.EExtended strand (participates in β ladder)trans-78.3120168.9-169.9-14.8000109R74D72-R74 WeakPolarHBondContact OD1-CB 3.37Å; D72-R74 PolarHBondContact OD1-N 3.23Å
73C89.8Confident91.9Very high15 Ų1555.3 Ų55.310%0.10127%0.27CS..  trans-109.913.7-178.9-59.50000111.9K66 R68 A75 E76 I77K66-C73 PolarHBondContact O-N 3.19Å; R68-C73 VanDerWaalsContact CD-SG 3.58Å; R68-C73 HydrophobicContact CG-CB 4.15Å; C73-A75 PolarHBondContact O-N 3.22Å; C73-E76 WeakPolarHBondContact O-CB 3.45Å; C73-E76 PolarHBondContact O-N 2.88Å; C73-I77 WeakPolarHBondContact O-CG1 3.49Å; C73-I77 PolarHBondContact O-N 3.37Å; C73-I77 VanDerWaalsContact O-N 3.15Å
74R91.7Very high91.9Very high83 Ų8353.9 Ų53.931%0.31326%0.264SS..Hα-helixtrans-57.5-39.9179.1-171171.9-174.2-81.2-6.5111.5D72 E76 I77 L78 E101 I106D72-R74 WeakPolarHBondContact OD1-CB 3.37Å; D72-R74 PolarHBondContact OD1-N 3.23Å; R74-E76 PolarHBondContact O-N 3.12Å; R74-I77 PolarHBondContact O-N 2.94Å; R74-L78 HydrophobicContact CG-CD1 4.44Å; R74-L78 HydrophobicContact CG-CG 4.4Å; R74-L78 VanDerWaalsContact O-CG 3.27Å; R74-L78 WeakPolarHBondContact O-CG 3.44Å; R74-L78 PolarHBondContact O-N 3.44Å; R74-E101 IonicContact CZ-OE1 3.18Å; R74-E101 IonicContact CZ-OE2 2.68Å; R74-E101 IonicContact NE-OE1 3.1Å; R74-E101 PolarHBondContact NE-OE1 3.23Å; R74-E101 VanDerWaalsContact NE-OE1 3.11Å; R74-E101 IonicContact NE-OE2 2.72Å; R74-E101 IonicContact NH2-OE1 3.34Å; R74-E101 IonicContact NH2-OE2 3.84Å; R74-E101 PolarHBondContact NH2-OE2 3.46Å; R74-I106 HydrophobicContact CG-CD1 4.14Å
75A90.4Very high91.9Very high51 Ų5155.5 Ų55.542%0.42127%0.271SS..Hα-helixtrans-60.3-42.1177.800000113.3L14 C73 I77 L78 H79L14-A75 HydrophobicContact CD1-CB 4.32Å; C73-A75 PolarHBondContact O-N 3.22Å; A75-I77 VanDerWaalsContact C-N 3.34Å; A75-L78 PolarHBondContact O-N 3.49Å; A75-H79 PolarHBondContact O-N 2.82Å
76E90.4Very high91.9Very high32 Ų3253.2 Ų53.215%0.1526%0.264CS..Hα-helixtrans-62.5-41.2174.3-62.3-63.8142.800111.7I11 L14 C73 R74 H79 E80 R184I11-E76 WeakPolarHBondContact CD1-OE1 3.43Å; I11-E76 WeakPolarHBondContact CG2-OE1 3.12Å; L14-E76 WeakPolarHBondContact CD2-OE2 3.38Å; C73-E76 WeakPolarHBondContact O-CB 3.45Å; C73-E76 PolarHBondContact O-N 2.88Å; R74-E76 PolarHBondContact O-N 3.12Å; E76-H79 WeakPolarHBondContact O-CB 3.32Å; E76-H79 PolarHBondContact O-N 2.95Å; E76-E80 PolarHBondContact O-N 3.38Å; E76-R184 IonicContact OE2-NH1 3.71Å
77I93.6Very high92.1Very high0 Ų051.9 Ų51.90%026%0.259CS..Hα-helixtrans-67.7-40.1178.7-61.5164.8000110.7L64 K66 C73 R74 A75 H79 E80 I81 I106L64-I77 HydrophobicContact CB-CD1 3.83Å; L64-I77 HydrophobicContact CB-CG1 4.13Å; L64-I77 HydrophobicContact CB-CG2 4.45Å; L64-I77 HydrophobicContact CD1-CG1 4.24Å; L64-I77 HydrophobicContact CD1-CG2 3.67Å; K66-I77 HydrophobicContact CG-CD1 4.48Å; C73-I77 WeakPolarHBondContact O-CG1 3.49Å; C73-I77 PolarHBondContact O-N 3.37Å; C73-I77 VanDerWaalsContact O-N 3.15Å; R74-I77 PolarHBondContact O-N 2.94Å; A75-I77 VanDerWaalsContact C-N 3.34Å; I77-H79 VanDerWaalsContact C-N 3.29Å; I77-H79 PolarHBondContact O-N 3.44Å; I77-E80 PolarHBondContact O-N 3.07Å; I77-I81 HydrophobicContact CG2-CD1 4.19Å; I77-I81 WeakPolarHBondContact O-CG1 3.25Å; I77-I81 PolarHBondContact O-N 2.89Å; I77-I106 HydrophobicContact CB-CD1 4.1Å; I77-I106 HydrophobicContact CD1-CD1 4.24Å; I77-I106 HydrophobicContact CG2-CB 3.89Å; I77-I106 HydrophobicContact CG2-CD1 3.62Å; I77-I106 HydrophobicContact CG2-CG1 4.34Å; I77-I106 HydrophobicContact CG2-CG2 3.74Å
78L93.7Very high92.3Very high37 Ų3749.2 Ų49.219%0.19425%0.253CS..Hα-helixtrans-63.7-37.1174.5-66.8179.5000112P19 M23 R74 A75 I81 A82P19-L78 HydrophobicContact CG-CD2 4.03Å; M23-L78 HydrophobicContact CE-CD2 3.12Å; M23-L78 HydrophobicContact SD-CD2 4.12Å; R74-L78 HydrophobicContact CG-CD1 4.44Å; R74-L78 HydrophobicContact CG-CG 4.4Å; R74-L78 VanDerWaalsContact O-CG 3.27Å; R74-L78 WeakPolarHBondContact O-CG 3.44Å; R74-L78 PolarHBondContact O-N 3.44Å; A75-L78 PolarHBondContact O-N 3.49Å; L78-I81 HydrophobicContact CD2-CD1 4.43Å; L78-I81 PolarHBondContact O-N 2.99Å; L78-A82 WeakPolarHBondContact O-CB 3.12Å; L78-A82 PolarHBondContact O-N 2.84Å
79H93.1Very high92.8Very high0 Ų051.3 Ų51.30%028%0.275CS..Hα-helixtrans-60.3-48.6172.8168.448.3000111.4L14 L15 A75 E76 I77 I81 A82 V83 S183L14-H79 HydrophobicContact CB-CB 4.18Å; L14-H79 HydrophobicContact CD2-CB 3.89Å; L14-H79 VanDerWaalsContact CD2-CD2 3.42Å; L14-H79 WeakPolarHBondContact CD2-CD2 3.33Å; L14-H79 HydrophobicContact CG-CB 4.43Å; L15-H79 VanDerWaalsContact CB-ND1 3.27Å; L15-H79 WeakPolarHBondContact CB-ND1 3.27Å; L15-H79 PolarHBondContact N-CE1 3.06Å; L15-H79 PolarHBondContact N-ND1 3.13Å; A75-H79 PolarHBondContact O-N 2.82Å; E76-H79 WeakPolarHBondContact O-CB 3.32Å; E76-H79 PolarHBondContact O-N 2.95Å; I77-H79 VanDerWaalsContact C-N 3.29Å; I77-H79 PolarHBondContact O-N 3.44Å; H79-I81 VanDerWaalsContact C-N 3.32Å; H79-I81 PolarHBondContact O-N 2.94Å; H79-A82 PolarHBondContact O-N 3.27Å; H79-A82 VanDerWaalsContact O-N 3.15Å; H79-V83 WeakPolarHBondContact CE1-CG2 3.38Å; H79-V83 WeakPolarHBondContact O-CG2 3.44Å; H79-V83 PolarHBondContact O-N 2.86Å; H79-S183 PolarHBondContact NE2-O 2.87Å; H79-S183 PolarHBondContact NE2-OG 2.93Å
80E95.4Very high93.6Very high7 Ų743 Ų433%0.03325%0.245CC..Hα-helixtrans-57-45.1177.3-172.4179.9172.400111.5K62 E76 I77 A82 V83 L84 F180K62-E80 IonicContact NZ-OE1 3.61Å; K62-E80 PolarHBondContact NZ-OE1 3.17Å; K62-E80 IonicContact NZ-OE2 3.11Å; E76-E80 PolarHBondContact O-N 3.38Å; I77-E80 PolarHBondContact O-N 3.07Å; E80-A82 PolarHBondContact O-N 3.31Å; E80-V83 PolarHBondContact O-N 3.48Å; E80-L84 HydrophobicContact CG-CD1 4.43Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 3.33Å; E80-F180 HydrophobicContact CG-CB 4.07Å
81I96.4Very high94.3Very high0 Ų043.3 Ų43.30%023%0.233CC..Hα-helixtrans-59.3-48.1175.3-67.7163.4000111P19 M23 I77 L78 H79 V83 L84 E85 L96 V99 I106 L108P19-I81 HydrophobicContact CB-CG2 3.78Å; P19-I81 HydrophobicContact CG-CB 4.49Å; P19-I81 HydrophobicContact CG-CG2 4.02Å; M23-I81 HydrophobicContact CE-CD1 4.47Å; I77-I81 HydrophobicContact CG2-CD1 4.19Å; I77-I81 WeakPolarHBondContact O-CG1 3.25Å; I77-I81 PolarHBondContact O-N 2.89Å; L78-I81 HydrophobicContact CD2-CD1 4.43Å; L78-I81 PolarHBondContact O-N 2.99Å; H79-I81 VanDerWaalsContact C-N 3.32Å; H79-I81 PolarHBondContact O-N 2.94Å; I81-V83 VanDerWaalsContact C-N 3.29Å; I81-V83 PolarHBondContact O-N 3.35Å; I81-L84 PolarHBondContact O-N 3.44Å; I81-E85 HydrophobicContact CG2-CG 4.4Å; I81-E85 WeakPolarHBondContact O-CG 3.44Å; I81-E85 PolarHBondContact O-N 2.91Å; I81-L96 HydrophobicContact CG2-CD2 3.88Å; I81-V99 HydrophobicContact CD1-CG1 3.97Å; I81-V99 HydrophobicContact CD1-CG2 4.3Å; I81-V99 HydrophobicContact CG1-CG2 4.39Å; I81-V99 HydrophobicContact CG2-CG2 4.36Å; I81-I106 HydrophobicContact CD1-CG2 4.19Å; I81-L108 HydrophobicContact CD1-CD2 3.83Å; I81-L108 HydrophobicContact CG1-CD2 3.55Å
82A96Very high94.8Very high3 Ų338.3 Ų38.33%0.02521%0.208CC..Hα-helixtrans-64.4-33.9-177.500000112.3L15 L78 H79 E80 L86L15-A82 HydrophobicContact CB-CB 4.39Å; L15-A82 HydrophobicContact CD2-CB 3.63Å; L15-A82 HydrophobicContact CG-CB 4.17Å; L78-A82 WeakPolarHBondContact O-CB 3.12Å; L78-A82 PolarHBondContact O-N 2.84Å; H79-A82 PolarHBondContact O-N 3.27Å; H79-A82 VanDerWaalsContact O-N 3.15Å; E80-A82 PolarHBondContact O-N 3.31Å; A82-L86 WeakPolarHBondContact O-CB 3.47Å; A82-L86 PolarHBondContact O-N 2.87Å
83V96.3Very high95.2Very high1 Ų133.2 Ų33.21%0.00618%0.18CC..Hα-helixtrans-68.5-44.6173.8173.90000111.2L15 H79 E80 I81 E85 L86 A87 I154 F180L15-V83 HydrophobicContact CB-CG2 4.48Å; L15-V83 HydrophobicContact CD2-CG2 4.26Å; H79-V83 WeakPolarHBondContact CE1-CG2 3.38Å; H79-V83 WeakPolarHBondContact O-CG2 3.44Å; H79-V83 PolarHBondContact O-N 2.86Å; E80-V83 PolarHBondContact O-N 3.48Å; I81-V83 VanDerWaalsContact C-N 3.29Å; I81-V83 PolarHBondContact O-N 3.35Å; V83-E85 VanDerWaalsContact C-N 3.31Å; V83-E85 PolarHBondContact O-N 3.15Å; V83-L86 WeakPolarHBondContact O-CB 3.4Å; V83-L86 PolarHBondContact O-N 3.27Å; V83-A87 WeakPolarHBondContact O-CB 3.33Å; V83-A87 PolarHBondContact O-N 3.12Å; V83-I154 HydrophobicContact CG1-CG2 4.05Å; V83-I154 HydrophobicContact CG2-CD1 4.3Å; V83-F180 HydrophobicContact CB-CB 4.41Å; V83-F180 HydrophobicContact CG1-CB 4.08Å; V83-F180 HydrophobicContact CG1-CD1 3.38Å; V83-F180 HydrophobicContact CG1-CE1 3.94Å; V83-F180 HydrophobicContact CG1-CG 3.8Å
84L97.4Very high95.6Very high3 Ų332.8 Ų32.82%0.01618%0.177CC..Hα-helixtrans-61.2-39.3176.3-72.5169.3000112.1E80 I81 A87 K88 V93 I94 L96 L108 L110 F180E80-L84 HydrophobicContact CG-CD1 4.43Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 3.33Å; I81-L84 PolarHBondContact O-N 3.44Å; L84-A87 PolarHBondContact O-N 2.76Å; L84-K88 PolarHBondContact O-N 3.38Å; L84-V93 HydrophobicContact CD2-CG1 4.43Å; L84-I94 HydrophobicContact CD2-CG2 3.75Å; L84-L96 HydrophobicContact CB-CB 3.99Å; L84-L96 HydrophobicContact CB-CD2 4.32Å; L84-L96 HydrophobicContact CD1-CB 4.41Å; L84-L108 HydrophobicContact CD1-CD1 4.11Å; L84-L110 HydrophobicContact CD1-CD2 3.99Å; L84-F180 HydrophobicContact CD2-CD2 3.59Å; L84-F180 HydrophobicContact CD2-CE2 3.74Å; L84-F180 HydrophobicContact CG-CD2 4.19Å
85E96Very high95.9Very high36 Ų3631.6 Ų31.617%0.16818%0.177CC..Hα-helixtrans-64.6-43.8175-73.7178.2176.100112.5P19 Q20 T21 I81 V83 A87 K88 L96P19-E85 WeakPolarHBondContact CA-OE2 3.29Å; Q20-E85 PolarHBondContact N-OE1 3.24Å; Q20-E85 PolarHBondContact N-OE2 3.3Å; T21-E85 WeakPolarHBondContact CA-OE1 3.49Å; T21-E85 WeakPolarHBondContact CB-OE1 3.45Å; T21-E85 PolarHBondContact N-OE1 3.1Å; T21-E85 PolarHBondContact OG1-OE1 3.47Å; I81-E85 HydrophobicContact CG2-CG 4.4Å; I81-E85 WeakPolarHBondContact O-CG 3.44Å; I81-E85 PolarHBondContact O-N 2.91Å; V83-E85 VanDerWaalsContact C-N 3.31Å; V83-E85 PolarHBondContact O-N 3.15Å; E85-A87 PolarHBondContact O-N 2.9Å; E85-K88 VanDerWaalsContact O-CB 3.24Å; E85-K88 WeakPolarHBondContact O-CB 3.42Å; E85-K88 PolarHBondContact O-N 3.03Å; E85-L96 HydrophobicContact CG-CD2 4.23Å
86L95.6Very high96.3Very high64 Ų6429.5 Ų29.534%0.33516%0.159SC..Hα-helixtrans-61.3-34.4175.8179.965.1000112L15 A82 V83 Y148 N152 I154L15-L86 HydrophobicContact CD2-CD2 4.4Å; A82-L86 WeakPolarHBondContact O-CB 3.47Å; A82-L86 PolarHBondContact O-N 2.87Å; V83-L86 WeakPolarHBondContact O-CB 3.4Å; V83-L86 PolarHBondContact O-N 3.27Å; L86-Y148 PolarHBondContact O-OH 3.01Å; L86-N152 HydrophobicContact CD2-CB 3.97Å; L86-N152 HydrophobicContact CG-CB 4.47Å; L86-I154 HydrophobicContact CD2-CD1 4.43Å; L86-I154 HydrophobicContact CD2-CG1 4.02Å
87A97Very high96.6Very high2 Ų231.6 Ų31.62%0.01717%0.168CC..THydrogen-bonded Turntrans-881.8-17900000114.6V83 L84 E85 S89 C90 V93 Y148 L149V83-A87 WeakPolarHBondContact O-CB 3.33Å; V83-A87 PolarHBondContact O-N 3.12Å; L84-A87 PolarHBondContact O-N 2.76Å; E85-A87 PolarHBondContact O-N 2.9Å; A87-S89 PolarHBondContact O-N 2.89Å; A87-S89 VanDerWaalsContact O-N 3.09Å; A87-C90 WeakPolarHBondContact O-CB 3.44Å; A87-C90 PolarHBondContact O-N 3.45Å; A87-V93 HydrophobicContact CB-CB 3.97Å; A87-V93 HydrophobicContact CB-CG1 3.65Å; A87-V93 HydrophobicContact CB-CG2 4.12Å; A87-Y148 HydrophobicContact CB-CE1 4.27Å; A87-L149 HydrophobicContact CB-CD2 4.4Å
88K96.1Very high96.8Very high140 Ų14033.5 Ų33.561%0.60918%0.177SC*.THydrogen-bonded Turntrans-55.7-31.5-174.1179.6170.3-177.7167.40115.1L84 E85 C90L84-K88 PolarHBondContact O-N 3.38Å; E85-K88 VanDerWaalsContact O-CB 3.24Å; E85-K88 WeakPolarHBondContact O-CB 3.42Å; E85-K88 PolarHBondContact O-N 3.03Å; K88-C90 VanDerWaalsContact C-N 3.33Å
89S96.5Very high97Very high92 Ų9231.7 Ų31.764%0.64317%0.168SC*.THydrogen-bonded Turntrans-82.4-8.3177.446.10000114A87 P91 Y148A87-S89 PolarHBondContact O-N 2.89Å; A87-S89 VanDerWaalsContact O-N 3.09Å; S89-P91 WeakPolarHBondContact O-CD 3.26Å; S89-Y148 PolarHBondContact OG-OH 3.43Å
90C98.3Very high97.3Very high10 Ų1031.9 Ų31.97%0.06817%0.168CC..  trans-90.1114177.4-174.30000109.8A87 K88 R92 V93 Y148A87-C90 WeakPolarHBondContact O-CB 3.44Å; A87-C90 PolarHBondContact O-N 3.45Å; K88-C90 VanDerWaalsContact C-N 3.33Å; C90-R92 PolarHBondContact O-N 3.19Å; C90-V93 HydrophobicContact CB-CB 4.46Å; C90-V93 HydrophobicContact CB-CG2 4.3Å; C90-V93 PolarHBondContact O-N 3.12Å; C90-Y148 HydrophobicContact CB-CD1 3.75Å; C90-Y148 HydrophobicContact CB-CD2 3.94Å; C90-Y148 HydrophobicContact CB-CE1 4.02Å; C90-Y148 HydrophobicContact CB-CE2 4.15Å; C90-Y148 HydrophobicContact CB-CG 3.72Å
91P98.2Very high97.3Very high83 Ų8332.2 Ų32.254%0.53917%0.17SC..THydrogen-bonded Turntrans-68-18-177.828.1-35.3000113.4S89 V93 K176S89-P91 WeakPolarHBondContact O-CD 3.26Å; P91-V93 VanDerWaalsContact C-N 3.34Å; P91-K176 WeakPolarHBondContact O-CD 3.35Å; P91-K176 WeakPolarHBondContact O-CE 3.24Å; P91-K176 PolarHBondContact O-NZ 3.44Å
92R98.8Very high97.2Very high35 Ų3535.2 Ų35.213%0.13219%0.186CC..THydrogen-bonded Turntrans-82.1-10.4-179.7-54.7-52-179.4-151.2-5.4113.5C90 Q141 E144 D174 I175 K176 I177C90-R92 PolarHBondContact O-N 3.19Å; R92-Q141 WeakPolarHBondContact CG-O 3.28Å; R92-Q141 VanDerWaalsContact CZ-CD 3.45Å; R92-Q141 VanDerWaalsContact CZ-CG 3.46Å; R92-Q141 VanDerWaalsContact NH1-CD 3.32Å; R92-E144 HydrophobicContact CG-CB 4.02Å; R92-E144 IonicContact CZ-OE2 3.6Å; R92-E144 IonicContact NE-OE2 2.69Å; R92-E144 PolarHBondContact NE-OE2 3.3Å; R92-E144 IonicContact NH2-OE2 3.95Å; R92-E144 PolarHBondContact NH2-OE2 3.09Å; R92-D174 VanDerWaalsContact NH1-CG 3.28Å; R92-D174 IonicContact NH1-OD1 2.89Å; R92-D174 IonicContact NH1-OD2 2.79Å; R92-D174 PolarHBondContact NH1-OD2 2.93Å; R92-I175 HydrophobicContact CB-CD1 3.86Å; R92-I175 HydrophobicContact CG-CD1 4.49Å; R92-K176 CarbonylContact O-C 3.51Å; R92-K176 WeakPolarHBondContact O-CA 3.14Å; R92-I177 PolarHBondContact O-N 2.87Å
93V98.7Very high97Very high3 Ų341.7 Ų41.72%0.01823%0.226CC..BIsolated β-bridgetrans-104.5143.1174.8175.20000109L84 A87 C90 P91 N95 L149 I177 F180L84-V93 HydrophobicContact CD2-CG1 4.43Å; A87-V93 HydrophobicContact CB-CB 3.97Å; A87-V93 HydrophobicContact CB-CG1 3.65Å; A87-V93 HydrophobicContact CB-CG2 4.12Å; C90-V93 HydrophobicContact CB-CB 4.46Å; C90-V93 HydrophobicContact CB-CG2 4.3Å; C90-V93 PolarHBondContact O-N 3.12Å; P91-V93 VanDerWaalsContact C-N 3.34Å; V93-N95 PolarHBondContact O-N 2.99Å; V93-L149 HydrophobicContact CG2-CD2 4.4Å; V93-I177 HydrophobicContact CG2-CB 4.47Å; V93-F180 HydrophobicContact CB-CZ 4.41Å; V93-F180 HydrophobicContact CG1-CE2 3.55Å; V93-F180 HydrophobicContact CG1-CZ 3.43Å; V93-F180 VanDerWaalsContact CG1-CZ 3.43Å; V93-F180 HydrophobicContact CG2-CZ 4.14Å
94I98.5Very high96.8Very high6 Ų645.1 Ų45.13%0.03125%0.249CC..PPolyproline II helixtrans-61.3132.6177.7-159.770.1000111.1L84 L110 E111 A113 K176 I177 V178L84-I94 HydrophobicContact CD2-CG2 3.75Å; I94-L110 HydrophobicContact CG1-CB 4.33Å; I94-E111 HydrophobicContact CD1-CB 3.78Å; I94-E111 HydrophobicContact CD1-CG 4.06Å; I94-E111 WeakPolarHBondContact CD1-O 3.47Å; I94-E111 HydrophobicContact CG1-CB 4.16Å; I94-A113 HydrophobicContact CD1-CB 4.34Å; I94-K176 HydrophobicContact CD1-CB 3.88Å; I94-K176 HydrophobicContact CD1-CD 4.37Å; I94-K176 HydrophobicContact CD1-CG 4.08Å; I94-I177 PolarHBondContact N-O 3.45Å; I94-V178 HydrophobicContact CB-CG1 3.73Å; I94-V178 HydrophobicContact CD1-CG1 4.31Å; I94-V178 HydrophobicContact CG1-CG1 4.04Å; I94-V178 HydrophobicContact CG2-CB 4.39Å; I94-V178 HydrophobicContact CG2-CG1 3.88Å
95N97.9Very high96.7Very high59 Ų5947.2 Ų47.232%0.31626%0.259SS..PPolyproline II helixtrans-83135-177.5-172.727.4000112V93 L110 E111V93-N95 PolarHBondContact O-N 2.99Å; N95-L110 WeakPolarHBondContact O-CA 3.33Å; N95-E111 HydrophobicContact CB-CB 4.15Å; N95-E111 PolarHBondContact N-OE2 3.26Å; N95-E111 PolarHBondContact O-N 3.38Å
96L98.3Very high96.8Very high6 Ų645.5 Ų45.53%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-85.3118.5169.2177.966.3000109.8I81 L84 E85 V99 L108 L110I81-L96 HydrophobicContact CG2-CD2 3.88Å; L84-L96 HydrophobicContact CB-CB 3.99Å; L84-L96 HydrophobicContact CB-CD2 4.32Å; L84-L96 HydrophobicContact CD1-CB 4.41Å; E85-L96 HydrophobicContact CG-CD2 4.23Å; L96-V99 HydrophobicContact CD1-CG2 3.97Å; L96-V99 HydrophobicContact CD2-CG2 3.87Å; L96-V99 HydrophobicContact CG-CG2 4.3Å; L96-L108 HydrophobicContact CD1-CB 4.03Å; L96-L108 HydrophobicContact CD1-CD2 4.48Å; L96-L110 HydrophobicContact CB-CD2 4.34Å; L96-L110 HydrophobicContact CD1-CD2 3.74Å
97H97.6Very high96.9Very high76 Ų7642.8 Ų42.835%0.35224%0.237SC..EExtended strand (participates in β ladder)trans-88.4-55178.9-179.150.4000111.9Y32 Y59 I109Y32-H97 PolarHBondContact OH-CD2 2.89Å; Y32-H97 VanDerWaalsContact OH-CD2 3.27Å; Y32-H97 PolarHBondContact OH-NE2 3.27Å; Y59-H97 HydrophobicContact CD1-CB 4.2Å; Y59-H97 HydrophobicContact CE1-CB 3.89Å; Y59-H97 AromaticContact CE1-CD2 3.4Å; Y59-H97 VanDerWaalsContact CE1-CD2 3.4Å; Y59-H97 WeakPolarHBondContact CE1-CD2 3.49Å; Y59-H97 AromaticContact CE1-CG 3.58Å; Y59-H97 AromaticContact CZ-CD2 3.48Å; Y59-H97 VanDerWaalsContact CZ-CD2 3.48Å; Y59-H97 AromaticContact CZ-NE2 3.64Å; Y59-H97 PolarHBondContact OH-NE2 2.9Å; H97-I109 WeakPolarHBondContact CA-O 3.35Å; H97-I109 HydrophobicContact CB-CG2 4.29Å; H97-I109 WeakPolarHBondContact CB-O 3.3Å; H97-I109 PolarHBondContact N-O 3.01Å
98E97.4Very high97Very high40 Ų4042.7 Ų42.719%0.18724%0.236CC..EExtended strand (participates in β ladder)trans-149.2161.1-177.2-62.9-168.3151.900111.7K24 Y32 Y100 I109K24-E98 IonicContact NZ-OE1 3.59Å; K24-E98 PolarHBondContact NZ-OE1 2.92Å; K24-E98 IonicContact NZ-OE2 2.76Å; K24-E98 PolarHBondContact NZ-OE2 3.39Å; Y32-E98 PolarHBondContact OH-OE2 3.25Å; E98-Y100 HydrophobicContact CB-CE2 4.21Å; E98-Y100 WeakPolarHBondContact OE2-CE2 3.26Å; E98-Y100 PolarHBondContact OE2-OH 3.2Å; E98-Y100 VanDerWaalsContact OE2-OH 3.13Å; E98-I109 HydrophobicContact CB-CB 4.1Å; E98-I109 HydrophobicContact CB-CG1 4.12Å; E98-I109 PolarHBondContact N-O 2.82Å; E98-I109 WeakPolarHBondContact O-CB 3.47Å; E98-I109 PolarHBondContact O-N 3.49Å
99V98.1Very high97.1Very high0 Ų036 Ų360%021%0.207CC..EExtended strand (participates in β ladder)trans-128.5131.4175.7-176.70000110T21 M23 K24 I81 L96 I106 I107 L108T21-V99 HydrophobicContact CG2-CB 4.47Å; T21-V99 HydrophobicContact CG2-CG2 4.04Å; M23-V99 HydrophobicContact CG-CB 4.43Å; M23-V99 HydrophobicContact CG-CG1 3.91Å; K24-V99 PolarHBondContact N-O 3.41Å; I81-V99 HydrophobicContact CD1-CG1 3.97Å; I81-V99 HydrophobicContact CD1-CG2 4.3Å; I81-V99 HydrophobicContact CG1-CG2 4.39Å; I81-V99 HydrophobicContact CG2-CG2 4.36Å; L96-V99 HydrophobicContact CD1-CG2 3.97Å; L96-V99 HydrophobicContact CD2-CG2 3.87Å; L96-V99 HydrophobicContact CG-CG2 4.3Å; V99-I106 HydrophobicContact CG1-CG2 3.84Å; V99-I107 WeakPolarHBondContact CA-O 3.49Å; V99-L108 HydrophobicContact CG1-CD2 4.08Å; V99-L108 HydrophobicContact CG2-CD2 4.04Å
100Y98Very high97.2Very high3 Ų332.4 Ų32.41%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-115.4145.9171.1-69-98.6000110.4K24 E26 F28 F31 Y32 E98 I106 I107 I109K24-Y100 HydrophobicContact CB-CD1 3.62Å; K24-Y100 HydrophobicContact CB-CE1 3.71Å; K24-Y100 HydrophobicContact CB-CG 4.22Å; K24-Y100 HydrophobicContact CD-CD1 4.43Å; K24-Y100 HydrophobicContact CD-CE1 3.76Å; K24-Y100 HydrophobicContact CD-CE2 4.24Å; K24-Y100 HydrophobicContact CG-CE1 4.4Å; K24-Y100 CarbonylContact O-C 3.57Å; K24-Y100 VanDerWaalsContact O-CA 3.32Å; K24-Y100 WeakPolarHBondContact O-CA 3.47Å; E26-Y100 WeakPolarHBondContact O-CD1 3.24Å; F28-Y100 HydrophobicContact CB-CD1 3.97Å; F28-Y100 HydrophobicContact CB-CD2 4.42Å; F28-Y100 HydrophobicContact CB-CE1 4.4Å; F28-Y100 HydrophobicContact CB-CG 3.98Å; F28-Y100 AromaticContact CD2-CD2 3.88Å; F28-Y100 HydrophobicContact CD2-CD2 3.88Å; F28-Y100 AromaticContact CD2-CE2 3.98Å; F28-Y100 HydrophobicContact CD2-CE2 3.98Å; F28-Y100 HydrophobicContact CD2-CG 4.3Å; F31-Y100 AromaticContact CD2-CE1 3.85Å; F31-Y100 HydrophobicContact CD2-CE1 3.85Å; F31-Y100 AromaticContact CD2-CZ 3.95Å; F31-Y100 VanDerWaalsContact CD2-OH 3.22Å; F31-Y100 WeakPolarHBondContact CD2-OH 3.26Å; F31-Y100 HydrophobicContact CE2-CE1 4.25Å; Y32-Y100 HydrophobicContact CD2-CE2 4.25Å; Y32-Y100 AromaticContact CE2-CE2 3.8Å; Y32-Y100 HydrophobicContact CE2-CE2 3.8Å; E98-Y100 HydrophobicContact CB-CE2 4.21Å; E98-Y100 WeakPolarHBondContact OE2-CE2 3.26Å; E98-Y100 PolarHBondContact OE2-OH 3.2Å; E98-Y100 VanDerWaalsContact OE2-OH 3.13Å; Y100-I106 CarbonylContact O-C 3.56Å; Y100-I106 WeakPolarHBondContact O-CA 3.46Å; Y100-I107 PolarHBondContact N-O 2.99Å; Y100-I107 PolarHBondContact O-N 2.88Å; Y100-I109 HydrophobicContact CD2-CD1 4.37Å; Y100-I109 HydrophobicContact CD2-CG1 3.95Å; Y100-I109 HydrophobicContact CE2-CG1 3.99Å
101E96.3Very high97.2Very high15 Ų1534.7 Ų34.77%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-128.4130.6173.9-176.8169.3-172.100109.8K24 M25 K66 R74 I106K24-E101 PolarHBondContact O-N 3.45Å; M25-E101 HydrophobicContact CE-CB 4.01Å; M25-E101 HydrophobicContact CE-CG 4.23Å; M25-E101 HydrophobicContact SD-CB 3.98Å; M25-E101 HydrophobicContact SD-CG 4.33Å; K66-E101 WeakPolarHBondContact CD-OE1 3.27Å; K66-E101 IonicContact NZ-OE1 2.92Å; K66-E101 PolarHBondContact NZ-OE1 3.47Å; R74-E101 IonicContact CZ-OE1 3.18Å; R74-E101 IonicContact CZ-OE2 2.68Å; R74-E101 IonicContact NE-OE1 3.1Å; R74-E101 PolarHBondContact NE-OE1 3.23Å; R74-E101 VanDerWaalsContact NE-OE1 3.11Å; R74-E101 IonicContact NE-OE2 2.72Å; R74-E101 IonicContact NH2-OE1 3.34Å; R74-E101 IonicContact NH2-OE2 3.84Å; R74-E101 PolarHBondContact NH2-OE2 3.46Å; E101-I106 HydrophobicContact CB-CG1 4.29Å; E101-I106 HydrophobicContact CG-CG1 3.92Å
102N94.1Very high97.2Very high62 Ų6232.7 Ų32.733%0.33217%0.172SC..  trans-118.3-176.116971.645.8000109.8K66 S104 E105K66-N102 WeakPolarHBondContact CE-O 3.42Å; K66-N102 PolarHBondContact NZ-O 2.89Å; N102-S104 VanDerWaalsContact C-N 3.26Å; N102-S104 PolarHBondContact O-N 2.92Å; N102-S104 PolarHBondContact OD1-N 3.43Å; N102-S104 PolarHBondContact OD1-OG 2.81Å; N102-E105 PolarHBondContact N-O 2.74Å; N102-E105 PolarHBondContact OD1-N 2.96Å
103T92.4Very high97.1Very high140 Ų14031.5 Ų31.586%0.85917%0.17SC*.SBendtrans-57.3-35.5-175.8-49.70000113.8K66K66-T103 WeakPolarHBondContact CE-O 3.39Å; K66-T103 PolarHBondContact NZ-O 3.27Å
104S92.3Very high97Very high72 Ų7233.9 Ų33.950%0.50319%0.19SC..SBendtrans-110.9-21.7-172.446.30000114.8K66 N102K66-S104 WeakPolarHBondContact CB-O 3.48Å; K66-S104 PolarHBondContact N-O 2.98Å; N102-S104 VanDerWaalsContact C-N 3.26Å; N102-S104 PolarHBondContact O-N 2.92Å; N102-S104 PolarHBondContact OD1-N 3.43Å; N102-S104 PolarHBondContact OD1-OG 2.81Å
105E95.7Very high96.9Very high48 Ų4834 Ų3422%0.22419%0.193CC..EExtended strand (participates in β ladder)trans-138.7153-167-61.7173.2156.700111.9L64 K65 N102L64-E105 CarbonylContact O-C 3.56Å; L64-E105 VanDerWaalsContact O-CA 3.22Å; L64-E105 WeakPolarHBondContact O-CA 3.46Å; K65-E105 HydrophobicContact CG-CG 4.36Å; N102-E105 PolarHBondContact N-O 2.74Å; N102-E105 PolarHBondContact OD1-N 2.96Å
106I96.9Very high96.8Very high0 Ų032.6 Ų32.60%019%0.192CC..EExtended strand (participates in β ladder)trans-110.4134.9163.5-68.6169.1000106.7L64 K66 R74 I77 I81 V99 Y100 E101 L108L64-I106 WeakPolarHBondContact CB-O 3.38Å; L64-I106 PolarHBondContact N-O 3.25Å; L64-I106 PolarHBondContact O-N 2.82Å; K66-I106 HydrophobicContact CD-CD1 4.25Å; K66-I106 HydrophobicContact CD-CG1 4.07Å; K66-I106 HydrophobicContact CG-CD1 4.21Å; K66-I106 HydrophobicContact CG-CG1 4.04Å; R74-I106 HydrophobicContact CG-CD1 4.14Å; I77-I106 HydrophobicContact CB-CD1 4.1Å; I77-I106 HydrophobicContact CD1-CD1 4.24Å; I77-I106 HydrophobicContact CG2-CB 3.89Å; I77-I106 HydrophobicContact CG2-CD1 3.62Å; I77-I106 HydrophobicContact CG2-CG1 4.34Å; I77-I106 HydrophobicContact CG2-CG2 3.74Å; I81-I106 HydrophobicContact CD1-CG2 4.19Å; V99-I106 HydrophobicContact CG1-CG2 3.84Å; Y100-I106 CarbonylContact O-C 3.56Å; Y100-I106 WeakPolarHBondContact O-CA 3.46Å; E101-I106 HydrophobicContact CB-CG1 4.29Å; E101-I106 HydrophobicContact CG-CG1 3.92Å; I106-L108 HydrophobicContact CG2-CD2 3.89Å
107I98.1Very high96.7Very high7 Ų735.4 Ų35.44%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-116.6117.5-177.2-46.6168.9000107.7F28 A61 K62 F63 V99 Y100 I109F28-I107 HydrophobicContact CB-CD1 4Å; F28-I107 HydrophobicContact CD1-CD1 4.4Å; F28-I107 HydrophobicContact CG-CD1 4.2Å; A61-I107 HydrophobicContact CB-CG2 4.15Å; K62-I107 WeakPolarHBondContact O-CA 3.35Å; F63-I107 HydrophobicContact CD1-CD1 3.89Å; F63-I107 HydrophobicContact CD1-CG1 3.73Å; F63-I107 HydrophobicContact CD1-CG2 4.1Å; F63-I107 HydrophobicContact CE1-CD1 3.62Å; F63-I107 HydrophobicContact CE1-CG1 3.94Å; F63-I107 HydrophobicContact CE1-CG2 3.97Å; F63-I107 HydrophobicContact CE2-CG2 4.47Å; F63-I107 HydrophobicContact CG-CG2 4.4Å; F63-I107 HydrophobicContact CZ-CG2 4.15Å; V99-I107 WeakPolarHBondContact CA-O 3.49Å; Y100-I107 PolarHBondContact N-O 2.99Å; Y100-I107 PolarHBondContact O-N 2.88Å; I107-I109 HydrophobicContact CG2-CD1 3.96Å
108L98.3Very high96.7Very high0 Ų031.8 Ų31.80%019%0.188CC..EExtended strand (participates in β ladder)trans-93.3125.1174.5-48-174.3000109A61 K62 L64 I81 L84 L96 V99 I106 L110A61-L108 WeakPolarHBondContact CA-O 3.3Å; K62-L108 HydrophobicContact CB-CB 4.31Å; K62-L108 PolarHBondContact N-O 3.26Å; K62-L108 PolarHBondContact O-N 3.43Å; L64-L108 HydrophobicContact CD1-CD1 3.72Å; L64-L108 HydrophobicContact CD1-CD2 4.49Å; L64-L108 HydrophobicContact CD1-CG 3.86Å; I81-L108 HydrophobicContact CD1-CD2 3.83Å; I81-L108 HydrophobicContact CG1-CD2 3.55Å; L84-L108 HydrophobicContact CD1-CD1 4.11Å; L96-L108 HydrophobicContact CD1-CB 4.03Å; L96-L108 HydrophobicContact CD1-CD2 4.48Å; V99-L108 HydrophobicContact CG1-CD2 4.08Å; V99-L108 HydrophobicContact CG2-CD2 4.04Å; I106-L108 HydrophobicContact CG2-CD2 3.89Å; L108-L110 HydrophobicContact CB-CD2 4.04Å; L108-L110 HydrophobicContact CB-CG 4.14Å
109I98.4Very high96.7Very high0 Ų032.6 Ų32.60%019%0.191CC..EExtended strand (participates in β ladder)trans-94.6108.7171.9-49.5-49.1000107.1F28 Y32 Y59 A61 H97 E98 Y100 I107F28-I109 HydrophobicContact CD2-CD1 3.77Å; F28-I109 HydrophobicContact CE2-CD1 3.24Å; F28-I109 HydrophobicContact CE2-CG1 4.22Å; F28-I109 HydrophobicContact CZ-CD1 4.09Å; Y32-I109 HydrophobicContact CE1-CG2 4.01Å; Y32-I109 HydrophobicContact CE2-CG1 4.36Å; Y59-I109 HydrophobicContact CD1-CG2 3.93Å; Y59-I109 HydrophobicContact CD2-CG2 4.42Å; Y59-I109 HydrophobicContact CG-CG2 3.77Å; A61-I109 HydrophobicContact CB-CD1 4.04Å; H97-I109 WeakPolarHBondContact CA-O 3.35Å; H97-I109 HydrophobicContact CB-CG2 4.29Å; H97-I109 WeakPolarHBondContact CB-O 3.3Å; H97-I109 PolarHBondContact N-O 3.01Å; E98-I109 HydrophobicContact CB-CB 4.1Å; E98-I109 HydrophobicContact CB-CG1 4.12Å; E98-I109 PolarHBondContact N-O 2.82Å; E98-I109 WeakPolarHBondContact O-CB 3.47Å; E98-I109 PolarHBondContact O-N 3.49Å; Y100-I109 HydrophobicContact CD2-CD1 4.37Å; Y100-I109 HydrophobicContact CD2-CG1 3.95Å; Y100-I109 HydrophobicContact CE2-CG1 3.99Å; I107-I109 HydrophobicContact CG2-CD1 3.96Å
110L98.6Very high96.5Very high16 Ų1635.8 Ų35.88%0.08421%0.208CC..EExtended strand (participates in β ladder)trans-109.3154.3-173.6-56.1173.9000110Y59 A60 K62 L84 I94 N95 L96 L108 Y112Y59-L110 WeakPolarHBondContact CA-O 3.43Å; Y59-L110 WeakPolarHBondContact CB-O 3.24Å; Y59-L110 WeakPolarHBondContact CD1-O 3.48Å; A60-L110 HydrophobicContact CB-CB 4.37Å; A60-L110 PolarHBondContact N-O 3.49Å; A60-L110 PolarHBondContact O-N 3.45Å; K62-L110 HydrophobicContact CB-CD1 4.16Å; K62-L110 HydrophobicContact CD-CD1 4.42Å; L84-L110 HydrophobicContact CD1-CD2 3.99Å; I94-L110 HydrophobicContact CG1-CB 4.33Å; N95-L110 WeakPolarHBondContact O-CA 3.33Å; L96-L110 HydrophobicContact CB-CD2 4.34Å; L96-L110 HydrophobicContact CD1-CD2 3.74Å; L108-L110 HydrophobicContact CB-CD2 4.04Å; L108-L110 HydrophobicContact CB-CG 4.14Å; L110-Y112 PolarHBondContact O-N 2.9Å
111E98.3Very high96.4Very high58 Ų5835.8 Ų35.827%0.27121%0.208SC..EExtended strand (participates in β ladder)trans-46139.5162.7175.9-178.4-16900110.4I94 N95 K176I94-E111 HydrophobicContact CD1-CB 3.78Å; I94-E111 HydrophobicContact CD1-CG 4.06Å; I94-E111 WeakPolarHBondContact CD1-O 3.47Å; I94-E111 HydrophobicContact CG1-CB 4.16Å; N95-E111 HydrophobicContact CB-CB 4.15Å; N95-E111 PolarHBondContact N-OE2 3.26Å; N95-E111 PolarHBondContact O-N 3.38Å; E111-K176 VanDerWaalsContact CD-NZ 3.27Å; E111-K176 WeakPolarHBondContact OE1-CE 3.4Å; E111-K176 IonicContact OE1-NZ 3.76Å; E111-K176 PolarHBondContact OE1-NZ 2.98Å; E111-K176 WeakPolarHBondContact OE2-CE 3.29Å; E111-K176 IonicContact OE2-NZ 3.79Å; E111-K176 PolarHBondContact OE2-NZ 3.41Å
112Y98.3Very high96.4Very high41 Ų4135.3 Ų35.316%0.16121%0.207CC..  trans-94.6109.4176.6178-123.9000110.4K37 L39 Q49 E58 L110 A114K37-Y112 PolarHBondContact NZ-OH 3.1Å; L39-Y112 HydrophobicContact CD1-CD2 3.88Å; L39-Y112 HydrophobicContact CD1-CE2 3.72Å; L39-Y112 HydrophobicContact CD2-CE2 3.8Å; L39-Y112 HydrophobicContact CG-CE2 4.43Å; Q49-Y112 HydrophobicContact CG-CE2 4.33Å; E58-Y112 HydrophobicContact CB-CD1 3.92Å; E58-Y112 HydrophobicContact CB-CG 4.49Å; E58-Y112 WeakPolarHBondContact OE2-CD1 3.4Å; E58-Y112 WeakPolarHBondContact OE2-CE1 3.43Å; L110-Y112 PolarHBondContact O-N 2.9Å; Y112-A114 HydrophobicContact CD1-CB 4.15Å; Y112-A114 HydrophobicContact CE1-CB 3.67Å; Y112-A114 PolarHBondContact O-N 3.02Å
113A97.6Very high96.4Very high9 Ų935 Ų357%0.07421%0.205CC..  trans-86.596.217300000109.7I94 G115 G116 L165 L166 K176I94-A113 HydrophobicContact CD1-CB 4.34Å; A113-G115 VanDerWaalsContact C-N 3.3Å; A113-G115 PolarHBondContact O-N 2.94Å; A113-G116 PolarHBondContact O-N 3.2Å; A113-L165 HydrophobicContact CB-CB 3.6Å; A113-L165 HydrophobicContact CB-CD1 3.88Å; A113-L165 HydrophobicContact CB-CG 4.42Å; A113-L166 CarbonylContact C-O 3.52Å; A113-L166 VanDerWaalsContact C-O 3.31Å; A113-L166 WeakPolarHBondContact CB-O 3.38Å; A113-K176 HydrophobicContact CB-CB 4.46Å; A113-K176 HydrophobicContact CB-CG 4.3Å
114A96.7Very high96.3Very high54 Ų5432.4 Ų32.445%0.44619%0.19SC..THydrogen-bonded Turntrans-72.5-19.8-168.400000114.3Y112 G116 S167Y112-A114 HydrophobicContact CD1-CB 4.15Å; Y112-A114 HydrophobicContact CE1-CB 3.67Å; Y112-A114 PolarHBondContact O-N 3.02Å; A114-G116 PolarHBondContact O-N 3.22Å; A114-S167 PolarHBondContact N-O 3.23Å
115G96.1Very high96.1Very high9 Ų936.1 Ų36.19%0.09320%0.199CC..THydrogen-bonded Turntrans-72.7-9.817800000114.4A113 L166 S167A113-G115 VanDerWaalsContact C-N 3.3Å; A113-G115 PolarHBondContact O-N 2.94Å; G115-L166 WeakPolarHBondContact CA-O 3.35Å; G115-L166 PolarHBondContact N-O 2.98Å; G115-S167 PolarHBondContact N-O 3.13Å
116G96.1Very high95.7Very high28 Ų2835.9 Ų35.929%0.28920%0.199SC..EExtended strand (participates in β ladder)trans73.4-161.8178.600000112.9A113 A114 L165 L166A113-G116 PolarHBondContact O-N 3.2Å; A114-G116 PolarHBondContact O-N 3.22Å; G116-L165 CarbonylContact O-C 3.58Å; G116-L165 WeakPolarHBondContact O-CA 3.43Å; G116-L166 PolarHBondContact O-N 3.28Å
117E96.6Very high95Very high65 Ų6537.5 Ų37.530%0.30421%0.213SC..EExtended strand (participates in β ladder)trans-75.2138.7-175.2-60.5174.4-164.700112F119 N120 Q162 L165E117-F119 HydrophobicContact CB-CB 4.11Å; E117-F119 PolarHBondContact O-N 3.18Å; E117-N120 PolarHBondContact O-N 3Å; E117-N120 PolarHBondContact O-ND2 3.5Å; E117-Q162 WeakPolarHBondContact OE2-CG 3.39Å; E117-L165 HydrophobicContact CB-CD2 4.29Å; E117-L165 HydrophobicContact CG-CD2 3.72Å
118I97.3Very high94.2Very high0 Ų046.7 Ų46.70%026%0.256CS..G310 helixtrans-64.7-20.2171.4-149.1179.6000111.1N120 L121 L138 I142 P161 I164 L166 I175 L228I118-N120 PolarHBondContact O-N 3.41Å; I118-N120 VanDerWaalsContact O-N 3.14Å; I118-L121 HydrophobicContact CG1-CD1 3.87Å; I118-L121 HydrophobicContact CG1-CG 4.28Å; I118-L121 WeakPolarHBondContact O-CA 3.48Å; I118-L121 VanDerWaalsContact O-CB 3.28Å; I118-L121 WeakPolarHBondContact O-CB 3.43Å; I118-L121 PolarHBondContact O-N 2.82Å; I118-L138 HydrophobicContact CD1-CB 4.2Å; I118-L138 HydrophobicContact CD1-CD1 4.08Å; I118-L138 HydrophobicContact CD1-CD2 4.37Å; I118-L138 HydrophobicContact CD1-CG 4.44Å; I118-I142 HydrophobicContact CD1-CD1 4.31Å; I118-P161 HydrophobicContact CG2-CB 3.89Å; I118-P161 WeakPolarHBondContact CG2-O 3.27Å; I118-I164 HydrophobicContact CB-CB 4.38Å; I118-I164 HydrophobicContact CB-CG2 4.26Å; I118-I164 WeakPolarHBondContact CB-O 3.49Å; I118-I164 HydrophobicContact CD1-CG2 4.24Å; I118-I164 HydrophobicContact CG2-CB 3.77Å; I118-I164 HydrophobicContact CG2-CG2 4.03Å; I118-I164 PolarHBondContact N-O 2.71Å; I118-L166 HydrophobicContact CG1-CD1 4.43Å; I118-L166 HydrophobicContact CG1-CD2 4.44Å; I118-L166 HydrophobicContact CG1-CG 4.49Å; I118-I175 HydrophobicContact CD1-CG2 4.34Å; I118-L228 HydrophobicContact CD1-CD1 4.11Å; I118-L228 HydrophobicContact CD1-CD2 4.3Å; I118-L228 HydrophobicContact CG1-CD2 4.15Å
119F96.7Very high93.5Very high58 Ų5851.8 Ų51.825%0.25428%0.281SS..G310 helixtrans-50.3-35.4171.8-179.1-104.3000113E117 L121 C122 L123 P161 Q162 M227E117-F119 HydrophobicContact CB-CB 4.11Å; E117-F119 PolarHBondContact O-N 3.18Å; F119-L121 PolarHBondContact O-N 3.45Å; F119-C122 WeakPolarHBondContact O-CB 3.39Å; F119-C122 PolarHBondContact O-N 3.18Å; F119-L123 HydrophobicContact CE1-CD2 4.01Å; F119-L123 HydrophobicContact CZ-CD2 4.15Å; F119-P161 HydrophobicContact CB-CB 3.73Å; F119-P161 HydrophobicContact CD2-CB 3.96Å; F119-P161 HydrophobicContact CD2-CG 4.42Å; F119-P161 HydrophobicContact CG-CB 4.35Å; F119-P161 PolarHBondContact N-O 2.82Å; F119-Q162 HydrophobicContact CB-CG 4.07Å; F119-Q162 HydrophobicContact CD2-CG 4.34Å; F119-Q162 VanDerWaalsContact CE2-NE2 3.32Å; F119-Q162 HydrophobicContact CG-CG 4.08Å; F119-M227 HydrophobicContact CD2-CE 4.45Å; F119-M227 HydrophobicContact CE2-CE 4.16Å
120N94.8Very high93Very high66 Ų6652.8 Ų52.835%0.35329%0.287SS..G310 helixtrans-60.2-35.1177-62.6-50.3000111.4E117 I118 C122 L123 L126E117-N120 PolarHBondContact O-N 3Å; E117-N120 PolarHBondContact O-ND2 3.5Å; I118-N120 PolarHBondContact O-N 3.41Å; I118-N120 VanDerWaalsContact O-N 3.14Å; N120-C122 PolarHBondContact O-N 3.04Å; N120-L123 WeakPolarHBondContact O-CB 3.33Å; N120-L123 PolarHBondContact O-N 3.22Å; N120-L123 VanDerWaalsContact O-N 3.16Å; N120-L126 HydrophobicContact CB-CD1 4.07Å; N120-L126 VanDerWaalsContact O-CD1 3.25Å; N120-L126 WeakPolarHBondContact O-CD1 3.41Å
121L95.9Very high92.8Very high4 Ų454.6 Ų54.62%0.02130%0.301CS..G310 helixtrans-69.9-17.1176.8-56-169.2000113.3I118 F119 L123 V130 L138 L166 I169 L172 L228I118-L121 HydrophobicContact CG1-CD1 3.87Å; I118-L121 HydrophobicContact CG1-CG 4.28Å; I118-L121 WeakPolarHBondContact O-CA 3.48Å; I118-L121 VanDerWaalsContact O-CB 3.28Å; I118-L121 WeakPolarHBondContact O-CB 3.43Å; I118-L121 PolarHBondContact O-N 2.82Å; F119-L121 PolarHBondContact O-N 3.45Å; L121-L123 VanDerWaalsContact C-N 3.27Å; L121-V130 HydrophobicContact CB-CG2 4.14Å; L121-V130 HydrophobicContact CD1-CG2 4.13Å; L121-V130 HydrophobicContact CD2-CG2 3.76Å; L121-V130 HydrophobicContact CG-CG2 4.23Å; L121-L138 HydrophobicContact CD1-CD1 3.8Å; L121-L166 HydrophobicContact CD1-CD1 3.9Å; L121-L166 HydrophobicContact CG-CD1 4.22Å; L121-I169 HydrophobicContact CD2-CD1 3.67Å; L121-L172 HydrophobicContact CD1-CD1 3.98Å; L121-L228 HydrophobicContact CB-CD2 3.83Å
122C95.6Very high92.6Very high5 Ų554.8 Ų54.83%0.03430%0.302CS..G310 helixtrans-82.8-4.7174.7-530000112.5F119 N120 M227 H231F119-C122 WeakPolarHBondContact O-CB 3.39Å; F119-C122 PolarHBondContact O-N 3.18Å; N120-C122 PolarHBondContact O-N 3.04Å; C122-M227 HydrophobicContact CB-CB 4.11Å; C122-M227 HydrophobicContact CB-CE 4.23Å; C122-H231 CarbonylContact O-C 3.55Å; C122-H231 WeakPolarHBondContact O-CA 3.4Å; C122-H231 WeakPolarHBondContact O-CB 3.44Å
123L93.8Very high92.4Very high56 Ų5657.1 Ų57.129%0.29332%0.317SS..SBendtrans-84.1137.2-178.3-62.4179000110.6F119 N120 L121 E125 L126 H231F119-L123 HydrophobicContact CE1-CD2 4.01Å; F119-L123 HydrophobicContact CZ-CD2 4.15Å; N120-L123 WeakPolarHBondContact O-CB 3.33Å; N120-L123 PolarHBondContact O-N 3.22Å; N120-L123 VanDerWaalsContact O-N 3.16Å; L121-L123 VanDerWaalsContact C-N 3.27Å; L123-E125 WeakPolarHBondContact CB-OE2 3.34Å; L123-E125 PolarHBondContact O-N 2.65Å; L123-E125 VanDerWaalsContact O-N 3.07Å; L123-L126 PolarHBondContact O-N 3.06Å; L123-H231 PolarHBondContact O-CD2 2.9Å
124P89.9Confident92.3Very high84 Ų8458.6 Ų58.655%0.54532%0.324SS..G310 helixtrans-54.8-30.2-178.6-26.834.7000114.1L126 A127 H231P124-L126 PolarHBondContact O-N 2.76Å; P124-A127 WeakPolarHBondContact O-CB 3.43Å; P124-A127 PolarHBondContact O-N 2.68Å; P124-H231 HydrophobicContact CG-CB 4.1Å
125E89.2Confident92.4Very high151 Ų15156.1 Ų56.171%0.70630%0.303SS*.G310 helixtrans-65.1-19.2179.5-61.379.7-174.900113.6L123L123-E125 WeakPolarHBondContact CB-OE2 3.34Å; L123-E125 PolarHBondContact O-N 2.65Å; L123-E125 VanDerWaalsContact O-N 3.07Å
126L85.9Confident92.5Very high42 Ų4256 Ų5622%0.2230%0.301CS..G310 helixtrans-109.66.2-179.8-66.1179.4000113.2N120 L123 P124 E128 M129N120-L126 HydrophobicContact CB-CD1 4.07Å; N120-L126 VanDerWaalsContact O-CD1 3.25Å; N120-L126 WeakPolarHBondContact O-CD1 3.41Å; L123-L126 PolarHBondContact O-N 3.06Å; P124-L126 PolarHBondContact O-N 2.76Å; L126-E128 VanDerWaalsContact C-N 3.3Å; L126-E128 PolarHBondContact O-N 3.18Å; L126-M129 HydrophobicContact CD2-CE 3.92Å; L126-M129 HydrophobicContact CD2-CG 4.33Å; L126-M129 HydrophobicContact CD2-SD 3.42Å; L126-M129 WeakPolarHBondContact CD2-SD 3.5Å; L126-M129 WeakPolarHBondContact O-CB 3.31Å; L126-M129 PolarHBondContact O-N 3.37Å
127A82.1Confident92.6Very high35 Ų3558.1 Ų58.129%0.28930%0.3SS..G310 helixtrans-58-39-178.500000113.4P124 M129 H231P124-A127 WeakPolarHBondContact O-CB 3.43Å; P124-A127 PolarHBondContact O-N 2.68Å; A127-M129 PolarHBondContact O-N 2.83Å; A127-H231 VanDerWaalsContact CA-NE2 3.29Å; A127-H231 WeakPolarHBondContact CA-NE2 3.44Å; A127-H231 VanDerWaalsContact CB-CE1 3.42Å; A127-H231 WeakPolarHBondContact CB-CE1 3.5Å; A127-H231 WeakPolarHBondContact CB-NE2 3.46Å
128E82.9Confident92.7Very high200 Ų20055 Ų5594%0.93529%0.285SS*.G310 helixtrans-71.5-11.2179.2-62.1-170.315800113.5L126L126-E128 VanDerWaalsContact C-N 3.3Å; L126-E128 PolarHBondContact O-N 3.18Å
129M82.4Confident92.7Very high106 Ų10655 Ų5552%0.52229%0.285SS..G310 helixtrans-95.9-11.2-176.1-57.5-166.7179.900113.7L126 A127 Y170L126-M129 HydrophobicContact CD2-CE 3.92Å; L126-M129 HydrophobicContact CD2-CG 4.33Å; L126-M129 HydrophobicContact CD2-SD 3.42Å; L126-M129 WeakPolarHBondContact CD2-SD 3.5Å; L126-M129 WeakPolarHBondContact O-CB 3.31Å; L126-M129 PolarHBondContact O-N 3.37Å; A127-M129 PolarHBondContact O-N 2.83Å; M129-Y170 HydrophobicContact SD-CE1 4.45Å; M129-Y170 PolarHBondContact SD-OH 3.01Å
130V89.2Confident92.8Very high21 Ų2155.9 Ų55.913%0.12729%0.289CS..  trans-122.7114.9-173.6-1730000109.2L121 D134 V135L121-V130 HydrophobicContact CB-CG2 4.14Å; L121-V130 HydrophobicContact CD1-CG2 4.13Å; L121-V130 HydrophobicContact CD2-CG2 3.76Å; L121-V130 HydrophobicContact CG-CG2 4.23Å; V130-D134 HydrophobicContact CG1-CB 3.84Å; V130-V135 HydrophobicContact CG1-CG2 3.78Å
131S93.6Very high93Very high55 Ų5553.3 Ų53.339%0.38528%0.275SS..  trans-81.5161.2175.169.60000111.6N133 D134 V135S131-N133 PolarHBondContact O-N 2.76Å; S131-D134 WeakPolarHBondContact CB-OD2 3.39Å; S131-D134 PolarHBondContact N-OD2 2.72Å; S131-D134 WeakPolarHBondContact O-CA 3.45Å; S131-D134 WeakPolarHBondContact O-CB 3.41Å; S131-D134 PolarHBondContact O-N 3.36Å; S131-D134 VanDerWaalsContact OG-CG 3.3Å; S131-D134 PolarHBondContact OG-N 3.42Å; S131-D134 PolarHBondContact OG-OD2 2.9Å; S131-V135 PolarHBondContact O-N 2.91Å
132E94.5Very high93.2Very high61 Ų6153.1 Ų53.129%0.28527%0.274SS..Hα-helixtrans-58-33.3171.9-171.3177.7176.400111.8D134 V135 I136 L229 S263 W292E132-D134 VanDerWaalsContact C-N 3.32Å; E132-D134 PolarHBondContact O-N 3.18Å; E132-V135 PolarHBondContact O-N 3.35Å; E132-I136 HydrophobicContact CG-CD1 4.1Å; E132-I136 HydrophobicContact CG-CG1 4.49Å; E132-I136 WeakPolarHBondContact O-CG1 3.47Å; E132-I136 PolarHBondContact O-N 3.17Å; E132-L229 HydrophobicContact CG-CD2 4.19Å; E132-S263 VanDerWaalsContact OE1-CB 3.29Å; E132-S263 WeakPolarHBondContact OE1-CB 3.39Å; E132-S263 PolarHBondContact OE1-OG 3.22Å; E132-W292 PolarHBondContact OE1-NE1 2.85Å
133N94.3Very high93.3Very high91 Ų9152.9 Ų52.949%0.48727%0.272SS..Hα-helixtrans-63.6-38.1174.8-67.6-2.1000111.9S131 I136 R137 Q295S131-N133 PolarHBondContact O-N 2.76Å; N133-I136 PolarHBondContact O-N 3.3Å; N133-R137 WeakPolarHBondContact O-CB 3.26Å; N133-R137 PolarHBondContact O-N 2.76Å; N133-Q295 PolarHBondContact OD1-NE2 3.42Å; N133-Q295 PolarHBondContact OD1-OE1 3.34Å; N133-Q295 VanDerWaalsContact OD1-OE1 3.1Å
134D95.8Very high93.6Very high39 Ų3953.2 Ų53.221%0.20927%0.272CS..Hα-helixtrans-63.6-45.8172.7-66.7-56.8000110.5V130 S131 E132 I136 R137 L138 L172V130-D134 HydrophobicContact CG1-CB 3.84Å; S131-D134 WeakPolarHBondContact CB-OD2 3.39Å; S131-D134 PolarHBondContact N-OD2 2.72Å; S131-D134 WeakPolarHBondContact O-CA 3.45Å; S131-D134 WeakPolarHBondContact O-CB 3.41Å; S131-D134 PolarHBondContact O-N 3.36Å; S131-D134 VanDerWaalsContact OG-CG 3.3Å; S131-D134 PolarHBondContact OG-N 3.42Å; S131-D134 PolarHBondContact OG-OD2 2.9Å; E132-D134 VanDerWaalsContact C-N 3.32Å; E132-D134 PolarHBondContact O-N 3.18Å; D134-I136 PolarHBondContact O-N 3.1Å; D134-R137 PolarHBondContact O-N 2.76Å; D134-R137 IonicContact OD1-NH2 3.94Å; D134-L138 WeakPolarHBondContact O-CB 3.29Å; D134-L138 WeakPolarHBondContact O-CG 3.45Å; D134-L138 PolarHBondContact O-N 3.07Å; D134-L172 HydrophobicContact CB-CD2 3.67Å
135V97.6Very high94Very high3 Ų349.2 Ų49.22%0.01825%0.246CC..Hα-helixtrans-60-45.6177.1-178.70000111.3V130 S131 E132 R137 L138 V139 L228 L229 W292V130-V135 HydrophobicContact CG1-CG2 3.78Å; S131-V135 PolarHBondContact O-N 2.91Å; E132-V135 PolarHBondContact O-N 3.35Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.24Å; V135-L138 PolarHBondContact O-N 3.25Å; V135-V139 HydrophobicContact CG1-CG2 4.05Å; V135-V139 WeakPolarHBondContact O-CB 3.31Å; V135-V139 WeakPolarHBondContact O-CG2 3.25Å; V135-V139 PolarHBondContact O-N 3.26Å; V135-L228 HydrophobicContact CG1-CB 3.84Å; V135-L228 HydrophobicContact CG1-CD1 4.2Å; V135-L228 HydrophobicContact CG2-CB 4.15Å; V135-L229 HydrophobicContact CB-CD2 4.23Å; V135-L229 HydrophobicContact CG1-CD2 4.03Å; V135-L229 HydrophobicContact CG1-CG 4.03Å; V135-L229 HydrophobicContact CG2-CD2 4.21Å; V135-W292 HydrophobicContact CG1-CH2 3.99Å; V135-W292 HydrophobicContact CG1-CZ2 4.14Å
136I98.1Very high94.4Very high7 Ų742 Ų424%0.03621%0.212CC..Hα-helixtrans-57.1-48.6176.6-75.4163.4000110.6E132 N133 D134 L138 K140 W292 L293 Q295E132-I136 HydrophobicContact CG-CD1 4.1Å; E132-I136 HydrophobicContact CG-CG1 4.49Å; E132-I136 WeakPolarHBondContact O-CG1 3.47Å; E132-I136 PolarHBondContact O-N 3.17Å; N133-I136 PolarHBondContact O-N 3.3Å; D134-I136 PolarHBondContact O-N 3.1Å; I136-L138 PolarHBondContact O-N 2.72Å; I136-K140 VanDerWaalsContact O-CB 3.23Å; I136-K140 WeakPolarHBondContact O-CB 3.49Å; I136-K140 PolarHBondContact O-N 3.36Å; I136-W292 WeakPolarHBondContact CD1-O 3.43Å; I136-W292 HydrophobicContact CG1-CD2 4.07Å; I136-W292 VanDerWaalsContact CG1-CE2 3.46Å; I136-W292 HydrophobicContact CG1-CG 4.43Å; I136-W292 HydrophobicContact CG1-CH2 4.48Å; I136-W292 HydrophobicContact CG1-CZ2 3.7Å; I136-L293 HydrophobicContact CB-CD2 4.47Å; I136-L293 HydrophobicContact CG2-CD2 4.01Å; I136-Q295 HydrophobicContact CD1-CG 4.03Å; I136-Q295 HydrophobicContact CG2-CG 4.38Å
137R97.9Very high95.1Very high72 Ų7243.5 Ų43.527%0.27222%0.216SC..Hα-helixtrans-60.3-47.8177.8-177.9178.960.7790.6111N133 D134 V135 K140 Q141 L172 G173 D174N133-R137 WeakPolarHBondContact O-CB 3.26Å; N133-R137 PolarHBondContact O-N 2.76Å; D134-R137 PolarHBondContact O-N 2.76Å; D134-R137 IonicContact OD1-NH2 3.94Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 3.24Å; R137-K140 PolarHBondContact O-N 2.98Å; R137-Q141 VanDerWaalsContact O-CG 3.26Å; R137-Q141 WeakPolarHBondContact O-CG 3.48Å; R137-Q141 PolarHBondContact O-N 3.41Å; R137-L172 VanDerWaalsContact NH2-CG 3.34Å; R137-L172 PolarHBondContact NH2-O 2.96Å; R137-G173 PolarHBondContact NH1-O 3.44Å; R137-G173 PolarHBondContact NH2-O 3.09Å; R137-D174 IonicContact NH1-OD1 2.81Å
138L98.6Very high95.8Very high0 Ų044.5 Ų44.50%021%0.212CC..Hα-helixtrans-63.2-47.7-179.1-67.5168.7000111.6I118 L121 D134 V135 I136 K140 Q141 I142 L166 L172 I175I118-L138 HydrophobicContact CD1-CB 4.2Å; I118-L138 HydrophobicContact CD1-CD1 4.08Å; I118-L138 HydrophobicContact CD1-CD2 4.37Å; I118-L138 HydrophobicContact CD1-CG 4.44Å; L121-L138 HydrophobicContact CD1-CD1 3.8Å; D134-L138 WeakPolarHBondContact O-CB 3.29Å; D134-L138 WeakPolarHBondContact O-CG 3.45Å; D134-L138 PolarHBondContact O-N 3.07Å; V135-L138 PolarHBondContact O-N 3.25Å; I136-L138 PolarHBondContact O-N 2.72Å; L138-K140 PolarHBondContact O-N 3.34Å; L138-Q141 PolarHBondContact O-N 2.88Å; L138-I142 VanDerWaalsContact O-CG1 3.26Å; L138-I142 WeakPolarHBondContact O-CG1 3.37Å; L138-I142 PolarHBondContact O-N 3.03Å; L138-L166 HydrophobicContact CD2-CD2 3.63Å; L138-L172 HydrophobicContact CD1-CD2 4.05Å; L138-I175 HydrophobicContact CB-CG2 4.32Å; L138-I175 HydrophobicContact CD2-CG2 3.42Å; L138-I175 VanDerWaalsContact CD2-CG2 3.42Å; L138-I175 HydrophobicContact CG-CG2 4.48Å
139V98.8Very high96.6Very high0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-63.3-41.4177.8173.10000111.4V135 Q141 I142 L143 I221 A225 L228 F269 W292 L293V135-V139 HydrophobicContact CG1-CG2 4.05Å; V135-V139 WeakPolarHBondContact O-CB 3.31Å; V135-V139 WeakPolarHBondContact O-CG2 3.25Å; V135-V139 PolarHBondContact O-N 3.26Å; V139-Q141 VanDerWaalsContact C-N 3.33Å; V139-Q141 PolarHBondContact O-N 3.25Å; V139-I142 PolarHBondContact O-N 3.18Å; V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 WeakPolarHBondContact O-CG 3.44Å; V139-L143 PolarHBondContact O-N 3.15Å; V139-I221 HydrophobicContact CG1-CG2 4.32Å; V139-A225 HydrophobicContact CG2-CB 4.14Å; V139-L228 HydrophobicContact CG2-CD1 4.31Å; V139-F269 HydrophobicContact CG1-CE1 3.87Å; V139-F269 HydrophobicContact CG1-CZ 3.82Å; V139-W292 HydrophobicContact CB-CH2 4.35Å; V139-W292 HydrophobicContact CB-CZ3 4.2Å; V139-W292 HydrophobicContact CG1-CZ3 3.96Å; V139-W292 HydrophobicContact CG2-CH2 4.08Å; V139-W292 HydrophobicContact CG2-CZ3 4.3Å; V139-L293 HydrophobicContact CG1-CD2 4.38Å
140K98.7Very high97.3Very high76 Ų7631 Ų3133%0.3315%0.148SC..Hα-helixtrans-58.8-44.9173.6-177.4175.1-179.3172.50111.6I136 R137 L138 I142 L143 E144 L288 L293I136-K140 VanDerWaalsContact O-CB 3.23Å; I136-K140 WeakPolarHBondContact O-CB 3.49Å; I136-K140 PolarHBondContact O-N 3.36Å; R137-K140 PolarHBondContact O-N 2.98Å; L138-K140 PolarHBondContact O-N 3.34Å; K140-I142 PolarHBondContact O-N 3.32Å; K140-L143 WeakPolarHBondContact O-CB 3.32Å; K140-L143 PolarHBondContact O-N 3.19Å; K140-E144 WeakPolarHBondContact O-CG 3.42Å; K140-E144 PolarHBondContact O-N 2.88Å; K140-L288 HydrophobicContact CG-CD2 4.07Å; K140-L293 HydrophobicContact CB-CD1 4.46Å
141Q98.8Very high97.7Very high11 Ų1135.6 Ų35.65%0.05117%0.168CC..Hα-helixtrans-66.2-36.4177.4-70.4-172.12.500113R92 R137 L138 V139 E144 G145 D174 I175R92-Q141 WeakPolarHBondContact CG-O 3.28Å; R92-Q141 VanDerWaalsContact CZ-CD 3.45Å; R92-Q141 VanDerWaalsContact CZ-CG 3.46Å; R92-Q141 VanDerWaalsContact NH1-CD 3.32Å; R137-Q141 VanDerWaalsContact O-CG 3.26Å; R137-Q141 WeakPolarHBondContact O-CG 3.48Å; R137-Q141 PolarHBondContact O-N 3.41Å; L138-Q141 PolarHBondContact O-N 2.88Å; V139-Q141 VanDerWaalsContact C-N 3.33Å; V139-Q141 PolarHBondContact O-N 3.25Å; Q141-E144 PolarHBondContact O-N 2.89Å; Q141-G145 PolarHBondContact O-N 3.19Å; Q141-G145 VanDerWaalsContact O-N 3.12Å; Q141-D174 PolarHBondContact NE2-OD1 2.91Å; Q141-I175 HydrophobicContact CB-CD1 4.34Å; Q141-I175 HydrophobicContact CB-CG1 3.42Å; Q141-I175 VanDerWaalsContact CB-CG1 3.42Å
142I98.9Very high97.8Very high0 Ų035.4 Ų35.40%016%0.163CC..Hα-helixtrans-62.1-47.2173-66162.8000109.6I118 L138 V139 K140 E144 G145 V146 I164 I175 I221 I224I118-I142 HydrophobicContact CD1-CD1 4.31Å; L138-I142 VanDerWaalsContact O-CG1 3.26Å; L138-I142 WeakPolarHBondContact O-CG1 3.37Å; L138-I142 PolarHBondContact O-N 3.03Å; V139-I142 PolarHBondContact O-N 3.18Å; K140-I142 PolarHBondContact O-N 3.32Å; I142-E144 VanDerWaalsContact C-N 3.35Å; I142-E144 PolarHBondContact O-N 3.24Å; I142-G145 PolarHBondContact O-N 3.48Å; I142-V146 HydrophobicContact CG2-CG2 4.31Å; I142-V146 WeakPolarHBondContact O-CG2 3.42Å; I142-V146 PolarHBondContact O-N 3.09Å; I142-I164 HydrophobicContact CD1-CD1 3.7Å; I142-I164 HydrophobicContact CD1-CG2 4.26Å; I142-I164 HydrophobicContact CG1-CD1 3.95Å; I142-I164 HydrophobicContact CG1-CG2 4.16Å; I142-I164 HydrophobicContact CG2-CD1 4.11Å; I142-I175 HydrophobicContact CG1-CD1 4.17Å; I142-I175 HydrophobicContact CG1-CG1 4.16Å; I142-I175 HydrophobicContact CG1-CG2 4.38Å; I142-I221 HydrophobicContact CG2-CG1 4.03Å; I142-I224 HydrophobicContact CD1-CG2 4.07Å
143L98.9Very high97.8Very high0 Ų036.6 Ų36.60%017%0.171CC..Hα-helixtrans-60.2-40.4176-76.8165.7000112.7V139 K140 G145 V146 Y147 M218 I221 F269 A284 C287 L288 L293V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 WeakPolarHBondContact O-CG 3.44Å; V139-L143 PolarHBondContact O-N 3.15Å; K140-L143 WeakPolarHBondContact O-CB 3.32Å; K140-L143 PolarHBondContact O-N 3.19Å; L143-G145 VanDerWaalsContact C-N 3.32Å; L143-G145 PolarHBondContact O-N 3.21Å; L143-V146 PolarHBondContact O-N 3.46Å; L143-Y147 WeakPolarHBondContact O-CB 3.11Å; L143-Y147 PolarHBondContact O-N 2.9Å; L143-M218 HydrophobicContact CD2-CE 3.75Å; L143-I221 HydrophobicContact CD2-CD1 3.86Å; L143-I221 HydrophobicContact CD2-CG2 4.31Å; L143-I221 HydrophobicContact CG-CG2 4.45Å; L143-F269 HydrophobicContact CD1-CE2 4.18Å; L143-F269 HydrophobicContact CD1-CZ 3.96Å; L143-A284 HydrophobicContact CD2-CB 4.18Å; L143-C287 HydrophobicContact CD1-CB 3.79Å; L143-C287 HydrophobicContact CD2-CB 3.55Å; L143-C287 HydrophobicContact CG-CB 4.34Å; L143-L288 HydrophobicContact CB-CD2 3.63Å; L143-L288 HydrophobicContact CB-CG 3.92Å; L143-L288 HydrophobicContact CD1-CD2 4.44Å; L143-L293 HydrophobicContact CD1-CD1 3.3Å
144E98.8Very high97.9Very high63 Ų6332.3 Ų32.329%0.29415%0.148SC..Hα-helixtrans-58.4-44.2174.4-74.5167.6-179.100111.5R92 K140 Q141 I142 Y148 L288R92-E144 HydrophobicContact CG-CB 4.02Å; R92-E144 IonicContact CZ-OE2 3.6Å; R92-E144 IonicContact NE-OE2 2.69Å; R92-E144 PolarHBondContact NE-OE2 3.3Å; R92-E144 IonicContact NH2-OE2 3.95Å; R92-E144 PolarHBondContact NH2-OE2 3.09Å; K140-E144 WeakPolarHBondContact O-CG 3.42Å; K140-E144 PolarHBondContact O-N 2.88Å; Q141-E144 PolarHBondContact O-N 2.89Å; I142-E144 VanDerWaalsContact C-N 3.35Å; I142-E144 PolarHBondContact O-N 3.24Å; E144-Y148 PolarHBondContact O-N 3.42Å; E144-Y148 VanDerWaalsContact O-N 3.12Å; E144-L288 HydrophobicContact CG-CD2 3.98Å
145G98.8Very high97.9Very high0 Ų030.4 Ų30.40%014%0.138CC..Hα-helixtrans-65.8-47.4176.400000112.6Q141 I142 L143 Y148 L149Q141-G145 PolarHBondContact O-N 3.19Å; Q141-G145 VanDerWaalsContact O-N 3.12Å; I142-G145 PolarHBondContact O-N 3.48Å; L143-G145 VanDerWaalsContact C-N 3.32Å; L143-G145 PolarHBondContact O-N 3.21Å; G145-Y148 WeakPolarHBondContact O-CB 3.33Å; G145-Y148 PolarHBondContact O-N 2.93Å; G145-L149 WeakPolarHBondContact O-CG 3.04Å; G145-L149 PolarHBondContact O-N 3.41Å; G145-L149 VanDerWaalsContact O-N 3.07Å
146V98.8Very high97.8Very high0 Ų030.3 Ų30.30%014%0.137CC..Hα-helixtrans-66.7-40.1179.9173.20000111.6I142 L143 Y148 L149 H150 L159 I177 D217 M218 I221 A284I142-V146 HydrophobicContact CG2-CG2 4.31Å; I142-V146 WeakPolarHBondContact O-CG2 3.42Å; I142-V146 PolarHBondContact O-N 3.09Å; L143-V146 PolarHBondContact O-N 3.46Å; V146-Y148 VanDerWaalsContact C-N 3.34Å; V146-Y148 PolarHBondContact O-N 3.1Å; V146-L149 PolarHBondContact O-N 3.24Å; V146-H150 WeakPolarHBondContact CG1-CE1 3.1Å; V146-H150 VanDerWaalsContact CG1-NE2 3.32Å; V146-H150 WeakPolarHBondContact CG1-NE2 3.44Å; V146-H150 WeakPolarHBondContact O-CB 3.44Å; V146-H150 PolarHBondContact O-CD2 3.44Å; V146-H150 VanDerWaalsContact O-CG 3.27Å; V146-H150 PolarHBondContact O-N 2.8Å; V146-L159 HydrophobicContact CG2-CD1 3.66Å; V146-I177 HydrophobicContact CG2-CD1 4.04Å; V146-D217 HydrophobicContact CG1-CB 4.18Å; V146-M218 HydrophobicContact CG1-SD 4.32Å; V146-I221 HydrophobicContact CB-CD1 4.1Å; V146-I221 HydrophobicContact CG1-CD1 3.95Å; V146-I221 HydrophobicContact CG2-CD1 4.01Å; V146-A284 HydrophobicContact CG1-CB 4.39Å
147Y98.8Very high97.7Very high73 Ų7331 Ų3129%0.28614%0.141SC..Hα-helixtrans-56.6-47.5172171.1-110.5000111.2L143 L149 H150 Q151 E285 L288L143-Y147 WeakPolarHBondContact O-CB 3.11Å; L143-Y147 PolarHBondContact O-N 2.9Å; Y147-L149 VanDerWaalsContact C-N 3.32Å; Y147-L149 PolarHBondContact O-N 3.18Å; Y147-H150 PolarHBondContact O-N 2.9Å; Y147-Q151 HydrophobicContact CD2-CG 3.95Å; Y147-Q151 HydrophobicContact CE1-CG 4.13Å; Y147-Q151 HydrophobicContact CE2-CG 3.47Å; Y147-Q151 VanDerWaalsContact CE2-CG 3.47Å; Y147-Q151 HydrophobicContact CG-CG 4.44Å; Y147-Q151 VanDerWaalsContact O-CG 3.29Å; Y147-Q151 WeakPolarHBondContact O-CG 3.23Å; Y147-Q151 PolarHBondContact O-N 3.36Å; Y147-Q151 PolarHBondContact OH-NE2 3.29Å; Y147-E285 HydrophobicContact CD2-CB 3.93Å; Y147-E285 HydrophobicContact CE2-CB 3.82Å; Y147-E285 HydrophobicContact CE2-CG 4.15Å; Y147-L288 HydrophobicContact CD1-CD1 4.4Å; Y147-L288 HydrophobicContact CG-CD1 4.18Å
148Y98.7Very high97.6Very high56 Ų5628.3 Ų28.322%0.2213%0.132CC..Hα-helixtrans-57.7-44.6176-178.9-80.8000112L86 A87 S89 C90 E144 G145 V146 N152L86-Y148 PolarHBondContact O-OH 3.01Å; A87-Y148 HydrophobicContact CB-CE1 4.27Å; S89-Y148 PolarHBondContact OG-OH 3.43Å; C90-Y148 HydrophobicContact CB-CD1 3.75Å; C90-Y148 HydrophobicContact CB-CD2 3.94Å; C90-Y148 HydrophobicContact CB-CE1 4.02Å; C90-Y148 HydrophobicContact CB-CE2 4.15Å; C90-Y148 HydrophobicContact CB-CG 3.72Å; E144-Y148 PolarHBondContact O-N 3.42Å; E144-Y148 VanDerWaalsContact O-N 3.12Å; G145-Y148 WeakPolarHBondContact O-CB 3.33Å; G145-Y148 PolarHBondContact O-N 2.93Å; V146-Y148 VanDerWaalsContact C-N 3.34Å; V146-Y148 PolarHBondContact O-N 3.1Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.38Å; Y148-N152 PolarHBondContact O-N 2.88Å; Y148-N152 PolarHBondContact O-ND2 3.27Å
149L98.4Very high97.5Very high3 Ų328.3 Ų28.32%0.01613%0.132CC..Hα-helixtrans-62.9-46.9177.9-65.7172000111.4A87 V93 G145 V146 Y147 Q151 N152 N153 I154 F180A87-L149 HydrophobicContact CB-CD2 4.4Å; V93-L149 HydrophobicContact CG2-CD2 4.4Å; G145-L149 WeakPolarHBondContact O-CG 3.04Å; G145-L149 PolarHBondContact O-N 3.41Å; G145-L149 VanDerWaalsContact O-N 3.07Å; V146-L149 PolarHBondContact O-N 3.24Å; Y147-L149 VanDerWaalsContact C-N 3.32Å; Y147-L149 PolarHBondContact O-N 3.18Å; L149-Q151 PolarHBondContact O-N 2.89Å; L149-N152 CarbonylContact O-C 3.56Å; L149-N152 WeakPolarHBondContact O-CA 3.16Å; L149-N152 WeakPolarHBondContact O-CB 3.42Å; L149-N152 PolarHBondContact O-N 3.07Å; L149-N153 PolarHBondContact O-N 3.23Å; L149-I154 CarbonylContact C-O 3.39Å; L149-I154 VanDerWaalsContact C-O 3.27Å; L149-I154 HydrophobicContact CB-CB 4.3Å; L149-I154 HydrophobicContact CD2-CB 4.46Å; L149-I154 HydrophobicContact CD2-CG2 4.29Å; L149-I154 PolarHBondContact O-N 3.05Å; L149-F180 HydrophobicContact CD1-CE1 3.76Å; L149-F180 HydrophobicContact CD1-CZ 4.32Å; L149-F180 HydrophobicContact CD2-CE1 3.75Å; L149-F180 HydrophobicContact CD2-CZ 4.36Å; L149-F180 HydrophobicContact CG-CE1 4.43Å
150H97.8Very high97.4Very high21 Ų2129.7 Ų29.710%0.09714%0.138CC..Hα-helixtrans-63.6-39.5-178.6-70.5-173.5000112V146 Y147 N152 N153 I154 T214 D217V146-H150 WeakPolarHBondContact CG1-CE1 3.1Å; V146-H150 VanDerWaalsContact CG1-NE2 3.32Å; V146-H150 WeakPolarHBondContact CG1-NE2 3.44Å; V146-H150 WeakPolarHBondContact O-CB 3.44Å; V146-H150 PolarHBondContact O-CD2 3.44Å; V146-H150 VanDerWaalsContact O-CG 3.27Å; V146-H150 PolarHBondContact O-N 2.8Å; Y147-H150 PolarHBondContact O-N 2.9Å; H150-N152 PolarHBondContact O-N 3.32Å; H150-N153 WeakPolarHBondContact O-CA 3.25Å; H150-N153 PolarHBondContact O-N 3.44Å; H150-I154 PolarHBondContact CD2-O 3.43Å; H150-T214 HydrophobicContact CB-CG2 4Å; H150-T214 PolarHBondContact CE1-O 2.9Å; H150-T214 VanDerWaalsContact CE1-O 3.22Å; H150-D217 IonicContact CD2-OD2 3.73Å; H150-D217 IonicContact CE1-OD2 3.38Å; H150-D217 IonicContact NE2-OD2 2.79Å; H150-D217 PolarHBondContact NE2-OD2 2.96Å
151Q97.4Very high97.4Very high116 Ų11626.1 Ų26.154%0.54212%0.122SC..Hα-helixtrans-63.2-24.3173.6-69.3-64.975.900113Y147 L149 N153Y147-Q151 HydrophobicContact CD2-CG 3.95Å; Y147-Q151 HydrophobicContact CE1-CG 4.13Å; Y147-Q151 HydrophobicContact CE2-CG 3.47Å; Y147-Q151 VanDerWaalsContact CE2-CG 3.47Å; Y147-Q151 HydrophobicContact CG-CG 4.44Å; Y147-Q151 VanDerWaalsContact O-CG 3.29Å; Y147-Q151 WeakPolarHBondContact O-CG 3.23Å; Y147-Q151 PolarHBondContact O-N 3.36Å; Y147-Q151 PolarHBondContact OH-NE2 3.29Å; L149-Q151 PolarHBondContact O-N 2.89Å; Q151-N153 VanDerWaalsContact C-N 3.32Å
152N95.5Very high97.2Very high51 Ų5127.8 Ų27.827%0.27313%0.13SC..THydrogen-bonded Turntrans-9311.2173.3-75.3-79000113.1L86 Y148 L149 H150 I154L86-N152 HydrophobicContact CD2-CB 3.97Å; L86-N152 HydrophobicContact CG-CB 4.47Å; Y148-N152 WeakPolarHBondContact CE1-ND2 3.38Å; Y148-N152 PolarHBondContact O-N 2.88Å; Y148-N152 PolarHBondContact O-ND2 3.27Å; L149-N152 CarbonylContact O-C 3.56Å; L149-N152 WeakPolarHBondContact O-CA 3.16Å; L149-N152 WeakPolarHBondContact O-CB 3.42Å; L149-N152 PolarHBondContact O-N 3.07Å; H150-N152 PolarHBondContact O-N 3.32Å; N152-I154 HydrophobicContact CB-CG1 4.4Å; N152-I154 PolarHBondContact O-N 2.97Å
153N94.4Very high97.2Very high86 Ų8628.5 Ų28.546%0.4613%0.134SC..THydrogen-bonded Turntrans58.528.1-176.2-54.9-86.1000113.7L149 H150 Q151 K185 I186L149-N153 PolarHBondContact O-N 3.23Å; H150-N153 WeakPolarHBondContact O-CA 3.25Å; H150-N153 PolarHBondContact O-N 3.44Å; Q151-N153 VanDerWaalsContact C-N 3.32Å; N153-K185 HydrophobicContact CB-CG 4.43Å; N153-K185 CarbonylContact O-C 3.36Å; N153-K185 VanDerWaalsContact O-CA 3.24Å; N153-K185 WeakPolarHBondContact O-CA 3.39Å; N153-I186 PolarHBondContact O-N 2.85Å
154I95.8Very high97.2Very high1 Ų128.5 Ų28.51%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-102.3131.1175-57.7-57.7000108.7V83 L86 L149 H150 N152 K185V83-I154 HydrophobicContact CG1-CG2 4.05Å; V83-I154 HydrophobicContact CG2-CD1 4.3Å; L86-I154 HydrophobicContact CD2-CD1 4.43Å; L86-I154 HydrophobicContact CD2-CG1 4.02Å; L149-I154 CarbonylContact C-O 3.39Å; L149-I154 VanDerWaalsContact C-O 3.27Å; L149-I154 HydrophobicContact CB-CB 4.3Å; L149-I154 HydrophobicContact CD2-CB 4.46Å; L149-I154 HydrophobicContact CD2-CG2 4.29Å; L149-I154 PolarHBondContact O-N 3.05Å; H150-I154 PolarHBondContact CD2-O 3.43Å; N152-I154 HydrophobicContact CB-CG1 4.4Å; N152-I154 PolarHBondContact O-N 2.97Å; I154-K185 HydrophobicContact CD1-CB 4.03Å; I154-K185 HydrophobicContact CD1-CG 4.27Å
155V95.9Very high97.1Very high0 Ų027.1 Ų27.10%013%0.128CC..EExtended strand (participates in β ladder)trans-114.5136.2169.5-179.30000108.6L157 S183 R184 I186 T214 D217V155-L157 HydrophobicContact CB-CD2 4.33Å; V155-L157 HydrophobicContact CB-CG 4.4Å; V155-L157 HydrophobicContact CG1-CD2 3.37Å; V155-L157 HydrophobicContact CG1-CG 3.83Å; V155-S183 CarbonylContact O-C 3.42Å; V155-S183 WeakPolarHBondContact O-CA 3.21Å; V155-S183 VanDerWaalsContact O-CB 3.29Å; V155-S183 WeakPolarHBondContact O-CB 3Å; V155-R184 PolarHBondContact N-O 3.5Å; V155-R184 PolarHBondContact O-N 3.05Å; V155-I186 HydrophobicContact CB-CD1 3.97Å; V155-I186 HydrophobicContact CB-CG1 4.3Å; V155-I186 HydrophobicContact CG2-CD1 3.15Å; V155-I186 HydrophobicContact CG2-CG1 3.7Å; V155-T214 HydrophobicContact CG2-CG2 3.59Å; V155-D217 WeakPolarHBondContact CA-OD2 3.42Å; V155-D217 HydrophobicContact CG1-CB 4.49Å; V155-D217 VanDerWaalsContact CG1-CG 3.47Å; V155-D217 WeakPolarHBondContact CG1-OD1 3.38Å; V155-D217 VanDerWaalsContact CG1-OD2 3.27Å; V155-D217 WeakPolarHBondContact CG1-OD2 3.37Å
156H97Very high97.1Very high0 Ų027.1 Ų27.10%013%0.128CC..  trans-78.9-43.2-169.9-173.6-81.1000112.5D158 L159 V178 D179 F180 M182 S183 D217H156-D158 PolarHBondContact CE1-O 2.88Å; H156-D158 VanDerWaalsContact ND1-C 3.27Å; H156-D158 PolarHBondContact ND1-N 3.45Å; H156-D158 PolarHBondContact O-N 3.36Å; H156-L159 HydrophobicContact CB-CD1 4.36Å; H156-L159 HydrophobicContact CB-CD2 4.24Å; H156-L159 HydrophobicContact CB-CG 3.88Å; H156-L159 PolarHBondContact ND1-N 3.13Å; H156-V178 PolarHBondContact NE2-O 3.23Å; H156-D179 PolarHBondContact CE1-O 3.4Å; H156-D179 PolarHBondContact NE2-O 3.42Å; H156-F180 AromaticContact CD2-CD1 3.75Å; H156-F180 AromaticContact CD2-CE1 3.62Å; H156-M182 CarbonylContact O-C 3.31Å; H156-S183 WeakPolarHBondContact O-CA 3.4Å; H156-S183 PolarHBondContact O-N 3.29Å; H156-D217 PolarHBondContact N-OD1 2.84Å; H156-D217 PolarHBondContact N-OD2 3.14Å
157L95Very high97.1Very high22 Ų2229.2 Ų29.212%0.11514%0.143CC..SBendtrans65.6-6.6174.7-55.2178.7000117.7V155 M182 R184 L192 I212 T216 D217V155-L157 HydrophobicContact CB-CD2 4.33Å; V155-L157 HydrophobicContact CB-CG 4.4Å; V155-L157 HydrophobicContact CG1-CD2 3.37Å; V155-L157 HydrophobicContact CG1-CG 3.83Å; L157-M182 HydrophobicContact CB-CB 4.48Å; L157-R184 HydrophobicContact CD1-CB 4.01Å; L157-R184 HydrophobicContact CD1-CG 3.66Å; L157-L192 HydrophobicContact CD1-CD2 3.72Å; L157-I212 HydrophobicContact CD1-CD1 4.4Å; L157-I212 HydrophobicContact CD1-CG2 4.06Å; L157-I212 HydrophobicContact CD2-CG2 3.3Å; L157-I212 HydrophobicContact CG-CG2 4.3Å; L157-T216 HydrophobicContact CD2-CG2 3.96Å; L157-D217 PolarHBondContact N-OD1 3.24Å
158D94.9Very high97Very high15 Ų1527.5 Ų27.58%0.0814%0.142CC..  trans-131.640.5170.8-164.232.1000111H156 K160 N163 M182H156-D158 PolarHBondContact CE1-O 2.88Å; H156-D158 VanDerWaalsContact ND1-C 3.27Å; H156-D158 PolarHBondContact ND1-N 3.45Å; H156-D158 PolarHBondContact O-N 3.36Å; D158-K160 PolarHBondContact O-N 3.2Å; D158-K160 IonicContact OD1-NZ 2.8Å; D158-K160 PolarHBondContact OD1-NZ 2.75Å; D158-K160 IonicContact OD2-NZ 2.74Å; D158-K160 PolarHBondContact OD2-NZ 2.84Å; D158-N163 VanDerWaalsContact CG-ND2 3.34Å; D158-N163 PolarHBondContact O-ND2 2.89Å; D158-N163 PolarHBondContact OD2-ND2 3.45Å; D158-M182 HydrophobicContact CB-CB 3.88Å; D158-M182 HydrophobicContact CB-CG 3.78Å
159L97.7Very high96.6Very high1 Ų127.6 Ų27.61%0.00515%0.146CC..  trans-71.8117.6172.8-76177.1000109.3V146 H156 I177 D217 N220 I221 I224V146-L159 HydrophobicContact CG2-CD1 3.66Å; H156-L159 HydrophobicContact CB-CD1 4.36Å; H156-L159 HydrophobicContact CB-CD2 4.24Å; H156-L159 HydrophobicContact CB-CG 3.88Å; H156-L159 PolarHBondContact ND1-N 3.13Å; L159-I177 HydrophobicContact CD2-CG2 4.1Å; L159-D217 HydrophobicContact CD1-CB 3.74Å; L159-N220 HydrophobicContact CB-CB 3.56Å; L159-N220 WeakPolarHBondContact O-CB 3.41Å; L159-N220 VanDerWaalsContact O-CG 3.29Å; L159-N220 PolarHBondContact O-ND2 3.31Å; L159-I221 HydrophobicContact CD1-CG1 4.43Å; L159-I224 HydrophobicContact CB-CD1 4.48Å
160K96.8Very high96.2Very high29 Ų2935.2 Ų35.213%0.12618%0.175CC..  trans-152.7160.3175.959.4-174176.7-132.20108.3D158 Q162 N163 Y201D158-K160 PolarHBondContact O-N 3.2Å; D158-K160 IonicContact OD1-NZ 2.8Å; D158-K160 PolarHBondContact OD1-NZ 2.75Å; D158-K160 IonicContact OD2-NZ 2.74Å; D158-K160 PolarHBondContact OD2-NZ 2.84Å; K160-Q162 VanDerWaalsContact CD-OE1 3.3Å; K160-Q162 HydrophobicContact CG-CB 4.33Å; K160-Q162 PolarHBondContact O-N 3.37Å; K160-N163 WeakPolarHBondContact CE-ND2 3.47Å; K160-N163 HydrophobicContact CG-CB 4.1Å; K160-N163 PolarHBondContact O-N 2.96Å; K160-Y201 HydrophobicContact CB-CD2 3.42Å; K160-Y201 VanDerWaalsContact CB-CD2 3.42Å; K160-Y201 HydrophobicContact CB-CE2 3.55Å; K160-Y201 HydrophobicContact CB-CG 4.01Å; K160-Y201 HydrophobicContact CD-CD2 3.94Å; K160-Y201 HydrophobicContact CD-CE2 4.01Å; K160-Y201 HydrophobicContact CG-CD2 4.33Å; K160-Y201 HydrophobicContact CG-CE2 4.38Å
161P97.6Very high96Very high0 Ų039.4 Ų39.40%021%0.205CC..G310 helixtrans-57.3-27.4-178.4-23.833.2000113.7I118 F119 N163 I164 I224 M227I118-P161 HydrophobicContact CG2-CB 3.89Å; I118-P161 WeakPolarHBondContact CG2-O 3.27Å; F119-P161 HydrophobicContact CB-CB 3.73Å; F119-P161 HydrophobicContact CD2-CB 3.96Å; F119-P161 HydrophobicContact CD2-CG 4.42Å; F119-P161 HydrophobicContact CG-CB 4.35Å; F119-P161 PolarHBondContact N-O 2.82Å; P161-N163 VanDerWaalsContact C-N 3.26Å; P161-N163 PolarHBondContact O-N 3.16Å; P161-I164 PolarHBondContact O-N 3.32Å; P161-I224 HydrophobicContact CG-CG1 4.1Å; P161-M227 HydrophobicContact CG-CE 4.29Å; P161-M227 HydrophobicContact CG-SD 3.85Å
162Q96Very high95.9Very high47 Ų4735.7 Ų35.722%0.2219%0.188CC..G310 helixtrans-71.1-21.7176.8-56.1831.600113.1E117 F119 K160E117-Q162 WeakPolarHBondContact OE2-CG 3.39Å; F119-Q162 HydrophobicContact CB-CG 4.07Å; F119-Q162 HydrophobicContact CD2-CG 4.34Å; F119-Q162 VanDerWaalsContact CE2-NE2 3.32Å; F119-Q162 HydrophobicContact CG-CG 4.08Å; K160-Q162 VanDerWaalsContact CD-OE1 3.3Å; K160-Q162 HydrophobicContact CG-CB 4.33Å; K160-Q162 PolarHBondContact O-N 3.37Å
163N97.6Very high95.9Very high14 Ų1433.7 Ų33.78%0.07518%0.179CC..G310 helixtrans-99.515.7179.7-74.7-11.2000113.1D158 K160 P161 V178D158-N163 VanDerWaalsContact CG-ND2 3.34Å; D158-N163 PolarHBondContact O-ND2 2.89Å; D158-N163 PolarHBondContact OD2-ND2 3.45Å; K160-N163 WeakPolarHBondContact CE-ND2 3.47Å; K160-N163 HydrophobicContact CG-CB 4.1Å; K160-N163 PolarHBondContact O-N 2.96Å; P161-N163 VanDerWaalsContact C-N 3.26Å; P161-N163 PolarHBondContact O-N 3.16Å; N163-V178 HydrophobicContact CB-CG2 4.28Å; N163-V178 VanDerWaalsContact O-CG2 3.29Å; N163-V178 WeakPolarHBondContact O-CG2 3.39Å; N163-V178 PolarHBondContact O-N 3.05Å
164I98.6Very high96.1Very high0 Ų032.8 Ų32.80%018%0.175CC..EExtended strand (participates in β ladder)trans-126.4114.6172.6-59.1172.4000106.7I118 I142 P161 I175 I224I118-I164 HydrophobicContact CB-CB 4.38Å; I118-I164 HydrophobicContact CB-CG2 4.26Å; I118-I164 WeakPolarHBondContact CB-O 3.49Å; I118-I164 HydrophobicContact CD1-CG2 4.24Å; I118-I164 HydrophobicContact CG2-CB 3.77Å; I118-I164 HydrophobicContact CG2-CG2 4.03Å; I118-I164 PolarHBondContact N-O 2.71Å; I142-I164 HydrophobicContact CD1-CD1 3.7Å; I142-I164 HydrophobicContact CD1-CG2 4.26Å; I142-I164 HydrophobicContact CG1-CD1 3.95Å; I142-I164 HydrophobicContact CG1-CG2 4.16Å; I142-I164 HydrophobicContact CG2-CD1 4.11Å; P161-I164 PolarHBondContact O-N 3.32Å; I164-I175 HydrophobicContact CG2-CB 3.93Å; I164-I175 HydrophobicContact CG2-CG2 4.18Å; I164-I224 HydrophobicContact CD1-CD1 3.53Å
165L98.5Very high96.3Very high34 Ų3432.8 Ų32.818%0.17817%0.174CC..EExtended strand (participates in β ladder)trans-101164.6-179-51.7-173.2000111.3A113 G116 E117 I175 K176 V178A113-L165 HydrophobicContact CB-CB 3.6Å; A113-L165 HydrophobicContact CB-CD1 3.88Å; A113-L165 HydrophobicContact CB-CG 4.42Å; G116-L165 CarbonylContact O-C 3.58Å; G116-L165 WeakPolarHBondContact O-CA 3.43Å; E117-L165 HydrophobicContact CB-CD2 4.29Å; E117-L165 HydrophobicContact CG-CD2 3.72Å; L165-I175 CarbonylContact O-C 3.38Å; L165-I175 VanDerWaalsContact O-CA 3.23Å; L165-I175 WeakPolarHBondContact O-CA 3.38Å; L165-K176 HydrophobicContact CB-CB 4.36Å; L165-K176 PolarHBondContact N-O 3.37Å; L165-K176 PolarHBondContact O-N 3.43Å; L165-V178 HydrophobicContact CD1-CG1 3.68Å; L165-V178 HydrophobicContact CD1-CG2 4.32Å; L165-V178 HydrophobicContact CD2-CG2 4.38Å; L165-V178 HydrophobicContact CG-CG1 3.81Å; L165-V178 HydrophobicContact CG-CG2 3.97Å
166L98.4Very high96.4Very high0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-112.1140.4174.6-65.9164.6000110.3A113 G115 G116 I118 L121 L138 S168 I169 L172 D174 I175A113-L166 CarbonylContact C-O 3.52Å; A113-L166 VanDerWaalsContact C-O 3.31Å; A113-L166 WeakPolarHBondContact CB-O 3.38Å; G115-L166 WeakPolarHBondContact CA-O 3.35Å; G115-L166 PolarHBondContact N-O 2.98Å; G116-L166 PolarHBondContact O-N 3.28Å; I118-L166 HydrophobicContact CG1-CD1 4.43Å; I118-L166 HydrophobicContact CG1-CD2 4.44Å; I118-L166 HydrophobicContact CG1-CG 4.49Å; L121-L166 HydrophobicContact CD1-CD1 3.9Å; L121-L166 HydrophobicContact CG-CD1 4.22Å; L138-L166 HydrophobicContact CD2-CD2 3.63Å; L166-S168 VanDerWaalsContact C-N 3.27Å; L166-S168 PolarHBondContact O-N 3.48Å; L166-I169 HydrophobicContact CD1-CD1 4.16Å; L166-L172 HydrophobicContact CD1-CD1 3.79Å; L166-L172 HydrophobicContact CD2-CD1 4.12Å; L166-D174 CarbonylContact C-O 3.27Å; L166-D174 WeakPolarHBondContact CA-O 3.16Å; L166-I175 HydrophobicContact CD2-CG2 4.16Å
167S97.7Very high96.5Very high45 Ų4533.8 Ų33.832%0.31518%0.179SC..SBendtrans-64.4-35.1173.9650000112A114 G115 G173 D174A114-S167 PolarHBondContact N-O 3.23Å; G115-S167 PolarHBondContact N-O 3.13Å; S167-G173 WeakPolarHBondContact OG-CA 3.27Å; S167-D174 PolarHBondContact N-O 3.34Å; S167-D174 PolarHBondContact OG-N 3.46Å
168S96.3Very high96.6Very high37 Ų3733.7 Ų33.726%0.25918%0.179SC..  trans-152.9154.9176.456.70000110.2L166 P171 G173L166-S168 VanDerWaalsContact C-N 3.27Å; L166-S168 PolarHBondContact O-N 3.48Å; S168-P171 CarbonylContact C-O 3.55Å; S168-P171 WeakPolarHBondContact CB-O 3.36Å; S168-P171 PolarHBondContact OG-O 2.86Å; S168-G173 PolarHBondContact O-N 3.35Å; S168-G173 VanDerWaalsContact OG-CA 3.25Å; S168-G173 WeakPolarHBondContact OG-CA 3.29Å; S168-G173 PolarHBondContact OG-N 3.18Å
169I92.3Very high96.6Very high57 Ų5735.5 Ų35.529%0.29219%0.189SC..THydrogen-bonded Turntrans-102.6-31173.6-172.266000111.8L121 L166 P171 L172L121-I169 HydrophobicContact CD2-CD1 3.67Å; L166-I169 HydrophobicContact CD1-CD1 4.16Å; I169-P171 CarbonylContact C-O 3.55Å; I169-P171 CarbonylContact O-C 3.54Å; I169-L172 HydrophobicContact CD1-CD1 4.17Å; I169-L172 PolarHBondContact O-N 2.9Å
170Y89.5Confident96.5Very high163 Ų16335.5 Ų35.564%0.63919%0.189SC*.THydrogen-bonded Turntrans-132.1109.2175.8-61.9-69.1000111M129M129-Y170 HydrophobicContact SD-CE1 4.45Å; M129-Y170 PolarHBondContact SD-OH 3.01Å
171P92.8Very high96.3Very high110 Ų11035 Ų3571%0.71419%0.192SC*.THydrogen-bonded Turncis-63.2163.4-13.531.3-36000111.5S168 I169 G173S168-P171 CarbonylContact C-O 3.55Å; S168-P171 WeakPolarHBondContact CB-O 3.36Å; S168-P171 PolarHBondContact OG-O 2.86Å; I169-P171 CarbonylContact C-O 3.55Å; I169-P171 CarbonylContact O-C 3.54Å; P171-G173 PolarHBondContact O-N 3.22Å; P171-G173 VanDerWaalsContact O-N 3.16Å
172L95.2Very high96Very high38 Ų3837 Ų3720%0.19920%0.202CC..THydrogen-bonded Turntrans-63.7116.9-180-175.763.5000110.4L121 D134 R137 L138 L166 I169L121-L172 HydrophobicContact CD1-CD1 3.98Å; D134-L172 HydrophobicContact CB-CD2 3.67Å; R137-L172 VanDerWaalsContact NH2-CG 3.34Å; R137-L172 PolarHBondContact NH2-O 2.96Å; L138-L172 HydrophobicContact CD1-CD2 4.05Å; L166-L172 HydrophobicContact CD1-CD1 3.79Å; L166-L172 HydrophobicContact CD2-CD1 4.12Å; I169-L172 HydrophobicContact CD1-CD1 4.17Å; I169-L172 PolarHBondContact O-N 2.9Å
173G96.9Very high95.9Very high8 Ų834.7 Ų34.78%0.08219%0.191CC..  trans-87.2-161.4-172.400000114.4R137 S167 S168 P171R137-G173 PolarHBondContact NH1-O 3.44Å; R137-G173 PolarHBondContact NH2-O 3.09Å; S167-G173 WeakPolarHBondContact OG-CA 3.27Å; S168-G173 PolarHBondContact O-N 3.35Å; S168-G173 VanDerWaalsContact OG-CA 3.25Å; S168-G173 WeakPolarHBondContact OG-CA 3.29Å; S168-G173 PolarHBondContact OG-N 3.18Å; P171-G173 PolarHBondContact O-N 3.22Å; P171-G173 VanDerWaalsContact O-N 3.16Å
174D98.3Very high95.7Very high68 Ų6834.5 Ų34.536%0.36419%0.189SC..  trans-91.3153178.2-79.4-8.2000111.7R92 R137 Q141 L166 S167R92-D174 VanDerWaalsContact NH1-CG 3.28Å; R92-D174 IonicContact NH1-OD1 2.89Å; R92-D174 IonicContact NH1-OD2 2.79Å; R92-D174 PolarHBondContact NH1-OD2 2.93Å; R137-D174 IonicContact NH1-OD1 2.81Å; Q141-D174 PolarHBondContact NE2-OD1 2.91Å; L166-D174 CarbonylContact C-O 3.27Å; L166-D174 WeakPolarHBondContact CA-O 3.16Å; S167-D174 PolarHBondContact N-O 3.34Å; S167-D174 PolarHBondContact OG-N 3.46Å
175I98.7Very high95.3Very high0 Ų038.3 Ų38.30%021%0.206CC..EExtended strand (participates in β ladder)trans-77.1153178.169.993.3000112.8R92 I118 L138 Q141 I142 I164 L165 L166 I177R92-I175 HydrophobicContact CB-CD1 3.86Å; R92-I175 HydrophobicContact CG-CD1 4.49Å; I118-I175 HydrophobicContact CD1-CG2 4.34Å; L138-I175 HydrophobicContact CB-CG2 4.32Å; L138-I175 HydrophobicContact CD2-CG2 3.42Å; L138-I175 VanDerWaalsContact CD2-CG2 3.42Å; L138-I175 HydrophobicContact CG-CG2 4.48Å; Q141-I175 HydrophobicContact CB-CD1 4.34Å; Q141-I175 HydrophobicContact CB-CG1 3.42Å; Q141-I175 VanDerWaalsContact CB-CG1 3.42Å; I142-I175 HydrophobicContact CG1-CD1 4.17Å; I142-I175 HydrophobicContact CG1-CG1 4.16Å; I142-I175 HydrophobicContact CG1-CG2 4.38Å; I164-I175 HydrophobicContact CG2-CB 3.93Å; I164-I175 HydrophobicContact CG2-CG2 4.18Å; L165-I175 CarbonylContact O-C 3.38Å; L165-I175 VanDerWaalsContact O-CA 3.23Å; L165-I175 WeakPolarHBondContact O-CA 3.38Å; L166-I175 HydrophobicContact CD2-CG2 4.16Å; I175-I177 HydrophobicContact CD1-CG1 3.97Å
176K98.8Very high94.6Very high22 Ų2239.1 Ų39.110%0.09621%0.21CC..EExtended strand (participates in β ladder)trans-136111171.5-62.5-68179.7161.70110P91 R92 I94 E111 A113 L165P91-K176 WeakPolarHBondContact O-CD 3.35Å; P91-K176 WeakPolarHBondContact O-CE 3.24Å; P91-K176 PolarHBondContact O-NZ 3.44Å; R92-K176 CarbonylContact O-C 3.51Å; R92-K176 WeakPolarHBondContact O-CA 3.14Å; I94-K176 HydrophobicContact CD1-CB 3.88Å; I94-K176 HydrophobicContact CD1-CD 4.37Å; I94-K176 HydrophobicContact CD1-CG 4.08Å; E111-K176 VanDerWaalsContact CD-NZ 3.27Å; E111-K176 WeakPolarHBondContact OE1-CE 3.4Å; E111-K176 IonicContact OE1-NZ 3.76Å; E111-K176 PolarHBondContact OE1-NZ 2.98Å; E111-K176 WeakPolarHBondContact OE2-CE 3.29Å; E111-K176 IonicContact OE2-NZ 3.79Å; E111-K176 PolarHBondContact OE2-NZ 3.41Å; A113-K176 HydrophobicContact CB-CB 4.46Å; A113-K176 HydrophobicContact CB-CG 4.3Å; L165-K176 HydrophobicContact CB-CB 4.36Å; L165-K176 PolarHBondContact N-O 3.37Å; L165-K176 PolarHBondContact O-N 3.43Å
177I98.8Very high93.3Very high0 Ų042.4 Ų42.40%024%0.244CC..EExtended strand (participates in β ladder)trans-71130.9172.3-59171.6000108.8R92 V93 I94 V146 L159 I175 F180R92-I177 PolarHBondContact O-N 2.87Å; V93-I177 HydrophobicContact CG2-CB 4.47Å; I94-I177 PolarHBondContact N-O 3.45Å; V146-I177 HydrophobicContact CG2-CD1 4.04Å; L159-I177 HydrophobicContact CD2-CG2 4.1Å; I175-I177 HydrophobicContact CD1-CG1 3.97Å; I177-F180 HydrophobicContact CG2-CZ 3.97Å
178V98.1Very high91.4Very high20 Ų2044.7 Ų44.712%0.12125%0.253CS..  trans-129.4167.3-177.9-61.50000111.9I94 H156 N163 L165I94-V178 HydrophobicContact CB-CG1 3.73Å; I94-V178 HydrophobicContact CD1-CG1 4.31Å; I94-V178 HydrophobicContact CG1-CG1 4.04Å; I94-V178 HydrophobicContact CG2-CB 4.39Å; I94-V178 HydrophobicContact CG2-CG1 3.88Å; H156-V178 PolarHBondContact NE2-O 3.23Å; N163-V178 HydrophobicContact CB-CG2 4.28Å; N163-V178 VanDerWaalsContact O-CG2 3.29Å; N163-V178 WeakPolarHBondContact O-CG2 3.39Å; N163-V178 PolarHBondContact O-N 3.05Å; L165-V178 HydrophobicContact CD1-CG1 3.68Å; L165-V178 HydrophobicContact CD1-CG2 4.32Å; L165-V178 HydrophobicContact CD2-CG2 4.38Å; L165-V178 HydrophobicContact CG-CG1 3.81Å; L165-V178 HydrophobicContact CG-CG2 3.97Å
179D94.9Very high89.4Confident53 Ų5348.9 Ų48.928%0.28329%0.289SS..  trans66.873172.1-154.23.4000116.5K62 H156 G181K62-D179 IonicContact NZ-OD1 2.91Å; K62-D179 PolarHBondContact NZ-OD1 3.4Å; K62-D179 IonicContact NZ-OD2 2.72Å; H156-D179 PolarHBondContact CE1-O 3.4Å; H156-D179 PolarHBondContact NE2-O 3.42Å; D179-G181 PolarHBondContact O-N 3.15Å
180F95.6Very high87.9Confident0 Ų048.8 Ų48.80%029%0.293CS..G310 helixtrans-8413.2178.4-65.7-91.1000114E80 V83 L84 V93 L149 H156 I177 M182 S183E80-F180 HydrophobicContact CG-CB 4.07Å; V83-F180 HydrophobicContact CB-CB 4.41Å; V83-F180 HydrophobicContact CG1-CB 4.08Å; V83-F180 HydrophobicContact CG1-CD1 3.38Å; V83-F180 HydrophobicContact CG1-CE1 3.94Å; V83-F180 HydrophobicContact CG1-CG 3.8Å; L84-F180 HydrophobicContact CD2-CD2 3.59Å; L84-F180 HydrophobicContact CD2-CE2 3.74Å; L84-F180 HydrophobicContact CG-CD2 4.19Å; V93-F180 HydrophobicContact CB-CZ 4.41Å; V93-F180 HydrophobicContact CG1-CE2 3.55Å; V93-F180 HydrophobicContact CG1-CZ 3.43Å; V93-F180 VanDerWaalsContact CG1-CZ 3.43Å; V93-F180 HydrophobicContact CG2-CZ 4.14Å; L149-F180 HydrophobicContact CD1-CE1 3.76Å; L149-F180 HydrophobicContact CD1-CZ 4.32Å; L149-F180 HydrophobicContact CD2-CE1 3.75Å; L149-F180 HydrophobicContact CD2-CZ 4.36Å; L149-F180 HydrophobicContact CG-CE1 4.43Å; H156-F180 AromaticContact CD2-CD1 3.75Å; H156-F180 AromaticContact CD2-CE1 3.62Å; I177-F180 HydrophobicContact CG2-CZ 3.97Å; F180-M182 PolarHBondContact O-N 2.97Å; F180-M182 VanDerWaalsContact O-N 3.15Å; F180-S183 WeakPolarHBondContact O-CB 3.41Å; F180-S183 PolarHBondContact O-N 2.75Å; F180-S183 PolarHBondContact O-OG 3.37Å
181G91.7Very high87Confident19 Ų1946.5 Ų46.520%0.19629%0.288CS..G310 helixtrans-63.5-21.4-177.400000114.2D179D179-G181 PolarHBondContact O-N 3.15Å
182M91.2Very high86.1Confident41 Ų4142.2 Ų42.220%0.20226%0.259CS..G310 helixtrans-99.7-9.6177.9-55.2-55.7-69.500112.8H156 L157 D158 F180 M196H156-M182 CarbonylContact O-C 3.31Å; L157-M182 HydrophobicContact CB-CB 4.48Å; D158-M182 HydrophobicContact CB-CB 3.88Å; D158-M182 HydrophobicContact CB-CG 3.78Å; F180-M182 PolarHBondContact O-N 2.97Å; F180-M182 VanDerWaalsContact O-N 3.15Å; M182-M196 HydrophobicContact CE-CB 3.11Å; M182-M196 HydrophobicContact CE-CE 3.63Å; M182-M196 HydrophobicContact CE-CG 3.69Å; M182-M196 HydrophobicContact CE-SD 3.13Å; M182-M196 WeakPolarHBondContact CE-SD 3.41Å; M182-M196 HydrophobicContact SD-CE 4.44Å; M182-M196 HydrophobicContact SD-SD 4.4Å
183S93.9Very high85.3Confident0 Ų046.7 Ų46.70%027%0.273CS..  trans-63.8155.9-173.971.80000111.6H79 V155 H156 F180H79-S183 PolarHBondContact NE2-O 2.87Å; H79-S183 PolarHBondContact NE2-OG 2.93Å; V155-S183 CarbonylContact O-C 3.42Å; V155-S183 WeakPolarHBondContact O-CA 3.21Å; V155-S183 VanDerWaalsContact O-CB 3.29Å; V155-S183 WeakPolarHBondContact O-CB 3Å; H156-S183 WeakPolarHBondContact O-CA 3.4Å; H156-S183 PolarHBondContact O-N 3.29Å; F180-S183 WeakPolarHBondContact O-CB 3.41Å; F180-S183 PolarHBondContact O-N 2.75Å; F180-S183 PolarHBondContact O-OG 3.37Å
184R92.5Very high84.3Confident10 Ų1050 Ų504%0.03829%0.287CS..EExtended strand (participates in β ladder)trans-144.4146179.3-62.9-70-175.7-97.7-0.9110.4E76 V155 L157 L192 E194E76-R184 IonicContact OE2-NH1 3.71Å; V155-R184 PolarHBondContact N-O 3.5Å; V155-R184 PolarHBondContact O-N 3.05Å; L157-R184 HydrophobicContact CD1-CB 4.01Å; L157-R184 HydrophobicContact CD1-CG 3.66Å; R184-L192 HydrophobicContact CB-CD1 4.2Å; R184-L192 HydrophobicContact CB-CD2 3.92Å; R184-L192 HydrophobicContact CG-CD1 3.7Å; R184-L192 HydrophobicContact CG-CD2 3.59Å; R184-L192 HydrophobicContact CG-CG 4.32Å; R184-E194 IonicContact NH2-OE2 3.93Å; R184-E194 PolarHBondContact NH2-OE2 3.22Å
185K90.4Very high83.4Confident79 Ų7950.3 Ų50.334%0.34329%0.288SS..EExtended strand (participates in β ladder)trans-82.9122168.6-172.3174.6-175.5173.10110.2G13 L15 N153 I154G13-K185 WeakPolarHBondContact O-CB 3.41Å; G13-K185 PolarHBondContact O-N 3.22Å; L15-K185 HydrophobicContact CD1-CD 3.84Å; N153-K185 HydrophobicContact CB-CG 4.43Å; N153-K185 CarbonylContact O-C 3.36Å; N153-K185 VanDerWaalsContact O-CA 3.24Å; N153-K185 WeakPolarHBondContact O-CA 3.39Å; I154-K185 HydrophobicContact CD1-CB 4.03Å; I154-K185 HydrophobicContact CD1-CG 4.27Å
186I85.3Confident82.3Confident51 Ų5153.3 Ų53.326%0.26230%0.303SS..  trans-85.2153.6174.1-59.7-163.3000109.9N153 V155 T214N153-I186 PolarHBondContact O-N 2.85Å; V155-I186 HydrophobicContact CB-CD1 3.97Å; V155-I186 HydrophobicContact CB-CG1 4.3Å; V155-I186 HydrophobicContact CG2-CD1 3.15Å; V155-I186 HydrophobicContact CG2-CG1 3.7Å; I186-T214 HydrophobicContact CD1-CG2 4.5Å
187G70.7Confident81.4Confident69 Ų6954.2 Ų54.271%0.71132%0.318SS*.  trans103.11.5174.600000115.5
188N58Low80.9Confident94 Ų9456.6 Ų56.650%0.50333%0.333SS..SBendtrans-80147.9164.8-73.8-21.4000109.7C190N188-C190 PolarHBondContact O-N 2.89Å
189A53.7Low80.6Confident125 Ų12557.1 Ų57.1100%1.03334%0.337SS*.SBendtrans-61.87.1-174.300000116.1
190C60.2Low80.5Confident55 Ų5556.6 Ų56.637%0.37233%0.332SS..SBendtrans-112.7122.3176.3-1710000109C8 N188 L192C8-C190 PolarHBondContact SG-SG 3.42Å; N188-C190 PolarHBondContact O-N 2.89Å; C190-L192 PolarHBondContact O-N 3.22Å
191E70.6Confident80.6Confident115 Ų11557 Ų5754%0.53733%0.334SS..  trans-62.3127171.4-65.8176.1173.800109.6R193 P211E191-R193 IonicContact OE2-CZ 3.96Å; E191-R193 IonicContact OE2-NE 2.74Å; E191-R193 PolarHBondContact OE2-NE 2.75Å; E191-R193 IonicContact OE2-NH2 2.63Å; E191-R193 PolarHBondContact OE2-NH2 2.81Å; E191-P211 HydrophobicContact CB-CB 4.33Å; E191-P211 HydrophobicContact CB-CG 4.41Å; E191-P211 HydrophobicContact CG-CB 4.33Å; E191-P211 HydrophobicContact CG-CG 4.19Å
192L74.3Confident80.8Confident20 Ų2056.4 Ų56.411%0.10533%0.326CS..  trans-83.3122.4173.9-171.199.4000108.5S12 L157 R184 C190 I212S12-L192 VanDerWaalsContact O-CD1 3.27Å; S12-L192 WeakPolarHBondContact O-CD1 3.13Å; L157-L192 HydrophobicContact CD1-CD2 3.72Å; R184-L192 HydrophobicContact CB-CD1 4.2Å; R184-L192 HydrophobicContact CB-CD2 3.92Å; R184-L192 HydrophobicContact CG-CD1 3.7Å; R184-L192 HydrophobicContact CG-CD2 3.59Å; R184-L192 HydrophobicContact CG-CG 4.32Å; C190-L192 PolarHBondContact O-N 3.22Å; L192-I212 HydrophobicContact CB-CB 4.4Å; L192-I212 HydrophobicContact CD2-CB 3.86Å; L192-I212 HydrophobicContact CD2-CD1 3.45Å; L192-I212 VanDerWaalsContact CD2-CD1 3.45Å; L192-I212 HydrophobicContact CD2-CG1 4.21Å; L192-I212 HydrophobicContact CD2-CG2 3.87Å; L192-I212 HydrophobicContact CG-CD1 4.19Å; L192-I212 PolarHBondContact O-N 3.25Å
193R78.3Confident81.1Confident131 Ų13154.5 Ų54.549%0.49432%0.317SS..  trans-137.7106.7177.5-61.9175-175.6-136.19108.3E191 Y209E191-R193 IonicContact OE2-CZ 3.96Å; E191-R193 IonicContact OE2-NE 2.74Å; E191-R193 PolarHBondContact OE2-NE 2.75Å; E191-R193 IonicContact OE2-NH2 2.63Å; E191-R193 PolarHBondContact OE2-NH2 2.81Å; R193-Y209 WeakPolarHBondContact CD-O 3.45Å; R193-Y209 PolarHBondContact NH1-O 2.62Å
194E75.5Confident81.2Confident79 Ų7954.5 Ų54.537%0.36932%0.317SS..  trans-149.8129.1-177.3-150.6172.7179.600109.8R184 M196R184-E194 IonicContact NH2-OE2 3.93Å; R184-E194 PolarHBondContact NH2-OE2 3.22Å; E194-M196 HydrophobicContact CB-CG 4.04Å; E194-M196 HydrophobicContact CB-SD 4.23Å; E194-M196 HydrophobicContact CG-CE 4.34Å; E194-M196 HydrophobicContact CG-CG 3.52Å; E194-M196 HydrophobicContact CG-SD 3.61Å; E194-M196 PolarHBondContact O-N 2.93Å; E194-M196 WeakPolarHBondContact OE1-CE 3.32Å
195I80.3Confident81.3Confident74 Ų7454.1 Ų54.138%0.37932%0.315SS..  trans-87.2106.8170.2-61.9-171.3000107.9L202 I206 Y209I195-L202 HydrophobicContact CG2-CD1 4.25Å; I195-I206 HydrophobicContact CB-CG2 4.39Å; I195-I206 HydrophobicContact CG1-CG2 4.14Å; I195-I206 HydrophobicContact CG2-CG2 4.48Å; I195-Y209 HydrophobicContact CD1-CD2 4.08Å; I195-Y209 HydrophobicContact CD1-CE1 4.25Å; I195-Y209 HydrophobicContact CD1-CE2 3.3Å; I195-Y209 WeakPolarHBondContact CD1-OH 3.16Å; I195-Y209 HydrophobicContact CG1-CE1 4.07Å; I195-Y209 HydrophobicContact CG1-CE2 3.98Å
196M75.5Confident81.5Confident63 Ų6350.7 Ų50.731%0.3130%0.301SS..  trans-148154.4175.6-38.7-180100.200110.6M182 E194 L202M182-M196 HydrophobicContact CE-CB 3.11Å; M182-M196 HydrophobicContact CE-CE 3.63Å; M182-M196 HydrophobicContact CE-CG 3.69Å; M182-M196 HydrophobicContact CE-SD 3.13Å; M182-M196 WeakPolarHBondContact CE-SD 3.41Å; M182-M196 HydrophobicContact SD-CE 4.44Å; M182-M196 HydrophobicContact SD-SD 4.4Å; E194-M196 HydrophobicContact CB-CG 4.04Å; E194-M196 HydrophobicContact CB-SD 4.23Å; E194-M196 HydrophobicContact CG-CE 4.34Å; E194-M196 HydrophobicContact CG-CG 3.52Å; E194-M196 HydrophobicContact CG-SD 3.61Å; E194-M196 PolarHBondContact O-N 2.93Å; E194-M196 WeakPolarHBondContact OE1-CE 3.32Å; M196-L202 WeakPolarHBondContact O-CD2 3.44Å
197G79.8Confident81.9Confident41 Ų4150 Ų5042%0.42330%0.297SS..SBendtrans118.3-178.1-178.800000112.2
198T88.1Confident82.9Confident49 Ų4950.8 Ų50.830%0.30129%0.286SS..  trans-81.7133.8172.4-51.70000109E200 Y201T198-E200 VanDerWaalsContact C-N 3.35Å; T198-E200 HydrophobicContact CG2-CG 4.23Å; T198-E200 PolarHBondContact O-N 3.36Å; T198-Y201 HydrophobicContact CG2-CD2 4.21Å; T198-Y201 HydrophobicContact CG2-CE2 4.27Å; T198-Y201 PolarHBondContact O-N 3.04Å
199P91.4Very high84.4Confident32 Ų3252.5 Ų52.521%0.20829%0.286CS..G310 helixtrans-46.7-47.8-173.1-33.737.6000115.7Y201 L202 T243 Y244 I247P199-Y201 PolarHBondContact O-N 3.35Å; P199-L202 PolarHBondContact O-N 3.49Å; P199-T243 HydrophobicContact CB-CG2 4.31Å; P199-Y244 HydrophobicContact CB-CE1 3.78Å; P199-I247 WeakPolarHBondContact O-CD1 3.47Å
200E94.8Very high86.2Confident41 Ų4149.9 Ų49.919%0.19225%0.254CS..G310 helixtrans-67.2-16.7-176.467.3-177.1100.200114.7T198 S233 V236 T243T198-E200 VanDerWaalsContact C-N 3.35Å; T198-E200 HydrophobicContact CG2-CG 4.23Å; T198-E200 PolarHBondContact O-N 3.36Å; E200-S233 WeakPolarHBondContact OE2-CB 3.45Å; E200-S233 PolarHBondContact OE2-OG 3.37Å; E200-V236 HydrophobicContact CB-CB 4.28Å; E200-T243 HydrophobicContact CB-CG2 4.06Å
201Y96.8Very high87.5Confident10 Ų1049.5 Ų49.54%0.03925%0.251CS..G310 helixtrans-102.2-0.4179.2-53.8-49.4000113K160 T198 P199 A203 N220 I223 M227K160-Y201 HydrophobicContact CB-CD2 3.42Å; K160-Y201 VanDerWaalsContact CB-CD2 3.42Å; K160-Y201 HydrophobicContact CB-CE2 3.55Å; K160-Y201 HydrophobicContact CB-CG 4.01Å; K160-Y201 HydrophobicContact CD-CD2 3.94Å; K160-Y201 HydrophobicContact CD-CE2 4.01Å; K160-Y201 HydrophobicContact CG-CD2 4.33Å; K160-Y201 HydrophobicContact CG-CE2 4.38Å; T198-Y201 HydrophobicContact CG2-CD2 4.21Å; T198-Y201 HydrophobicContact CG2-CE2 4.27Å; T198-Y201 PolarHBondContact O-N 3.04Å; P199-Y201 PolarHBondContact O-N 3.35Å; Y201-A203 PolarHBondContact O-N 3.28Å; Y201-N220 PolarHBondContact O-ND2 2.83Å; Y201-I223 HydrophobicContact CD1-CD1 4.27Å; Y201-I223 HydrophobicContact CD1-CG2 3.76Å; Y201-I223 HydrophobicContact CE1-CG2 3.89Å; Y201-M227 HydrophobicContact CE1-SD 3.75Å
202L95.9Very high88.4Confident6 Ų644.8 Ų44.83%0.03123%0.229CC..  trans-69.2136.4-179.7-61.4-176.3000110.9I195 M196 P199 I206 L207 W219 Y244 I247I195-L202 HydrophobicContact CG2-CD1 4.25Å; M196-L202 WeakPolarHBondContact O-CD2 3.44Å; P199-L202 PolarHBondContact O-N 3.49Å; L202-I206 HydrophobicContact CD2-CD1 4.41Å; L202-I206 HydrophobicContact CD2-CG2 4.36Å; L202-L207 HydrophobicContact CB-CD2 4.15Å; L202-L207 HydrophobicContact CB-CG 4.47Å; L202-L207 HydrophobicContact CD1-CD2 3.72Å; L202-W219 PolarHBondContact O-NE1 3.22Å; L202-Y244 HydrophobicContact CD1-CE1 4.1Å; L202-I247 HydrophobicContact CB-CD1 4.47Å; L202-I247 VanDerWaalsContact O-CG2 3.29Å; L202-I247 WeakPolarHBondContact O-CG2 3.49Å
203A96.6Very high89.3Confident0 Ų046.1 Ų46.10%024%0.239CC..  trans-78150.5172.300000111.1Y201 E205 I206 L207 T216 W219Y201-A203 PolarHBondContact O-N 3.28Å; A203-E205 VanDerWaalsContact C-N 3.25Å; A203-E205 HydrophobicContact CB-CG 4.31Å; A203-E205 VanDerWaalsContact CB-OE1 3.3Å; A203-E205 WeakPolarHBondContact CB-OE1 3.29Å; A203-E205 WeakPolarHBondContact CB-OE2 3.35Å; A203-E205 PolarHBondContact O-N 3.32Å; A203-I206 HydrophobicContact CB-CD1 4.46Å; A203-I206 WeakPolarHBondContact O-CB 3.39Å; A203-I206 PolarHBondContact O-N 3.28Å; A203-L207 PolarHBondContact O-N 3.11Å; A203-T216 HydrophobicContact CB-CG2 3.97Å; A203-W219 HydrophobicContact CB-CB 4.03Å; A203-W219 HydrophobicContact CB-CD2 4.35Å; A203-W219 HydrophobicContact CB-CG 3.77Å
204P96.9Very high90.1Very high1 Ų142.3 Ų42.31%0.00623%0.23CC..Hα-helixtrans-54-37.3-179.1-27.633.8000114.4I206 L207 N208 W219 I247 V250 K276P204-I206 VanDerWaalsContact C-N 3.3Å; P204-I206 PolarHBondContact O-N 3.22Å; P204-L207 PolarHBondContact O-N 3.24Å; P204-N208 PolarHBondContact O-N 2.86Å; P204-N208 PolarHBondContact O-ND2 3.35Å; P204-W219 HydrophobicContact CG-CE3 4.32Å; P204-W219 HydrophobicContact CG-CH2 3.71Å; P204-W219 HydrophobicContact CG-CZ2 4.09Å; P204-W219 HydrophobicContact CG-CZ3 3.84Å; P204-I247 HydrophobicContact CB-CG2 4.49Å; P204-I247 HydrophobicContact CG-CG2 3.95Å; P204-V250 HydrophobicContact CG-CG2 4.49Å; P204-K276 HydrophobicContact CB-CG 4.4Å
205E95.4Very high91.2Very high1 Ų139 Ų391%0.00522%0.216CC..Hα-helixtrans-64.5-31.3177.764.4-88.8-157.800112.9A203 N208 Y209 D210 T216 P278 R281A203-E205 VanDerWaalsContact C-N 3.25Å; A203-E205 HydrophobicContact CB-CG 4.31Å; A203-E205 VanDerWaalsContact CB-OE1 3.3Å; A203-E205 WeakPolarHBondContact CB-OE1 3.29Å; A203-E205 WeakPolarHBondContact CB-OE2 3.35Å; A203-E205 PolarHBondContact O-N 3.32Å; E205-N208 PolarHBondContact O-N 3.02Å; E205-Y209 PolarHBondContact O-N 3.05Å; E205-D210 HydrophobicContact CB-CB 3.88Å; E205-D210 PolarHBondContact O-N 3.41Å; E205-T216 VanDerWaalsContact OE1-CA 3.3Å; E205-T216 WeakPolarHBondContact OE1-CA 3.27Å; E205-T216 WeakPolarHBondContact OE1-CB 3.21Å; E205-T216 PolarHBondContact OE1-OG1 3.34Å; E205-P278 HydrophobicContact CB-CG 4.38Å; E205-R281 VanDerWaalsContact CD-NH1 3.27Å; E205-R281 IonicContact OE1-CZ 3.02Å; E205-R281 IonicContact OE1-NH1 2.96Å; E205-R281 PolarHBondContact OE1-NH1 2.92Å; E205-R281 IonicContact OE1-NH2 3.82Å; E205-R281 IonicContact OE2-CZ 3.35Å; E205-R281 IonicContact OE2-NH1 3.74Å; E205-R281 PolarHBondContact OE2-NH1 3.41Å; E205-R281 VanDerWaalsContact OE2-NH1 3.1Å; E205-R281 IonicContact OE2-NH2 2.91Å; E205-R281 PolarHBondContact OE2-NH2 2.72Å
206I93.3Very high92Very high8 Ų835.5 Ų35.54%0.04120%0.198CC..Hα-helixtrans-67.5-44.9174.4-65.1175.8000109.5I195 L202 A203 P204 N208 Y209 I212 T216I195-I206 HydrophobicContact CB-CG2 4.39Å; I195-I206 HydrophobicContact CG1-CG2 4.14Å; I195-I206 HydrophobicContact CG2-CG2 4.48Å; L202-I206 HydrophobicContact CD2-CD1 4.41Å; L202-I206 HydrophobicContact CD2-CG2 4.36Å; A203-I206 HydrophobicContact CB-CD1 4.46Å; A203-I206 WeakPolarHBondContact O-CB 3.39Å; A203-I206 PolarHBondContact O-N 3.28Å; P204-I206 VanDerWaalsContact C-N 3.3Å; P204-I206 PolarHBondContact O-N 3.22Å; I206-N208 VanDerWaalsContact C-N 3.26Å; I206-N208 PolarHBondContact O-N 3.05Å; I206-Y209 PolarHBondContact O-N 2.99Å; I206-I212 HydrophobicContact CG1-CG1 4.4Å; I206-T216 HydrophobicContact CD1-CG2 3.65Å; I206-T216 HydrophobicContact CG1-CG2 4.2Å
207L93.1Very high93.1Very high35 Ų3532.5 Ų32.518%0.18318%0.183CC..Hα-helixtrans-63.1-34.5178.8-61.2-176.3000112.1L202 A203 P204 Y209 Y244 I247L202-L207 HydrophobicContact CB-CD2 4.15Å; L202-L207 HydrophobicContact CB-CG 4.47Å; L202-L207 HydrophobicContact CD1-CD2 3.72Å; A203-L207 PolarHBondContact O-N 3.11Å; P204-L207 PolarHBondContact O-N 3.24Å; L207-Y209 VanDerWaalsContact C-N 3.31Å; L207-Y244 HydrophobicContact CD1-CD1 4.12Å; L207-Y244 HydrophobicContact CD2-CD1 3.71Å; L207-Y244 HydrophobicContact CD2-CE1 3.99Å; L207-Y244 HydrophobicContact CD2-CG 4.46Å; L207-I247 HydrophobicContact CD1-CB 3.84Å; L207-I247 HydrophobicContact CD1-CD1 4.42Å; L207-I247 HydrophobicContact CD1-CG2 3.53Å; L207-I247 HydrophobicContact CG-CG2 4.44Å
208N92Very high94Very high87 Ų8730.6 Ų30.647%0.46516%0.164SC..THydrogen-bonded Turntrans-82.3-3178.9-68.9-21.6000114.2P204 E205 I206 D210P204-N208 PolarHBondContact O-N 2.86Å; P204-N208 PolarHBondContact O-ND2 3.35Å; E205-N208 PolarHBondContact O-N 3.02Å; I206-N208 VanDerWaalsContact C-N 3.26Å; I206-N208 PolarHBondContact O-N 3.05Å; N208-D210 VanDerWaalsContact CB-OD2 3.26Å; N208-D210 WeakPolarHBondContact CB-OD2 3.28Å; N208-D210 PolarHBondContact O-N 3.29Å
209Y90.1Very high94.5Very high130 Ų13028.2 Ų28.251%0.5115%0.149SC..THydrogen-bonded Turntrans57.630.7-170.9-73.9-96.4000113.8R193 I195 E205 I206 L207R193-Y209 WeakPolarHBondContact CD-O 3.45Å; R193-Y209 PolarHBondContact NH1-O 2.62Å; I195-Y209 HydrophobicContact CD1-CD2 4.08Å; I195-Y209 HydrophobicContact CD1-CE1 4.25Å; I195-Y209 HydrophobicContact CD1-CE2 3.3Å; I195-Y209 WeakPolarHBondContact CD1-OH 3.16Å; I195-Y209 HydrophobicContact CG1-CE1 4.07Å; I195-Y209 HydrophobicContact CG1-CE2 3.98Å; E205-Y209 PolarHBondContact O-N 3.05Å; I206-Y209 PolarHBondContact O-N 2.99Å; L207-Y209 VanDerWaalsContact C-N 3.31Å
210D90.7Very high94.9Very high69 Ų6927 Ų2737%0.36914%0.141SC..PPolyproline II helixtrans-75.3160.5171.6-66.2-36.7000110E205 N208 I212E205-D210 HydrophobicContact CB-CB 3.88Å; E205-D210 PolarHBondContact O-N 3.41Å; N208-D210 VanDerWaalsContact CB-OD2 3.26Å; N208-D210 WeakPolarHBondContact CB-OD2 3.28Å; N208-D210 PolarHBondContact O-N 3.29Å; D210-I212 PolarHBondContact O-N 2.77Å
211P89.1Confident95.1Very high48 Ų4825.1 Ų25.131%0.31213%0.132SC..PPolyproline II helixtrans-59.7131176.9-23.935.3000112E191E191-P211 HydrophobicContact CB-CB 4.33Å; E191-P211 HydrophobicContact CB-CG 4.41Å; E191-P211 HydrophobicContact CG-CB 4.33Å; E191-P211 HydrophobicContact CG-CG 4.19Å
212I88.7Confident95.2Very high15 Ų1524.7 Ų24.78%0.07713%0.13CC..PPolyproline II helixtrans-69.7137.4175.6-73.3168.1000110.4L157 L192 I206 D210L157-I212 HydrophobicContact CD1-CD1 4.4Å; L157-I212 HydrophobicContact CD1-CG2 4.06Å; L157-I212 HydrophobicContact CD2-CG2 3.3Å; L157-I212 HydrophobicContact CG-CG2 4.3Å; L192-I212 HydrophobicContact CB-CB 4.4Å; L192-I212 HydrophobicContact CD2-CB 3.86Å; L192-I212 HydrophobicContact CD2-CD1 3.45Å; L192-I212 VanDerWaalsContact CD2-CD1 3.45Å; L192-I212 HydrophobicContact CD2-CG1 4.21Å; L192-I212 HydrophobicContact CD2-CG2 3.87Å; L192-I212 HydrophobicContact CG-CD1 4.19Å; L192-I212 PolarHBondContact O-N 3.25Å; I206-I212 HydrophobicContact CG1-CG1 4.4Å; D210-I212 PolarHBondContact O-N 2.77Å
213T92.4Very high95.3Very high48 Ų4824.4 Ų24.429%0.29413%0.129SC..  trans-134.6174.7-179.4690000111A215 T216T213-A215 PolarHBondContact O-N 2.82Å; T213-A215 WeakPolarHBondContact OG1-CB 3.48Å; T213-A215 PolarHBondContact OG1-N 3.35Å; T213-T216 WeakPolarHBondContact O-CB 3.18Å; T213-T216 PolarHBondContact O-N 2.89Å; T213-T216 VanDerWaalsContact O-N 3.17Å; T213-T216 PolarHBondContact O-OG1 2.75Å
214T96.6Very high95.4Very high51 Ų5124.5 Ų24.531%0.31313%0.13SC..Hα-helixtrans-59-25.8170.347.40000112.7H150 V155 I186 T216 D217 M218H150-T214 HydrophobicContact CB-CG2 4Å; H150-T214 PolarHBondContact CE1-O 2.9Å; H150-T214 VanDerWaalsContact CE1-O 3.22Å; V155-T214 HydrophobicContact CG2-CG2 3.59Å; I186-T214 HydrophobicContact CD1-CG2 4.5Å; T214-T216 PolarHBondContact O-N 3.36Å; T214-D217 PolarHBondContact O-N 2.98Å; T214-M218 PolarHBondContact O-N 2.83Å
215A97.8Very high95.5Very high10 Ų1024.5 Ų24.58%0.08313%0.129CC..Hα-helixtrans-65.8-16.6177.800000113.5T213 M218 W219 P278 R281T213-A215 PolarHBondContact O-N 2.82Å; T213-A215 WeakPolarHBondContact OG1-CB 3.48Å; T213-A215 PolarHBondContact OG1-N 3.35Å; A215-M218 WeakPolarHBondContact O-CB 3.35Å; A215-M218 PolarHBondContact O-N 3.42Å; A215-W219 PolarHBondContact O-N 3.37Å; A215-W219 VanDerWaalsContact O-N 3.12Å; A215-P278 HydrophobicContact CB-CB 3.71Å; A215-P278 WeakPolarHBondContact CB-O 3.43Å; A215-R281 HydrophobicContact CB-CB 4.32Å; A215-R281 WeakPolarHBondContact O-CD 3.37Å; A215-R281 PolarHBondContact O-NH1 3.3Å
216T97.3Very high95.6Very high0 Ų024.6 Ų24.60%013%0.13CC..Hα-helixtrans-67.1-46173.3-58.30000111L157 A203 E205 I206 T213 T214 M218 W219 N220L157-T216 HydrophobicContact CD2-CG2 3.96Å; A203-T216 HydrophobicContact CB-CG2 3.97Å; E205-T216 VanDerWaalsContact OE1-CA 3.3Å; E205-T216 WeakPolarHBondContact OE1-CA 3.27Å; E205-T216 WeakPolarHBondContact OE1-CB 3.21Å; E205-T216 PolarHBondContact OE1-OG1 3.34Å; I206-T216 HydrophobicContact CD1-CG2 3.65Å; I206-T216 HydrophobicContact CG1-CG2 4.2Å; T213-T216 WeakPolarHBondContact O-CB 3.18Å; T213-T216 PolarHBondContact O-N 2.89Å; T213-T216 VanDerWaalsContact O-N 3.17Å; T213-T216 PolarHBondContact O-OG1 2.75Å; T214-T216 PolarHBondContact O-N 3.36Å; T216-M218 PolarHBondContact O-N 2.87Å; T216-W219 WeakPolarHBondContact O-CB 3.35Å; T216-W219 PolarHBondContact O-N 2.97Å; T216-N220 PolarHBondContact O-N 3.44Å; T216-N220 PolarHBondContact O-OD1 3.07Å
217D98.4Very high95.9Very high0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-62.7-33.3173.6-74.5-14.6000111.3V146 H150 V155 H156 L157 L159 T214 N220 I221V146-D217 HydrophobicContact CG1-CB 4.18Å; H150-D217 IonicContact CD2-OD2 3.73Å; H150-D217 IonicContact CE1-OD2 3.38Å; H150-D217 IonicContact NE2-OD2 2.79Å; H150-D217 PolarHBondContact NE2-OD2 2.96Å; V155-D217 WeakPolarHBondContact CA-OD2 3.42Å; V155-D217 HydrophobicContact CG1-CB 4.49Å; V155-D217 VanDerWaalsContact CG1-CG 3.47Å; V155-D217 WeakPolarHBondContact CG1-OD1 3.38Å; V155-D217 VanDerWaalsContact CG1-OD2 3.27Å; V155-D217 WeakPolarHBondContact CG1-OD2 3.37Å; H156-D217 PolarHBondContact N-OD1 2.84Å; H156-D217 PolarHBondContact N-OD2 3.14Å; L157-D217 PolarHBondContact N-OD1 3.24Å; L159-D217 HydrophobicContact CD1-CB 3.74Å; T214-D217 PolarHBondContact O-N 2.98Å; D217-N220 WeakPolarHBondContact O-CB 3.37Å; D217-N220 PolarHBondContact O-N 2.96Å; D217-I221 WeakPolarHBondContact O-CG1 3.29Å; D217-I221 PolarHBondContact O-N 2.81Å
218M98.9Very high96.1Very high1 Ų123.1 Ų23.11%0.00512%0.122CC..Hα-helixtrans-65.9-37.8178.4-58.8-48.9-55.900112.2L143 V146 T214 A215 T216 N220 I221 G222 L273 A284 C287L143-M218 HydrophobicContact CD2-CE 3.75Å; V146-M218 HydrophobicContact CG1-SD 4.32Å; T214-M218 PolarHBondContact O-N 2.83Å; A215-M218 WeakPolarHBondContact O-CB 3.35Å; A215-M218 PolarHBondContact O-N 3.42Å; T216-M218 PolarHBondContact O-N 2.87Å; M218-N220 VanDerWaalsContact C-N 3.32Å; M218-N220 PolarHBondContact O-N 3.16Å; M218-I221 HydrophobicContact CE-CD1 3.97Å; M218-I221 PolarHBondContact O-N 2.98Å; M218-I221 HydrophobicContact SD-CD1 3.88Å; M218-G222 PolarHBondContact O-N 3.32Å; M218-G222 VanDerWaalsContact O-N 3.15Å; M218-L273 HydrophobicContact CB-CD2 3.89Å; M218-L273 HydrophobicContact CE-CD2 3.8Å; M218-A284 HydrophobicContact CE-CB 4.2Å; M218-A284 HydrophobicContact SD-CB 3.85Å; M218-C287 HydrophobicContact CE-CB 4.25Å
219W98.8Very high96.4Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-58.6-44.7170.3171.2-89.6000111.5L202 A203 P204 A215 T216 I221 G222 I223 F235 I247 V250 L274L202-W219 PolarHBondContact O-NE1 3.22Å; A203-W219 HydrophobicContact CB-CB 4.03Å; A203-W219 HydrophobicContact CB-CD2 4.35Å; A203-W219 HydrophobicContact CB-CG 3.77Å; P204-W219 HydrophobicContact CG-CE3 4.32Å; P204-W219 HydrophobicContact CG-CH2 3.71Å; P204-W219 HydrophobicContact CG-CZ2 4.09Å; P204-W219 HydrophobicContact CG-CZ3 3.84Å; A215-W219 PolarHBondContact O-N 3.37Å; A215-W219 VanDerWaalsContact O-N 3.12Å; T216-W219 WeakPolarHBondContact O-CB 3.35Å; T216-W219 PolarHBondContact O-N 2.97Å; W219-I221 VanDerWaalsContact C-N 3.33Å; W219-I221 PolarHBondContact O-N 3.49Å; W219-G222 WeakPolarHBondContact O-CA 3.39Å; W219-G222 PolarHBondContact O-N 3.05Å; W219-G222 VanDerWaalsContact O-N 3.1Å; W219-I223 VanDerWaalsContact NE1-CD1 3.32Å; W219-I223 PolarHBondContact O-N 3.21Å; W219-I223 VanDerWaalsContact O-N 3.09Å; W219-F235 AromaticContact CE2-CE2 3.89Å; W219-F235 AromaticContact CH2-CE1 3.96Å; W219-F235 HydrophobicContact CH2-CE1 3.96Å; W219-F235 AromaticContact CH2-CE2 3.76Å; W219-F235 HydrophobicContact CH2-CE2 3.76Å; W219-F235 AromaticContact CH2-CZ 3.28Å; W219-F235 HydrophobicContact CH2-CZ 3.28Å; W219-F235 AromaticContact CZ2-CD2 3.96Å; W219-F235 HydrophobicContact CZ2-CD2 3.96Å; W219-F235 HydrophobicContact CZ2-CE1 4.02Å; W219-F235 AromaticContact CZ2-CE2 3.22Å; W219-F235 HydrophobicContact CZ2-CE2 3.22Å; W219-F235 AromaticContact CZ2-CZ 3.26Å; W219-F235 HydrophobicContact CZ2-CZ 3.26Å; W219-F235 HydrophobicContact CZ3-CZ 4.31Å; W219-I247 HydrophobicContact CZ2-CG2 4.04Å; W219-V250 HydrophobicContact CH2-CG1 4.19Å; W219-V250 HydrophobicContact CH2-CG2 4.18Å; W219-V250 HydrophobicContact CZ3-CG1 4.28Å; W219-V250 HydrophobicContact CZ3-CG2 4.32Å; W219-L274 HydrophobicContact CD2-CD2 3.96Å; W219-L274 HydrophobicContact CE3-CD2 3.94Å; W219-L274 HydrophobicContact CG-CD2 4.48Å; W219-L274 HydrophobicContact CZ3-CB 4.25Å; W219-L274 HydrophobicContact CZ3-CD2 4.22Å; W219-L274 WeakPolarHBondContact O-CD2 3.42Å
220N98.7Very high96.7Very high6 Ų614.4 Ų14.43%0.0329%0.085CC..Hα-helixtrans-63.1-38.1178.5-67124.4000113L159 Y201 T216 D217 M218 G222 I223 I224L159-N220 HydrophobicContact CB-CB 3.56Å; L159-N220 WeakPolarHBondContact O-CB 3.41Å; L159-N220 VanDerWaalsContact O-CG 3.29Å; L159-N220 PolarHBondContact O-ND2 3.31Å; Y201-N220 PolarHBondContact O-ND2 2.83Å; T216-N220 PolarHBondContact O-N 3.44Å; T216-N220 PolarHBondContact O-OD1 3.07Å; D217-N220 WeakPolarHBondContact O-CB 3.37Å; D217-N220 PolarHBondContact O-N 2.96Å; M218-N220 VanDerWaalsContact C-N 3.32Å; M218-N220 PolarHBondContact O-N 3.16Å; N220-G222 VanDerWaalsContact C-N 3.29Å; N220-G222 PolarHBondContact O-N 3.28Å; N220-I223 PolarHBondContact O-N 3.36Å; N220-I224 WeakPolarHBondContact O-CD1 3Å; N220-I224 VanDerWaalsContact O-CG1 3.31Å; N220-I224 WeakPolarHBondContact O-CG1 3.39Å; N220-I224 PolarHBondContact O-N 3.41Å
221I98.9Very high97Very high2 Ų213 Ų131%0.018%0.076CC..Hα-helixtrans-62.1-39.1173.7-67.4160.1000111V139 I142 L143 V146 L159 D217 M218 W219 I223 I224 A225 F269 L273V139-I221 HydrophobicContact CG1-CG2 4.32Å; I142-I221 HydrophobicContact CG2-CG1 4.03Å; L143-I221 HydrophobicContact CD2-CD1 3.86Å; L143-I221 HydrophobicContact CD2-CG2 4.31Å; L143-I221 HydrophobicContact CG-CG2 4.45Å; V146-I221 HydrophobicContact CB-CD1 4.1Å; V146-I221 HydrophobicContact CG1-CD1 3.95Å; V146-I221 HydrophobicContact CG2-CD1 4.01Å; L159-I221 HydrophobicContact CD1-CG1 4.43Å; D217-I221 WeakPolarHBondContact O-CG1 3.29Å; D217-I221 PolarHBondContact O-N 2.81Å; M218-I221 HydrophobicContact CE-CD1 3.97Å; M218-I221 PolarHBondContact O-N 2.98Å; M218-I221 HydrophobicContact SD-CD1 3.88Å; W219-I221 VanDerWaalsContact C-N 3.33Å; W219-I221 PolarHBondContact O-N 3.49Å; I221-I223 VanDerWaalsContact C-N 3.34Å; I221-I223 PolarHBondContact O-N 3.03Å; I221-I224 PolarHBondContact O-N 3.07Å; I221-A225 WeakPolarHBondContact O-CB 3.42Å; I221-A225 PolarHBondContact O-N 2.99Å; I221-F269 HydrophobicContact CG2-CE1 4.42Å; I221-F269 HydrophobicContact CG2-CZ 4.36Å; I221-L273 HydrophobicContact CB-CD1 4.39Å; I221-L273 HydrophobicContact CG2-CD1 4.04Å
222G98.9Very high97.3Very high0 Ų013.8 Ų13.80%08%0.08CC..Hα-helixtrans-59.8-42.7173.700000112.5M218 W219 N220 Y226M218-G222 PolarHBondContact O-N 3.32Å; M218-G222 VanDerWaalsContact O-N 3.15Å; W219-G222 WeakPolarHBondContact O-CA 3.39Å; W219-G222 PolarHBondContact O-N 3.05Å; W219-G222 VanDerWaalsContact O-N 3.1Å; N220-G222 VanDerWaalsContact C-N 3.29Å; N220-G222 PolarHBondContact O-N 3.28Å; G222-Y226 WeakPolarHBondContact O-CB 3.08Å; G222-Y226 PolarHBondContact O-N 3.25Å
223I98.8Very high97.7Very high1 Ų114.4 Ų14.41%0.0059%0.085CC..Hα-helixtrans-63.9-46.6174.9-64.7174.4000111Y201 W219 N220 I221 A225 Y226 M227 P234 F235 L274Y201-I223 HydrophobicContact CD1-CD1 4.27Å; Y201-I223 HydrophobicContact CD1-CG2 3.76Å; Y201-I223 HydrophobicContact CE1-CG2 3.89Å; W219-I223 VanDerWaalsContact NE1-CD1 3.32Å; W219-I223 PolarHBondContact O-N 3.21Å; W219-I223 VanDerWaalsContact O-N 3.09Å; N220-I223 PolarHBondContact O-N 3.36Å; I221-I223 VanDerWaalsContact C-N 3.34Å; I221-I223 PolarHBondContact O-N 3.03Å; I223-A225 VanDerWaalsContact C-N 3.34Å; I223-A225 PolarHBondContact O-N 3.16Å; I223-Y226 WeakPolarHBondContact O-CB 3.43Å; I223-Y226 PolarHBondContact O-N 3.21Å; I223-M227 HydrophobicContact CG2-CG 4.12Å; I223-M227 HydrophobicContact CG2-SD 3.84Å; I223-M227 WeakPolarHBondContact O-CG 3.04Å; I223-M227 PolarHBondContact O-N 3.47Å; I223-P234 HydrophobicContact CB-CG 4.24Å; I223-P234 HydrophobicContact CG1-CG 4Å; I223-P234 HydrophobicContact CG2-CG 3.79Å; I223-F235 HydrophobicContact CD1-CD2 3.89Å; I223-F235 HydrophobicContact CD1-CE2 3.98Å; I223-F235 HydrophobicContact CG1-CD2 4.08Å; I223-F235 HydrophobicContact CG1-CE2 3.84Å; I223-L274 HydrophobicContact CG1-CD2 3.95Å
224I98.8Very high98Very high2 Ų212.5 Ų12.51%0.017%0.074CC..Hα-helixtrans-60.8-44.5-179.7-68156000110.6I142 L159 P161 I164 N220 I221 M227 L228I142-I224 HydrophobicContact CD1-CG2 4.07Å; L159-I224 HydrophobicContact CB-CD1 4.48Å; P161-I224 HydrophobicContact CG-CG1 4.1Å; I164-I224 HydrophobicContact CD1-CD1 3.53Å; N220-I224 WeakPolarHBondContact O-CD1 3Å; N220-I224 VanDerWaalsContact O-CG1 3.31Å; N220-I224 WeakPolarHBondContact O-CG1 3.39Å; N220-I224 PolarHBondContact O-N 3.41Å; I221-I224 PolarHBondContact O-N 3.07Å; I224-M227 PolarHBondContact O-N 3.18Å; I224-L228 HydrophobicContact CG2-CD1 3.8Å; I224-L228 HydrophobicContact CG2-CG 4.33Å; I224-L228 WeakPolarHBondContact O-CB 3.36Å; I224-L228 VanDerWaalsContact O-CG 3.29Å; I224-L228 WeakPolarHBondContact O-CG 3.13Å; I224-L228 PolarHBondContact O-N 3.01Å
225A98.8Very high98.1Very high0 Ų010.1 Ų10.10%06%0.059CC..Hα-helixtrans-61.8-44.9176.900000111.8V139 I221 I223 L228 L229 F269 I270 W292V139-A225 HydrophobicContact CG2-CB 4.14Å; I221-A225 WeakPolarHBondContact O-CB 3.42Å; I221-A225 PolarHBondContact O-N 2.99Å; I223-A225 VanDerWaalsContact C-N 3.34Å; I223-A225 PolarHBondContact O-N 3.16Å; A225-L228 PolarHBondContact O-N 2.96Å; A225-L229 WeakPolarHBondContact O-CD1 3.32Å; A225-L229 WeakPolarHBondContact O-CG 2.94Å; A225-L229 PolarHBondContact O-N 2.83Å; A225-F269 HydrophobicContact CB-CD1 4.31Å; A225-F269 HydrophobicContact CB-CE1 4.12Å; A225-I270 HydrophobicContact CB-CG1 4.07Å; A225-W292 HydrophobicContact CB-CH2 4.47Å
226Y98.7Very high98Very high4 Ų413.2 Ų13.22%0.0168%0.077CC..Hα-helixtrans-55.8-54173.9-176.6-77.2000110.8G222 I223 L228 L229 T230 T232 P234 V252 D253 Y254 F259 I270G222-Y226 WeakPolarHBondContact O-CB 3.08Å; G222-Y226 PolarHBondContact O-N 3.25Å; I223-Y226 WeakPolarHBondContact O-CB 3.43Å; I223-Y226 PolarHBondContact O-N 3.21Å; Y226-L228 VanDerWaalsContact C-N 3.33Å; Y226-L228 PolarHBondContact O-N 3.45Å; Y226-L229 PolarHBondContact O-N 3.01Å; Y226-T230 HydrophobicContact CD1-CG2 4.15Å; Y226-T230 VanDerWaalsContact CD1-OG1 3.25Å; Y226-T230 WeakPolarHBondContact CD1-OG1 3.48Å; Y226-T230 HydrophobicContact CD2-CG2 4.4Å; Y226-T230 HydrophobicContact CE1-CG2 3.99Å; Y226-T230 WeakPolarHBondContact CE1-OG1 3.48Å; Y226-T230 HydrophobicContact CE2-CG2 4.24Å; Y226-T230 HydrophobicContact CG-CG2 4.35Å; Y226-T230 WeakPolarHBondContact O-CG2 3.37Å; Y226-T230 PolarHBondContact O-N 3.28Å; Y226-T230 PolarHBondContact O-OG1 3.28Å; Y226-T232 VanDerWaalsContact CD1-O 3.31Å; Y226-T232 WeakPolarHBondContact CD1-O 3.45Å; Y226-T232 WeakPolarHBondContact CE1-O 3.41Å; Y226-T232 WeakPolarHBondContact CE1-OG1 3.43Å; Y226-P234 HydrophobicContact CD1-CB 3.67Å; Y226-P234 HydrophobicContact CD1-CG 3.92Å; Y226-P234 HydrophobicContact CD2-CB 4.06Å; Y226-P234 HydrophobicContact CE1-CB 3.74Å; Y226-P234 HydrophobicContact CE1-CG 4.39Å; Y226-P234 HydrophobicContact CE2-CB 4.12Å; Y226-P234 HydrophobicContact CG-CB 3.85Å; Y226-P234 HydrophobicContact CG-CG 4.14Å; Y226-V252 HydrophobicContact CD2-CG1 3.98Å; Y226-V252 HydrophobicContact CE2-CG1 3.46Å; Y226-V252 VanDerWaalsContact CE2-CG1 3.46Å; Y226-D253 WeakPolarHBondContact CE2-O 3.35Å; Y226-D253 PolarHBondContact OH-O 2.94Å; Y226-D253 VanDerWaalsContact OH-O 3.05Å; Y226-Y254 HydrophobicContact CD2-CE1 4.44Å; Y226-Y254 HydrophobicContact CE2-CE1 4.4Å; Y226-F259 HydrophobicContact CD2-CE2 4.16Å; Y226-F259 AromaticContact CD2-CZ 3.7Å; Y226-F259 HydrophobicContact CD2-CZ 3.7Å; Y226-F259 AromaticContact CE2-CE2 3.49Å; Y226-F259 HydrophobicContact CE2-CE2 3.49Å; Y226-F259 VanDerWaalsContact CE2-CE2 3.49Å; Y226-F259 AromaticContact CE2-CZ 3.52Å; Y226-F259 HydrophobicContact CE2-CZ 3.52Å; Y226-I270 HydrophobicContact CD2-CG2 4.21Å
227M98.3Very high98Very high9 Ų914.2 Ų14.24%0.0449%0.087CC..Hα-helixtrans-62-37.2-176.9-69.9-177.47500113.3F119 C122 P161 Y201 I223 I224 L229 H231 T232F119-M227 HydrophobicContact CD2-CE 4.45Å; F119-M227 HydrophobicContact CE2-CE 4.16Å; C122-M227 HydrophobicContact CB-CB 4.11Å; C122-M227 HydrophobicContact CB-CE 4.23Å; P161-M227 HydrophobicContact CG-CE 4.29Å; P161-M227 HydrophobicContact CG-SD 3.85Å; Y201-M227 HydrophobicContact CE1-SD 3.75Å; I223-M227 HydrophobicContact CG2-CG 4.12Å; I223-M227 HydrophobicContact CG2-SD 3.84Å; I223-M227 WeakPolarHBondContact O-CG 3.04Å; I223-M227 PolarHBondContact O-N 3.47Å; I224-M227 PolarHBondContact O-N 3.18Å; M227-L229 VanDerWaalsContact C-N 3.26Å; M227-L229 PolarHBondContact O-N 3.44Å; M227-H231 VanDerWaalsContact O-CA 3.27Å; M227-H231 WeakPolarHBondContact O-CA 3.34Å; M227-H231 PolarHBondContact O-N 3.35Å; M227-T232 WeakPolarHBondContact CG-O 3.43Å
228L97.9Very high97.9Very high3 Ų323.6 Ų23.62%0.01613%0.131CC..Hα-helixtrans-68.7-25.5177.3-74.2170.9000112.9I118 L121 V135 V139 I224 A225 Y226I118-L228 HydrophobicContact CD1-CD1 4.11Å; I118-L228 HydrophobicContact CD1-CD2 4.3Å; I118-L228 HydrophobicContact CG1-CD2 4.15Å; L121-L228 HydrophobicContact CB-CD2 3.83Å; V135-L228 HydrophobicContact CG1-CB 3.84Å; V135-L228 HydrophobicContact CG1-CD1 4.2Å; V135-L228 HydrophobicContact CG2-CB 4.15Å; V139-L228 HydrophobicContact CG2-CD1 4.31Å; I224-L228 HydrophobicContact CG2-CD1 3.8Å; I224-L228 HydrophobicContact CG2-CG 4.33Å; I224-L228 WeakPolarHBondContact O-CB 3.36Å; I224-L228 VanDerWaalsContact O-CG 3.29Å; I224-L228 WeakPolarHBondContact O-CG 3.13Å; I224-L228 PolarHBondContact O-N 3.01Å; A225-L228 PolarHBondContact O-N 2.96Å; Y226-L228 VanDerWaalsContact C-N 3.33Å; Y226-L228 PolarHBondContact O-N 3.45Å
229L97.8Very high97.7Very high17 Ų1727.7 Ų27.79%0.08915%0.153CC..Hα-helixtrans-94.9-37.7-177.6-71.4165.2000112.3E132 V135 A225 Y226 M227 V262 A266 I270 W292E132-L229 HydrophobicContact CG-CD2 4.19Å; V135-L229 HydrophobicContact CB-CD2 4.23Å; V135-L229 HydrophobicContact CG1-CD2 4.03Å; V135-L229 HydrophobicContact CG1-CG 4.03Å; V135-L229 HydrophobicContact CG2-CD2 4.21Å; A225-L229 WeakPolarHBondContact O-CD1 3.32Å; A225-L229 WeakPolarHBondContact O-CG 2.94Å; A225-L229 PolarHBondContact O-N 2.83Å; Y226-L229 PolarHBondContact O-N 3.01Å; M227-L229 VanDerWaalsContact C-N 3.26Å; M227-L229 PolarHBondContact O-N 3.44Å; L229-V262 HydrophobicContact CB-CG1 4.41Å; L229-V262 HydrophobicContact CB-CG2 4.06Å; L229-V262 HydrophobicContact CD1-CG1 4.14Å; L229-A266 HydrophobicContact CD1-CB 3.76Å; L229-I270 HydrophobicContact CD1-CD1 3.95Å; L229-W292 HydrophobicContact CD1-CH2 4.14Å; L229-W292 HydrophobicContact CD1-CZ2 3.9Å; L229-W292 HydrophobicContact CD2-CZ2 4.46Å
230T97.1Very high97.6Very high17 Ų1732.2 Ų32.210%0.10418%0.177CC..Hα-helixtrans-102.2-16.6-173.468.80000113.4Y226 T232 T258 F259Y226-T230 HydrophobicContact CD1-CG2 4.15Å; Y226-T230 VanDerWaalsContact CD1-OG1 3.25Å; Y226-T230 WeakPolarHBondContact CD1-OG1 3.48Å; Y226-T230 HydrophobicContact CD2-CG2 4.4Å; Y226-T230 HydrophobicContact CE1-CG2 3.99Å; Y226-T230 WeakPolarHBondContact CE1-OG1 3.48Å; Y226-T230 HydrophobicContact CE2-CG2 4.24Å; Y226-T230 HydrophobicContact CG-CG2 4.35Å; Y226-T230 WeakPolarHBondContact O-CG2 3.37Å; Y226-T230 PolarHBondContact O-N 3.28Å; Y226-T230 PolarHBondContact O-OG1 3.28Å; T230-T232 PolarHBondContact O-N 3.45Å; T230-T232 PolarHBondContact OG1-N 2.96Å; T230-T232 PolarHBondContact OG1-O 3.08Å; T230-T232 PolarHBondContact OG1-OG1 2.96Å; T230-T258 HydrophobicContact CG2-CG2 3.77Å; T230-F259 HydrophobicContact CG2-CD2 4.36Å; T230-F259 HydrophobicContact CG2-CE2 3.74Å; T230-F259 HydrophobicContact CG2-CZ 3.84Å
231H96.9Very high97.4Very high40 Ų4038.5 Ų38.519%0.18521%0.206CC..SBendtrans59.222.1-172.5-47.481.5000113.6C122 L123 P124 A127 M227C122-H231 CarbonylContact O-C 3.55Å; C122-H231 WeakPolarHBondContact O-CA 3.4Å; C122-H231 WeakPolarHBondContact O-CB 3.44Å; L123-H231 PolarHBondContact O-CD2 2.9Å; P124-H231 HydrophobicContact CG-CB 4.1Å; A127-H231 VanDerWaalsContact CA-NE2 3.29Å; A127-H231 WeakPolarHBondContact CA-NE2 3.44Å; A127-H231 VanDerWaalsContact CB-CE1 3.42Å; A127-H231 WeakPolarHBondContact CB-CE1 3.5Å; A127-H231 WeakPolarHBondContact CB-NE2 3.46Å; M227-H231 VanDerWaalsContact O-CA 3.27Å; M227-H231 WeakPolarHBondContact O-CA 3.34Å; M227-H231 PolarHBondContact O-N 3.35Å
232T95.5Very high97.4Very high64 Ų6442.1 Ų42.139%0.39322%0.223SC..SBendtrans-129.7151.8177.961.40000110.7Y226 M227 T230Y226-T232 VanDerWaalsContact CD1-O 3.31Å; Y226-T232 WeakPolarHBondContact CD1-O 3.45Å; Y226-T232 WeakPolarHBondContact CE1-O 3.41Å; Y226-T232 WeakPolarHBondContact CE1-OG1 3.43Å; M227-T232 WeakPolarHBondContact CG-O 3.43Å; T230-T232 PolarHBondContact O-N 3.45Å; T230-T232 PolarHBondContact OG1-N 2.96Å; T230-T232 PolarHBondContact OG1-O 3.08Å; T230-T232 PolarHBondContact OG1-OG1 2.96Å
233S97Very high97.3Very high27 Ų2742.3 Ų42.319%0.18922%0.224CC..  trans-82.1131.5173.9178.20000109.7E200 F235E200-S233 WeakPolarHBondContact OE2-CB 3.45Å; E200-S233 PolarHBondContact OE2-OG 3.37Å; S233-F235 VanDerWaalsContact C-N 3.29Å; S233-F235 PolarHBondContact O-N 3.32Å
234P98.1Very high97.2Very high9 Ų946.5 Ų46.56%0.05824%0.241CC..SBendtrans-72.5-18.7-173.624.9-31.8000114.3I223 Y226 V252I223-P234 HydrophobicContact CB-CG 4.24Å; I223-P234 HydrophobicContact CG1-CG 4Å; I223-P234 HydrophobicContact CG2-CG 3.79Å; Y226-P234 HydrophobicContact CD1-CB 3.67Å; Y226-P234 HydrophobicContact CD1-CG 3.92Å; Y226-P234 HydrophobicContact CD2-CB 4.06Å; Y226-P234 HydrophobicContact CE1-CB 3.74Å; Y226-P234 HydrophobicContact CE1-CG 4.39Å; Y226-P234 HydrophobicContact CE2-CB 4.12Å; Y226-P234 HydrophobicContact CG-CB 3.85Å; Y226-P234 HydrophobicContact CG-CG 4.14Å; P234-V252 HydrophobicContact CB-CG1 4Å
235F98.4Very high97.2Very high1 Ų150.1 Ų50.10%0.00426%0.26CS..SBendtrans-130.5-12.3-170.4-62.6-65.6000115.2W219 I223 S233 G237 T243 N246 I247 V252 L274W219-F235 AromaticContact CE2-CE2 3.89Å; W219-F235 AromaticContact CH2-CE1 3.96Å; W219-F235 HydrophobicContact CH2-CE1 3.96Å; W219-F235 AromaticContact CH2-CE2 3.76Å; W219-F235 HydrophobicContact CH2-CE2 3.76Å; W219-F235 AromaticContact CH2-CZ 3.28Å; W219-F235 HydrophobicContact CH2-CZ 3.28Å; W219-F235 AromaticContact CZ2-CD2 3.96Å; W219-F235 HydrophobicContact CZ2-CD2 3.96Å; W219-F235 HydrophobicContact CZ2-CE1 4.02Å; W219-F235 AromaticContact CZ2-CE2 3.22Å; W219-F235 HydrophobicContact CZ2-CE2 3.22Å; W219-F235 AromaticContact CZ2-CZ 3.26Å; W219-F235 HydrophobicContact CZ2-CZ 3.26Å; W219-F235 HydrophobicContact CZ3-CZ 4.31Å; I223-F235 HydrophobicContact CD1-CD2 3.89Å; I223-F235 HydrophobicContact CD1-CE2 3.98Å; I223-F235 HydrophobicContact CG1-CD2 4.08Å; I223-F235 HydrophobicContact CG1-CE2 3.84Å; S233-F235 VanDerWaalsContact C-N 3.29Å; S233-F235 PolarHBondContact O-N 3.32Å; F235-G237 PolarHBondContact O-N 3.36Å; F235-T243 WeakPolarHBondContact O-CA 3.33Å; F235-N246 HydrophobicContact CB-CB 4.41Å; F235-N246 HydrophobicContact CD1-CB 4.18Å; F235-N246 PolarHBondContact O-ND2 2.74Å; F235-I247 HydrophobicContact CB-CD1 4.47Å; F235-I247 HydrophobicContact CB-CG1 3.74Å; F235-I247 HydrophobicContact CD1-CG1 4.12Å; F235-I247 HydrophobicContact CD2-CG1 4.32Å; F235-I247 HydrophobicContact CG-CG1 3.81Å; F235-V252 HydrophobicContact CD1-CG2 4.16Å; F235-V252 HydrophobicContact CE1-CG2 3.22Å; F235-V252 HydrophobicContact CE2-CG2 4.34Å; F235-V252 HydrophobicContact CZ-CG2 3.32Å; F235-L274 HydrophobicContact CE2-CD1 4.14Å; F235-L274 HydrophobicContact CE2-CD2 4.13Å; F235-L274 HydrophobicContact CZ-CD1 4.11Å; F235-L274 HydrophobicContact CZ-CD2 4.38Å
236V97.3Very high97.2Very high74 Ų7451.2 Ų51.245%0.44827%0.265SS..  trans-62.7130.2-17875.90000110.4E200E200-V236 HydrophobicContact CB-CB 4.28Å
237G96.3Very high97.2Very high21 Ų2151 Ų5122%0.21627%0.265CS..  trans-108.1-176.2171.200000112F235 D239 E242 T243F235-G237 PolarHBondContact O-N 3.36Å; G237-D239 PolarHBondContact O-N 3.03Å; G237-E242 WeakPolarHBondContact CA-OE2 3.14Å; G237-T243 PolarHBondContact N-OG1 3.02Å
238E95.6Very high97.1Very high197 Ų19752.1 Ų52.192%0.92127%0.273SS*.SBendtrans-61.5-30.1173.5-64.2-170.9168.800111.8E242E238-E242 PolarHBondContact N-OE2 2.79Å
239D96.2Very high97.1Very high87 Ų8758.1 Ų58.147%0.46530%0.301SS..SBendtrans-139.4174.7174.270.931.6000113.4G237 Q241 E242 T243G237-D239 PolarHBondContact O-N 3.03Å; D239-Q241 PolarHBondContact O-N 3.15Å; D239-Q241 WeakPolarHBondContact OD1-CA 3.37Å; D239-Q241 VanDerWaalsContact OD1-CB 3.28Å; D239-Q241 WeakPolarHBondContact OD1-CB 3.37Å; D239-Q241 PolarHBondContact OD1-N 2.69Å; D239-E242 PolarHBondContact O-N 3.27Å; D239-E242 PolarHBondContact OD1-N 3.41Å; D239-T243 WeakPolarHBondContact O-CB 3.25Å; D239-T243 PolarHBondContact O-N 2.9Å; D239-T243 PolarHBondContact O-OG1 3.17Å
240N94.9Very high97.1Very high95 Ų9559 Ų5951%0.50831%0.307SS..Hα-helixtrans-63.3-30.4178.8-72.9-25.2000112.4T243 Y244N240-T243 PolarHBondContact O-N 2.81Å; N240-Y244 HydrophobicContact CB-CE2 3.95Å; N240-Y244 WeakPolarHBondContact O-CD2 3.37Å; N240-Y244 WeakPolarHBondContact O-CE2 3.39Å; N240-Y244 PolarHBondContact O-N 3.21Å
241Q96.3Very high97.1Very high138 Ų13862.5 Ų62.565%0.64533%0.325SS*.Hα-helixtrans-69.8-45.8-179178.5178.9-25.600110.3D239 T243 Y244 L245D239-Q241 PolarHBondContact O-N 3.15Å; D239-Q241 WeakPolarHBondContact OD1-CA 3.37Å; D239-Q241 VanDerWaalsContact OD1-CB 3.28Å; D239-Q241 WeakPolarHBondContact OD1-CB 3.37Å; D239-Q241 PolarHBondContact OD1-N 2.69Å; Q241-T243 VanDerWaalsContact C-N 3.34Å; Q241-Y244 PolarHBondContact O-N 3.34Å; Q241-L245 HydrophobicContact CG-CD1 4.37Å; Q241-L245 WeakPolarHBondContact O-CG 3.27Å; Q241-L245 PolarHBondContact O-N 3.38Å
242E97.7Very high97.2Very high79 Ų7961.4 Ų61.437%0.36932%0.322SS..Hα-helixtrans-61.7-43.5173.1-174.6174.9-153.200111.3G237 E238 D239 Y244 L245 N246G237-E242 WeakPolarHBondContact CA-OE2 3.14Å; E238-E242 PolarHBondContact N-OE2 2.79Å; D239-E242 PolarHBondContact O-N 3.27Å; D239-E242 PolarHBondContact OD1-N 3.41Å; E242-Y244 VanDerWaalsContact C-N 3.35Å; E242-Y244 PolarHBondContact O-N 2.95Å; E242-L245 WeakPolarHBondContact O-CB 3.39Å; E242-L245 PolarHBondContact O-N 2.83Å; E242-L245 VanDerWaalsContact O-N 3.08Å; E242-N246 PolarHBondContact O-N 3.01Å
243T97.8Very high97.3Very high4 Ų462 Ų623%0.02532%0.322CS..Hα-helixtrans-56-48.2175.6-570000111.6P199 E200 F235 G237 D239 N240 Q241 L245 N246 I247P199-T243 HydrophobicContact CB-CG2 4.31Å; E200-T243 HydrophobicContact CB-CG2 4.06Å; F235-T243 WeakPolarHBondContact O-CA 3.33Å; G237-T243 PolarHBondContact N-OG1 3.02Å; D239-T243 WeakPolarHBondContact O-CB 3.25Å; D239-T243 PolarHBondContact O-N 2.9Å; D239-T243 PolarHBondContact O-OG1 3.17Å; N240-T243 PolarHBondContact O-N 2.81Å; Q241-T243 VanDerWaalsContact C-N 3.34Å; T243-L245 VanDerWaalsContact C-N 3.33Å; T243-L245 PolarHBondContact O-N 3.02Å; T243-N246 PolarHBondContact O-N 2.82Å; T243-I247 HydrophobicContact CG2-CD1 4.04Å; T243-I247 VanDerWaalsContact O-CG1 3.32Å; T243-I247 WeakPolarHBondContact O-CG1 3.43Å; T243-I247 PolarHBondContact O-N 3.35Å
244Y96.9Very high97.4Very high88 Ų8864.1 Ų64.135%0.34533%0.327SS..Hα-helixtrans-66-34.8177-61.3-37.5000112.8P199 L202 L207 N240 Q241 E242 S248P199-Y244 HydrophobicContact CB-CE1 3.78Å; L202-Y244 HydrophobicContact CD1-CE1 4.1Å; L207-Y244 HydrophobicContact CD1-CD1 4.12Å; L207-Y244 HydrophobicContact CD2-CD1 3.71Å; L207-Y244 HydrophobicContact CD2-CE1 3.99Å; L207-Y244 HydrophobicContact CD2-CG 4.46Å; N240-Y244 HydrophobicContact CB-CE2 3.95Å; N240-Y244 WeakPolarHBondContact O-CD2 3.37Å; N240-Y244 WeakPolarHBondContact O-CE2 3.39Å; N240-Y244 PolarHBondContact O-N 3.21Å; Q241-Y244 PolarHBondContact O-N 3.34Å; E242-Y244 VanDerWaalsContact C-N 3.35Å; E242-Y244 PolarHBondContact O-N 2.95Å; Y244-S248 WeakPolarHBondContact O-CB 3.33Å; Y244-S248 PolarHBondContact O-N 2.63Å; Y244-S248 PolarHBondContact O-OG 3.33Å
245L97.9Very high97.3Very high79 Ų7965.8 Ų65.841%0.41434%0.338SS..Hα-helixtrans-63.2-48.5174.3-75.3169.2000110.7Q241 E242 T243 I247 S248 Q249Q241-L245 HydrophobicContact CG-CD1 4.37Å; Q241-L245 WeakPolarHBondContact O-CG 3.27Å; Q241-L245 PolarHBondContact O-N 3.38Å; E242-L245 WeakPolarHBondContact O-CB 3.39Å; E242-L245 PolarHBondContact O-N 2.83Å; E242-L245 VanDerWaalsContact O-N 3.08Å; T243-L245 VanDerWaalsContact C-N 3.33Å; T243-L245 PolarHBondContact O-N 3.02Å; L245-I247 PolarHBondContact O-N 3.49Å; L245-S248 PolarHBondContact O-N 3.36Å; L245-S248 PolarHBondContact O-OG 3.27Å; L245-Q249 WeakPolarHBondContact O-CB 3.28Å; L245-Q249 WeakPolarHBondContact O-CG 3.43Å; L245-Q249 PolarHBondContact O-N 3.29Å
246N98.4Very high97.1Very high22 Ų2274 Ų7412%0.11838%0.377CS..Hα-helixtrans-57-47.7177.4-72.6-23.5000111.6F235 E242 T243 Q249 V250 N251F235-N246 HydrophobicContact CB-CB 4.41Å; F235-N246 HydrophobicContact CD1-CB 4.18Å; F235-N246 PolarHBondContact O-ND2 2.74Å; E242-N246 PolarHBondContact O-N 3.01Å; T243-N246 PolarHBondContact O-N 2.82Å; N246-Q249 PolarHBondContact O-N 2.78Å; N246-V250 WeakPolarHBondContact O-CA 3.32Å; N246-V250 PolarHBondContact O-N 3.49Å; N246-N251 HydrophobicContact CB-CB 4.43Å; N246-N251 PolarHBondContact O-N 3.4Å; N246-N251 PolarHBondContact OD1-ND2 3.36Å; N246-N251 VanDerWaalsContact OD1-ND2 3.11Å
247I98.3Very high97Very high0 Ų078.9 Ų78.90%040%0.395CS..Hα-helixtrans-61.8-49.4176.5-64.9164.4000110.9P199 L202 P204 L207 W219 F235 T243 L245 Q249 V250P199-I247 WeakPolarHBondContact O-CD1 3.47Å; L202-I247 HydrophobicContact CB-CD1 4.47Å; L202-I247 VanDerWaalsContact O-CG2 3.29Å; L202-I247 WeakPolarHBondContact O-CG2 3.49Å; P204-I247 HydrophobicContact CB-CG2 4.49Å; P204-I247 HydrophobicContact CG-CG2 3.95Å; L207-I247 HydrophobicContact CD1-CB 3.84Å; L207-I247 HydrophobicContact CD1-CD1 4.42Å; L207-I247 HydrophobicContact CD1-CG2 3.53Å; L207-I247 HydrophobicContact CG-CG2 4.44Å; W219-I247 HydrophobicContact CZ2-CG2 4.04Å; F235-I247 HydrophobicContact CB-CD1 4.47Å; F235-I247 HydrophobicContact CB-CG1 3.74Å; F235-I247 HydrophobicContact CD1-CG1 4.12Å; F235-I247 HydrophobicContact CD2-CG1 4.32Å; F235-I247 HydrophobicContact CG-CG1 3.81Å; T243-I247 HydrophobicContact CG2-CD1 4.04Å; T243-I247 VanDerWaalsContact O-CG1 3.32Å; T243-I247 WeakPolarHBondContact O-CG1 3.43Å; T243-I247 PolarHBondContact O-N 3.35Å; L245-I247 PolarHBondContact O-N 3.49Å; I247-Q249 PolarHBondContact O-N 2.93Å; I247-V250 PolarHBondContact O-N 2.74Å; I247-V250 VanDerWaalsContact O-N 3.09Å
248S96.6Very high96.9Very high32 Ų3279.4 Ų79.422%0.22439%0.394CS..Hα-helixtrans-63.5-29.9-175.774.70000113Y244 L245 K276Y244-S248 WeakPolarHBondContact O-CB 3.33Å; Y244-S248 PolarHBondContact O-N 2.63Å; Y244-S248 PolarHBondContact O-OG 3.33Å; L245-S248 PolarHBondContact O-N 3.36Å; L245-S248 PolarHBondContact O-OG 3.27Å; S248-K276 VanDerWaalsContact O-CE 3.26Å; S248-K276 WeakPolarHBondContact O-CE 3.22Å; S248-K276 PolarHBondContact O-NZ 2.8Å
249Q97.7Very high97Very high130 Ų13071 Ų7161%0.60735%0.354SS*.Hα-helixtrans-94.4-10.8178.5-64.8178.51200112.5L245 N246 I247 N251L245-Q249 WeakPolarHBondContact O-CB 3.28Å; L245-Q249 WeakPolarHBondContact O-CG 3.43Å; L245-Q249 PolarHBondContact O-N 3.29Å; N246-Q249 PolarHBondContact O-N 2.78Å; I247-Q249 PolarHBondContact O-N 2.93Å; Q249-N251 HydrophobicContact CB-CB 4.4Å
250V98.1Very high96.9Very high35 Ų3571.3 Ų71.321%0.21236%0.364CS..THydrogen-bonded Turntrans53.547.3-169.4-165.30000110P204 W219 N246 I247 V252 L274 K276P204-V250 HydrophobicContact CG-CG2 4.49Å; W219-V250 HydrophobicContact CH2-CG1 4.19Å; W219-V250 HydrophobicContact CH2-CG2 4.18Å; W219-V250 HydrophobicContact CZ3-CG1 4.28Å; W219-V250 HydrophobicContact CZ3-CG2 4.32Å; N246-V250 WeakPolarHBondContact O-CA 3.32Å; N246-V250 PolarHBondContact O-N 3.49Å; I247-V250 PolarHBondContact O-N 2.74Å; I247-V250 VanDerWaalsContact O-N 3.09Å; V250-V252 HydrophobicContact CG1-CG2 4.43Å; V250-V252 PolarHBondContact O-N 2.81Å; V250-L274 WeakPolarHBondContact CG1-O 3.44Å; V250-K276 HydrophobicContact CG2-CB 3.67Å; V250-K276 HydrophobicContact CG2-CG 4.25Å
251N98Very high96.8Very high90 Ų9071.5 Ų71.548%0.48137%0.372SS..  trans-83.996.4177-175.235.7000108.5N246 Q249N246-N251 HydrophobicContact CB-CB 4.43Å; N246-N251 PolarHBondContact O-N 3.4Å; N246-N251 PolarHBondContact OD1-ND2 3.36Å; N246-N251 VanDerWaalsContact OD1-ND2 3.11Å; Q249-N251 HydrophobicContact CB-CB 4.4Å
252V98.3Very high96.8Very high18 Ų1865.7 Ų65.711%0.10935%0.346CS..  trans-118.3137.4-179.8-1770000108.5Y226 P234 F235 V250 Y254 L274Y226-V252 HydrophobicContact CD2-CG1 3.98Å; Y226-V252 HydrophobicContact CE2-CG1 3.46Å; Y226-V252 VanDerWaalsContact CE2-CG1 3.46Å; P234-V252 HydrophobicContact CB-CG1 4Å; F235-V252 HydrophobicContact CD1-CG2 4.16Å; F235-V252 HydrophobicContact CE1-CG2 3.22Å; F235-V252 HydrophobicContact CE2-CG2 4.34Å; F235-V252 HydrophobicContact CZ-CG2 3.32Å; V250-V252 HydrophobicContact CG1-CG2 4.43Å; V250-V252 PolarHBondContact O-N 2.81Å; V252-Y254 HydrophobicContact CB-CD2 4.17Å; V252-Y254 HydrophobicContact CB-CE2 3.59Å; V252-Y254 HydrophobicContact CG1-CD2 4.16Å; V252-Y254 HydrophobicContact CG1-CE1 4.1Å; V252-Y254 HydrophobicContact CG1-CE2 3.62Å; V252-Y254 HydrophobicContact CG2-CE2 4.47Å; V252-Y254 PolarHBondContact O-N 3.43Å; V252-L274 HydrophobicContact CG2-CD1 4.17Å
253D98.1Very high96.8Very high77 Ų7763.7 Ų63.741%0.41234%0.341SS..  trans-77.1116.3174.3-171.11.3000110.6Y226 S255 T258 F259Y226-D253 WeakPolarHBondContact CE2-O 3.35Å; Y226-D253 PolarHBondContact OH-O 2.94Å; Y226-D253 VanDerWaalsContact OH-O 3.05Å; D253-S255 WeakPolarHBondContact OD1-CB 3.49Å; D253-S255 PolarHBondContact OD1-N 3.07Å; D253-S255 PolarHBondContact OD1-OG 3.34Å; D253-S255 PolarHBondContact OD2-OG 2.96Å; D253-T258 PolarHBondContact OD2-OG1 3.22Å; D253-T258 VanDerWaalsContact OD2-OG1 3.13Å; D253-F259 VanDerWaalsContact O-CE2 3.24Å; D253-F259 WeakPolarHBondContact O-CE2 3.47Å
254Y97.8Very high96.8Very high70 Ų7069.4 Ų69.428%0.27537%0.367SS..  trans-119.527.4171.2-65.8-71.6000111Y226 V252 F259 T267 I270 Q271Y226-Y254 HydrophobicContact CD2-CE1 4.44Å; Y226-Y254 HydrophobicContact CE2-CE1 4.4Å; V252-Y254 HydrophobicContact CB-CD2 4.17Å; V252-Y254 HydrophobicContact CB-CE2 3.59Å; V252-Y254 HydrophobicContact CG1-CD2 4.16Å; V252-Y254 HydrophobicContact CG1-CE1 4.1Å; V252-Y254 HydrophobicContact CG1-CE2 3.62Å; V252-Y254 HydrophobicContact CG2-CE2 4.47Å; V252-Y254 PolarHBondContact O-N 3.43Å; Y254-F259 HydrophobicContact CD1-CD1 4.4Å; Y254-F259 HydrophobicContact CD1-CD2 4.22Å; Y254-F259 AromaticContact CD1-CE1 3.82Å; Y254-F259 HydrophobicContact CD1-CE1 3.82Å; Y254-F259 AromaticContact CD1-CE2 3.64Å; Y254-F259 HydrophobicContact CD1-CE2 3.64Å; Y254-F259 AromaticContact CD1-CZ 3.42Å; Y254-F259 HydrophobicContact CD1-CZ 3.42Å; Y254-F259 VanDerWaalsContact CD1-CZ 3.42Å; Y254-F259 HydrophobicContact CE1-CE1 4.12Å; Y254-F259 HydrophobicContact CE1-CE2 4.24Å; Y254-F259 AromaticContact CE1-CZ 3.66Å; Y254-F259 HydrophobicContact CE1-CZ 3.66Å; Y254-F259 HydrophobicContact CG-CE2 4.49Å; Y254-T267 HydrophobicContact CD1-CG2 4.16Å; Y254-T267 HydrophobicContact CE1-CG2 4.48Å; Y254-I270 HydrophobicContact CE1-CG2 4.2Å; Y254-I270 WeakPolarHBondContact OH-CG2 3.25Å; Y254-Q271 HydrophobicContact CD1-CG 4.47Å; Y254-Q271 HydrophobicContact CE1-CG 3.85Å; Y254-Q271 HydrophobicContact CE2-CG 3.93Å
255S97.4Very high96.8Very high44 Ų4469 Ų6931%0.30837%0.371SS..  trans-61.9155.1179.466.80000111.8D253 E257 T258 F259D253-S255 WeakPolarHBondContact OD1-CB 3.49Å; D253-S255 PolarHBondContact OD1-N 3.07Å; D253-S255 PolarHBondContact OD1-OG 3.34Å; D253-S255 PolarHBondContact OD2-OG 2.96Å; S255-E257 PolarHBondContact O-N 3.29Å; S255-T258 PolarHBondContact O-N 3.25Å; S255-T258 PolarHBondContact OG-N 3.37Å; S255-T258 PolarHBondContact OG-OG1 3.31Å; S255-F259 PolarHBondContact O-N 3.11Å
256E94.4Very high96.8Very high175 Ų17565.2 Ų65.282%0.81835%0.351SS*.Hα-helixtrans-57.7-31.6175-173.2-179176.400111.7S260E256-S260 VanDerWaalsContact O-CA 3.28Å; E256-S260 WeakPolarHBondContact O-CA 3.38Å; E256-S260 WeakPolarHBondContact O-CB 3.22Å; E256-S260 PolarHBondContact O-N 3.45Å
257E94.7Very high96.9Very high176 Ų17664.8 Ų64.882%0.82235%0.349SS*.Hα-helixtrans-62.7-50177-175170.6-176.300111.3S255 S260S255-E257 PolarHBondContact O-N 3.29Å; E257-S260 PolarHBondContact O-OG 2.91Å
258T95Very high96.9Very high32 Ų3267.7 Ų67.720%0.19637%0.365CS..Hα-helixtrans-73.1-35.5-179.7-54.50000113.1T230 D253 S255T230-T258 HydrophobicContact CG2-CG2 3.77Å; D253-T258 PolarHBondContact OD2-OG1 3.22Å; D253-T258 VanDerWaalsContact OD2-OG1 3.13Å; S255-T258 PolarHBondContact O-N 3.25Å; S255-T258 PolarHBondContact OG-N 3.37Å; S255-T258 PolarHBondContact OG-OG1 3.31Å
259F96.8Very high97Very high19 Ų1966.2 Ų66.28%0.08335%0.354CS..Hα-helixtrans-104.210.6-173-82.5-106.9000114.2Y226 T230 D253 Y254 S255 S261 V262 T267 I270Y226-F259 HydrophobicContact CD2-CE2 4.16Å; Y226-F259 AromaticContact CD2-CZ 3.7Å; Y226-F259 HydrophobicContact CD2-CZ 3.7Å; Y226-F259 AromaticContact CE2-CE2 3.49Å; Y226-F259 HydrophobicContact CE2-CE2 3.49Å; Y226-F259 VanDerWaalsContact CE2-CE2 3.49Å; Y226-F259 AromaticContact CE2-CZ 3.52Å; Y226-F259 HydrophobicContact CE2-CZ 3.52Å; T230-F259 HydrophobicContact CG2-CD2 4.36Å; T230-F259 HydrophobicContact CG2-CE2 3.74Å; T230-F259 HydrophobicContact CG2-CZ 3.84Å; D253-F259 VanDerWaalsContact O-CE2 3.24Å; D253-F259 WeakPolarHBondContact O-CE2 3.47Å; Y254-F259 HydrophobicContact CD1-CD1 4.4Å; Y254-F259 HydrophobicContact CD1-CD2 4.22Å; Y254-F259 AromaticContact CD1-CE1 3.82Å; Y254-F259 HydrophobicContact CD1-CE1 3.82Å; Y254-F259 AromaticContact CD1-CE2 3.64Å; Y254-F259 HydrophobicContact CD1-CE2 3.64Å; Y254-F259 AromaticContact CD1-CZ 3.42Å; Y254-F259 HydrophobicContact CD1-CZ 3.42Å; Y254-F259 VanDerWaalsContact CD1-CZ 3.42Å; Y254-F259 HydrophobicContact CE1-CE1 4.12Å; Y254-F259 HydrophobicContact CE1-CE2 4.24Å; Y254-F259 AromaticContact CE1-CZ 3.66Å; Y254-F259 HydrophobicContact CE1-CZ 3.66Å; Y254-F259 HydrophobicContact CG-CE2 4.49Å; S255-F259 PolarHBondContact O-N 3.11Å; F259-S261 PolarHBondContact O-N 3.19Å; F259-S261 VanDerWaalsContact O-N 3.1Å; F259-V262 HydrophobicContact CB-CB 4.32Å; F259-V262 HydrophobicContact CD1-CB 3.63Å; F259-V262 HydrophobicContact CD1-CG1 3.61Å; F259-V262 HydrophobicContact CD1-CG2 4.08Å; F259-V262 HydrophobicContact CE1-CB 4.26Å; F259-V262 HydrophobicContact CE1-CG1 3.83Å; F259-V262 HydrophobicContact CG-CB 4.25Å; F259-V262 HydrophobicContact CG-CG2 4.43Å; F259-V262 PolarHBondContact O-N 3.15Å; F259-T267 HydrophobicContact CD1-CG2 4.23Å; F259-T267 VanDerWaalsContact CD1-OG1 3.26Å; F259-T267 WeakPolarHBondContact CD1-OG1 3.45Å; F259-T267 HydrophobicContact CE1-CG2 4.22Å; F259-I270 HydrophobicContact CE1-CD1 4.17Å; F259-I270 HydrophobicContact CZ-CD1 4.36Å
260S94.3Very high97Very high95 Ų9560 Ų6066%0.66433%0.325SS*.THydrogen-bonded Turntrans-54.8-32-177.7530000114.5E256 E257E256-S260 VanDerWaalsContact O-CA 3.28Å; E256-S260 WeakPolarHBondContact O-CA 3.38Å; E256-S260 WeakPolarHBondContact O-CB 3.22Å; E256-S260 PolarHBondContact O-N 3.45Å; E257-S260 PolarHBondContact O-OG 2.91Å
261S92.3Very high97.1Very high98 Ų9862.1 Ų62.169%0.68533%0.333SS*.THydrogen-bonded Turntrans-105.44.3178.957.60000114.1F259F259-S261 PolarHBondContact O-N 3.19Å; F259-S261 VanDerWaalsContact O-N 3.1Å
262V96.3Very high97.1Very high16 Ų1659.5 Ų59.510%0.09732%0.321CS..SBendtrans-100.6128.6-176-178.70000109.7L229 F259 A266L229-V262 HydrophobicContact CB-CG1 4.41Å; L229-V262 HydrophobicContact CB-CG2 4.06Å; L229-V262 HydrophobicContact CD1-CG1 4.14Å; F259-V262 HydrophobicContact CB-CB 4.32Å; F259-V262 HydrophobicContact CD1-CB 3.63Å; F259-V262 HydrophobicContact CD1-CG1 3.61Å; F259-V262 HydrophobicContact CD1-CG2 4.08Å; F259-V262 HydrophobicContact CE1-CB 4.26Å; F259-V262 HydrophobicContact CE1-CG1 3.83Å; F259-V262 HydrophobicContact CG-CB 4.25Å; F259-V262 HydrophobicContact CG-CG2 4.43Å; F259-V262 PolarHBondContact O-N 3.15Å; V262-A266 HydrophobicContact CG1-CB 3.73Å
263S97.2Very high97.1Very high37 Ų3758.7 Ų58.726%0.25932%0.316SS..  trans-66.2150.9-17978.30000112.3E132 L265 A266 T267E132-S263 VanDerWaalsContact OE1-CB 3.29Å; E132-S263 WeakPolarHBondContact OE1-CB 3.39Å; E132-S263 PolarHBondContact OE1-OG 3.22Å; S263-L265 PolarHBondContact O-N 3.34Å; S263-A266 WeakPolarHBondContact O-CB 3.17Å; S263-A266 PolarHBondContact O-N 2.82Å; S263-A266 VanDerWaalsContact O-N 3.07Å; S263-A266 WeakPolarHBondContact OG-CB 3.49Å; S263-A266 PolarHBondContact OG-N 3.45Å; S263-T267 PolarHBondContact O-N 3.31Å; S263-T267 PolarHBondContact O-OG1 2.96Å
264Q97.7Very high97.2Very high125 Ų12555.3 Ų55.358%0.58430%0.298SS*.Hα-helixtrans-58.3-36.9176.7-173.660.552.800112A266 T267 D268Q264-A266 VanDerWaalsContact C-N 3.32Å; Q264-A266 PolarHBondContact O-N 2.94Å; Q264-T267 WeakPolarHBondContact O-CB 3.48Å; Q264-T267 PolarHBondContact O-N 2.92Å; Q264-D268 PolarHBondContact NE2-OD1 3.23Å; Q264-D268 WeakPolarHBondContact O-CB 3.32Å; Q264-D268 PolarHBondContact O-N 2.74Å
265L98.2Very high97.2Very high79 Ų7953.8 Ų53.841%0.41430%0.296SS..Hα-helixtrans-64.9-36177.8-70.5179000112.3S263 F269 H290 W292S263-L265 PolarHBondContact O-N 3.34Å; L265-F269 WeakPolarHBondContact O-CB 3.48Å; L265-F269 PolarHBondContact O-N 2.89Å; L265-H290 PolarHBondContact O-CE1 3.26Å; L265-W292 HydrophobicContact CB-CB 3.89Å; L265-W292 HydrophobicContact CB-CG 4.24Å; L265-W292 WeakPolarHBondContact O-CB 3.38Å
266A98.4Very high97.2Very high0 Ų057 Ų570%031%0.305CS..Hα-helixtrans-66.5-44.5173.300000111.2L229 V262 S263 Q264 D268 F269 I270 W292L229-A266 HydrophobicContact CD1-CB 3.76Å; V262-A266 HydrophobicContact CG1-CB 3.73Å; S263-A266 WeakPolarHBondContact O-CB 3.17Å; S263-A266 PolarHBondContact O-N 2.82Å; S263-A266 VanDerWaalsContact O-N 3.07Å; S263-A266 WeakPolarHBondContact OG-CB 3.49Å; S263-A266 PolarHBondContact OG-N 3.45Å; Q264-A266 VanDerWaalsContact C-N 3.32Å; Q264-A266 PolarHBondContact O-N 2.94Å; A266-D268 PolarHBondContact O-N 2.82Å; A266-F269 WeakPolarHBondContact O-CB 3.2Å; A266-F269 PolarHBondContact O-N 2.78Å; A266-I270 WeakPolarHBondContact O-CG1 3.25Å; A266-I270 PolarHBondContact O-N 2.98Å; A266-W292 HydrophobicContact CB-CD2 4.14Å; A266-W292 HydrophobicContact CB-CG 4.34Å; A266-W292 HydrophobicContact CB-CZ2 3.92Å; A266-W292 VanDerWaalsContact CB-NE1 3.34Å
267T98.6Very high97.4Very high12 Ų1251.8 Ų51.87%0.07428%0.282CS..Hα-helixtrans-58.4-47.4175.4-550000111.4Y254 F259 S263 Q264 F269 I270 Q271Y254-T267 HydrophobicContact CD1-CG2 4.16Å; Y254-T267 HydrophobicContact CE1-CG2 4.48Å; F259-T267 HydrophobicContact CD1-CG2 4.23Å; F259-T267 VanDerWaalsContact CD1-OG1 3.26Å; F259-T267 WeakPolarHBondContact CD1-OG1 3.45Å; F259-T267 HydrophobicContact CE1-CG2 4.22Å; S263-T267 PolarHBondContact O-N 3.31Å; S263-T267 PolarHBondContact O-OG1 2.96Å; Q264-T267 WeakPolarHBondContact O-CB 3.48Å; Q264-T267 PolarHBondContact O-N 2.92Å; T267-F269 VanDerWaalsContact C-N 3.31Å; T267-F269 PolarHBondContact O-N 3.18Å; T267-I270 PolarHBondContact O-N 2.84Å; T267-Q271 HydrophobicContact CG2-CG 4.33Å; T267-Q271 WeakPolarHBondContact O-CB 3.32Å; T267-Q271 WeakPolarHBondContact O-CG 3.12Å; T267-Q271 PolarHBondContact O-N 2.84Å
268D98.6Very high97.5Very high62 Ų6244.7 Ų44.733%0.33225%0.252SS..Hα-helixtrans-59.7-42177.4-65.2-16.6000111.2Q264 A266 Q271 S272Q264-D268 PolarHBondContact NE2-OD1 3.23Å; Q264-D268 WeakPolarHBondContact O-CB 3.32Å; Q264-D268 PolarHBondContact O-N 2.74Å; A266-D268 PolarHBondContact O-N 2.82Å; D268-Q271 PolarHBondContact O-N 3.13Å; D268-S272 WeakPolarHBondContact O-CB 3.1Å; D268-S272 PolarHBondContact O-N 2.85Å
269F98.8Very high97.6Very high0 Ų051.5 Ų51.50%028%0.281CS..Hα-helixtrans-60-51.1175.9179.1-93.1000111.3V139 L143 I221 A225 L265 A266 T267 S272 L273 C287 H290 W292 L293V139-F269 HydrophobicContact CG1-CE1 3.87Å; V139-F269 HydrophobicContact CG1-CZ 3.82Å; L143-F269 HydrophobicContact CD1-CE2 4.18Å; L143-F269 HydrophobicContact CD1-CZ 3.96Å; I221-F269 HydrophobicContact CG2-CE1 4.42Å; I221-F269 HydrophobicContact CG2-CZ 4.36Å; A225-F269 HydrophobicContact CB-CD1 4.31Å; A225-F269 HydrophobicContact CB-CE1 4.12Å; L265-F269 WeakPolarHBondContact O-CB 3.48Å; L265-F269 PolarHBondContact O-N 2.89Å; A266-F269 WeakPolarHBondContact O-CB 3.2Å; A266-F269 PolarHBondContact O-N 2.78Å; T267-F269 VanDerWaalsContact C-N 3.31Å; T267-F269 PolarHBondContact O-N 3.18Å; F269-S272 PolarHBondContact O-N 3.37Å; F269-S272 PolarHBondContact O-OG 3.03Å; F269-L273 HydrophobicContact CD1-CD1 4.12Å; F269-L273 HydrophobicContact CE1-CD1 3.47Å; F269-L273 VanDerWaalsContact CE1-CD1 3.47Å; F269-L273 HydrophobicContact CE2-CD1 4.4Å; F269-L273 HydrophobicContact CZ-CD1 3.64Å; F269-L273 PolarHBondContact O-N 3.2Å; F269-C287 HydrophobicContact CE2-CB 3.9Å; F269-C287 HydrophobicContact CZ-CB 4.41Å; F269-H290 HydrophobicContact CD2-CB 3.95Å; F269-H290 AromaticContact CD2-CG 3.7Å; F269-H290 AromaticContact CD2-ND1 3.74Å; F269-H290 HydrophobicContact CE2-CB 4.36Å; F269-W292 HydrophobicContact CB-CB 4.4Å; F269-W292 HydrophobicContact CB-CD2 4.29Å; F269-W292 HydrophobicContact CB-CE3 3.7Å; F269-W292 HydrophobicContact CB-CZ3 4.36Å; F269-W292 AromaticContact CD1-CE3 3.61Å; F269-W292 HydrophobicContact CD1-CE3 3.61Å; F269-W292 AromaticContact CD1-CZ3 3.46Å; F269-W292 HydrophobicContact CD1-CZ3 3.46Å; F269-W292 VanDerWaalsContact CD1-CZ3 3.46Å; F269-W292 AromaticContact CD2-CE3 3.91Å; F269-W292 HydrophobicContact CD2-CE3 3.91Å; F269-W292 HydrophobicContact CD2-CZ3 4.46Å; F269-W292 HydrophobicContact CE1-CE3 4.19Å; F269-W292 AromaticContact CE1-CZ3 3.77Å; F269-W292 HydrophobicContact CE1-CZ3 3.77Å; F269-W292 HydrophobicContact CE2-CE3 4.44Å; F269-W292 HydrophobicContact CG-CD2 4.47Å; F269-W292 AromaticContact CG-CE3 3.46Å; F269-W292 HydrophobicContact CG-CE3 3.46Å; F269-W292 VanDerWaalsContact CG-CE3 3.46Å; F269-W292 AromaticContact CG-CZ3 3.85Å; F269-W292 HydrophobicContact CG-CZ3 3.85Å; F269-W292 HydrophobicContact CZ-CZ3 4.38Å; F269-L293 HydrophobicContact CE2-CD1 4.09Å; F269-L293 HydrophobicContact CE2-CG 4.5Å
270I98.9Very high97.7Very high0 Ų058.2 Ų58.20%031%0.31CS..Hα-helixtrans-61.4-47.9179.5-63.4162.1000110.4A225 Y226 L229 Y254 F259 A266 T267 S272 L273 L274A225-I270 HydrophobicContact CB-CG1 4.07Å; Y226-I270 HydrophobicContact CD2-CG2 4.21Å; L229-I270 HydrophobicContact CD1-CD1 3.95Å; Y254-I270 HydrophobicContact CE1-CG2 4.2Å; Y254-I270 WeakPolarHBondContact OH-CG2 3.25Å; F259-I270 HydrophobicContact CE1-CD1 4.17Å; F259-I270 HydrophobicContact CZ-CD1 4.36Å; A266-I270 WeakPolarHBondContact O-CG1 3.25Å; A266-I270 PolarHBondContact O-N 2.98Å; T267-I270 PolarHBondContact O-N 2.84Å; I270-S272 PolarHBondContact O-N 2.89Å; I270-L273 PolarHBondContact O-N 2.92Å; I270-L274 HydrophobicContact CG2-CD1 3.59Å; I270-L274 HydrophobicContact CG2-CG 3.96Å; I270-L274 PolarHBondContact O-N 2.82Å
271Q98.8Very high97.9Very high80 Ų8054.3 Ų54.337%0.37428%0.281SS..Hα-helixtrans-63.7-28.5-178.7-74.5-179.8-8.100112.7Y254 T267 D268 L273 V275Y254-Q271 HydrophobicContact CD1-CG 4.47Å; Y254-Q271 HydrophobicContact CE1-CG 3.85Å; Y254-Q271 HydrophobicContact CE2-CG 3.93Å; T267-Q271 HydrophobicContact CG2-CG 4.33Å; T267-Q271 WeakPolarHBondContact O-CB 3.32Å; T267-Q271 WeakPolarHBondContact O-CG 3.12Å; T267-Q271 PolarHBondContact O-N 2.84Å; D268-Q271 PolarHBondContact O-N 3.13Å; Q271-L273 VanDerWaalsContact C-N 3.3Å; Q271-L273 PolarHBondContact O-N 3.35Å; Q271-V275 WeakPolarHBondContact O-CG1 3.42Å
272S98.8Very high98.2Very high35 Ų3550.7 Ų50.725%0.24526%0.255CS..Hα-helixtrans-68.4-28.8173.880.20000113.2D268 F269 I270 P282D268-S272 WeakPolarHBondContact O-CB 3.1Å; D268-S272 PolarHBondContact O-N 2.85Å; F269-S272 PolarHBondContact O-N 3.37Å; F269-S272 PolarHBondContact O-OG 3.03Å; I270-S272 PolarHBondContact O-N 2.89Å; S272-P282 WeakPolarHBondContact O-CD 3.47Å
273L98.9Very high98.3Very high0 Ų053 Ų530%027%0.27CS..Hα-helixtrans-93.4-41.5-177.1-69.9175.4000112.7M218 I221 F269 I270 Q271 V275 R281 P282M218-L273 HydrophobicContact CB-CD2 3.89Å; M218-L273 HydrophobicContact CE-CD2 3.8Å; I221-L273 HydrophobicContact CB-CD1 4.39Å; I221-L273 HydrophobicContact CG2-CD1 4.04Å; F269-L273 HydrophobicContact CD1-CD1 4.12Å; F269-L273 HydrophobicContact CE1-CD1 3.47Å; F269-L273 VanDerWaalsContact CE1-CD1 3.47Å; F269-L273 HydrophobicContact CE2-CD1 4.4Å; F269-L273 HydrophobicContact CZ-CD1 3.64Å; F269-L273 PolarHBondContact O-N 3.2Å; I270-L273 PolarHBondContact O-N 2.92Å; Q271-L273 VanDerWaalsContact C-N 3.3Å; Q271-L273 PolarHBondContact O-N 3.35Å; L273-V275 PolarHBondContact O-N 2.89Å; L273-R281 VanDerWaalsContact O-CD 3.25Å; L273-R281 WeakPolarHBondContact O-CD 3.36Å; L273-R281 WeakPolarHBondContact O-CG 3.47Å; L273-R281 PolarHBondContact O-NE 2.9Å; L273-P282 HydrophobicContact CD2-CG 3.87Å
274L98.8Very high98.4Very high7 Ų751.4 Ų51.44%0.03726%0.258CS..SBendtrans-81.460.6179.2-59.6-170.7000110.9W219 I223 F235 V250 V252 I270W219-L274 HydrophobicContact CD2-CD2 3.96Å; W219-L274 HydrophobicContact CE3-CD2 3.94Å; W219-L274 HydrophobicContact CG-CD2 4.48Å; W219-L274 HydrophobicContact CZ3-CB 4.25Å; W219-L274 HydrophobicContact CZ3-CD2 4.22Å; W219-L274 WeakPolarHBondContact O-CD2 3.42Å; I223-L274 HydrophobicContact CG1-CD2 3.95Å; F235-L274 HydrophobicContact CE2-CD1 4.14Å; F235-L274 HydrophobicContact CE2-CD2 4.13Å; F235-L274 HydrophobicContact CZ-CD1 4.11Å; F235-L274 HydrophobicContact CZ-CD2 4.38Å; V250-L274 WeakPolarHBondContact CG1-O 3.44Å; V252-L274 HydrophobicContact CG2-CD1 4.17Å; I270-L274 HydrophobicContact CG2-CD1 3.59Å; I270-L274 HydrophobicContact CG2-CG 3.96Å; I270-L274 PolarHBondContact O-N 2.82Å
275V98.3Very high98.4Very high38 Ų3850.5 Ų50.523%0.2325%0.254CS..  trans-115.9145.8174.6-61.20000111.5Q271 L273 N277 K280 R281Q271-V275 WeakPolarHBondContact O-CG1 3.42Å; L273-V275 PolarHBondContact O-N 2.89Å; V275-N277 PolarHBondContact O-N 3.21Å; V275-K280 HydrophobicContact CG2-CB 4.15Å; V275-R281 HydrophobicContact CG2-CB 4.4Å; V275-R281 HydrophobicContact CG2-CG 3.37Å; V275-R281 PolarHBondContact O-NE 2.91Å; V275-R281 PolarHBondContact O-NH2 2.93Å
276K98Very high98.4Very high112 Ų11251.7 Ų51.749%0.48726%0.26SS..SBendtrans-63.7-44.2-174.5-170.7165.2179.8162.10113.5P204 S248 V250 P278P204-K276 HydrophobicContact CB-CG 4.4Å; S248-K276 VanDerWaalsContact O-CE 3.26Å; S248-K276 WeakPolarHBondContact O-CE 3.22Å; S248-K276 PolarHBondContact O-NZ 2.8Å; V250-K276 HydrophobicContact CG2-CB 3.67Å; V250-K276 HydrophobicContact CG2-CG 4.25Å; K276-P278 WeakPolarHBondContact O-CD 3.25Å
277N97.8Very high98.5Very high64 Ų6451.8 Ų51.834%0.34226%0.26SS..SBendtrans-83.6115.4-179.6-178-8.3000109.6V275 E279 K280V275-N277 PolarHBondContact O-N 3.21Å; N277-E279 PolarHBondContact O-N 2.69Å; N277-E279 WeakPolarHBondContact OD1-CB 3.22Å; N277-E279 PolarHBondContact OD1-N 2.92Å; N277-K280 HydrophobicContact CB-CD 4.31Å; N277-K280 HydrophobicContact CB-CG 4.18Å; N277-K280 PolarHBondContact O-N 3.41Å; N277-K280 VanDerWaalsContact O-N 3.08Å
278P97.4Very high98.4Very high28 Ų2852.8 Ų52.818%0.18227%0.265CS..G310 helixtrans-59.6-30.7-179.923.6-33.8000113.5E205 A215 K276 K280 R281E205-P278 HydrophobicContact CB-CG 4.38Å; A215-P278 HydrophobicContact CB-CB 3.71Å; A215-P278 WeakPolarHBondContact CB-O 3.43Å; K276-P278 WeakPolarHBondContact O-CD 3.25Å; P278-K280 PolarHBondContact O-N 3.46Å; P278-R281 WeakPolarHBondContact O-CB 3.49Å; P278-R281 PolarHBondContact O-N 3.22Å; P278-R281 VanDerWaalsContact O-N 3.1Å
279E97.4Very high98.4Very high174 Ų17454 Ų5481%0.81328%0.279SS*.G310 helixtrans-67.6-18.1178.8-61.1-179164.800113.4N277N277-E279 PolarHBondContact O-N 2.69Å; N277-E279 WeakPolarHBondContact OD1-CB 3.22Å; N277-E279 PolarHBondContact OD1-N 2.92Å
280K98.4Very high98.4Very high161 Ų16156.1 Ų56.170%0.729%0.288SS*.G310 helixtrans-90.4-9.5176.2-66.1-171.1175.9-174.50113V275 N277 P278V275-K280 HydrophobicContact CG2-CB 4.15Å; N277-K280 HydrophobicContact CB-CD 4.31Å; N277-K280 HydrophobicContact CB-CG 4.18Å; N277-K280 PolarHBondContact O-N 3.41Å; N277-K280 VanDerWaalsContact O-N 3.08Å; P278-K280 PolarHBondContact O-N 3.46Å
281R98.6Very high98.3Very high13 Ų1359.9 Ų59.95%0.04932%0.315CS..SBendtrans-75133.4177.4-64.3-179.1-159.5140.79.1109E205 A215 L273 V275 P278E205-R281 VanDerWaalsContact CD-NH1 3.27Å; E205-R281 IonicContact OE1-CZ 3.02Å; E205-R281 IonicContact OE1-NH1 2.96Å; E205-R281 PolarHBondContact OE1-NH1 2.92Å; E205-R281 IonicContact OE1-NH2 3.82Å; E205-R281 IonicContact OE2-CZ 3.35Å; E205-R281 IonicContact OE2-NH1 3.74Å; E205-R281 PolarHBondContact OE2-NH1 3.41Å; E205-R281 VanDerWaalsContact OE2-NH1 3.1Å; E205-R281 IonicContact OE2-NH2 2.91Å; E205-R281 PolarHBondContact OE2-NH2 2.72Å; A215-R281 HydrophobicContact CB-CB 4.32Å; A215-R281 WeakPolarHBondContact O-CD 3.37Å; A215-R281 PolarHBondContact O-NH1 3.3Å; L273-R281 VanDerWaalsContact O-CD 3.25Å; L273-R281 WeakPolarHBondContact O-CD 3.36Å; L273-R281 WeakPolarHBondContact O-CG 3.47Å; L273-R281 PolarHBondContact O-NE 2.9Å; V275-R281 HydrophobicContact CG2-CB 4.4Å; V275-R281 HydrophobicContact CG2-CG 3.37Å; V275-R281 PolarHBondContact O-NE 2.91Å; V275-R281 PolarHBondContact O-NH2 2.93Å; P278-R281 WeakPolarHBondContact O-CB 3.49Å; P278-R281 PolarHBondContact O-N 3.22Å; P278-R281 VanDerWaalsContact O-N 3.1Å
282P98.7Very high98.2Very high22 Ų2256.4 Ų56.414%0.14330%0.298CS..PPolyproline II helixtrans-62.4151.2172.326.5-33.3000111S272 L273 I286 C287S272-P282 WeakPolarHBondContact O-CD 3.47Å; L273-P282 HydrophobicContact CD2-CG 3.87Å; P282-I286 HydrophobicContact CB-CB 3.95Å; P282-I286 HydrophobicContact CB-CG2 3.65Å; P282-C287 VanDerWaalsContact CG-SG 3.54Å
283T98.8Very high98.1Very high65 Ų6554.9 Ų54.940%0.39929%0.287SS..PPolyproline II helixtrans-73.5163.7172.163.20000110.6E285 I286 C287T283-E285 PolarHBondContact O-N 3.08Å; T283-I286 PolarHBondContact O-N 2.79Å; T283-I286 VanDerWaalsContact O-N 3.1Å; T283-I286 WeakPolarHBondContact OG1-CG1 3.37Å; T283-I286 PolarHBondContact OG1-N 2.81Å; T283-C287 PolarHBondContact O-N 3.24Å
284A98.7Very high97.6Very high2 Ų260 Ų602%0.01731%0.311CS..Hα-helixtrans-55-37.6174.200000112.6L143 V146 M218 C287 L288L143-A284 HydrophobicContact CD2-CB 4.18Å; V146-A284 HydrophobicContact CG1-CB 4.39Å; M218-A284 HydrophobicContact CE-CB 4.2Å; M218-A284 HydrophobicContact SD-CB 3.85Å; A284-C287 PolarHBondContact O-N 3.06Å; A284-L288 VanDerWaalsContact O-CG 3.32Å; A284-L288 WeakPolarHBondContact O-CG 3.34Å; A284-L288 PolarHBondContact O-N 3.01Å
285E98.4Very high96.3Very high106 Ų10664.2 Ų64.250%0.49533%0.33SS..Hα-helixtrans-62.8-44.9175.9-174.5176.9-161.900112.5Y147 T283 L288Y147-E285 HydrophobicContact CD2-CB 3.93Å; Y147-E285 HydrophobicContact CE2-CB 3.82Å; Y147-E285 HydrophobicContact CE2-CG 4.15Å; T283-E285 PolarHBondContact O-N 3.08Å; E285-L288 PolarHBondContact O-N 2.79Å
286I98.6Very high94.6Very high104 Ų10470.2 Ų70.253%0.53335%0.349SS..Hα-helixtrans-64.8-44176.6-66.6169.1000109.9P282 T283 L288 S289 H290P282-I286 HydrophobicContact CB-CB 3.95Å; P282-I286 HydrophobicContact CB-CG2 3.65Å; T283-I286 PolarHBondContact O-N 2.79Å; T283-I286 VanDerWaalsContact O-N 3.1Å; T283-I286 WeakPolarHBondContact OG1-CG1 3.37Å; T283-I286 PolarHBondContact OG1-N 2.81Å; I286-L288 VanDerWaalsContact C-N 3.33Å; I286-L288 PolarHBondContact O-N 3.21Å; I286-S289 PolarHBondContact O-N 2.89Å; I286-H290 PolarHBondContact O-N 2.84Å
287C98.7Very high92.8Very high2 Ų269.8 Ų69.81%0.01435%0.352CS..Hα-helixtrans-60.4-39.2177.3-76.50000113L143 M218 F269 P282 T283 A284 S289 H290 L293L143-C287 HydrophobicContact CD1-CB 3.79Å; L143-C287 HydrophobicContact CD2-CB 3.55Å; L143-C287 HydrophobicContact CG-CB 4.34Å; M218-C287 HydrophobicContact CE-CB 4.25Å; F269-C287 HydrophobicContact CE2-CB 3.9Å; F269-C287 HydrophobicContact CZ-CB 4.41Å; P282-C287 VanDerWaalsContact CG-SG 3.54Å; T283-C287 PolarHBondContact O-N 3.24Å; A284-C287 PolarHBondContact O-N 3.06Å; C287-S289 PolarHBondContact O-N 3.1Å; C287-S289 VanDerWaalsContact O-N 3.13Å; C287-H290 WeakPolarHBondContact O-CB 3.45Å; C287-H290 PolarHBondContact O-N 3.08Å; C287-L293 WeakPolarHBondContact O-CD1 3.5Å
288L98.3Very high91Very high34 Ų3476.3 Ų76.318%0.17838%0.378CS..Hα-helixtrans-59.9-22.1175.5-77166.8000113.2K140 L143 E144 Y147 A284 E285 I286 Q294K140-L288 HydrophobicContact CG-CD2 4.07Å; L143-L288 HydrophobicContact CB-CD2 3.63Å; L143-L288 HydrophobicContact CB-CG 3.92Å; L143-L288 HydrophobicContact CD1-CD2 4.44Å; E144-L288 HydrophobicContact CG-CD2 3.98Å; Y147-L288 HydrophobicContact CD1-CD1 4.4Å; Y147-L288 HydrophobicContact CG-CD1 4.18Å; A284-L288 VanDerWaalsContact O-CG 3.32Å; A284-L288 WeakPolarHBondContact O-CG 3.34Å; A284-L288 PolarHBondContact O-N 3.01Å; E285-L288 PolarHBondContact O-N 2.79Å; I286-L288 VanDerWaalsContact C-N 3.33Å; I286-L288 PolarHBondContact O-N 3.21Å; L288-Q294 PolarHBondContact O-NE2 3.08Å
289S97.5Very high89.1Confident88 Ų8883.4 Ų83.462%0.61541%0.409SS*.THydrogen-bonded Turntrans-96.82.4176.4-53.70000113.3I286 C287I286-S289 PolarHBondContact O-N 2.89Å; C287-S289 PolarHBondContact O-N 3.1Å; C287-S289 VanDerWaalsContact O-N 3.13Å
290H98.3Very high87Confident44 Ų4480.1 Ų80.120%0.20440%0.397CS..  trans-66.3139.2-179-169-90.7000111.3L265 F269 I286 C287 W292 L293 Q294L265-H290 PolarHBondContact O-CE1 3.26Å; F269-H290 HydrophobicContact CD2-CB 3.95Å; F269-H290 AromaticContact CD2-CG 3.7Å; F269-H290 AromaticContact CD2-ND1 3.74Å; F269-H290 HydrophobicContact CE2-CB 4.36Å; I286-H290 PolarHBondContact O-N 2.84Å; C287-H290 WeakPolarHBondContact O-CB 3.45Å; C287-H290 PolarHBondContact O-N 3.08Å; H290-W292 VanDerWaalsContact ND1-CB 3.33Å; H290-W292 WeakPolarHBondContact ND1-CB 3.48Å; H290-W292 PolarHBondContact ND1-N 2.85Å; H290-W292 PolarHBondContact O-N 2.81Å; H290-W292 VanDerWaalsContact O-N 3.17Å; H290-L293 PolarHBondContact O-N 2.98Å; H290-Q294 PolarHBondContact O-N 2.87Å; H290-Q294 PolarHBondContact O-NE2 3.26Å
291S96.8Very high84.5Confident79 Ų7979.9 Ų79.955%0.55240%0.402SS*.G310 helixtrans-56.2-35.5-174.9-570000113.6L293 Q294S291-L293 PolarHBondContact O-N 2.88Å; S291-Q294 PolarHBondContact O-N 2.98Å; S291-Q294 VanDerWaalsContact O-N 3.12Å
292W97.8Very high82.1Confident6 Ų685.8 Ų85.82%0.02343%0.429CS..G310 helixtrans-55.7-35.5174.2-176.150.4000113.3E132 V135 I136 V139 A225 L229 L265 A266 F269 H290E132-W292 PolarHBondContact OE1-NE1 2.85Å; V135-W292 HydrophobicContact CG1-CH2 3.99Å; V135-W292 HydrophobicContact CG1-CZ2 4.14Å; I136-W292 WeakPolarHBondContact CD1-O 3.43Å; I136-W292 HydrophobicContact CG1-CD2 4.07Å; I136-W292 VanDerWaalsContact CG1-CE2 3.46Å; I136-W292 HydrophobicContact CG1-CG 4.43Å; I136-W292 HydrophobicContact CG1-CH2 4.48Å; I136-W292 HydrophobicContact CG1-CZ2 3.7Å; V139-W292 HydrophobicContact CB-CH2 4.35Å; V139-W292 HydrophobicContact CB-CZ3 4.2Å; V139-W292 HydrophobicContact CG1-CZ3 3.96Å; V139-W292 HydrophobicContact CG2-CH2 4.08Å; V139-W292 HydrophobicContact CG2-CZ3 4.3Å; A225-W292 HydrophobicContact CB-CH2 4.47Å; L229-W292 HydrophobicContact CD1-CH2 4.14Å; L229-W292 HydrophobicContact CD1-CZ2 3.9Å; L229-W292 HydrophobicContact CD2-CZ2 4.46Å; L265-W292 HydrophobicContact CB-CB 3.89Å; L265-W292 HydrophobicContact CB-CG 4.24Å; L265-W292 WeakPolarHBondContact O-CB 3.38Å; A266-W292 HydrophobicContact CB-CD2 4.14Å; A266-W292 HydrophobicContact CB-CG 4.34Å; A266-W292 HydrophobicContact CB-CZ2 3.92Å; A266-W292 VanDerWaalsContact CB-NE1 3.34Å; F269-W292 HydrophobicContact CB-CB 4.4Å; F269-W292 HydrophobicContact CB-CD2 4.29Å; F269-W292 HydrophobicContact CB-CE3 3.7Å; F269-W292 HydrophobicContact CB-CZ3 4.36Å; F269-W292 AromaticContact CD1-CE3 3.61Å; F269-W292 HydrophobicContact CD1-CE3 3.61Å; F269-W292 AromaticContact CD1-CZ3 3.46Å; F269-W292 HydrophobicContact CD1-CZ3 3.46Å; F269-W292 VanDerWaalsContact CD1-CZ3 3.46Å; F269-W292 AromaticContact CD2-CE3 3.91Å; F269-W292 HydrophobicContact CD2-CE3 3.91Å; F269-W292 HydrophobicContact CD2-CZ3 4.46Å; F269-W292 HydrophobicContact CE1-CE3 4.19Å; F269-W292 AromaticContact CE1-CZ3 3.77Å; F269-W292 HydrophobicContact CE1-CZ3 3.77Å; F269-W292 HydrophobicContact CE2-CE3 4.44Å; F269-W292 HydrophobicContact CG-CD2 4.47Å; F269-W292 AromaticContact CG-CE3 3.46Å; F269-W292 HydrophobicContact CG-CE3 3.46Å; F269-W292 VanDerWaalsContact CG-CE3 3.46Å; F269-W292 AromaticContact CG-CZ3 3.85Å; F269-W292 HydrophobicContact CG-CZ3 3.85Å; F269-W292 HydrophobicContact CZ-CZ3 4.38Å; H290-W292 VanDerWaalsContact ND1-CB 3.33Å; H290-W292 WeakPolarHBondContact ND1-CB 3.48Å; H290-W292 PolarHBondContact ND1-N 2.85Å; H290-W292 PolarHBondContact O-N 2.81Å; H290-W292 VanDerWaalsContact O-N 3.17Å
293L95.8Very high80Confident3 Ų393 Ų932%0.01646%0.46CS..G310 helixtrans-90.6-7.8-178.9-55.5-175.5000113.5I136 V139 K140 L143 F269 C287 H290 S291 Q295I136-L293 HydrophobicContact CB-CD2 4.47Å; I136-L293 HydrophobicContact CG2-CD2 4.01Å; V139-L293 HydrophobicContact CG1-CD2 4.38Å; K140-L293 HydrophobicContact CB-CD1 4.46Å; L143-L293 HydrophobicContact CD1-CD1 3.3Å; F269-L293 HydrophobicContact CE2-CD1 4.09Å; F269-L293 HydrophobicContact CE2-CG 4.5Å; C287-L293 WeakPolarHBondContact O-CD1 3.5Å; H290-L293 PolarHBondContact O-N 2.98Å; S291-L293 PolarHBondContact O-N 2.88Å; L293-Q295 PolarHBondContact O-N 3.12Å; L293-Q295 VanDerWaalsContact O-N 3.11Å
294Q88.9Confident78.1Confident107 Ų10793.3 Ų93.350%0.546%0.463SS..  trans-85.967.2175.5-55.2-45.8-62.100109.5L288 H290 S291L288-Q294 PolarHBondContact O-NE2 3.08Å; H290-Q294 PolarHBondContact O-N 2.87Å; H290-Q294 PolarHBondContact O-NE2 3.26Å; S291-Q294 PolarHBondContact O-N 2.98Å; S291-Q294 VanDerWaalsContact O-N 3.12Å
295Q72Confident75.9Confident96 Ų96102.7 Ų102.745%0.44951%0.507SS..  trans-85.4134.8167.3-76.5-164.3-16.100110.6N133 I136 L293N133-Q295 PolarHBondContact OD1-NE2 3.42Å; N133-Q295 PolarHBondContact OD1-OE1 3.34Å; N133-Q295 VanDerWaalsContact OD1-OE1 3.1Å; I136-Q295 HydrophobicContact CD1-CG 4.03Å; I136-Q295 HydrophobicContact CG2-CG 4.38Å; L293-Q295 PolarHBondContact O-N 3.12Å; L293-Q295 VanDerWaalsContact O-N 3.11Å
296W62.5Low73.5Confident165 Ų165105.4 Ų105.463%0.62552%0.519SS*.  trans-78.5122.7172.6-148.5-77.9000108.6F298 F302W296-F298 PolarHBondContact O-N 2.91Å; W296-F298 VanDerWaalsContact O-N 3.15Å; W296-F302 AromaticContact CE2-CD2 3.95Å; W296-F302 HydrophobicContact CH2-CE2 4.36Å; W296-F302 AromaticContact CZ2-CD2 3.92Å; W296-F302 HydrophobicContact CZ2-CD2 3.92Å; W296-F302 HydrophobicContact CZ2-CE2 4.02Å
297D59.6Low71.1Confident103 Ų103106.6 Ų106.655%0.55153%0.531SS*.  trans-70.6110.1172-150.3-12000107.6E299 N300D297-E299 PolarHBondContact O-N 3.39Å; D297-N300 HydrophobicContact CB-CB 4.48Å; D297-N300 PolarHBondContact O-N 3.1Å
298F59.6Low68.7Low201 Ų201112.1 Ų112.188%0.88257%0.57SS**THydrogen-bonded Turntrans-61.3-17.8-173.5-79.8-86.3000113W296W296-F298 PolarHBondContact O-N 2.91Å; W296-F298 VanDerWaalsContact O-N 3.15Å
299E58Low66.2Low176 Ų176115.2 Ų115.282%0.82260%0.595SS**THydrogen-bonded Turntrans-81-18.4174.6-65.5-158.6160.400114D297 L301D297-E299 PolarHBondContact O-N 3.39Å; E299-L301 VanDerWaalsContact C-N 3.3Å; E299-L301 PolarHBondContact O-N 2.84Å
300N52.7Low63.5Low106 Ų106116 Ų11657%0.56760%0.601SS**SBendtrans-80.984.7171.9-74.4-40.1000108.8D297 F302D297-N300 HydrophobicContact CB-CB 4.48Å; D297-N300 PolarHBondContact O-N 3.1Å; N300-F302 PolarHBondContact O-N 3.22Å
301L45.7Very low60.7Low156 Ų156118.8 Ų118.882%0.81763%0.625SS**  trans-34.1113.6174.8-78.8163.5000111E299 H303E299-L301 VanDerWaalsContact C-N 3.3Å; E299-L301 PolarHBondContact O-N 2.84Å; L301-H303 PolarHBondContact O-N 2.91Å; L301-H303 VanDerWaalsContact O-N 3.13Å
302F48.1Very low58Low137 Ų137124.1 Ų124.160%0.60164%0.641SS**  trans-45.6115.1177.6-152.8-114.9000110.5W296 N300 P304W296-F302 AromaticContact CE2-CD2 3.95Å; W296-F302 HydrophobicContact CH2-CE2 4.36Å; W296-F302 AromaticContact CZ2-CD2 3.92Å; W296-F302 HydrophobicContact CZ2-CD2 3.92Å; W296-F302 HydrophobicContact CZ2-CE2 4.02Å; N300-F302 PolarHBondContact O-N 3.22Å; F302-P304 VanDerWaalsContact C-CD 3.43Å; F302-P304 HydrophobicContact CD1-CB 3.82Å; F302-P304 HydrophobicContact CD1-CG 3.92Å; F302-P304 HydrophobicContact CE1-CB 3.69Å; F302-P304 HydrophobicContact CE1-CG 4.27Å; F302-P304 WeakPolarHBondContact O-CD 3.36Å
303H55.7Low55.1Low174 Ų174131.3 Ų131.381%0.80668%0.678SS**  trans-95.988.2156.4-74-56.5000106.4L301 E305L301-H303 PolarHBondContact O-N 2.91Å; L301-H303 VanDerWaalsContact O-N 3.13Å; H303-E305 PolarHBondContact O-N 3.2Å
304P57.6Low52.3Low71 Ų71140 Ų14046%0.46172%0.719SS.*  trans-56.1140.9171.120.8-25.5000108.1F302 E306F302-P304 VanDerWaalsContact C-CD 3.43Å; F302-P304 HydrophobicContact CD1-CB 3.82Å; F302-P304 HydrophobicContact CD1-CG 3.92Å; F302-P304 HydrophobicContact CE1-CB 3.69Å; F302-P304 HydrophobicContact CE1-CG 4.27Å; F302-P304 WeakPolarHBondContact O-CD 3.36Å; P304-E306 PolarHBondContact O-N 3.05Å
305E52.8Low49.5Very low199 Ų199142.2 Ų142.293%0.9373%0.734SS**SBendtrans-68.356.2166.5-70.9-157.6154.900110.7H303H303-E305 PolarHBondContact O-N 3.2Å
306E48.5Very low47.7Very low162 Ų162146.7 Ų146.776%0.75776%0.755SS**  trans-10187.2155.3-74-169.8-177.900106.5P304 S308P304-E306 PolarHBondContact O-N 3.05Å; E306-S308 PolarHBondContact O-N 3.37Å
307T47.5Very low46.1Very low129 Ų129144.4 Ų144.479%0.79176%0.764SS**  trans-47.711616542.30000108.4S309T307-S309 PolarHBondContact O-N 2.91Å
308S49Very low44.9Very low118 Ų118147.1 Ų147.183%0.82578%0.776SS**  trans-69.377.9177.4-41.70000109.3E306 S310E306-S308 PolarHBondContact O-N 3.37Å; S308-S310 VanDerWaalsContact C-N 3.27Å; S308-S310 PolarHBondContact O-N 2.72Å
309S45.8Very low43.4Very low99 Ų99148.4 Ų148.469%0.69278%0.776SS**  trans-89.169.416464.90000109T307 S311T307-S309 PolarHBondContact O-N 2.91Å; S309-S311 PolarHBondContact O-N 2.92Å
310S40.8Very low41.9Very low106 Ų106144.4 Ų144.474%0.74177%0.767SS**  trans-80.793.9159.847.30000108.1S308 Q312S308-S310 VanDerWaalsContact C-N 3.27Å; S308-S310 PolarHBondContact O-N 2.72Å; S310-Q312 PolarHBondContact O-N 3.35Å
311S39.7Very low40.8Very low102 Ų102144.2 Ų144.271%0.71377%0.774SS**  trans-51.1119.3169.8-37.90000110S309 I313S309-S311 PolarHBondContact O-N 2.92Å; S311-I313 PolarHBondContact O-N 2.74Å
312Q40.8Very low40Very low190 Ų190145.3 Ų145.389%0.88878%0.775SS**  trans-64.7116.4163.8-67.7179-10.700108.6S310S310-Q312 PolarHBondContact O-N 3.35Å
313I36.8Very low39.1Very low158 Ų158144.5 Ų144.581%0.8178%0.777SS**  trans-127.9108.5157-60.5-177.6000106.7S311S311-I313 PolarHBondContact O-N 2.74Å
314Q35.3Very low37.8Very low186 Ų186143.7 Ų143.787%0.86977%0.771SS**  trans-71.8134.3168.3-81.2175.7-1700109.7
315D31.5Very low36.2Very low153 Ų153146 Ų14682%0.81878%0.784SS**  trans-53131.8164-97.6-38.2000111.7
316H32.9Very low35.2Very low190 Ų190142.1 Ų142.188%0.8878%0.778SS**  trans-168128.2131.8-103.1-58000112.6
317S30.4Very low34.2Very low117 Ų117144.2 Ų144.282%0.81879%0.785SS**  trans117.2116.2139.7-153.20000117
318I33.1Very low33.5Very low159 Ų159143.2 Ų143.282%0.81578%0.784SS**  trans-73.4129169.7-65164.3000109.5
319R29.5Very low32.6Very low229 Ų229142.8 Ų142.886%0.86478%0.781SS**  trans-171.8122.2135-115.1176.3179.4-155.5-1.5113.6
320S26.8Very low31.8Very low92 Ų92142.5 Ų142.564%0.64378%0.777SS**  trans41.1121135.964.20000119.7
321S29Very low31.4Very low101 Ų101145.1 Ų145.171%0.70678%0.783SS**  152.9124.4104-69.90000111.8
322E28.8Very low31Very low179 Ų179143.2 Ų143.284%0.83678%0.779SS**  trans51.5124.1135.7-60.4-175.9157.800122.1
323D28.6Very low30.6Very low121 Ų121140.5 Ų140.565%0.64778%0.776SS**  96.4124125.9-105.1-2.9000121.6
324K28.9Very low30.4Very low157 Ų157139.6 Ų139.668%0.68378%0.782SS**  trans79.1112.9131.7-84.3168.8-170.3146.20120.6
325T25Very low30.1Very low120 Ų120134.5 Ų134.574%0.73678%0.78SS**  52.1128124.957.10000116.8
326S30.1Very low30.2Very low116 Ų116134.7 Ų134.781%0.81178%0.781SS**  -175.5147.884.3-61.90000110.8
327K29.2Very low30.2Very low206 Ų206137.2 Ų137.290%0.89678%0.783SS**  trans-66152.1169.4-66.6159.8165.7172.90111.7
328S32.2Very low30.5Very low109 Ų109139.9 Ų139.976%0.76278%0.782SS**  -176119120.654.10000108.5
329S29.6Very low30.7Very low109 Ų109138.4 Ų138.476%0.76278%0.776SS**  59.6131.587.4-113.50000111.9
330C29.1Very low30.9Very low92 Ų92135.6 Ų135.662%0.62277%0.77SS**  cis174.7158.48.439.40000108.7
331N32.4Very low31.3Very low162 Ų162139.1 Ų139.187%0.86678%0.776SS**  trans65.1136.2146.2-58-10.6000118.7
332G32.2Very low31.4Very low61 Ų61141.9 Ų141.963%0.62978%0.783SS**  cis165.1158.54.800000111.1
333T32.1Very low31.7Very low134 Ų134140.5 Ų140.582%0.82278%0.78SS**  trans62.5112.1151.549.80000118.8
334C31.2Very low32.2Very low138 Ų138140.4 Ų140.493%0.93279%0.786SS**  76127.365.1-68.60000114.5
335G29.8Very low32.5Very low80 Ų80141.7 Ų141.783%0.82579%0.794SS**  trans172.390166.700000113.3
336D33.3Very low32.7Very low157 Ų157143 Ų14384%0.8480%0.797SS**  trans-69.7157.2169.8-60.4-55.5000113.2
337R33.7Very low32.6Very low243 Ų243142.9 Ų142.992%0.91780%0.796SS**  165.9153.4113.5-90.3177.7-179.5-172.7-1115.2
338E36Very low32.5Very low172 Ų172138 Ų13880%0.80479%0.788SS**  trans-87.1170.7-168.8-57.8160.8136.600115.6
339D37Very low32.4Very low129 Ų129142 Ų14269%0.6980%0.797SS**  trans106.1126.8130.8-92.37000124.3
340K34Very low32.3Very low170 Ų170143.2 Ų143.274%0.73980%0.799SS**  trans105.5115133.2-77.3175.8-174.3-1710124.8
341E35.6Very low32.3Very low166 Ų166144.5 Ų144.578%0.77681%0.809SS**  trans21.7137.3131.4-63.6-179153.300123.8
342N30.3Very low32.1Very low159 Ų159145.7 Ų145.785%0.8581%0.807SS**  177.3151.6109-103.4-37.9000115.6
343I34.7Very low31.9Very low149 Ų149153.9 Ų153.976%0.76482%0.819SS**  trans-97.2169.7172.6-45.8171.5000109.8
344P39.9Very low31.6Very low119 Ų119156.4 Ų156.477%0.77382%0.819SS**  -148.7175.197.934.9-13.8000117.9
345E34.9Very low31.5Very low185 Ų185160.7 Ų160.786%0.86482%0.815SS**  trans-46.8169.9-174.3-56.8164.3149.900118
346D29.2Very low31.5Very low148 Ų148166.7 Ų166.779%0.79182%0.819SS**  cis-17615142.9-1676.9000110.5
347S28.9Very low31.2Very low112 Ų112166.2 Ų166.278%0.78382%0.816SS**  trans173.3117.3133.775.20000112.6
348S27.1Very low31.2Very low105 Ų105162.1 Ų162.173%0.73481%0.813SS**  trans-58140.3169.757.60000115.9
349M30.5Very low31Very low192 Ų192158.5 Ų158.595%0.94681%0.806SS**  trans-147.4116.8144-102.8-168.4159.300110.7
350V26.5Very low30.9Very low135 Ų135160.7 Ų160.782%0.81882%0.817SS**  trans-78.2123175.3171.80000109
351S28.2Very low31.1Very low119 Ų119158.3 Ų158.383%0.83282%0.819SS**  trans-121.9134.5164-80.70000110.4
352K28.3Very low31Very low186 Ų186157.1 Ų157.181%0.80982%0.818SS**PPolyproline II helixtrans-77.1126.8-160-68.8167.6178.11720111.7
353R28.6Very low31.2Very low234 Ų234155.1 Ų155.188%0.88381%0.813SS**PPolyproline II helixtrans-71.8124.2169.9-161171.8-169.9161.53.1109.5
354F26.3Very low31.3Very low187 Ų187156.1 Ų156.182%0.8282%0.815SS**PPolyproline II helixtrans-100.6123.4163.2-90.9-85.8000109
355R29.2Very low31.2Very low228 Ų228159.4 Ų159.486%0.8682%0.82SS**PPolyproline II helixtrans-84133.2165.9-69.1-174.7-179-173.4-0.6107.4
356F28.8Very low31.1Very low205 Ų205159 Ų15990%0.89982%0.823SS**PPolyproline II helixtrans-88.7131.4157.3-98.9-89000108.8
357D28.2Very low31.5Very low147 Ų147158.8 Ų158.879%0.78683%0.826SS**PPolyproline II helixtrans-78.6128.5177.8-160.46.9000108.5S359D357-S359 PolarHBondContact O-N 2.68Å
358D32.5Very low31.7Very low158 Ų158158.1 Ų158.185%0.84582%0.821SS**  trans-68.7112.8174.5-82.8-42.4000109.4
359S32.9Very low32.1Very low95 Ų95160 Ų16066%0.66482%0.823SS**  trans-169.282.5154.942.20000112.7D357D357-S359 PolarHBondContact O-N 2.68Å
360L34.5Very low32.3Very low175 Ų175159.1 Ų159.192%0.91682%0.821SS**  trans-138.6140.6148.3-76.8178.5000111
361P37.2Very low32.8Very low121 Ų121161 Ų16179%0.78683%0.826SS**  trans-81.1154.7-162.131-34.3000114.8
362N33.8Very low33.4Very low141 Ų141165 Ų16575%0.75485%0.851SS**  trans-55.8131.9-177.5-156.1-0.1000113.6H364N362-H364 PolarHBondContact O-N 3.09Å; N362-H364 VanDerWaalsContact O-N 3.09Å
363P34.1Very low33.6Very low116 Ų116163.9 Ų163.975%0.75385%0.854SS**SBendtrans-86.176.8179.433.6-32.7000111.6
364H37.1Very low33.9Very low170 Ų170160.2 Ų160.279%0.78785%0.852SS**  trans-143.169162.7-91.1-69.7000109.5N362N362-H364 PolarHBondContact O-N 3.09Å; N362-H364 VanDerWaalsContact O-N 3.09Å
365E37.9Very low34.3Very low189 Ų189158.7 Ų158.788%0.88385%0.854SS**  trans-173.393.3159.2-110.7173.2-160.800108.9
366L34.3Very low34.6Very low177 Ų177154.6 Ų154.693%0.92785%0.853SS**  trans-165.563.7159.6-103.6153.4000108.2
367V36.7Very low35Very low142 Ų142151.5 Ų151.586%0.86185%0.851SS**  trans-130.391.2160.9179.50000106.8
368S33.6Very low35.4Very low98 Ų98151.8 Ų151.869%0.68586%0.855SS**  trans168.8137.1145.347.40000109.5
369D34.4Very low35.7Very low145 Ų145151.4 Ų151.478%0.77586%0.856SS**  trans105.186.5160.5-53.5-19.8000115.8
370L35.4Very low35.9Very low173 Ų173155.7 Ų155.791%0.90687%0.87SS**  -167.586.2129.3-97.8143000109.9
371L37.3Very low36Very low176 Ų176154.1 Ų154.192%0.92187%0.866SS**  trans-128.298.1154.6-96.7167.8000107.2
372C40Very low35.9Very low201 Ų201157.1 Ų157.1100%1.35887%0.874SS**  trans172.10145.4-88.90000108.6

Retrieved 372 of 372 residues in 418.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).