A0A077Z045_TRITR Loading...

Leucine rich repeat protein soc 2

AlphaFold DB , UniProt , Accession A0A077Z045, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 524 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
1M86.4Confident92.6Very high58 Ų5887 Ų8729%0.28641%0.409SS..  0-58.50-167.8167-75.200113.8K3 E4 F5 I23 I26 P27M1-K3 VanDerWaalsContact C-N 3.3Å; M1-K3 PolarHBondContact O-N 3.01Å; M1-E4 WeakPolarHBondContact O-CA 3.33Å; M1-E4 WeakPolarHBondContact O-CB 3.24Å; M1-E4 PolarHBondContact O-N 2.93Å; M1-F5 HydrophobicContact CG-CD1 3.89Å; M1-F5 HydrophobicContact CG-CD2 4.49Å; M1-F5 HydrophobicContact CG-CE1 3.43Å; M1-F5 VanDerWaalsContact CG-CE1 3.43Å; M1-F5 HydrophobicContact CG-CE2 4.1Å; M1-F5 HydrophobicContact CG-CG 4.4Å; M1-F5 HydrophobicContact CG-CZ 3.56Å; M1-F5 PolarHBondContact O-N 2.89Å; M1-F5 HydrophobicContact SD-CE1 3.83Å; M1-F5 HydrophobicContact SD-CE2 4.18Å; M1-F5 HydrophobicContact SD-CZ 3.48Å; M1-F5 WeakPolarHBondContact SD-CZ 3.28Å; M1-I23 HydrophobicContact CE-CB 4Å; M1-I23 HydrophobicContact CE-CD1 3.08Å; M1-I23 HydrophobicContact CE-CG1 3.45Å; M1-I23 VanDerWaalsContact CE-CG1 3.45Å; M1-I23 HydrophobicContact CE-CG2 3.33Å; M1-I26 HydrophobicContact SD-CG2 4.43Å; M1-P27 HydrophobicContact CG-CG 4.19Å; M1-P27 WeakPolarHBondContact SD-CD 3.37Å; M1-P27 HydrophobicContact SD-CG 3.98Å
2Q87.8Confident92.7Very high138 Ų13889.9 Ų89.965%0.64542%0.423SS*.Hα-helixtrans-54.5-41.2-178-74.9176.9-13.400114E4 F5 Q6 P27Q2-E4 VanDerWaalsContact C-N 3.33Å; Q2-E4 PolarHBondContact O-N 3.02Å; Q2-F5 PolarHBondContact O-N 2.8Å; Q2-Q6 PolarHBondContact O-N 3.34Å; Q2-P27 HydrophobicContact CG-CG 4.38Å
3K91.3Very high93Very high180 Ų18088.9 Ų88.978%0.78342%0.422SS*.Hα-helixtrans-59.2-41.9173.9-67.8-174.9178.6-178.10112.7M1 Q6 K7M1-K3 VanDerWaalsContact C-N 3.3Å; M1-K3 PolarHBondContact O-N 3.01Å; K3-Q6 PolarHBondContact O-N 3.41Å; K3-K7 WeakPolarHBondContact O-CB 3.12Å; K3-K7 PolarHBondContact O-N 2.89Å
4E93.8Very high93.3Very high78 Ų7888.1 Ų88.136%0.36443%0.426SS..Hα-helixtrans-69.6-35.7177.7-62.7-53.1134.700112.1M1 Q2 K7 C8 F16 M18M1-E4 WeakPolarHBondContact O-CA 3.33Å; M1-E4 WeakPolarHBondContact O-CB 3.24Å; M1-E4 PolarHBondContact O-N 2.93Å; Q2-E4 VanDerWaalsContact C-N 3.33Å; Q2-E4 PolarHBondContact O-N 3.02Å; E4-K7 PolarHBondContact O-N 3.28Å; E4-C8 VanDerWaalsContact O-CB 3.22Å; E4-C8 WeakPolarHBondContact O-CB 3.36Å; E4-C8 PolarHBondContact O-N 3.4Å; E4-F16 HydrophobicContact CB-CE2 3.97Å; E4-F16 HydrophobicContact CB-CZ 3.84Å; E4-M18 HydrophobicContact CB-SD 4.17Å; E4-M18 HydrophobicContact CG-SD 3.93Å
5F93.5Very high93.7Very high9 Ų990.9 Ų90.94%0.03943%0.43CS..Hα-helixtrans-63.1-46.7172.7-74.16.9000110.9M1 Q2 K7 C8 K9 F16 I26 P27 I30 L33M1-F5 HydrophobicContact CG-CD1 3.89Å; M1-F5 HydrophobicContact CG-CD2 4.49Å; M1-F5 HydrophobicContact CG-CE1 3.43Å; M1-F5 VanDerWaalsContact CG-CE1 3.43Å; M1-F5 HydrophobicContact CG-CE2 4.1Å; M1-F5 HydrophobicContact CG-CG 4.4Å; M1-F5 HydrophobicContact CG-CZ 3.56Å; M1-F5 PolarHBondContact O-N 2.89Å; M1-F5 HydrophobicContact SD-CE1 3.83Å; M1-F5 HydrophobicContact SD-CE2 4.18Å; M1-F5 HydrophobicContact SD-CZ 3.48Å; M1-F5 WeakPolarHBondContact SD-CZ 3.28Å; Q2-F5 PolarHBondContact O-N 2.8Å; F5-K7 VanDerWaalsContact C-N 3.34Å; F5-K7 PolarHBondContact O-N 3.25Å; F5-C8 PolarHBondContact O-N 3.16Å; F5-K9 WeakPolarHBondContact O-CB 3.03Å; F5-K9 PolarHBondContact O-N 3.13Å; F5-F16 AromaticContact CD1-CE1 3.83Å; F5-F16 HydrophobicContact CD1-CE1 3.83Å; F5-F16 HydrophobicContact CD1-CE2 4.33Å; F5-F16 AromaticContact CD1-CZ 3.58Å; F5-F16 HydrophobicContact CD1-CZ 3.58Å; F5-F16 HydrophobicContact CE1-CD1 4.39Å; F5-F16 AromaticContact CE1-CE1 3.5Å; F5-F16 HydrophobicContact CE1-CE1 3.5Å; F5-F16 VanDerWaalsContact CE1-CE1 3.5Å; F5-F16 AromaticContact CE1-CZ 3.73Å; F5-F16 HydrophobicContact CE1-CZ 3.73Å; F5-I26 HydrophobicContact CE2-CG2 4.37Å; F5-I26 HydrophobicContact CZ-CG2 4Å; F5-P27 HydrophobicContact CD2-CG 4.09Å; F5-P27 HydrophobicContact CE2-CG 3.56Å; F5-P27 HydrophobicContact CZ-CG 4.27Å; F5-I30 HydrophobicContact CE2-CB 3.67Å; F5-I30 HydrophobicContact CE2-CG1 4.26Å; F5-I30 HydrophobicContact CZ-CB 4.07Å; F5-I30 HydrophobicContact CZ-CD1 4.26Å; F5-I30 HydrophobicContact CZ-CG1 4.23Å; F5-L33 HydrophobicContact CB-CD1 4.17Å; F5-L33 HydrophobicContact CB-CD2 4.38Å; F5-L33 HydrophobicContact CD1-CD1 3.78Å; F5-L33 HydrophobicContact CD2-CD1 4.26Å; F5-L33 HydrophobicContact CE1-CD1 4.16Å; F5-L33 HydrophobicContact CG-CD1 3.83Å; F5-L33 WeakPolarHBondContact O-CD2 3.3Å
6Q92.5Very high93.9Very high94 Ų9486.1 Ų86.144%0.43941%0.407SS..Hα-helixtrans-60.6-45.8178-173.260.125.200111.2Q2 K3 C8 K9 E10Q2-Q6 PolarHBondContact O-N 3.34Å; K3-Q6 PolarHBondContact O-N 3.41Å; Q6-C8 PolarHBondContact O-N 3.44Å; Q6-K9 WeakPolarHBondContact O-CB 3.35Å; Q6-K9 PolarHBondContact O-N 3.04Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.42Å; Q6-E10 PolarHBondContact NE2-OE1 3Å; Q6-E10 WeakPolarHBondContact O-CB 3.44Å; Q6-E10 WeakPolarHBondContact O-CG 3.47Å; Q6-E10 PolarHBondContact O-N 2.98Å
7K94.8Very high94.1Very high131 Ų13185.4 Ų85.457%0.5741%0.406SS*.Hα-helixtrans-59.2-45.2175.7-174.2178.6177.5-175.30112.2K3 E4 F5 K9 E10 S11K3-K7 WeakPolarHBondContact O-CB 3.12Å; K3-K7 PolarHBondContact O-N 2.89Å; E4-K7 PolarHBondContact O-N 3.28Å; F5-K7 VanDerWaalsContact C-N 3.34Å; F5-K7 PolarHBondContact O-N 3.25Å; K7-K9 VanDerWaalsContact C-N 3.33Å; K7-K9 PolarHBondContact O-N 3.17Å; K7-E10 PolarHBondContact O-N 3.16Å; K7-S11 WeakPolarHBondContact O-CB 3.15Å; K7-S11 PolarHBondContact O-N 2.97Å; K7-S11 PolarHBondContact O-OG 3.06Å; K7-S11 VanDerWaalsContact O-OG 3.09Å
8C95.1Very high94.2Very high3 Ų382.2 Ų82.22%0.0239%0.392CS..Hα-helixtrans-61.9-40177176.80000112.4E4 F5 Q6 S11 Q12 N13 F16 L33 Q35E4-C8 VanDerWaalsContact O-CB 3.22Å; E4-C8 WeakPolarHBondContact O-CB 3.36Å; E4-C8 PolarHBondContact O-N 3.4Å; F5-C8 PolarHBondContact O-N 3.16Å; Q6-C8 PolarHBondContact O-N 3.44Å; C8-S11 PolarHBondContact O-OG 3.04Å; C8-Q12 PolarHBondContact O-N 3.17Å; C8-N13 PolarHBondContact O-N 2.97Å; C8-N13 VanDerWaalsContact O-N 3.1Å; C8-F16 HydrophobicContact CB-CD2 3.58Å; C8-F16 HydrophobicContact CB-CE2 3.82Å; C8-F16 VanDerWaalsContact SG-CD2 3.57Å; C8-L33 HydrophobicContact CB-CD2 4.38Å; C8-Q35 PolarHBondContact O-NE2 3.33Å
9K93.5Very high94.3Very high69 Ų6979.4 Ų79.430%0.338%0.381SS..Hα-helixtrans-67-47176.8-169.2179.9-175.4-179.50111.6F5 Q6 K7 Q12 D32 L33F5-K9 WeakPolarHBondContact O-CB 3.03Å; F5-K9 PolarHBondContact O-N 3.13Å; Q6-K9 WeakPolarHBondContact O-CB 3.35Å; Q6-K9 PolarHBondContact O-N 3.04Å; K7-K9 VanDerWaalsContact C-N 3.33Å; K7-K9 PolarHBondContact O-N 3.17Å; K9-Q12 PolarHBondContact O-N 3.24Å; K9-Q12 PolarHBondContact O-NE2 3.05Å; K9-D32 HydrophobicContact CD-CB 4.14Å; K9-D32 IonicContact NZ-OD2 3.83Å; K9-D32 PolarHBondContact NZ-OD2 3.02Å; K9-L33 HydrophobicContact CB-CD2 3.84Å
10E94.7Very high94.5Very high138 Ų13879.3 Ų79.365%0.64539%0.389SS*.Hα-helixtrans-64.6-40179.5-75.3171.5-174.300112Q6 K7 Q12Q6-E10 WeakPolarHBondContact CG-OE1 3.42Å; Q6-E10 PolarHBondContact NE2-OE1 3Å; Q6-E10 WeakPolarHBondContact O-CB 3.44Å; Q6-E10 WeakPolarHBondContact O-CG 3.47Å; Q6-E10 PolarHBondContact O-N 2.98Å; K7-E10 PolarHBondContact O-N 3.16Å; E10-Q12 PolarHBondContact O-N 3.11Å
11S95Very high94.5Very high59 Ų5977.9 Ų77.941%0.41339%0.388SS..THydrogen-bonded Turntrans-81.4-2.1178.676.10000113.8K7 C8 N13K7-S11 WeakPolarHBondContact O-CB 3.15Å; K7-S11 PolarHBondContact O-N 2.97Å; K7-S11 PolarHBondContact O-OG 3.06Å; K7-S11 VanDerWaalsContact O-OG 3.09Å; C8-S11 PolarHBondContact O-OG 3.04Å; S11-N13 PolarHBondContact O-N 3.31Å; S11-N13 VanDerWaalsContact O-N 3.17Å; S11-N13 PolarHBondContact O-OD1 3.34Å; S11-N13 PolarHBondContact OG-ND2 3.35Å; S11-N13 PolarHBondContact OG-OD1 3.16Å
12Q94.4Very high94.9Very high122 Ų12280.4 Ų80.457%0.5740%0.402SS*.THydrogen-bonded Turntrans51.435.9-176.3-66.5-68-56.500112.9C8 K9 E10 T14C8-Q12 PolarHBondContact O-N 3.17Å; K9-Q12 PolarHBondContact O-N 3.24Å; K9-Q12 PolarHBondContact O-NE2 3.05Å; E10-Q12 PolarHBondContact O-N 3.11Å; Q12-T14 PolarHBondContact O-N 3.12Å
13N96.2Very high95.3Very high77 Ų7774.6 Ų74.641%0.41238%0.375SS..  trans-67.2130.9179.9-75.9-0.2000109.8C8 S11 R15 Q35 L36C8-N13 PolarHBondContact O-N 2.97Å; C8-N13 VanDerWaalsContact O-N 3.1Å; S11-N13 PolarHBondContact O-N 3.31Å; S11-N13 VanDerWaalsContact O-N 3.17Å; S11-N13 PolarHBondContact O-OD1 3.34Å; S11-N13 PolarHBondContact OG-ND2 3.35Å; S11-N13 PolarHBondContact OG-OD1 3.16Å; N13-R15 VanDerWaalsContact C-N 3.35Å; N13-Q35 VanDerWaalsContact O-CG 3.31Å; N13-Q35 WeakPolarHBondContact O-CG 3.48Å; N13-Q35 PolarHBondContact O-NE2 3.31Å; N13-L36 VanDerWaalsContact O-CD2 3.31Å; N13-L36 WeakPolarHBondContact O-CD2 3.35Å
14T98Very high95.5Very high77 Ų7770.3 Ų70.347%0.47236%0.364SS..SBendtrans-86.9-8.6174.759.60000112.9Q12 T37 E38Q12-T14 PolarHBondContact O-N 3.12Å; T14-T37 PolarHBondContact O-N 2.85Å; T14-T37 PolarHBondContact O-OG1 3.04Å; T14-E38 PolarHBondContact O-N 3.03Å
15R98.2Very high95.6Very high131 Ų13170.2 Ų70.249%0.49437%0.372SS..EExtended strand (participates in β ladder)trans-122.7132.5174.5175.8177.5175.1146.6-6.8109.7N13 D17 E38 F40N13-R15 VanDerWaalsContact C-N 3.35Å; R15-D17 IonicContact NH2-OD2 2.79Å; R15-E38 WeakPolarHBondContact CA-O 3.36Å; R15-E38 HydrophobicContact CB-CB 4.17Å; R15-E38 WeakPolarHBondContact CD-OE2 3.16Å; R15-E38 HydrophobicContact CG-CB 4.03Å; R15-E38 IonicContact CZ-OE2 3.16Å; R15-E38 IonicContact NE-OE2 2.86Å; R15-E38 IonicContact NH1-OE2 3.85Å; R15-E38 PolarHBondContact NH1-OE2 3.02Å; R15-F40 HydrophobicContact CG-CE2 4.39Å
16F97.6Very high95.7Very high13 Ų1370.3 Ų70.36%0.05737%0.373CS..EExtended strand (participates in β ladder)trans-132127175.1-171.9-102.8000110.5E4 F5 C8 M18 L36 E38 L39 F40E4-F16 HydrophobicContact CB-CE2 3.97Å; E4-F16 HydrophobicContact CB-CZ 3.84Å; F5-F16 AromaticContact CD1-CE1 3.83Å; F5-F16 HydrophobicContact CD1-CE1 3.83Å; F5-F16 HydrophobicContact CD1-CE2 4.33Å; F5-F16 AromaticContact CD1-CZ 3.58Å; F5-F16 HydrophobicContact CD1-CZ 3.58Å; F5-F16 HydrophobicContact CE1-CD1 4.39Å; F5-F16 AromaticContact CE1-CE1 3.5Å; F5-F16 HydrophobicContact CE1-CE1 3.5Å; F5-F16 VanDerWaalsContact CE1-CE1 3.5Å; F5-F16 AromaticContact CE1-CZ 3.73Å; F5-F16 HydrophobicContact CE1-CZ 3.73Å; C8-F16 HydrophobicContact CB-CD2 3.58Å; C8-F16 HydrophobicContact CB-CE2 3.82Å; C8-F16 VanDerWaalsContact SG-CD2 3.57Å; F16-M18 HydrophobicContact CD1-CG 4.16Å; F16-M18 HydrophobicContact CE1-CB 4.08Å; F16-M18 HydrophobicContact CE1-CG 3.2Å; F16-M18 HydrophobicContact CE2-CG 4.28Å; F16-M18 HydrophobicContact CZ-CG 3.28Å; F16-M18 HydrophobicContact CZ-SD 4.08Å; F16-L36 HydrophobicContact CB-CD1 3.91Å; F16-L36 HydrophobicContact CB-CD2 3.57Å; F16-L36 HydrophobicContact CB-CG 4.43Å; F16-E38 PolarHBondContact N-O 3.26Å; F16-L39 HydrophobicContact CB-CD1 4.26Å; F16-L39 HydrophobicContact CD1-CD1 3.68Å; F16-L39 HydrophobicContact CG-CD1 4.46Å; F16-L39 WeakPolarHBondContact O-CA 3.45Å; F16-F40 PolarHBondContact O-N 3.05Å
17D97.1Very high95.9Very high75 Ų7567.4 Ų67.440%0.40136%0.362SS..EExtended strand (participates in β ladder)trans-129.8118.5-176.9-164.9-22.1000109.1R15 S19 F40R15-D17 IonicContact NH2-OD2 2.79Å; D17-S19 WeakPolarHBondContact OD1-CB 3.04Å; D17-S19 PolarHBondContact OD1-N 3.09Å; D17-S19 PolarHBondContact OD1-OG 2.85Å; D17-F40 WeakPolarHBondContact CA-O 3.49Å; D17-F40 HydrophobicContact CB-CB 4.22Å; D17-F40 HydrophobicContact CB-CD2 4.49Å
18M96.1Very high95.9Very high28 Ų2864.1 Ų64.114%0.13836%0.356CS..  trans-128.538.5173.6-76.7-71.8-58.200109.7E4 F16 S21 I23 F40 L41 N44E4-M18 HydrophobicContact CB-SD 4.17Å; E4-M18 HydrophobicContact CG-SD 3.93Å; F16-M18 HydrophobicContact CD1-CG 4.16Å; F16-M18 HydrophobicContact CE1-CB 4.08Å; F16-M18 HydrophobicContact CE1-CG 3.2Å; F16-M18 HydrophobicContact CE2-CG 4.28Å; F16-M18 HydrophobicContact CZ-CG 3.28Å; F16-M18 HydrophobicContact CZ-SD 4.08Å; M18-S21 WeakPolarHBondContact O-CB 3.32Å; M18-S21 PolarHBondContact O-OG 3Å; M18-I23 HydrophobicContact CB-CD1 3.64Å; M18-I23 HydrophobicContact CE-CD1 3.84Å; M18-I23 HydrophobicContact CE-CG1 4.45Å; M18-I23 HydrophobicContact CG-CD1 4.46Å; M18-I23 WeakPolarHBondContact O-CD1 3.28Å; M18-F40 PolarHBondContact N-O 3.18Å; M18-L41 HydrophobicContact CB-CD2 3.95Å; M18-N44 PolarHBondContact O-ND2 3.23Å
19S96.7Very high96Very high28 Ų2865.6 Ų65.620%0.19637%0.366CS..THydrogen-bonded Turntrans-65.7149.7176.1-53.70000110.9D17 S21 Y42D17-S19 WeakPolarHBondContact OD1-CB 3.04Å; D17-S19 PolarHBondContact OD1-N 3.09Å; D17-S19 PolarHBondContact OD1-OG 2.85Å; S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.2Å; S19-S21 PolarHBondContact O-OG 3.23Å; S19-S21 VanDerWaalsContact O-OG 3.14Å; S19-Y42 CarbonylContact C-O 3.55Å; S19-Y42 WeakPolarHBondContact CA-O 3.41Å; S19-Y42 WeakPolarHBondContact CB-O 3.26Å; S19-Y42 VanDerWaalsContact OG-CD2 3.23Å; S19-Y42 WeakPolarHBondContact OG-CD2 3.36Å; S19-Y42 PolarHBondContact OG-N 3.26Å
20S96.7Very high96.1Very high78 Ų7862.4 Ų62.455%0.54535%0.352SS..THydrogen-bonded Turntrans54.137.8176.7-51.90000114.3Y42 K43S20-Y42 PolarHBondContact N-O 3.14Å; S20-K43 WeakPolarHBondContact CA-O 3.24Å; S20-K43 PolarHBondContact N-O 3.23Å
21S96Very high96.2Very high50 Ų5062 Ų6235%0.3535%0.345SS..SBendtrans-111.617.4-173.2-64.80000113.3M18 S19 I23 N44M18-S21 WeakPolarHBondContact O-CB 3.32Å; M18-S21 PolarHBondContact O-OG 3Å; S19-S21 VanDerWaalsContact C-N 3.26Å; S19-S21 PolarHBondContact O-N 3.2Å; S19-S21 PolarHBondContact O-OG 3.23Å; S19-S21 VanDerWaalsContact O-OG 3.14Å; S21-I23 PolarHBondContact O-N 2.95Å; S21-I23 VanDerWaalsContact O-N 3.11Å; S21-N44 PolarHBondContact N-OD1 3.39Å; S21-N44 VanDerWaalsContact N-OD1 3.14Å
22D94.4Very high96.2Very high111 Ų11162.2 Ų62.259%0.59434%0.341SS*.  trans54.128.6-179.5-78.8-55.9000114.6T24 N44 K45D22-T24 PolarHBondContact O-N 3.46Å; D22-N44 PolarHBondContact N-OD1 2.95Å; D22-K45 WeakPolarHBondContact OD1-CE 3.48Å; D22-K45 IonicContact OD1-NZ 2.71Å; D22-K45 PolarHBondContact OD1-NZ 2.86Å
23I94.8Very high96.4Very high16 Ų1656.4 Ų56.48%0.08231%0.314CS..  trans-74.4129.8-175.8-61.4158.8000110.2M1 M18 S21 S25 N44 K45 L46M1-I23 HydrophobicContact CE-CB 4Å; M1-I23 HydrophobicContact CE-CD1 3.08Å; M1-I23 HydrophobicContact CE-CG1 3.45Å; M1-I23 VanDerWaalsContact CE-CG1 3.45Å; M1-I23 HydrophobicContact CE-CG2 3.33Å; M18-I23 HydrophobicContact CB-CD1 3.64Å; M18-I23 HydrophobicContact CE-CD1 3.84Å; M18-I23 HydrophobicContact CE-CG1 4.45Å; M18-I23 HydrophobicContact CG-CD1 4.46Å; M18-I23 WeakPolarHBondContact O-CD1 3.28Å; S21-I23 PolarHBondContact O-N 2.95Å; S21-I23 VanDerWaalsContact O-N 3.11Å; I23-S25 VanDerWaalsContact CG2-O 3.24Å; I23-S25 WeakPolarHBondContact CG2-O 3.31Å; I23-N44 HydrophobicContact CB-CB 4.19Å; I23-N44 WeakPolarHBondContact CB-OD1 3.36Å; I23-N44 PolarHBondContact N-OD1 3.23Å; I23-K45 CarbonylContact O-C 3.23Å; I23-K45 WeakPolarHBondContact O-CA 3.5Å; I23-K45 PolarHBondContact O-N 2.89Å; I23-L46 HydrophobicContact CG2-CD2 3.78Å
24T96.4Very high96.4Very high90 Ų9056 Ų5655%0.55232%0.315SS*.  trans-99.9-22.9174.854.30000113.6D22 K45D22-T24 PolarHBondContact O-N 3.46Å; T24-K45 HydrophobicContact CG2-CB 4.13Å; T24-K45 HydrophobicContact CG2-CD 4.48Å
25S96Very high96.4Very high75 Ų7553.6 Ų53.652%0.52430%0.298SS..  trans-154.1152.1179.962.90000112I23I23-S25 VanDerWaalsContact CG2-O 3.24Å; I23-S25 WeakPolarHBondContact CG2-O 3.31Å
26I96.2Very high96.4Very high12 Ų1247.4 Ų47.46%0.06227%0.274CS..  trans-100.7127.3172.8-55.3171.6000108.4M1 F5 I30 L41 L46 L49 P50M1-I26 HydrophobicContact SD-CG2 4.43Å; F5-I26 HydrophobicContact CE2-CG2 4.37Å; F5-I26 HydrophobicContact CZ-CG2 4Å; I26-I30 HydrophobicContact CG2-CB 3.91Å; I26-I30 HydrophobicContact CG2-CD1 3.55Å; I26-I30 HydrophobicContact CG2-CG1 4.32Å; I26-I30 HydrophobicContact CG2-CG2 4.02Å; I26-L41 HydrophobicContact CD1-CD1 3.4Å; I26-L41 HydrophobicContact CG1-CD1 4.27Å; I26-L46 HydrophobicContact CD1-CD1 4.06Å; I26-L46 HydrophobicContact CD1-CD2 4.45Å; I26-L46 HydrophobicContact CG1-CD1 4.28Å; I26-L46 HydrophobicContact CG1-CD2 3.86Å; I26-L49 HydrophobicContact CD1-CD2 3.56Å; I26-P50 HydrophobicContact CB-CG 3.82Å; I26-P50 HydrophobicContact CG2-CG 3.88Å
27P95.6Very high96.4Very high32 Ų3248.9 Ų48.921%0.20829%0.285CS..  trans-73.4151177.730.7-31.3000111M1 Q2 F5 S29 I30M1-P27 HydrophobicContact CG-CG 4.19Å; M1-P27 WeakPolarHBondContact SD-CD 3.37Å; M1-P27 HydrophobicContact SD-CG 3.98Å; Q2-P27 HydrophobicContact CG-CG 4.38Å; F5-P27 HydrophobicContact CD2-CG 4.09Å; F5-P27 HydrophobicContact CE2-CG 3.56Å; F5-P27 HydrophobicContact CZ-CG 4.27Å; P27-S29 PolarHBondContact O-N 3.16Å; P27-I30 WeakPolarHBondContact O-CG2 3.34Å; P27-I30 PolarHBondContact O-N 3.09Å
28S95.8Very high96.5Very high62 Ų6247 Ų4743%0.43427%0.273SS..G310 helixtrans-58.9-19.8178.854.50000114.1I30 R31 E52S28-I30 PolarHBondContact O-N 2.93Å; S28-R31 WeakPolarHBondContact O-CG 3.19Å; S28-R31 PolarHBondContact O-N 3.04Å; S28-R31 VanDerWaalsContact O-N 3.11Å; S28-E52 WeakPolarHBondContact CB-OE1 3.35Å
29S95.8Very high96.6Very high35 Ų3545.6 Ų45.625%0.24527%0.267CS..G310 helixtrans-62-9.2172.758.80000113.9P27 R31 D32P27-S29 PolarHBondContact O-N 3.16Å; S29-R31 PolarHBondContact O-N 2.95Å; S29-D32 WeakPolarHBondContact O-CB 3.48Å; S29-D32 PolarHBondContact O-N 3.08Å; S29-D32 VanDerWaalsContact O-N 3.14Å
30I97.1Very high96.7Very high1 Ų145.1 Ų45.11%0.00526%0.261CS..G310 helixtrans-55.4-28.1168.5-167.1162.6000112.4F5 I26 P27 S28 D32 L33 L39 P50 E52 I53 L56F5-I30 HydrophobicContact CE2-CB 3.67Å; F5-I30 HydrophobicContact CE2-CG1 4.26Å; F5-I30 HydrophobicContact CZ-CB 4.07Å; F5-I30 HydrophobicContact CZ-CD1 4.26Å; F5-I30 HydrophobicContact CZ-CG1 4.23Å; I26-I30 HydrophobicContact CG2-CB 3.91Å; I26-I30 HydrophobicContact CG2-CD1 3.55Å; I26-I30 HydrophobicContact CG2-CG1 4.32Å; I26-I30 HydrophobicContact CG2-CG2 4.02Å; P27-I30 WeakPolarHBondContact O-CG2 3.34Å; P27-I30 PolarHBondContact O-N 3.09Å; S28-I30 PolarHBondContact O-N 2.93Å; I30-D32 PolarHBondContact O-N 3.18Å; I30-L33 HydrophobicContact CG1-CD1 4.47Å; I30-L33 PolarHBondContact O-N 2.99Å; I30-L39 HydrophobicContact CD1-CD2 3.91Å; I30-P50 HydrophobicContact CG2-CG 4.14Å; I30-E52 HydrophobicContact CG2-CB 3.81Å; I30-I53 HydrophobicContact CD1-CD1 3.65Å; I30-L56 HydrophobicContact CD1-CD1 4.14Å; I30-L56 HydrophobicContact CG1-CD1 4.06Å; I30-L56 HydrophobicContact CG1-CD2 4.49Å; I30-L56 WeakPolarHBondContact O-CD2 3.4Å
31R96.5Very high96.8Very high131 Ų13141.6 Ų41.649%0.49424%0.236SC..G310 helixtrans-54.8-2317775-170-174.7-177.8-0.7114S28 S29 L33 V34 E52 N55S28-R31 WeakPolarHBondContact O-CG 3.19Å; S28-R31 PolarHBondContact O-N 3.04Å; S28-R31 VanDerWaalsContact O-N 3.11Å; S29-R31 PolarHBondContact O-N 2.95Å; R31-L33 VanDerWaalsContact C-N 3.33Å; R31-V34 VanDerWaalsContact O-CG1 3.29Å; R31-V34 WeakPolarHBondContact O-CG1 3.39Å; R31-E52 HydrophobicContact CB-CB 3.95Å; R31-E52 HydrophobicContact CB-CG 4.06Å; R31-N55 HydrophobicContact CB-CB 4.06Å
32D95.9Very high96.8Very high62 Ų6241.9 Ų41.933%0.33223%0.23SC..G310 helixtrans-82.6-11.4-177.4-73.819000112.8K9 S29 I30 V34K9-D32 HydrophobicContact CD-CB 4.14Å; K9-D32 IonicContact NZ-OD2 3.83Å; K9-D32 PolarHBondContact NZ-OD2 3.02Å; S29-D32 WeakPolarHBondContact O-CB 3.48Å; S29-D32 PolarHBondContact O-N 3.08Å; S29-D32 VanDerWaalsContact O-N 3.14Å; I30-D32 PolarHBondContact O-N 3.18Å; D32-V34 PolarHBondContact O-N 3.04Å
33L97.2Very high96.9Very high1 Ų141.8 Ų41.81%0.00522%0.224CC..  trans-90.438.7-176.7-54.3-176.6000112.4F5 C8 K9 I30 R31 Q35 L36 L56F5-L33 HydrophobicContact CB-CD1 4.17Å; F5-L33 HydrophobicContact CB-CD2 4.38Å; F5-L33 HydrophobicContact CD1-CD1 3.78Å; F5-L33 HydrophobicContact CD2-CD1 4.26Å; F5-L33 HydrophobicContact CE1-CD1 4.16Å; F5-L33 HydrophobicContact CG-CD1 3.83Å; F5-L33 WeakPolarHBondContact O-CD2 3.3Å; C8-L33 HydrophobicContact CB-CD2 4.38Å; K9-L33 HydrophobicContact CB-CD2 3.84Å; I30-L33 HydrophobicContact CG1-CD1 4.47Å; I30-L33 PolarHBondContact O-N 2.99Å; R31-L33 VanDerWaalsContact C-N 3.33Å; L33-Q35 VanDerWaalsContact CA-OE1 3.3Å; L33-Q35 PolarHBondContact O-N 3.18Å; L33-Q35 PolarHBondContact O-OE1 3.09Å; L33-L36 HydrophobicContact CB-CD1 3.58Å; L33-L36 HydrophobicContact CB-CG 3.91Å; L33-L36 HydrophobicContact CD1-CD1 3.9Å; L33-L36 HydrophobicContact CG-CD1 4.39Å; L33-L36 WeakPolarHBondContact O-CB 3.33Å; L33-L36 VanDerWaalsContact O-CG 3.28Å; L33-L36 WeakPolarHBondContact O-CG 3.22Å; L33-L36 PolarHBondContact O-N 2.59Å; L33-L56 HydrophobicContact CB-CD2 4.17Å; L33-L56 WeakPolarHBondContact O-CD2 3.47Å
34V96.4Very high97.1Very high69 Ų6941.4 Ų41.442%0.41822%0.222SC..THydrogen-bonded Turntrans-59.7-19.1-173-62.40000114.2R31 D32 L36 N58R31-V34 VanDerWaalsContact O-CG1 3.29Å; R31-V34 WeakPolarHBondContact O-CG1 3.39Å; D32-V34 PolarHBondContact O-N 3.04Å; V34-L36 PolarHBondContact O-N 3.25Å; V34-N58 PolarHBondContact O-ND2 3.23Å
35Q97.4Very high97.2Very high26 Ų2641.1 Ų41.112%0.12121%0.213CC..THydrogen-bonded Turntrans-72.1-12.2175.978.7-71.5-8.700113.5C8 N13 L33 T37C8-Q35 PolarHBondContact O-NE2 3.33Å; N13-Q35 VanDerWaalsContact O-CG 3.31Å; N13-Q35 WeakPolarHBondContact O-CG 3.48Å; N13-Q35 PolarHBondContact O-NE2 3.31Å; L33-Q35 VanDerWaalsContact CA-OE1 3.3Å; L33-Q35 PolarHBondContact O-N 3.18Å; L33-Q35 PolarHBondContact O-OE1 3.09Å; Q35-T37 PolarHBondContact O-N 3.07Å
36L98.4Very high97.3Very high0 Ų037.6 Ų37.60%019%0.188CC..  trans-66.3134-176.8-69.9178.6000112.7N13 F16 L33 V34 L56 N58 L59N13-L36 VanDerWaalsContact O-CD2 3.31Å; N13-L36 WeakPolarHBondContact O-CD2 3.35Å; F16-L36 HydrophobicContact CB-CD1 3.91Å; F16-L36 HydrophobicContact CB-CD2 3.57Å; F16-L36 HydrophobicContact CB-CG 4.43Å; L33-L36 HydrophobicContact CB-CD1 3.58Å; L33-L36 HydrophobicContact CB-CG 3.91Å; L33-L36 HydrophobicContact CD1-CD1 3.9Å; L33-L36 HydrophobicContact CG-CD1 4.39Å; L33-L36 WeakPolarHBondContact O-CB 3.33Å; L33-L36 VanDerWaalsContact O-CG 3.28Å; L33-L36 WeakPolarHBondContact O-CG 3.22Å; L33-L36 PolarHBondContact O-N 2.59Å; V34-L36 PolarHBondContact O-N 3.25Å; L36-L56 HydrophobicContact CD1-CD1 4.34Å; L36-N58 CarbonylContact O-C 3.02Å; L36-N58 WeakPolarHBondContact O-CB 2.99Å; L36-L59 HydrophobicContact CB-CD1 4.13Å; L36-L59 WeakPolarHBondContact O-CA 3.48Å; L36-L59 PolarHBondContact O-N 2.81Å
37T98.7Very high97.3Very high44 Ų4440.4 Ų40.427%0.2721%0.206SC..SBendtrans-112.9-26.6171.864.10000111.5T14 Q35 R60 K61T14-T37 PolarHBondContact O-N 2.85Å; T14-T37 PolarHBondContact O-OG1 3.04Å; Q35-T37 PolarHBondContact O-N 3.07Å; T37-R60 WeakPolarHBondContact O-CA 3.49Å; T37-R60 WeakPolarHBondContact O-CB 3.44Å; T37-R60 PolarHBondContact O-N 3.48Å; T37-K61 PolarHBondContact O-N 2.98Å
38E98.8Very high97.4Very high35 Ų3543.1 Ų43.116%0.16422%0.223CC..EExtended strand (participates in β ladder)trans-131.6126.4176.7-58.2-170.9160.700110.1T14 R15 F16 F40 K61T14-E38 PolarHBondContact O-N 3.03Å; R15-E38 WeakPolarHBondContact CA-O 3.36Å; R15-E38 HydrophobicContact CB-CB 4.17Å; R15-E38 WeakPolarHBondContact CD-OE2 3.16Å; R15-E38 HydrophobicContact CG-CB 4.03Å; R15-E38 IonicContact CZ-OE2 3.16Å; R15-E38 IonicContact NE-OE2 2.86Å; R15-E38 IonicContact NH1-OE2 3.85Å; R15-E38 PolarHBondContact NH1-OE2 3.02Å; F16-E38 PolarHBondContact N-O 3.26Å; E38-F40 HydrophobicContact CB-CE2 3.93Å; E38-F40 HydrophobicContact CB-CZ 4.07Å; E38-K61 HydrophobicContact CG-CB 4.23Å; E38-K61 HydrophobicContact CG-CD 4.17Å; E38-K61 HydrophobicContact CG-CG 4.33Å; E38-K61 WeakPolarHBondContact OE1-CD 3.27Å; E38-K61 WeakPolarHBondContact OE1-CE 3.31Å; E38-K61 IonicContact OE1-NZ 2.81Å; E38-K61 PolarHBondContact OE1-NZ 2.56Å
39L98.5Very high97.5Very high0 Ų040.8 Ų40.80%021%0.205CC..EExtended strand (participates in β ladder)trans-129.3118.4176.9175.558.6000109.9F16 I30 L41 I53 L56 L59 K61 L62 G63F16-L39 HydrophobicContact CB-CD1 4.26Å; F16-L39 HydrophobicContact CD1-CD1 3.68Å; F16-L39 HydrophobicContact CG-CD1 4.46Å; F16-L39 WeakPolarHBondContact O-CA 3.45Å; I30-L39 HydrophobicContact CD1-CD2 3.91Å; L39-L41 HydrophobicContact CD1-CD1 4.22Å; L39-L41 HydrophobicContact CD1-CD2 4.09Å; L39-L41 HydrophobicContact CD1-CG 3.97Å; L39-L41 HydrophobicContact CD2-CD1 4.16Å; L39-L41 HydrophobicContact CG-CD1 4.11Å; L39-L41 HydrophobicContact CG-CG 4.12Å; L39-I53 HydrophobicContact CD2-CD1 3.63Å; L39-L56 HydrophobicContact CD2-CD1 3.83Å; L39-L59 HydrophobicContact CB-CD1 3.71Å; L39-L59 HydrophobicContact CB-CD2 4.3Å; L39-K61 PolarHBondContact N-O 2.97Å; L39-L62 HydrophobicContact CB-CD1 4.12Å; L39-L62 HydrophobicContact CD2-CD1 3.91Å; L39-L62 HydrophobicContact CG-CD1 3.99Å; L39-L62 WeakPolarHBondContact O-CA 3.34Å; L39-G63 PolarHBondContact O-N 3.04Å
40F98.5Very high97.6Very high18 Ų1840.3 Ų40.38%0.07920%0.201CC..EExtended strand (participates in β ladder)trans-119.8121.9-178.3-59.7-50.1000110.8R15 F16 D17 M18 E38 Y42 K61R15-F40 HydrophobicContact CG-CE2 4.39Å; F16-F40 PolarHBondContact O-N 3.05Å; D17-F40 WeakPolarHBondContact CA-O 3.49Å; D17-F40 HydrophobicContact CB-CB 4.22Å; D17-F40 HydrophobicContact CB-CD2 4.49Å; M18-F40 PolarHBondContact N-O 3.18Å; E38-F40 HydrophobicContact CB-CE2 3.93Å; E38-F40 HydrophobicContact CB-CZ 4.07Å; F40-Y42 HydrophobicContact CB-CD2 3.93Å; F40-Y42 HydrophobicContact CB-CE2 3.53Å; F40-Y42 HydrophobicContact CD1-CD2 4.48Å; F40-Y42 HydrophobicContact CD1-CE1 4.47Å; F40-Y42 AromaticContact CD1-CE2 3.35Å; F40-Y42 HydrophobicContact CD1-CE2 3.35Å; F40-Y42 AromaticContact CD1-CZ 3.35Å; F40-Y42 WeakPolarHBondContact CD1-OH 3.49Å; F40-Y42 HydrophobicContact CE1-CE2 4.19Å; F40-Y42 AromaticContact CE1-CZ 3.97Å; F40-Y42 WeakPolarHBondContact CE1-OH 3.47Å; F40-Y42 HydrophobicContact CG-CD2 4.46Å; F40-Y42 AromaticContact CG-CE2 3.59Å; F40-Y42 HydrophobicContact CG-CE2 3.59Å; F40-K61 HydrophobicContact CE1-CB 4.28Å; F40-K61 HydrophobicContact CZ-CB 4.39Å; F40-K61 HydrophobicContact CZ-CD 4.45Å
41L97.8Very high97.6Very high3 Ų343.6 Ų43.62%0.01622%0.224CC..  trans-134.530.2-175.3-60.6173000110.8M18 I26 L39 N44 L46 G63 L64 N67M18-L41 HydrophobicContact CB-CD2 3.95Å; I26-L41 HydrophobicContact CD1-CD1 3.4Å; I26-L41 HydrophobicContact CG1-CD1 4.27Å; L39-L41 HydrophobicContact CD1-CD1 4.22Å; L39-L41 HydrophobicContact CD1-CD2 4.09Å; L39-L41 HydrophobicContact CD1-CG 3.97Å; L39-L41 HydrophobicContact CD2-CD1 4.16Å; L39-L41 HydrophobicContact CG-CD1 4.11Å; L39-L41 HydrophobicContact CG-CG 4.12Å; L41-N44 PolarHBondContact O-ND2 3.41Å; L41-L46 HydrophobicContact CB-CD1 4.18Å; L41-L46 HydrophobicContact CD1-CD1 4.21Å; L41-G63 PolarHBondContact N-O 3.07Å; L41-L64 HydrophobicContact CB-CD2 4.19Å; L41-L64 HydrophobicContact CD1-CD2 4.05Å; L41-N67 PolarHBondContact O-ND2 2.93Å
42Y96.2Very high97.7Very high56 Ų5639.5 Ų39.522%0.2221%0.211CC..  trans-63.8155.8-176.7-45.4-69.8000111.7S19 S20 F40 N44 G63 S65 D86S19-Y42 CarbonylContact C-O 3.55Å; S19-Y42 WeakPolarHBondContact CA-O 3.41Å; S19-Y42 WeakPolarHBondContact CB-O 3.26Å; S19-Y42 VanDerWaalsContact OG-CD2 3.23Å; S19-Y42 WeakPolarHBondContact OG-CD2 3.36Å; S19-Y42 PolarHBondContact OG-N 3.26Å; S20-Y42 PolarHBondContact N-O 3.14Å; F40-Y42 HydrophobicContact CB-CD2 3.93Å; F40-Y42 HydrophobicContact CB-CE2 3.53Å; F40-Y42 HydrophobicContact CD1-CD2 4.48Å; F40-Y42 HydrophobicContact CD1-CE1 4.47Å; F40-Y42 AromaticContact CD1-CE2 3.35Å; F40-Y42 HydrophobicContact CD1-CE2 3.35Å; F40-Y42 AromaticContact CD1-CZ 3.35Å; F40-Y42 WeakPolarHBondContact CD1-OH 3.49Å; F40-Y42 HydrophobicContact CE1-CE2 4.19Å; F40-Y42 AromaticContact CE1-CZ 3.97Å; F40-Y42 WeakPolarHBondContact CE1-OH 3.47Å; F40-Y42 HydrophobicContact CG-CD2 4.46Å; F40-Y42 AromaticContact CG-CE2 3.59Å; F40-Y42 HydrophobicContact CG-CE2 3.59Å; Y42-N44 PolarHBondContact O-N 2.67Å; Y42-N44 PolarHBondContact O-ND2 3.28Å; Y42-G63 VanDerWaalsContact CE1-C 3.42Å; Y42-G63 VanDerWaalsContact CZ-CA 3.45Å; Y42-S65 CarbonylContact C-O 3.49Å; Y42-S65 WeakPolarHBondContact CA-O 3.38Å; Y42-S65 WeakPolarHBondContact CD1-OG 3.44Å; Y42-D86 HydrophobicContact CE1-CB 4.17Å
43K98Very high97.8Very high110 Ų11036.6 Ų36.648%0.47820%0.195SC..SBendtrans56.546.8172.7-64.8-179.2175.5-1770113.3S20 S65 E66S20-K43 WeakPolarHBondContact CA-O 3.24Å; S20-K43 PolarHBondContact N-O 3.23Å; K43-S65 PolarHBondContact N-O 3.15Å; K43-E66 CarbonylContact C-O 3.57Å; K43-E66 VanDerWaalsContact CA-O 3.23Å; K43-E66 WeakPolarHBondContact CA-O 3.12Å; K43-E66 HydrophobicContact CB-CB 4.44Å; K43-E66 WeakPolarHBondContact CE-OE1 3.43Å; K43-E66 WeakPolarHBondContact CE-OE2 3.37Å; K43-E66 HydrophobicContact CG-CB 3.82Å; K43-E66 VanDerWaalsContact CG-CD 3.45Å; K43-E66 HydrophobicContact CG-CG 4.25Å; K43-E66 WeakPolarHBondContact CG-OE2 3.4Å; K43-E66 PolarHBondContact N-O 3.28Å
44N98.1Very high97.8Very high7 Ų736.7 Ų36.74%0.03720%0.197CC..SBendtrans-119.6-169.8175.1-78.5-62.2000109.6M18 S21 D22 I23 L41 Y42 L46 E66 N67M18-N44 PolarHBondContact O-ND2 3.23Å; S21-N44 PolarHBondContact N-OD1 3.39Å; S21-N44 VanDerWaalsContact N-OD1 3.14Å; D22-N44 PolarHBondContact N-OD1 2.95Å; I23-N44 HydrophobicContact CB-CB 4.19Å; I23-N44 WeakPolarHBondContact CB-OD1 3.36Å; I23-N44 PolarHBondContact N-OD1 3.23Å; L41-N44 PolarHBondContact O-ND2 3.41Å; Y42-N44 PolarHBondContact O-N 2.67Å; Y42-N44 PolarHBondContact O-ND2 3.28Å; N44-L46 HydrophobicContact CB-CG 4.28Å; N44-E66 PolarHBondContact N-O 3.12Å; N44-N67 WeakPolarHBondContact CA-OD1 3.44Å; N44-N67 WeakPolarHBondContact CB-OD1 3.48Å; N44-N67 PolarHBondContact O-OD1 3.04Å
45K97.9Very high97.9Very high85 Ų8537.3 Ų37.337%0.3720%0.197SC..  trans-115.927.8-177.3-59.8175.2-176.2152.50111D22 I23 T24 T47 N67 Y68D22-K45 WeakPolarHBondContact OD1-CE 3.48Å; D22-K45 IonicContact OD1-NZ 2.71Å; D22-K45 PolarHBondContact OD1-NZ 2.86Å; I23-K45 CarbonylContact O-C 3.23Å; I23-K45 WeakPolarHBondContact O-CA 3.5Å; I23-K45 PolarHBondContact O-N 2.89Å; T24-K45 HydrophobicContact CG2-CB 4.13Å; T24-K45 HydrophobicContact CG2-CD 4.48Å; K45-T47 PolarHBondContact O-N 3.48Å; K45-N67 PolarHBondContact N-OD1 2.58Å; K45-Y68 HydrophobicContact CB-CD2 4.08Å; K45-Y68 HydrophobicContact CB-CE2 3.76Å; K45-Y68 HydrophobicContact CG-CE2 3.84Å
46L98.1Very high97.9Very high0 Ų036 Ų360%019%0.192CC..  trans-66.8124.6-177.3-61173.5000110.2I23 I26 L41 N44 L49 L64 N67 Y68 L69I23-L46 HydrophobicContact CG2-CD2 3.78Å; I26-L46 HydrophobicContact CD1-CD1 4.06Å; I26-L46 HydrophobicContact CD1-CD2 4.45Å; I26-L46 HydrophobicContact CG1-CD1 4.28Å; I26-L46 HydrophobicContact CG1-CD2 3.86Å; L41-L46 HydrophobicContact CB-CD1 4.18Å; L41-L46 HydrophobicContact CD1-CD1 4.21Å; N44-L46 HydrophobicContact CB-CG 4.28Å; L46-L49 HydrophobicContact CD1-CD2 4.14Å; L46-L64 HydrophobicContact CD1-CD2 4.37Å; L46-N67 HydrophobicContact CB-CB 4.23Å; L46-N67 VanDerWaalsContact CB-OD1 3.23Å; L46-N67 WeakPolarHBondContact CB-OD1 3.46Å; L46-N67 WeakPolarHBondContact CG-OD1 3.29Å; L46-N67 PolarHBondContact N-OD1 2.98Å; L46-Y68 CarbonylContact O-C 3.26Å; L46-Y68 VanDerWaalsContact O-C 3.22Å; L46-Y68 VanDerWaalsContact O-CA 3.31Å; L46-Y68 WeakPolarHBondContact O-CA 3.49Å; L46-Y68 PolarHBondContact O-N 2.95Å; L46-L69 HydrophobicContact CB-CD2 4.16Å; L46-L69 PolarHBondContact O-N 3.08Å
47T97.6Very high97.8Very high71 Ų7139.5 Ų39.544%0.43621%0.212SC..SBendtrans-98.3-23.8173.154.40000112.3K45K45-T47 PolarHBondContact O-N 3.48Å
48T97Very high97.8Very high90 Ų9040.9 Ų40.955%0.55222%0.218SC*.  trans-145.7166.8177.460.40000110.5
49L97.8Very high97.8Very high12 Ų1239.2 Ų39.26%0.06321%0.211CC..  trans-113.4143.1166.3-58.4175.6000109.5I26 L46 L64 L69 L72 P73I26-L49 HydrophobicContact CD1-CD2 3.56Å; L46-L49 HydrophobicContact CD1-CD2 4.14Å; L49-L64 HydrophobicContact CD1-CD1 3.65Å; L49-L64 HydrophobicContact CD1-CD2 4.27Å; L49-L64 HydrophobicContact CD2-CD2 3.79Å; L49-L69 HydrophobicContact CD2-CD2 4.41Å; L49-L69 HydrophobicContact CG-CD2 4.22Å; L49-L72 HydrophobicContact CD1-CD2 3.65Å; L49-L72 HydrophobicContact CG-CD2 4.43Å; L49-P73 HydrophobicContact CB-CG 4.05Å
50P97.6Very high97.8Very high25 Ų2544 Ų4416%0.16223%0.229CC..  trans-67151173.431.3-36.7000110.4I26 I30 E52 I53I26-P50 HydrophobicContact CB-CG 3.82Å; I26-P50 HydrophobicContact CG2-CG 3.88Å; I30-P50 HydrophobicContact CG2-CG 4.14Å; P50-E52 WeakPolarHBondContact CB-OE2 3.3Å; P50-E52 PolarHBondContact O-N 3.22Å; P50-E52 VanDerWaalsContact O-N 3.15Å; P50-I53 WeakPolarHBondContact O-CB 3.15Å; P50-I53 VanDerWaalsContact O-CG2 3.32Å; P50-I53 WeakPolarHBondContact O-CG2 3.47Å; P50-I53 PolarHBondContact O-N 3.07Å; P50-I53 VanDerWaalsContact O-N 3.16Å
51S97.9Very high97.8Very high70 Ų7047.2 Ų47.249%0.4924%0.243SC..G310 helixtrans-58.7-28.3177.9620000112.9I53 G54 S75S51-I53 PolarHBondContact O-N 3.21Å; S51-I53 VanDerWaalsContact O-N 3.07Å; S51-G54 PolarHBondContact O-N 2.99Å; S51-S75 WeakPolarHBondContact CA-OG 3.3Å; S51-S75 WeakPolarHBondContact O-CB 3.29Å; S51-S75 PolarHBondContact O-OG 3.01Å
52E98Very high97.9Very high46 Ų4647.2 Ų47.222%0.21524%0.242CC..G310 helixtrans-62.8-13.9179.9-72.787.1160.300113.7S28 I30 R31 P50 G54 N55S28-E52 WeakPolarHBondContact CB-OE1 3.35Å; I30-E52 HydrophobicContact CG2-CB 3.81Å; R31-E52 HydrophobicContact CB-CB 3.95Å; R31-E52 HydrophobicContact CB-CG 4.06Å; P50-E52 WeakPolarHBondContact CB-OE2 3.3Å; P50-E52 PolarHBondContact O-N 3.22Å; P50-E52 VanDerWaalsContact O-N 3.15Å; E52-G54 PolarHBondContact O-N 3.14Å; E52-N55 WeakPolarHBondContact O-CB 3.34Å; E52-N55 PolarHBondContact O-N 2.74Å; E52-N55 VanDerWaalsContact O-N 3.07Å
53I97.8Very high98Very high0 Ų044.5 Ų44.50%023%0.232CC..G310 helixtrans-57.6-30.9169.9-158.870.9000111.7I30 L39 P50 S51 N55 L56 P73 L76I30-I53 HydrophobicContact CD1-CD1 3.65Å; L39-I53 HydrophobicContact CD2-CD1 3.63Å; P50-I53 WeakPolarHBondContact O-CB 3.15Å; P50-I53 VanDerWaalsContact O-CG2 3.32Å; P50-I53 WeakPolarHBondContact O-CG2 3.47Å; P50-I53 PolarHBondContact O-N 3.07Å; P50-I53 VanDerWaalsContact O-N 3.16Å; S51-I53 PolarHBondContact O-N 3.21Å; S51-I53 VanDerWaalsContact O-N 3.07Å; I53-N55 PolarHBondContact O-N 2.87Å; I53-L56 HydrophobicContact CD1-CD1 3.89Å; I53-L56 WeakPolarHBondContact O-CB 3.35Å; I53-L56 PolarHBondContact O-N 2.81Å; I53-P73 HydrophobicContact CG2-CG 3.77Å; I53-L76 HydrophobicContact CG1-CD1 4.43Å; I53-L76 HydrophobicContact CG2-CD1 3.97Å
54G97.7Very high98Very high4 Ų439.3 Ų39.34%0.04121%0.209CC..G310 helixtrans-66.1-15.3177.400000114.1S51 E52 L56 S75 A78S51-G54 PolarHBondContact O-N 2.99Å; E52-G54 PolarHBondContact O-N 3.14Å; G54-L56 VanDerWaalsContact C-N 3.27Å; G54-L56 PolarHBondContact O-N 3.23Å; G54-S75 VanDerWaalsContact CA-O 3.26Å; G54-S75 WeakPolarHBondContact CA-O 3.39Å; G54-A78 WeakPolarHBondContact O-CB 3.34Å
55N98.2Very high98Very high81 Ų8139.2 Ų39.243%0.43321%0.209SC..G310 helixtrans-78.1-14177.3-65.645000112.4R31 E52 I53 V57R31-N55 HydrophobicContact CB-CB 4.06Å; E52-N55 WeakPolarHBondContact O-CB 3.34Å; E52-N55 PolarHBondContact O-N 2.74Å; E52-N55 VanDerWaalsContact O-N 3.07Å; I53-N55 PolarHBondContact O-N 2.87Å; N55-V57 PolarHBondContact O-N 3.39Å
56L97.9Very high98.1Very high0 Ų039 Ų390%021%0.21CC..  trans-7953.7-179.8-55.8-171.2000111.7I30 L33 L36 L39 I53 G54 N58 L59 L79I30-L56 HydrophobicContact CD1-CD1 4.14Å; I30-L56 HydrophobicContact CG1-CD1 4.06Å; I30-L56 HydrophobicContact CG1-CD2 4.49Å; I30-L56 WeakPolarHBondContact O-CD2 3.4Å; L33-L56 HydrophobicContact CB-CD2 4.17Å; L33-L56 WeakPolarHBondContact O-CD2 3.47Å; L36-L56 HydrophobicContact CD1-CD1 4.34Å; L39-L56 HydrophobicContact CD2-CD1 3.83Å; I53-L56 HydrophobicContact CD1-CD1 3.89Å; I53-L56 WeakPolarHBondContact O-CB 3.35Å; I53-L56 PolarHBondContact O-N 2.81Å; G54-L56 VanDerWaalsContact C-N 3.27Å; G54-L56 PolarHBondContact O-N 3.23Å; L56-N58 PolarHBondContact O-N 2.99Å; L56-L59 HydrophobicContact CB-CB 4.25Å; L56-L59 WeakPolarHBondContact O-CB 3.29Å; L56-L59 PolarHBondContact O-N 3.21Å; L56-L79 HydrophobicContact CB-CD2 4.37Å; L56-L79 VanDerWaalsContact O-CD2 3.3Å; L56-L79 WeakPolarHBondContact O-CD2 3.23Å
57V96.9Very high98.1Very high72 Ų7239.2 Ų39.244%0.43621%0.21SC..THydrogen-bonded Turntrans-59.1-18.6-169.7-63.60000114.8N55 L59N55-V57 PolarHBondContact O-N 3.39Å; V57-L59 VanDerWaalsContact C-N 3.34Å
58N97.9Very high98.1Very high74 Ų7440.2 Ų40.240%0.39621%0.207SC..THydrogen-bonded Turntrans-83.8-6.4175.6-68.1-47.9000113.9V34 L36 L56 R60V34-N58 PolarHBondContact O-ND2 3.23Å; L36-N58 CarbonylContact O-C 3.02Å; L36-N58 WeakPolarHBondContact O-CB 2.99Å; L56-N58 PolarHBondContact O-N 2.99Å; N58-R60 PolarHBondContact O-N 3.38Å; N58-R60 PolarHBondContact O-NH1 2.81Å
59L98.5Very high98.2Very high0 Ų035.9 Ų35.90%018%0.181CC..  trans-62.5131.6-174.8-154.971.8000111.3L36 L39 L56 V57 L62 L79 G81 L82L36-L59 HydrophobicContact CB-CD1 4.13Å; L36-L59 WeakPolarHBondContact O-CA 3.48Å; L36-L59 PolarHBondContact O-N 2.81Å; L39-L59 HydrophobicContact CB-CD1 3.71Å; L39-L59 HydrophobicContact CB-CD2 4.3Å; L56-L59 HydrophobicContact CB-CB 4.25Å; L56-L59 WeakPolarHBondContact O-CB 3.29Å; L56-L59 PolarHBondContact O-N 3.21Å; V57-L59 VanDerWaalsContact C-N 3.34Å; L59-L62 HydrophobicContact CD2-CB 3.84Å; L59-L62 HydrophobicContact CD2-CD1 4.16Å; L59-L62 HydrophobicContact CD2-CD2 4.3Å; L59-L62 HydrophobicContact CD2-CG 4.32Å; L59-L79 HydrophobicContact CB-CD1 4.42Å; L59-L79 HydrophobicContact CD2-CD1 3.97Å; L59-G81 CarbonylContact O-C 3.43Å; L59-G81 VanDerWaalsContact O-C 3.22Å; L59-L82 HydrophobicContact CB-CD1 4.45Å; L59-L82 HydrophobicContact CD2-CD1 4.12Å; L59-L82 HydrophobicContact CG-CD1 4.17Å; L59-L82 WeakPolarHBondContact O-CA 3.28Å; L59-L82 PolarHBondContact O-N 3.11Å
60R98.8Very high98.2Very high100 Ų10039.3 Ų39.338%0.37720%0.202SC..  trans-111.7-34.8176.6-62.6-58.4-170.1-96.34111.5T37 N58 G81 Q83 A84T37-R60 WeakPolarHBondContact O-CA 3.49Å; T37-R60 WeakPolarHBondContact O-CB 3.44Å; T37-R60 PolarHBondContact O-N 3.48Å; N58-R60 PolarHBondContact O-N 3.38Å; N58-R60 PolarHBondContact O-NH1 2.81Å; R60-G81 WeakPolarHBondContact CD-O 3.38Å; R60-Q83 WeakPolarHBondContact O-CA 3.32Å; R60-Q83 PolarHBondContact O-N 3.03Å; R60-A84 PolarHBondContact O-N 2.73Å
61K98.8Very high98.2Very high86 Ų8640.9 Ų40.937%0.37422%0.217SC..EExtended strand (participates in β ladder)trans-130127.8179.8-54.3-176.1-172.1152.10110.8T37 E38 L39 F40 A84T37-K61 PolarHBondContact O-N 2.98Å; E38-K61 HydrophobicContact CG-CB 4.23Å; E38-K61 HydrophobicContact CG-CD 4.17Å; E38-K61 HydrophobicContact CG-CG 4.33Å; E38-K61 WeakPolarHBondContact OE1-CD 3.27Å; E38-K61 WeakPolarHBondContact OE1-CE 3.31Å; E38-K61 IonicContact OE1-NZ 2.81Å; E38-K61 PolarHBondContact OE1-NZ 2.56Å; L39-K61 PolarHBondContact N-O 2.97Å; F40-K61 HydrophobicContact CE1-CB 4.28Å; F40-K61 HydrophobicContact CZ-CB 4.39Å; F40-K61 HydrophobicContact CZ-CD 4.45Å; K61-A84 WeakPolarHBondContact CA-O 3.47Å; K61-A84 HydrophobicContact CB-CB 4.43Å; K61-A84 HydrophobicContact CG-CB 4.1Å
62L98.8Very high98.2Very high2 Ų238.2 Ų38.21%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-125.4113.5175.6179.853.6000109.9L39 L59 L64 L76 L82 A84 L85 D86L39-L62 HydrophobicContact CB-CD1 4.12Å; L39-L62 HydrophobicContact CD2-CD1 3.91Å; L39-L62 HydrophobicContact CG-CD1 3.99Å; L39-L62 WeakPolarHBondContact O-CA 3.34Å; L59-L62 HydrophobicContact CD2-CB 3.84Å; L59-L62 HydrophobicContact CD2-CD1 4.16Å; L59-L62 HydrophobicContact CD2-CD2 4.3Å; L59-L62 HydrophobicContact CD2-CG 4.32Å; L62-L64 HydrophobicContact CD1-CD1 4.22Å; L62-L64 HydrophobicContact CD1-CD2 4.21Å; L62-L64 HydrophobicContact CD1-CG 4Å; L62-L64 HydrophobicContact CD2-CD1 3.86Å; L62-L64 HydrophobicContact CG-CD1 3.78Å; L62-L64 HydrophobicContact CG-CG 3.95Å; L62-L76 HydrophobicContact CD2-CD1 3.9Å; L62-L82 HydrophobicContact CB-CD1 3.82Å; L62-A84 PolarHBondContact N-O 2.91Å; L62-L85 HydrophobicContact CB-CD1 3.98Å; L62-L85 HydrophobicContact CD2-CD1 3.97Å; L62-L85 HydrophobicContact CG-CD1 3.95Å; L62-L85 WeakPolarHBondContact O-CA 3.48Å; L62-D86 PolarHBondContact O-N 2.77Å
63G98.6Very high98.2Very high0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-105.8116179.800000113L39 L41 Y42L39-G63 PolarHBondContact O-N 3.04Å; L41-G63 PolarHBondContact N-O 3.07Å; Y42-G63 VanDerWaalsContact CE1-C 3.42Å; Y42-G63 VanDerWaalsContact CZ-CA 3.45Å
64L98.6Very high98.2Very high0 Ų043.2 Ų43.20%023%0.227CC..  trans-132.212.6-174.1-66.2166.9000112.6L41 L46 L49 L62 N67 L69 L72 L85 D86 L87 N90L41-L64 HydrophobicContact CB-CD2 4.19Å; L41-L64 HydrophobicContact CD1-CD2 4.05Å; L46-L64 HydrophobicContact CD1-CD2 4.37Å; L49-L64 HydrophobicContact CD1-CD1 3.65Å; L49-L64 HydrophobicContact CD1-CD2 4.27Å; L49-L64 HydrophobicContact CD2-CD2 3.79Å; L62-L64 HydrophobicContact CD1-CD1 4.22Å; L62-L64 HydrophobicContact CD1-CD2 4.21Å; L62-L64 HydrophobicContact CD1-CG 4Å; L62-L64 HydrophobicContact CD2-CD1 3.86Å; L62-L64 HydrophobicContact CG-CD1 3.78Å; L62-L64 HydrophobicContact CG-CG 3.95Å; L64-N67 PolarHBondContact O-ND2 2.98Å; L64-L69 HydrophobicContact CB-CD1 3.96Å; L64-L69 HydrophobicContact CD1-CD1 4.05Å; L64-L69 HydrophobicContact CD2-CD1 4.39Å; L64-L69 HydrophobicContact CG-CD1 4.37Å; L64-L72 HydrophobicContact CD1-CD2 4.34Å; L64-L85 HydrophobicContact CD1-CD1 4.25Å; L64-D86 CarbonylContact C-O 3.43Å; L64-D86 WeakPolarHBondContact CA-O 3.12Å; L64-D86 WeakPolarHBondContact CB-O 3.17Å; L64-D86 PolarHBondContact N-O 3Å; L64-L87 HydrophobicContact CB-CD2 3.97Å; L64-L87 HydrophobicContact CD1-CD2 3.83Å; L64-N90 PolarHBondContact O-ND2 2.83Å
65S98.3Very high98.2Very high5 Ų544.8 Ų44.84%0.03524%0.237CC..  trans-59.8154.5-179.278.10000113.3Y42 K43 N67 D86 R88Y42-S65 CarbonylContact C-O 3.49Å; Y42-S65 WeakPolarHBondContact CA-O 3.38Å; Y42-S65 WeakPolarHBondContact CD1-OG 3.44Å; K43-S65 PolarHBondContact N-O 3.15Å; S65-N67 PolarHBondContact O-ND2 3.02Å; S65-D86 PolarHBondContact N-O 2.92Å; S65-R88 CarbonylContact C-O 3.39Å; S65-R88 WeakPolarHBondContact CA-O 3.45Å; S65-R88 VanDerWaalsContact CB-O 3.31Å; S65-R88 WeakPolarHBondContact CB-O 3.37Å
66E98.5Very high98.2Very high82 Ų8241 Ų4138%0.38322%0.217SC..SBendtrans56.353.9178.2-61.1177.9-108.700111.8K43 N44 R88 H89K43-E66 CarbonylContact C-O 3.57Å; K43-E66 VanDerWaalsContact CA-O 3.23Å; K43-E66 WeakPolarHBondContact CA-O 3.12Å; K43-E66 HydrophobicContact CB-CB 4.44Å; K43-E66 WeakPolarHBondContact CE-OE1 3.43Å; K43-E66 WeakPolarHBondContact CE-OE2 3.37Å; K43-E66 HydrophobicContact CG-CB 3.82Å; K43-E66 VanDerWaalsContact CG-CD 3.45Å; K43-E66 HydrophobicContact CG-CG 4.25Å; K43-E66 WeakPolarHBondContact CG-OE2 3.4Å; K43-E66 PolarHBondContact N-O 3.28Å; N44-E66 PolarHBondContact N-O 3.12Å; E66-R88 PolarHBondContact N-O 3.04Å; E66-H89 VanDerWaalsContact CA-O 3.27Å; E66-H89 WeakPolarHBondContact CA-O 3.39Å; E66-H89 HydrophobicContact CB-CB 4.34Å; E66-H89 HydrophobicContact CG-CB 3.68Å; E66-H89 PolarHBondContact N-O 2.8Å
67N98.6Very high98.2Very high3 Ų342.2 Ų42.22%0.01623%0.227CC..SBendtrans-127.6-169.6172.4-83.4-79.3000109.3L41 N44 K45 L46 L64 S65 L69 H89 N90L41-N67 PolarHBondContact O-ND2 2.93Å; N44-N67 WeakPolarHBondContact CA-OD1 3.44Å; N44-N67 WeakPolarHBondContact CB-OD1 3.48Å; N44-N67 PolarHBondContact O-OD1 3.04Å; K45-N67 PolarHBondContact N-OD1 2.58Å; L46-N67 HydrophobicContact CB-CB 4.23Å; L46-N67 VanDerWaalsContact CB-OD1 3.23Å; L46-N67 WeakPolarHBondContact CB-OD1 3.46Å; L46-N67 WeakPolarHBondContact CG-OD1 3.29Å; L46-N67 PolarHBondContact N-OD1 2.98Å; L64-N67 PolarHBondContact O-ND2 2.98Å; S65-N67 PolarHBondContact O-ND2 3.02Å; N67-L69 HydrophobicContact CB-CG 4.23Å; N67-H89 PolarHBondContact N-O 3.26Å; N67-N90 WeakPolarHBondContact CA-OD1 3.28Å; N67-N90 WeakPolarHBondContact CB-OD1 3.47Å; N67-N90 PolarHBondContact O-OD1 2.95Å
68Y98Very high98.2Very high92 Ų9241 Ų4136%0.36122%0.224SC..  trans-114.926.8179.2-54.1-45.9000112.4K45 L46 N90 R91K45-Y68 HydrophobicContact CB-CD2 4.08Å; K45-Y68 HydrophobicContact CB-CE2 3.76Å; K45-Y68 HydrophobicContact CG-CE2 3.84Å; L46-Y68 CarbonylContact O-C 3.26Å; L46-Y68 VanDerWaalsContact O-C 3.22Å; L46-Y68 VanDerWaalsContact O-CA 3.31Å; L46-Y68 WeakPolarHBondContact O-CA 3.49Å; L46-Y68 PolarHBondContact O-N 2.95Å; Y68-N90 PolarHBondContact N-OD1 3.04Å; Y68-R91 VanDerWaalsContact CD1-CZ 3.44Å
69L98.4Very high98.2Very high0 Ų037.5 Ų37.50%021%0.206CC..  trans-64.5136-176.7-60.9172.4000110.8L46 L49 L64 N67 L72 L87 N90 R91 L92L46-L69 HydrophobicContact CB-CD2 4.16Å; L46-L69 PolarHBondContact O-N 3.08Å; L49-L69 HydrophobicContact CD2-CD2 4.41Å; L49-L69 HydrophobicContact CG-CD2 4.22Å; L64-L69 HydrophobicContact CB-CD1 3.96Å; L64-L69 HydrophobicContact CD1-CD1 4.05Å; L64-L69 HydrophobicContact CD2-CD1 4.39Å; L64-L69 HydrophobicContact CG-CD1 4.37Å; N67-L69 HydrophobicContact CB-CG 4.23Å; L69-L72 HydrophobicContact CD1-CD2 4.21Å; L69-L87 HydrophobicContact CD1-CD2 4Å; L69-N90 HydrophobicContact CB-CB 4.35Å; L69-N90 VanDerWaalsContact CB-OD1 3.27Å; L69-N90 WeakPolarHBondContact CB-OD1 3.14Å; L69-N90 WeakPolarHBondContact CG-OD1 3.46Å; L69-N90 PolarHBondContact N-OD1 3.29Å; L69-R91 CarbonylContact O-C 3.48Å; L69-R91 VanDerWaalsContact O-C 3.3Å; L69-R91 WeakPolarHBondContact O-CA 3.16Å; L69-R91 PolarHBondContact O-N 3.13Å; L69-L92 PolarHBondContact O-N 2.75Å
70T97.6Very high98.1Very high84 Ų8442.9 Ų42.952%0.51524%0.238SC..SBendtrans-115.5-19174.653.20000112.5R91T70-R91 HydrophobicContact CG2-CB 3.88Å
71A97.7Very high98.1Very high57 Ų5738.7 Ų38.747%0.47123%0.227SC..  trans-151.8173.3176.900000110.3
72L98.2Very high98.1Very high15 Ų1534.6 Ų34.68%0.07921%0.209CC..  trans-127.8147.7173.2-64.2172.5000109.2L49 L64 L69 L76 L87 P96 V98 I99L49-L72 HydrophobicContact CD1-CD2 3.65Å; L49-L72 HydrophobicContact CG-CD2 4.43Å; L64-L72 HydrophobicContact CD1-CD2 4.34Å; L69-L72 HydrophobicContact CD1-CD2 4.21Å; L72-L76 HydrophobicContact CB-CD2 4.28Å; L72-L76 HydrophobicContact CD1-CD2 3.83Å; L72-L87 HydrophobicContact CD1-CD1 3.85Å; L72-L87 HydrophobicContact CD1-CD2 4.28Å; L72-L87 HydrophobicContact CD2-CD2 4.12Å; L72-P96 HydrophobicContact CB-CB 4.17Å; L72-P96 HydrophobicContact CB-CG 4.45Å; L72-P96 HydrophobicContact CD1-CB 4.18Å; L72-P96 HydrophobicContact CD1-CG 4.02Å; L72-P96 HydrophobicContact CG-CB 4.26Å; L72-P96 HydrophobicContact CG-CG 4.04Å; L72-V98 HydrophobicContact CB-CG1 3.79Å; L72-I99 HydrophobicContact CD1-CD1 3.88Å; L72-I99 HydrophobicContact CD1-CG1 3.93Å
73P97.9Very high98.1Very high24 Ų2438.1 Ų38.116%0.15623%0.225CC..  trans-70.2144.1179.229.7-35.4000111.3L49 I53 S75 L76L49-P73 HydrophobicContact CB-CG 4.05Å; I53-P73 HydrophobicContact CG2-CG 3.77Å; P73-S75 PolarHBondContact O-N 3.44Å; P73-S75 VanDerWaalsContact O-N 3.16Å; P73-L76 VanDerWaalsContact O-CB 3.26Å; P73-L76 WeakPolarHBondContact O-CB 3.32Å; P73-L76 PolarHBondContact O-N 3.07Å
74D98.1Very high98.1Very high127 Ų12738.8 Ų38.868%0.67923%0.231SC*.G310 helixtrans-61-25.9-179.9-69.7-28.4000113.3L76 A77 V98D74-L76 PolarHBondContact O-N 2.99Å; D74-L76 VanDerWaalsContact O-N 3.09Å; D74-A77 WeakPolarHBondContact O-CB 3.34Å; D74-A77 PolarHBondContact O-N 3.15Å; D74-A77 VanDerWaalsContact O-N 3.12Å; D74-V98 WeakPolarHBondContact O-CG2 3.42Å
75S98Very high98.1Very high37 Ų3738.8 Ų38.826%0.25923%0.231SC..G310 helixtrans-60.8-16.9175.160.30000113.7S51 G54 P73 A77 A78S51-S75 WeakPolarHBondContact CA-OG 3.3Å; S51-S75 WeakPolarHBondContact O-CB 3.29Å; S51-S75 PolarHBondContact O-OG 3.01Å; G54-S75 VanDerWaalsContact CA-O 3.26Å; G54-S75 WeakPolarHBondContact CA-O 3.39Å; P73-S75 PolarHBondContact O-N 3.44Å; P73-S75 VanDerWaalsContact O-N 3.16Å; S75-A77 PolarHBondContact O-N 3.15Å; S75-A78 VanDerWaalsContact O-CB 3.28Å; S75-A78 WeakPolarHBondContact O-CB 3.07Å; S75-A78 PolarHBondContact O-N 2.98Å
76L97.9Very high98.1Very high0 Ų038.9 Ų38.90%023%0.231CC..G310 helixtrans-60.6-23.5174.5-161.772.9000112.2I53 L62 L72 P73 D74 A78 L79 V98 I102I53-L76 HydrophobicContact CG1-CD1 4.43Å; I53-L76 HydrophobicContact CG2-CD1 3.97Å; L62-L76 HydrophobicContact CD2-CD1 3.9Å; L72-L76 HydrophobicContact CB-CD2 4.28Å; L72-L76 HydrophobicContact CD1-CD2 3.83Å; P73-L76 VanDerWaalsContact O-CB 3.26Å; P73-L76 WeakPolarHBondContact O-CB 3.32Å; P73-L76 PolarHBondContact O-N 3.07Å; D74-L76 PolarHBondContact O-N 2.99Å; D74-L76 VanDerWaalsContact O-N 3.09Å; L76-A78 PolarHBondContact O-N 3.02Å; L76-L79 HydrophobicContact CD1-CD1 3.48Å; L76-L79 VanDerWaalsContact CD1-CD1 3.48Å; L76-L79 HydrophobicContact CD1-CG 4.21Å; L76-L79 HydrophobicContact CG-CD1 4.31Å; L76-L79 WeakPolarHBondContact O-CB 3.38Å; L76-L79 WeakPolarHBondContact O-CG 3.26Å; L76-L79 PolarHBondContact O-N 3.16Å; L76-L79 VanDerWaalsContact O-N 3.09Å; L76-V98 HydrophobicContact CB-CG1 4.34Å; L76-V98 HydrophobicContact CB-CG2 3.88Å; L76-V98 HydrophobicContact CD2-CG1 4.34Å; L76-I102 HydrophobicContact CD2-CD1 3.86Å; L76-I102 HydrophobicContact CG-CD1 3.88Å
77A97.4Very high98.1Very high27 Ų2735 Ų3522%0.22321%0.213CC..G310 helixtrans-60.9-20.8173.200000113.4D74 S75 L79 V98 Q101D74-A77 WeakPolarHBondContact O-CB 3.34Å; D74-A77 PolarHBondContact O-N 3.15Å; D74-A77 VanDerWaalsContact O-N 3.12Å; S75-A77 PolarHBondContact O-N 3.15Å; A77-L79 PolarHBondContact O-N 3.28Å; A77-V98 HydrophobicContact CB-CG2 3.88Å; A77-Q101 HydrophobicContact CB-CB 4.02Å
78A97.7Very high98.1Very high46 Ų4638.8 Ų38.838%0.3823%0.227SC..G310 helixtrans-71.2-14176.100000113.3G54 S75 L76 V80G54-A78 WeakPolarHBondContact O-CB 3.34Å; S75-A78 VanDerWaalsContact O-CB 3.28Å; S75-A78 WeakPolarHBondContact O-CB 3.07Å; S75-A78 PolarHBondContact O-N 2.98Å; L76-A78 PolarHBondContact O-N 3.02Å; A78-V80 PolarHBondContact O-N 3Å
79L98Very high98.2Very high0 Ų038.2 Ų38.20%023%0.227CC..  trans-80.462.6-178.9-54.7-166.9000111.8L56 L59 L76 A77 G81 L82L56-L79 HydrophobicContact CB-CD2 4.37Å; L56-L79 VanDerWaalsContact O-CD2 3.3Å; L56-L79 WeakPolarHBondContact O-CD2 3.23Å; L59-L79 HydrophobicContact CB-CD1 4.42Å; L59-L79 HydrophobicContact CD2-CD1 3.97Å; L76-L79 HydrophobicContact CD1-CD1 3.48Å; L76-L79 VanDerWaalsContact CD1-CD1 3.48Å; L76-L79 HydrophobicContact CD1-CG 4.21Å; L76-L79 HydrophobicContact CG-CD1 4.31Å; L76-L79 WeakPolarHBondContact O-CB 3.38Å; L76-L79 WeakPolarHBondContact O-CG 3.26Å; L76-L79 PolarHBondContact O-N 3.16Å; L76-L79 VanDerWaalsContact O-N 3.09Å; A77-L79 PolarHBondContact O-N 3.28Å; L79-G81 PolarHBondContact O-N 3.01Å; L79-L82 HydrophobicContact CB-CB 3.97Å; L79-L82 HydrophobicContact CD1-CD2 4.44Å; L79-L82 VanDerWaalsContact O-CB 3.3Å; L79-L82 WeakPolarHBondContact O-CB 3.45Å; L79-L82 PolarHBondContact O-N 2.79Å
80V96.4Very high98.2Very high113 Ų11338.7 Ų38.769%0.68523%0.23SC*.THydrogen-bonded Turntrans-63.8-9.6-176.5-62.20000114.7A78 S104A78-V80 PolarHBondContact O-N 3Å; V80-S104 WeakPolarHBondContact O-CB 3.46Å; V80-S104 PolarHBondContact O-OG 3.26Å
81G98Very high98.2Very high13 Ų1339.6 Ų39.613%0.13422%0.224CC..THydrogen-bonded Turntrans-97.9-7.2173.400000114.4L59 R60 L79 Q83L59-G81 CarbonylContact O-C 3.43Å; L59-G81 VanDerWaalsContact O-C 3.22Å; R60-G81 WeakPolarHBondContact CD-O 3.38Å; L79-G81 PolarHBondContact O-N 3.01Å; G81-Q83 PolarHBondContact O-N 2.99Å
82L98.8Very high98.2Very high0 Ų036.9 Ų36.90%020%0.201CC..  trans-68.2119.9-170.8-171.172.5000110.9L59 L62 L79 L85 I102 S104 L105L59-L82 HydrophobicContact CB-CD1 4.45Å; L59-L82 HydrophobicContact CD2-CD1 4.12Å; L59-L82 HydrophobicContact CG-CD1 4.17Å; L59-L82 WeakPolarHBondContact O-CA 3.28Å; L59-L82 PolarHBondContact O-N 3.11Å; L62-L82 HydrophobicContact CB-CD1 3.82Å; L79-L82 HydrophobicContact CB-CB 3.97Å; L79-L82 HydrophobicContact CD1-CD2 4.44Å; L79-L82 VanDerWaalsContact O-CB 3.3Å; L79-L82 WeakPolarHBondContact O-CB 3.45Å; L79-L82 PolarHBondContact O-N 2.79Å; L82-L85 HydrophobicContact CD2-CB 4.33Å; L82-I102 HydrophobicContact CB-CG2 3.93Å; L82-I102 HydrophobicContact CD2-CD1 4.12Å; L82-I102 HydrophobicContact CD2-CG2 4.3Å; L82-S104 PolarHBondContact N-OG 3.42Å; L82-S104 CarbonylContact O-C 3.25Å; L82-S104 VanDerWaalsContact O-CB 3.29Å; L82-S104 WeakPolarHBondContact O-CB 3.43Å; L82-S104 PolarHBondContact O-OG 3.1Å; L82-L105 HydrophobicContact CD2-CD2 4.19Å; L82-L105 HydrophobicContact CG-CD2 4.16Å; L82-L105 WeakPolarHBondContact O-CA 3.5Å; L82-L105 PolarHBondContact O-N 2.87Å
83Q98.8Very high98.2Very high75 Ų7540.6 Ų40.635%0.3522%0.222SC..  trans-103.7-36.1-177.7-69.6174.9-51.400112.2R60 G81 E106 T107R60-Q83 WeakPolarHBondContact O-CA 3.32Å; R60-Q83 PolarHBondContact O-N 3.03Å; G81-Q83 PolarHBondContact O-N 2.99Å; Q83-E106 HydrophobicContact CB-CG 4.44Å; Q83-E106 HydrophobicContact CG-CG 4.46Å; Q83-E106 PolarHBondContact NE2-OE1 3.44Å; Q83-E106 WeakPolarHBondContact O-CA 3.44Å; Q83-E106 PolarHBondContact O-N 3.43Å; Q83-T107 PolarHBondContact O-N 2.77Å
84A98.9Very high98.1Very high15 Ų1544.5 Ų44.512%0.12424%0.238CC..EExtended strand (participates in β ladder)trans-127.8127.1-177.100000111.4R60 K61 L62 T107 W109R60-A84 PolarHBondContact O-N 2.73Å; K61-A84 WeakPolarHBondContact CA-O 3.47Å; K61-A84 HydrophobicContact CB-CB 4.43Å; K61-A84 HydrophobicContact CG-CB 4.1Å; L62-A84 PolarHBondContact N-O 2.91Å; A84-T107 WeakPolarHBondContact CA-O 3.28Å; A84-W109 HydrophobicContact CB-CZ3 4.19Å
85L98.8Very high98.1Very high0 Ų038.6 Ų38.60%021%0.206CC..EExtended strand (participates in β ladder)trans-128.1117.5176.8179.457.9000109.8L62 L64 L82 L87 I99 L105 T107 L108 W109L62-L85 HydrophobicContact CB-CD1 3.98Å; L62-L85 HydrophobicContact CD2-CD1 3.97Å; L62-L85 HydrophobicContact CG-CD1 3.95Å; L62-L85 WeakPolarHBondContact O-CA 3.48Å; L64-L85 HydrophobicContact CD1-CD1 4.25Å; L82-L85 HydrophobicContact CD2-CB 4.33Å; L85-L87 HydrophobicContact CD1-CD1 4.3Å; L85-L87 HydrophobicContact CD1-CG 4.14Å; L85-L87 HydrophobicContact CD2-CD1 3.8Å; L85-L87 HydrophobicContact CG-CD1 3.83Å; L85-L87 HydrophobicContact CG-CG 4.05Å; L85-I99 HydrophobicContact CD2-CD1 3.99Å; L85-I99 HydrophobicContact CD2-CG1 4.07Å; L85-L105 HydrophobicContact CB-CD2 3.81Å; L85-T107 PolarHBondContact N-O 3.36Å; L85-L108 HydrophobicContact CB-CD1 4.08Å; L85-L108 HydrophobicContact CD2-CD1 4.09Å; L85-L108 HydrophobicContact CG-CD1 4.13Å; L85-W109 PolarHBondContact O-N 2.79Å
86D98.8Very high98.1Very high6 Ų637.2 Ų37.23%0.03220%0.196CC..EExtended strand (participates in β ladder)trans-109.8112.1178.4-175-2.2000110.8Y42 L62 L64 S65 R88 W109Y42-D86 HydrophobicContact CE1-CB 4.17Å; L62-D86 PolarHBondContact O-N 2.77Å; L64-D86 CarbonylContact C-O 3.43Å; L64-D86 WeakPolarHBondContact CA-O 3.12Å; L64-D86 WeakPolarHBondContact CB-O 3.17Å; L64-D86 PolarHBondContact N-O 3Å; S65-D86 PolarHBondContact N-O 2.92Å; D86-R88 WeakPolarHBondContact OD1-CB 3.28Å; D86-R88 WeakPolarHBondContact OD1-CG 3.37Å; D86-R88 IonicContact OD1-CZ 3.29Å; D86-R88 PolarHBondContact OD1-N 2.99Å; D86-R88 IonicContact OD1-NE 3.9Å; D86-R88 PolarHBondContact OD1-NE 3.04Å; D86-R88 IonicContact OD1-NH2 3.17Å; D86-R88 IonicContact OD2-CZ 2.75Å; D86-R88 VanDerWaalsContact OD2-CZ 3.29Å; D86-R88 IonicContact OD2-NE 3.9Å; D86-R88 PolarHBondContact OD2-NE 3.06Å; D86-R88 VanDerWaalsContact OD2-NE 3.12Å; D86-R88 IonicContact OD2-NH2 2.68Å; D86-R88 PolarHBondContact OD2-NH2 3.17Å; D86-W109 HydrophobicContact CB-CE3 3.9Å
87L98.8Very high98.1Very high0 Ų040.5 Ų40.50%022%0.217CC..  trans-120.719.3-179.6-71.1161.6000111.7L64 L69 L72 L85 N90 L92 I99 W109 L110 N113L64-L87 HydrophobicContact CB-CD2 3.97Å; L64-L87 HydrophobicContact CD1-CD2 3.83Å; L69-L87 HydrophobicContact CD1-CD2 4Å; L72-L87 HydrophobicContact CD1-CD1 3.85Å; L72-L87 HydrophobicContact CD1-CD2 4.28Å; L72-L87 HydrophobicContact CD2-CD2 4.12Å; L85-L87 HydrophobicContact CD1-CD1 4.3Å; L85-L87 HydrophobicContact CD1-CG 4.14Å; L85-L87 HydrophobicContact CD2-CD1 3.8Å; L85-L87 HydrophobicContact CG-CD1 3.83Å; L85-L87 HydrophobicContact CG-CG 4.05Å; L87-N90 PolarHBondContact O-ND2 3.11Å; L87-L92 HydrophobicContact CB-CD1 4.06Å; L87-L92 HydrophobicContact CD1-CD1 4.14Å; L87-L92 HydrophobicContact CG-CD1 4.49Å; L87-I99 HydrophobicContact CD1-CD1 3.6Å; L87-W109 WeakPolarHBondContact CA-O 3.36Å; L87-W109 PolarHBondContact N-O 3.47Å; L87-L110 HydrophobicContact CB-CD2 3.9Å; L87-L110 HydrophobicContact CD1-CD2 3.87Å; L87-N113 PolarHBondContact O-ND2 3.2Å
88R98.7Very high98.2Very high84 Ų8439.2 Ų39.232%0.31721%0.207SC..  trans-58.4151.7-178.6-63.2174.3-69.2163.82.9111.7S65 E66 D86 N90 W109 R111S65-R88 CarbonylContact C-O 3.39Å; S65-R88 WeakPolarHBondContact CA-O 3.45Å; S65-R88 VanDerWaalsContact CB-O 3.31Å; S65-R88 WeakPolarHBondContact CB-O 3.37Å; E66-R88 PolarHBondContact N-O 3.04Å; D86-R88 WeakPolarHBondContact OD1-CB 3.28Å; D86-R88 WeakPolarHBondContact OD1-CG 3.37Å; D86-R88 IonicContact OD1-CZ 3.29Å; D86-R88 PolarHBondContact OD1-N 2.99Å; D86-R88 IonicContact OD1-NE 3.9Å; D86-R88 PolarHBondContact OD1-NE 3.04Å; D86-R88 IonicContact OD1-NH2 3.17Å; D86-R88 IonicContact OD2-CZ 2.75Å; D86-R88 VanDerWaalsContact OD2-CZ 3.29Å; D86-R88 IonicContact OD2-NE 3.9Å; D86-R88 PolarHBondContact OD2-NE 3.06Å; D86-R88 VanDerWaalsContact OD2-NE 3.12Å; D86-R88 IonicContact OD2-NH2 2.68Å; D86-R88 PolarHBondContact OD2-NH2 3.17Å; R88-N90 PolarHBondContact O-N 3.22Å; R88-N90 PolarHBondContact O-ND2 2.96Å; R88-W109 HydrophobicContact CG-CB 3.59Å; R88-R111 CarbonylContact C-O 3.3Å; R88-R111 WeakPolarHBondContact CA-O 3.18Å; R88-R111 WeakPolarHBondContact CB-O 3.43Å; R88-R111 HydrophobicContact CG-CB 3.97Å
89H98.5Very high98.2Very high79 Ų7937 Ų3737%0.36619%0.189SC..SBendtrans5450.8176.4-60.6-89.9000113.1E66 N67 R111 Y112E66-H89 VanDerWaalsContact CA-O 3.27Å; E66-H89 WeakPolarHBondContact CA-O 3.39Å; E66-H89 HydrophobicContact CB-CB 4.34Å; E66-H89 HydrophobicContact CG-CB 3.68Å; E66-H89 PolarHBondContact N-O 2.8Å; N67-H89 PolarHBondContact N-O 3.26Å; H89-R111 PolarHBondContact N-O 3.17Å; H89-Y112 WeakPolarHBondContact CA-O 3.31Å; H89-Y112 AromaticContact CE1-CD2 2.98Å; H89-Y112 WeakPolarHBondContact CE1-CD2 3.48Å; H89-Y112 AromaticContact CE1-CE2 3.54Å; H89-Y112 AromaticContact CE1-CG 3.48Å; H89-Y112 VanDerWaalsContact CE1-CG 3.48Å; H89-Y112 PolarHBondContact N-O 3.4Å; H89-Y112 WeakPolarHBondContact ND1-CB 3.45Å; H89-Y112 AromaticContact ND1-CD2 3.68Å; H89-Y112 AromaticContact ND1-CG 3.7Å; H89-Y112 AromaticContact NE2-CD2 3.2Å; H89-Y112 WeakPolarHBondContact NE2-CD2 3.38Å; H89-Y112 AromaticContact NE2-CE2 3.82Å
90N98.7Very high98.2Very high11 Ų1137.8 Ų37.86%0.05919%0.192CC..SBendtrans-116.7-163.6171.2-85.5-78.5000109.8L64 N67 Y68 L69 L87 R88 L92 Y112 N113L64-N90 PolarHBondContact O-ND2 2.83Å; N67-N90 WeakPolarHBondContact CA-OD1 3.28Å; N67-N90 WeakPolarHBondContact CB-OD1 3.47Å; N67-N90 PolarHBondContact O-OD1 2.95Å; Y68-N90 PolarHBondContact N-OD1 3.04Å; L69-N90 HydrophobicContact CB-CB 4.35Å; L69-N90 VanDerWaalsContact CB-OD1 3.27Å; L69-N90 WeakPolarHBondContact CB-OD1 3.14Å; L69-N90 WeakPolarHBondContact CG-OD1 3.46Å; L69-N90 PolarHBondContact N-OD1 3.29Å; L87-N90 PolarHBondContact O-ND2 3.11Å; R88-N90 PolarHBondContact O-N 3.22Å; R88-N90 PolarHBondContact O-ND2 2.96Å; N90-L92 HydrophobicContact CB-CG 4.27Å; N90-Y112 PolarHBondContact N-O 3.09Å; N90-N113 VanDerWaalsContact CA-OD1 3.27Å; N90-N113 WeakPolarHBondContact CA-OD1 3.37Å; N90-N113 WeakPolarHBondContact CB-OD1 3.47Å; N90-N113 PolarHBondContact N-OD1 3Å; N90-N113 PolarHBondContact O-OD1 3.16Å
91R97.8Very high98.3Very high102 Ų10237.6 Ų37.639%0.38518%0.183SC..  trans-118.729.6-178.6-60.4178.2-179177.32.4111.6Y68 L69 T70 N93 N113Y68-R91 VanDerWaalsContact CD1-CZ 3.44Å; L69-R91 CarbonylContact O-C 3.48Å; L69-R91 VanDerWaalsContact O-C 3.3Å; L69-R91 WeakPolarHBondContact O-CA 3.16Å; L69-R91 PolarHBondContact O-N 3.13Å; T70-R91 HydrophobicContact CG2-CB 3.88Å; R91-N93 PolarHBondContact O-N 3.02Å; R91-N113 PolarHBondContact N-OD1 3.22Å
92L98.4Very high98.3Very high0 Ų037 Ų370%018%0.177CC..  trans-69.6124.3-178.8-58.3175.1000110.2L69 L87 N90 P96 L110 N113 R114 I115L69-L92 PolarHBondContact O-N 2.75Å; L87-L92 HydrophobicContact CB-CD1 4.06Å; L87-L92 HydrophobicContact CD1-CD1 4.14Å; L87-L92 HydrophobicContact CG-CD1 4.49Å; N90-L92 HydrophobicContact CB-CG 4.27Å; L92-P96 HydrophobicContact CD1-CG 4.45Å; L92-P96 HydrophobicContact CD2-CG 3.89Å; L92-L110 HydrophobicContact CD1-CD2 3.83Å; L92-N113 HydrophobicContact CB-CB 4.17Å; L92-N113 WeakPolarHBondContact CB-OD1 3.35Å; L92-N113 WeakPolarHBondContact CG-OD1 3.36Å; L92-N113 PolarHBondContact N-OD1 3.11Å; L92-N113 VanDerWaalsContact N-OD1 3.08Å; L92-R114 CarbonylContact O-C 3.57Å; L92-R114 VanDerWaalsContact O-CA 3.27Å; L92-R114 WeakPolarHBondContact O-CA 3.46Å; L92-R114 WeakPolarHBondContact O-CB 3.43Å; L92-R114 PolarHBondContact O-N 2.99Å; L92-I115 HydrophobicContact CB-CG1 4.33Å; L92-I115 PolarHBondContact O-N 3.16Å
93N97.2Very high98.2Very high94 Ų9440.6 Ų40.650%0.50320%0.202SC..SBendtrans-89.2-16.6175.9-64.6-39.6000112.9R91 I115 T116R91-N93 PolarHBondContact O-N 3.02Å; N93-I115 WeakPolarHBondContact O-CA 3.27Å; N93-T116 PolarHBondContact O-N 2.95Å; N93-T116 VanDerWaalsContact O-N 3.15Å
94E97Very high98.1Very high106 Ų10637.2 Ų37.250%0.49519%0.187SC..SBendtrans-148.1168.9175.261.9179.6-164.500108.5P96E94-P96 VanDerWaalsContact O-CD 3.27Å; E94-P96 WeakPolarHBondContact O-CD 3.5Å
95I98.3Very high98.1Very high3 Ų336.5 Ų36.52%0.01518%0.181CC..  trans-73.5118.4168.3-58.3-179.6000107.4I99 Y100 L110 I115 V118 L133I95-I99 HydrophobicContact CG2-CB 4.09Å; I95-I99 HydrophobicContact CG2-CD1 4.01Å; I95-I99 HydrophobicContact CG2-CG2 4.21Å; I95-Y100 HydrophobicContact CB-CE1 4.47Å; I95-Y100 WeakPolarHBondContact CB-OH 3.38Å; I95-Y100 HydrophobicContact CG2-CE1 3.99Å; I95-Y100 HydrophobicContact CG2-CE2 4.48Å; I95-L110 HydrophobicContact CD1-CD1 3.86Å; I95-L110 HydrophobicContact CG1-CD1 3.83Å; I95-L110 HydrophobicContact CG2-CD1 4.46Å; I95-I115 HydrophobicContact CG1-CD1 4.04Å; I95-I115 HydrophobicContact CG1-CG2 4.21Å; I95-V118 HydrophobicContact CD1-CB 4.42Å; I95-V118 HydrophobicContact CD1-CG1 4.02Å; I95-V118 HydrophobicContact CD1-CG2 4.11Å; I95-L133 HydrophobicContact CD1-CD2 4.15Å
96P98Very high98.1Very high7 Ų738.7 Ų38.75%0.04519%0.191CC..  trans-53.6129.9-179.7-29.436.3000112L72 L92 E94 V98 I99L72-P96 HydrophobicContact CB-CB 4.17Å; L72-P96 HydrophobicContact CB-CG 4.45Å; L72-P96 HydrophobicContact CD1-CB 4.18Å; L72-P96 HydrophobicContact CD1-CG 4.02Å; L72-P96 HydrophobicContact CG-CB 4.26Å; L72-P96 HydrophobicContact CG-CG 4.04Å; L92-P96 HydrophobicContact CD1-CG 4.45Å; L92-P96 HydrophobicContact CD2-CG 3.89Å; E94-P96 VanDerWaalsContact O-CD 3.27Å; E94-P96 WeakPolarHBondContact O-CD 3.5Å; P96-V98 HydrophobicContact CB-CG1 4.25Å; P96-V98 PolarHBondContact O-N 3.5Å; P96-I99 HydrophobicContact CB-CD1 4.44Å; P96-I99 HydrophobicContact CB-CG1 4.39Å; P96-I99 HydrophobicContact CG-CD1 4.31Å; P96-I99 WeakPolarHBondContact O-CB 3.42Å; P96-I99 PolarHBondContact O-N 2.75Å
97P97.7Very high98.1Very high69 Ų6939.8 Ų39.845%0.44820%0.198SC..G310 helixtrans-56.3-27.6-173.1-30.335.8000115.5I99 Y100P97-I99 PolarHBondContact O-N 3.02Å; P97-Y100 WeakPolarHBondContact O-CD2 3.39Å; P97-Y100 PolarHBondContact O-N 2.94Å
98V98.1Very high98.2Very high1 Ų139.8 Ų39.81%0.00620%0.198CC..G310 helixtrans-60.4-31175.769.90000112.7L72 D74 L76 A77 P96 Y100 Q101L72-V98 HydrophobicContact CB-CG1 3.79Å; D74-V98 WeakPolarHBondContact O-CG2 3.42Å; L76-V98 HydrophobicContact CB-CG1 4.34Å; L76-V98 HydrophobicContact CB-CG2 3.88Å; L76-V98 HydrophobicContact CD2-CG1 4.34Å; A77-V98 HydrophobicContact CB-CG2 3.88Å; P96-V98 HydrophobicContact CB-CG1 4.25Å; P96-V98 PolarHBondContact O-N 3.5Å; V98-Y100 VanDerWaalsContact C-N 3.26Å; V98-Y100 PolarHBondContact O-N 2.75Å; V98-Q101 WeakPolarHBondContact O-CB 3.42Å; V98-Q101 PolarHBondContact O-N 3.3Å
99I98.6Very high98.2Very high0 Ų039.1 Ų39.10%020%0.196CC..G310 helixtrans-60.6-39-180-65.9-177.2000110.7L72 L85 L87 I95 P96 P97 Q101 I102 L105 L108 L125L72-I99 HydrophobicContact CD1-CD1 3.88Å; L72-I99 HydrophobicContact CD1-CG1 3.93Å; L85-I99 HydrophobicContact CD2-CD1 3.99Å; L85-I99 HydrophobicContact CD2-CG1 4.07Å; L87-I99 HydrophobicContact CD1-CD1 3.6Å; I95-I99 HydrophobicContact CG2-CB 4.09Å; I95-I99 HydrophobicContact CG2-CD1 4.01Å; I95-I99 HydrophobicContact CG2-CG2 4.21Å; P96-I99 HydrophobicContact CB-CD1 4.44Å; P96-I99 HydrophobicContact CB-CG1 4.39Å; P96-I99 HydrophobicContact CG-CD1 4.31Å; P96-I99 WeakPolarHBondContact O-CB 3.42Å; P96-I99 PolarHBondContact O-N 2.75Å; P97-I99 PolarHBondContact O-N 3.02Å; I99-Q101 PolarHBondContact O-N 3.48Å; I99-Q101 VanDerWaalsContact O-N 3.11Å; I99-I102 PolarHBondContact O-N 2.88Å; I99-I102 VanDerWaalsContact O-N 3.08Å; I99-L105 HydrophobicContact CG2-CD1 3.86Å; I99-L108 HydrophobicContact CD1-CD1 4.39Å; I99-L108 HydrophobicContact CG2-CD1 4.34Å; I99-L108 HydrophobicContact CG2-CD2 3.77Å; I99-L125 HydrophobicContact CG2-CD1 4.37Å; I99-L125 WeakPolarHBondContact O-CD2 3.4Å
100Y98.2Very high98.2Very high15 Ų1535.4 Ų35.46%0.05918%0.178CC..G310 helixtrans-62.2-19.4179.3-56.6-54.1000113.7I95 P97 V98 G119 K121 I122 Q124I95-Y100 HydrophobicContact CB-CE1 4.47Å; I95-Y100 WeakPolarHBondContact CB-OH 3.38Å; I95-Y100 HydrophobicContact CG2-CE1 3.99Å; I95-Y100 HydrophobicContact CG2-CE2 4.48Å; P97-Y100 WeakPolarHBondContact O-CD2 3.39Å; P97-Y100 PolarHBondContact O-N 2.94Å; V98-Y100 VanDerWaalsContact C-N 3.26Å; V98-Y100 PolarHBondContact O-N 2.75Å; Y100-G119 PolarHBondContact OH-N 2.93Å; Y100-K121 HydrophobicContact CD1-CB 4.11Å; Y100-K121 HydrophobicContact CD2-CB 3.76Å; Y100-K121 HydrophobicContact CD2-CD 4.48Å; Y100-K121 HydrophobicContact CE2-CB 4.39Å; Y100-K121 HydrophobicContact CG-CB 3.59Å; Y100-I122 HydrophobicContact CD1-CB 4.31Å; Y100-I122 HydrophobicContact CD1-CD1 4.23Å; Y100-I122 HydrophobicContact CE1-CB 3.87Å; Y100-I122 HydrophobicContact CE1-CD1 3.83Å; Y100-I122 HydrophobicContact CE1-CG1 4.47Å; Y100-Q124 PolarHBondContact O-OE1 3.04Å
101Q97.9Very high98.2Very high109 Ų10937.8 Ų37.851%0.50919%0.186SC..G310 helixtrans-87.4-13.9-179.8-55.6176.239.900112.5A77 V98 I99 S103A77-Q101 HydrophobicContact CB-CB 4.02Å; V98-Q101 WeakPolarHBondContact O-CB 3.42Å; V98-Q101 PolarHBondContact O-N 3.3Å; I99-Q101 PolarHBondContact O-N 3.48Å; I99-Q101 VanDerWaalsContact O-N 3.11Å; Q101-S103 VanDerWaalsContact C-N 3.28Å; Q101-S103 PolarHBondContact O-N 3.23Å
102I97.9Very high98.2Very high2 Ų236.9 Ų36.91%0.0118%0.183CC..  trans-86.570.5-178-46.9174.7000109.1L76 L82 I99 S104 L105L76-I102 HydrophobicContact CD2-CD1 3.86Å; L76-I102 HydrophobicContact CG-CD1 3.88Å; L82-I102 HydrophobicContact CB-CG2 3.93Å; L82-I102 HydrophobicContact CD2-CD1 4.12Å; L82-I102 HydrophobicContact CD2-CG2 4.3Å; I99-I102 PolarHBondContact O-N 2.88Å; I99-I102 VanDerWaalsContact O-N 3.08Å; I102-S104 WeakPolarHBondContact CG2-OG 3.34Å; I102-S104 PolarHBondContact O-N 3.47Å; I102-L105 HydrophobicContact CB-CD1 3.9Å; I102-L105 HydrophobicContact CB-CG 3.99Å; I102-L105 HydrophobicContact CG2-CD1 4.2Å; I102-L105 HydrophobicContact CG2-CD2 4.43Å; I102-L105 HydrophobicContact CG2-CG 3.76Å; I102-L105 WeakPolarHBondContact O-CB 3.48Å; I102-L105 WeakPolarHBondContact O-CG 3.44Å; I102-L105 PolarHBondContact O-N 3.22Å
103S96.6Very high98.2Very high74 Ų7437.5 Ų37.552%0.51719%0.187SC..THydrogen-bonded Turntrans-62.6-8.8-175.859.10000114.6Q101 R127Q101-S103 VanDerWaalsContact C-N 3.28Å; Q101-S103 PolarHBondContact O-N 3.23Å; S103-R127 WeakPolarHBondContact O-CD 3.39Å
104S98.3Very high98.3Very high4 Ų438.8 Ų38.83%0.02819%0.185CC..THydrogen-bonded Turntrans-79.6-13.6174.354.40000114.3V80 L82 I102 E106V80-S104 WeakPolarHBondContact O-CB 3.46Å; V80-S104 PolarHBondContact O-OG 3.26Å; L82-S104 PolarHBondContact N-OG 3.42Å; L82-S104 CarbonylContact O-C 3.25Å; L82-S104 VanDerWaalsContact O-CB 3.29Å; L82-S104 WeakPolarHBondContact O-CB 3.43Å; L82-S104 PolarHBondContact O-OG 3.1Å; I102-S104 WeakPolarHBondContact CG2-OG 3.34Å; I102-S104 PolarHBondContact O-N 3.47Å; S104-E106 PolarHBondContact O-N 3.17Å
105L98.7Very high98.3Very high0 Ų033.8 Ų33.80%016%0.161CC..  trans-61.3129.3-176-78172.3000112.1L82 L85 I99 I102 R127 L128L82-L105 HydrophobicContact CD2-CD2 4.19Å; L82-L105 HydrophobicContact CG-CD2 4.16Å; L82-L105 WeakPolarHBondContact O-CA 3.5Å; L82-L105 PolarHBondContact O-N 2.87Å; L85-L105 HydrophobicContact CB-CD2 3.81Å; I99-L105 HydrophobicContact CG2-CD1 3.86Å; I102-L105 HydrophobicContact CB-CD1 3.9Å; I102-L105 HydrophobicContact CB-CG 3.99Å; I102-L105 HydrophobicContact CG2-CD1 4.2Å; I102-L105 HydrophobicContact CG2-CD2 4.43Å; I102-L105 HydrophobicContact CG2-CG 3.76Å; I102-L105 WeakPolarHBondContact O-CB 3.48Å; I102-L105 WeakPolarHBondContact O-CG 3.44Å; I102-L105 PolarHBondContact O-N 3.22Å; L105-R127 CarbonylContact O-C 3.28Å; L105-L128 HydrophobicContact CB-CD1 4.13Å; L105-L128 WeakPolarHBondContact O-CA 3.49Å; L105-L128 PolarHBondContact O-N 3.11Å; L105-L128 VanDerWaalsContact O-N 3.14Å
106E98.9Very high98.3Very high47 Ų4736.3 Ų36.322%0.2218%0.177CC..SBendtrans-107.2-32172.6-63.1-174.3-147.800111.2Q83 S104 R127 K129 M130Q83-E106 HydrophobicContact CB-CG 4.44Å; Q83-E106 HydrophobicContact CG-CG 4.46Å; Q83-E106 PolarHBondContact NE2-OE1 3.44Å; Q83-E106 WeakPolarHBondContact O-CA 3.44Å; Q83-E106 PolarHBondContact O-N 3.43Å; S104-E106 PolarHBondContact O-N 3.17Å; E106-R127 WeakPolarHBondContact CA-O 3.46Å; E106-K129 HydrophobicContact CB-CD 4.48Å; E106-K129 WeakPolarHBondContact O-CA 3.47Å; E106-K129 PolarHBondContact O-N 3.09Å; E106-K129 WeakPolarHBondContact OE2-CE 3.32Å; E106-K129 IonicContact OE2-NZ 2.74Å; E106-K129 PolarHBondContact OE2-NZ 2.9Å; E106-M130 PolarHBondContact O-N 2.94Å
107T98.9Very high98.2Very high28 Ų2839.6 Ų39.617%0.17220%0.197CC..EExtended strand (participates in β ladder)trans-136.5128179.6-52.80000111.9Q83 A84 L85 W109 M130Q83-T107 PolarHBondContact O-N 2.77Å; A84-T107 WeakPolarHBondContact CA-O 3.28Å; L85-T107 PolarHBondContact N-O 3.36Å; T107-W109 HydrophobicContact CG2-CD2 3.72Å; T107-W109 VanDerWaalsContact CG2-CE2 3.49Å; T107-W109 HydrophobicContact CG2-CE3 3.7Å; T107-W109 HydrophobicContact CG2-CH2 3.31Å; T107-W109 HydrophobicContact CG2-CZ2 3.3Å; T107-W109 HydrophobicContact CG2-CZ3 3.51Å; T107-M130 WeakPolarHBondContact CA-O 3.34Å; T107-M130 HydrophobicContact CG2-CB 3.87Å; T107-M130 HydrophobicContact CG2-CG 3.95Å; T107-M130 HydrophobicContact CG2-SD 3.99Å
108L98.9Very high98.3Very high0 Ų036.8 Ų36.80%018%0.178CC..EExtended strand (participates in β ladder)trans-129115.8178179.159.2000110.3L85 I99 L110 L125 L128 M130 L131 D132L85-L108 HydrophobicContact CB-CD1 4.08Å; L85-L108 HydrophobicContact CD2-CD1 4.09Å; L85-L108 HydrophobicContact CG-CD1 4.13Å; I99-L108 HydrophobicContact CD1-CD1 4.39Å; I99-L108 HydrophobicContact CG2-CD1 4.34Å; I99-L108 HydrophobicContact CG2-CD2 3.77Å; L108-L110 HydrophobicContact CD1-CD1 4.26Å; L108-L110 HydrophobicContact CD1-CD2 4.48Å; L108-L110 HydrophobicContact CD1-CG 4.1Å; L108-L110 HydrophobicContact CD2-CD1 3.75Å; L108-L110 HydrophobicContact CD2-CG 4.46Å; L108-L110 HydrophobicContact CG-CD1 3.82Å; L108-L110 HydrophobicContact CG-CG 4.02Å; L108-L125 HydrophobicContact CD2-CD1 4.49Å; L108-L128 HydrophobicContact CB-CD1 3.94Å; L108-M130 PolarHBondContact N-O 3.27Å; L108-L131 HydrophobicContact CB-CD1 4.12Å; L108-L131 HydrophobicContact CD2-CD1 3.94Å; L108-L131 HydrophobicContact CG-CD1 4.11Å; L108-D132 PolarHBondContact O-N 2.96Å
109W98.9Very high98.2Very high71 Ų7138 Ų3827%0.26919%0.192SC..EExtended strand (participates in β ladder)trans-106.5122.3174.1-63.5-83.9000111.5A84 L85 D86 L87 R88 T107 M130 D132A84-W109 HydrophobicContact CB-CZ3 4.19Å; L85-W109 PolarHBondContact O-N 2.79Å; D86-W109 HydrophobicContact CB-CE3 3.9Å; L87-W109 WeakPolarHBondContact CA-O 3.36Å; L87-W109 PolarHBondContact N-O 3.47Å; R88-W109 HydrophobicContact CG-CB 3.59Å; T107-W109 HydrophobicContact CG2-CD2 3.72Å; T107-W109 VanDerWaalsContact CG2-CE2 3.49Å; T107-W109 HydrophobicContact CG2-CE3 3.7Å; T107-W109 HydrophobicContact CG2-CH2 3.31Å; T107-W109 HydrophobicContact CG2-CZ2 3.3Å; T107-W109 HydrophobicContact CG2-CZ3 3.51Å; W109-M130 HydrophobicContact CZ2-SD 4.17Å; W109-D132 HydrophobicContact CG-CB 4.36Å
110L98.8Very high98.2Very high0 Ų043.4 Ų43.40%022%0.217CC..  trans-129.611.5-177.9-71.6163.5000112.5L87 L92 I95 L108 N113 I115 D132 L133 N136L87-L110 HydrophobicContact CB-CD2 3.9Å; L87-L110 HydrophobicContact CD1-CD2 3.87Å; L92-L110 HydrophobicContact CD1-CD2 3.83Å; I95-L110 HydrophobicContact CD1-CD1 3.86Å; I95-L110 HydrophobicContact CG1-CD1 3.83Å; I95-L110 HydrophobicContact CG2-CD1 4.46Å; L108-L110 HydrophobicContact CD1-CD1 4.26Å; L108-L110 HydrophobicContact CD1-CD2 4.48Å; L108-L110 HydrophobicContact CD1-CG 4.1Å; L108-L110 HydrophobicContact CD2-CD1 3.75Å; L108-L110 HydrophobicContact CD2-CG 4.46Å; L108-L110 HydrophobicContact CG-CD1 3.82Å; L108-L110 HydrophobicContact CG-CG 4.02Å; L110-N113 PolarHBondContact O-ND2 2.96Å; L110-I115 HydrophobicContact CB-CD1 3.92Å; L110-I115 HydrophobicContact CD1-CD1 4.14Å; L110-I115 HydrophobicContact CD2-CD1 4.01Å; L110-I115 HydrophobicContact CG-CD1 4.26Å; L110-D132 CarbonylContact C-O 3.25Å; L110-D132 WeakPolarHBondContact CA-O 3.07Å; L110-D132 PolarHBondContact N-O 3.29Å; L110-L133 HydrophobicContact CB-CD2 4.07Å; L110-L133 HydrophobicContact CD1-CD2 3.67Å; L110-N136 PolarHBondContact O-ND2 3.38Å
111R98.7Very high98.2Very high61 Ų6148.5 Ų48.523%0.2324%0.239CC..  trans-54.8145.3-179.4179.7-178177168.8-0.5112.9R88 H89 D132 R134 E135R88-R111 CarbonylContact C-O 3.3Å; R88-R111 WeakPolarHBondContact CA-O 3.18Å; R88-R111 WeakPolarHBondContact CB-O 3.43Å; R88-R111 HydrophobicContact CG-CB 3.97Å; H89-R111 PolarHBondContact N-O 3.17Å; R111-D132 PolarHBondContact N-O 2.92Å; R111-R134 WeakPolarHBondContact CA-O 3.35Å; R111-R134 HydrophobicContact CB-CB 4.38Å; R111-R134 HydrophobicContact CG-CB 3.89Å; R111-R134 WeakPolarHBondContact CG-O 3.42Å; R111-E135 HydrophobicContact CG-CB 4.11Å; R111-E135 HydrophobicContact CG-CG 4.31Å; R111-E135 IonicContact NH2-OE1 3.49Å
112Y98.5Very high98.2Very high83 Ų8343.3 Ų43.333%0.32522%0.215SC..SBendtrans57.755.3179.6-70.7-66.9000112.3H89 N90 R134 E135H89-Y112 WeakPolarHBondContact CA-O 3.31Å; H89-Y112 AromaticContact CE1-CD2 2.98Å; H89-Y112 WeakPolarHBondContact CE1-CD2 3.48Å; H89-Y112 AromaticContact CE1-CE2 3.54Å; H89-Y112 AromaticContact CE1-CG 3.48Å; H89-Y112 VanDerWaalsContact CE1-CG 3.48Å; H89-Y112 PolarHBondContact N-O 3.4Å; H89-Y112 WeakPolarHBondContact ND1-CB 3.45Å; H89-Y112 AromaticContact ND1-CD2 3.68Å; H89-Y112 AromaticContact ND1-CG 3.7Å; H89-Y112 AromaticContact NE2-CD2 3.2Å; H89-Y112 WeakPolarHBondContact NE2-CD2 3.38Å; H89-Y112 AromaticContact NE2-CE2 3.82Å; N90-Y112 PolarHBondContact N-O 3.09Å; Y112-R134 PolarHBondContact N-O 2.96Å; Y112-E135 WeakPolarHBondContact CA-O 3.38Å; Y112-E135 HydrophobicContact CD1-CB 3.47Å; Y112-E135 VanDerWaalsContact CD1-CB 3.47Å; Y112-E135 HydrophobicContact CD1-CG 3.94Å; Y112-E135 HydrophobicContact CD2-CB 4.37Å; Y112-E135 HydrophobicContact CD2-CG 4.49Å; Y112-E135 HydrophobicContact CE1-CB 3.56Å; Y112-E135 HydrophobicContact CE1-CG 3.47Å; Y112-E135 VanDerWaalsContact CE1-CG 3.47Å; Y112-E135 WeakPolarHBondContact CE1-OE1 3.22Å; Y112-E135 HydrophobicContact CE2-CG 4.16Å; Y112-E135 HydrophobicContact CG-CB 3.88Å; Y112-E135 HydrophobicContact CG-CG 4.4Å; Y112-E135 VanDerWaalsContact CZ-OE1 3.24Å; Y112-E135 PolarHBondContact N-O 3.39Å; Y112-E135 PolarHBondContact OH-OE1 3.39Å
113N98.7Very high98.2Very high13 Ų1343.7 Ų43.77%0.0722%0.219CC..SBendtrans-118.6-156.7167.1-84.1-79.8000108.6L87 N90 R91 L92 L110 I115 E135 N136L87-N113 PolarHBondContact O-ND2 3.2Å; N90-N113 VanDerWaalsContact CA-OD1 3.27Å; N90-N113 WeakPolarHBondContact CA-OD1 3.37Å; N90-N113 WeakPolarHBondContact CB-OD1 3.47Å; N90-N113 PolarHBondContact N-OD1 3Å; N90-N113 PolarHBondContact O-OD1 3.16Å; R91-N113 PolarHBondContact N-OD1 3.22Å; L92-N113 HydrophobicContact CB-CB 4.17Å; L92-N113 WeakPolarHBondContact CB-OD1 3.35Å; L92-N113 WeakPolarHBondContact CG-OD1 3.36Å; L92-N113 PolarHBondContact N-OD1 3.11Å; L92-N113 VanDerWaalsContact N-OD1 3.08Å; L110-N113 PolarHBondContact O-ND2 2.96Å; N113-I115 HydrophobicContact CB-CD1 4.13Å; N113-I115 HydrophobicContact CB-CG1 4Å; N113-E135 PolarHBondContact N-O 3.39Å; N113-N136 VanDerWaalsContact CA-OD1 3.28Å; N113-N136 WeakPolarHBondContact CA-OD1 3.42Å; N113-N136 WeakPolarHBondContact CB-OD1 3.28Å; N113-N136 PolarHBondContact N-OD1 3.12Å; N113-N136 PolarHBondContact O-OD1 2.9Å
114R98Very high98.3Very high122 Ų12244.8 Ų44.846%0.4622%0.216SC..  trans-12525.6178.9-58.1174.5-177.2179.8-2.3110.7L92 T116 N136L92-R114 CarbonylContact O-C 3.57Å; L92-R114 VanDerWaalsContact O-CA 3.27Å; L92-R114 WeakPolarHBondContact O-CA 3.46Å; L92-R114 WeakPolarHBondContact O-CB 3.43Å; L92-R114 PolarHBondContact O-N 2.99Å; R114-T116 PolarHBondContact O-N 2.96Å; R114-N136 PolarHBondContact N-OD1 3.22Å
115I98.7Very high98.3Very high0 Ų044.6 Ų44.60%022%0.215CC..  trans-65.3123.3-172.1-62.2169.5000109.1L92 N93 I95 L110 N113 T117 N136 K137 I138L92-I115 HydrophobicContact CB-CG1 4.33Å; L92-I115 PolarHBondContact O-N 3.16Å; N93-I115 WeakPolarHBondContact O-CA 3.27Å; I95-I115 HydrophobicContact CG1-CD1 4.04Å; I95-I115 HydrophobicContact CG1-CG2 4.21Å; L110-I115 HydrophobicContact CB-CD1 3.92Å; L110-I115 HydrophobicContact CD1-CD1 4.14Å; L110-I115 HydrophobicContact CD2-CD1 4.01Å; L110-I115 HydrophobicContact CG-CD1 4.26Å; N113-I115 HydrophobicContact CB-CD1 4.13Å; N113-I115 HydrophobicContact CB-CG1 4Å; I115-T117 VanDerWaalsContact CG2-O 3.23Å; I115-T117 WeakPolarHBondContact CG2-O 3.06Å; I115-N136 HydrophobicContact CB-CB 4.26Å; I115-N136 WeakPolarHBondContact CB-OD1 3.27Å; I115-N136 WeakPolarHBondContact CG1-OD1 3.47Å; I115-N136 PolarHBondContact N-OD1 2.95Å; I115-K137 CarbonylContact O-C 3.5Å; I115-K137 VanDerWaalsContact O-CA 3.29Å; I115-K137 WeakPolarHBondContact O-CA 3.23Å; I115-K137 PolarHBondContact O-N 3.03Å; I115-I138 HydrophobicContact CB-CG1 4.36Å; I115-I138 HydrophobicContact CG2-CD1 4.21Å; I115-I138 HydrophobicContact CG2-CG1 3.95Å; I115-I138 WeakPolarHBondContact O-CG1 3.49Å; I115-I138 PolarHBondContact O-N 3.38Å
116T97.9Very high98.2Very high56 Ų5650.9 Ų50.934%0.34424%0.242SC..  trans-99.2-26.3179.257.10000113.2N93 R114 K137 I138 Q139N93-T116 PolarHBondContact O-N 2.95Å; N93-T116 VanDerWaalsContact O-N 3.15Å; R114-T116 PolarHBondContact O-N 2.96Å; T116-K137 WeakPolarHBondContact CA-O 3.49Å; T116-K137 HydrophobicContact CG2-CB 4.14Å; T116-I138 WeakPolarHBondContact O-CA 3.32Å; T116-Q139 PolarHBondContact O-N 3.18Å
117T96.2Very high98.2Very high77 Ų7755.9 Ų55.947%0.47226%0.259SS..  trans-140.1149-176.661.60000111.4I115I115-T117 VanDerWaalsContact CG2-O 3.23Å; I115-T117 WeakPolarHBondContact CG2-O 3.06Å
118V98.2Very high98.2Very high9 Ų954.5 Ų54.56%0.05525%0.251CS..  trans-110.3117.1168.4178.40000106.6I95 I122 L133 I138 L141 P142I95-V118 HydrophobicContact CD1-CB 4.42Å; I95-V118 HydrophobicContact CD1-CG1 4.02Å; I95-V118 HydrophobicContact CD1-CG2 4.11Å; V118-I122 HydrophobicContact CG1-CB 3.99Å; V118-I122 HydrophobicContact CG1-CG1 4.17Å; V118-I122 HydrophobicContact CG1-CG2 3.98Å; V118-L133 HydrophobicContact CG2-CD1 4.03Å; V118-I138 HydrophobicContact CG2-CD1 3.89Å; V118-I138 HydrophobicContact CG2-CG1 4.41Å; V118-I138 HydrophobicContact CG2-CG2 4.15Å; V118-L141 HydrophobicContact CB-CD2 4.38Å; V118-L141 HydrophobicContact CG2-CD2 3.93Å; V118-P142 HydrophobicContact CB-CG 4.33Å; V118-P142 HydrophobicContact CG1-CG 3.97Å; V118-P142 WeakPolarHBondContact O-CD 3.27Å; V118-P142 WeakPolarHBondContact O-CG 3.32Å
119G96.9Very high98.2Very high28 Ų2858.7 Ų58.729%0.28927%0.269SS..  trans-72.2152.2-178.300000113.8Y100 K121 I122Y100-G119 PolarHBondContact OH-N 2.93Å; G119-K121 PolarHBondContact O-N 2.97Å; G119-I122 WeakPolarHBondContact O-CB 3.29Å; G119-I122 WeakPolarHBondContact O-CG2 3.37Å; G119-I122 PolarHBondContact O-N 2.98Å
120E98Very high98.2Very high112 Ų11257.9 Ų57.952%0.52327%0.269SS..G310 helixtrans-56.5-22.5179.5-67.4-67.9152.200113.9I122 G123 P142 S144E120-I122 PolarHBondContact O-N 2.93Å; E120-I122 VanDerWaalsContact O-N 3.16Å; E120-G123 PolarHBondContact O-N 2.98Å; E120-P142 HydrophobicContact CG-CB 4.23Å; E120-P142 WeakPolarHBondContact OE1-CB 3.4Å; E120-S144 WeakPolarHBondContact CA-OG 3.27Å; E120-S144 WeakPolarHBondContact O-CB 3.21Å; E120-S144 PolarHBondContact O-OG 2.97Å; E120-S144 WeakPolarHBondContact OE2-CB 3.37Å; E120-S144 PolarHBondContact OE2-N 3.26Å; E120-S144 PolarHBondContact OE2-OG 2.99Å
121K98.4Very high98.2Very high122 Ų12257.9 Ų57.953%0.5327%0.269SS..G310 helixtrans-69.1-8176.1-65.3-175.3-178.5177.30113.1Y100 G119 G123 Q124Y100-K121 HydrophobicContact CD1-CB 4.11Å; Y100-K121 HydrophobicContact CD2-CB 3.76Å; Y100-K121 HydrophobicContact CD2-CD 4.48Å; Y100-K121 HydrophobicContact CE2-CB 4.39Å; Y100-K121 HydrophobicContact CG-CB 3.59Å; G119-K121 PolarHBondContact O-N 2.97Å; K121-G123 PolarHBondContact O-N 3.04Å; K121-G123 VanDerWaalsContact O-N 3.16Å; K121-Q124 VanDerWaalsContact O-CB 3.24Å; K121-Q124 WeakPolarHBondContact O-CB 3.43Å; K121-Q124 WeakPolarHBondContact O-CG 3.39Å; K121-Q124 PolarHBondContact O-N 3.32Å
122I98.5Very high98.2Very high0 Ų055 Ų550%026%0.258CS..G310 helixtrans-55-32.8172.6-165.470.7000111.7Y100 V118 G119 E120 Q124 L125 L131 P142 S144 I145 L148Y100-I122 HydrophobicContact CD1-CB 4.31Å; Y100-I122 HydrophobicContact CD1-CD1 4.23Å; Y100-I122 HydrophobicContact CE1-CB 3.87Å; Y100-I122 HydrophobicContact CE1-CD1 3.83Å; Y100-I122 HydrophobicContact CE1-CG1 4.47Å; V118-I122 HydrophobicContact CG1-CB 3.99Å; V118-I122 HydrophobicContact CG1-CG1 4.17Å; V118-I122 HydrophobicContact CG1-CG2 3.98Å; G119-I122 WeakPolarHBondContact O-CB 3.29Å; G119-I122 WeakPolarHBondContact O-CG2 3.37Å; G119-I122 PolarHBondContact O-N 2.98Å; E120-I122 PolarHBondContact O-N 2.93Å; E120-I122 VanDerWaalsContact O-N 3.16Å; I122-Q124 PolarHBondContact O-N 3.37Å; I122-L125 HydrophobicContact CD1-CD1 3.75Å; I122-L125 PolarHBondContact O-N 2.82Å; I122-L131 HydrophobicContact CD1-CD2 4.43Å; I122-L131 HydrophobicContact CG1-CD2 4.5Å; I122-P142 HydrophobicContact CG2-CG 3.64Å; I122-S144 VanDerWaalsContact CG2-OG 3.28Å; I122-S144 WeakPolarHBondContact CG2-OG 3.32Å; I122-I145 HydrophobicContact CG1-CD1 4.38Å; I122-I145 HydrophobicContact CG2-CD1 4.33Å; I122-L148 HydrophobicContact CG1-CD1 4.4Å; I122-L148 WeakPolarHBondContact O-CD2 3.5Å
123G98.2Very high98.2Very high10 Ų1051.1 Ų51.110%0.10324%0.243CC..G310 helixtrans-63.4-7.8176.700000115.1E120 K121 L125 S144E120-G123 PolarHBondContact O-N 2.98Å; K121-G123 PolarHBondContact O-N 3.04Å; K121-G123 VanDerWaalsContact O-N 3.16Å; G123-L125 VanDerWaalsContact C-N 3.35Å; G123-S144 VanDerWaalsContact CA-O 3.31Å; G123-S144 WeakPolarHBondContact CA-O 2.98Å
124Q97.9Very high98.2Very high97 Ų9753.4 Ų53.445%0.45325%0.251SS..G310 helixtrans-77-20.6173.7-62.1178.7-25.300112.6Y100 K121 I122 K126Y100-Q124 PolarHBondContact O-OE1 3.04Å; K121-Q124 VanDerWaalsContact O-CB 3.24Å; K121-Q124 WeakPolarHBondContact O-CB 3.43Å; K121-Q124 WeakPolarHBondContact O-CG 3.39Å; K121-Q124 PolarHBondContact O-N 3.32Å; I122-Q124 PolarHBondContact O-N 3.37Å; Q124-K126 PolarHBondContact O-N 3.16Å
125L98.3Very high98.3Very high0 Ų050 Ų500%024%0.24CC..  trans-81.855.6-176.8-56.1-173.9000112.5I99 L108 I122 G123 R127 L128 L148I99-L125 HydrophobicContact CG2-CD1 4.37Å; I99-L125 WeakPolarHBondContact O-CD2 3.4Å; L108-L125 HydrophobicContact CD2-CD1 4.49Å; I122-L125 HydrophobicContact CD1-CD1 3.75Å; I122-L125 PolarHBondContact O-N 2.82Å; G123-L125 VanDerWaalsContact C-N 3.35Å; L125-R127 PolarHBondContact O-N 3.37Å; L125-L128 HydrophobicContact CB-CB 4.13Å; L125-L128 HydrophobicContact CB-CD2 4.48Å; L125-L128 HydrophobicContact CD1-CD2 4.37Å; L125-L128 WeakPolarHBondContact O-CB 3.5Å; L125-L128 PolarHBondContact O-N 3.14Å; L125-L148 HydrophobicContact CB-CD2 4.12Å; L125-L148 VanDerWaalsContact O-CD2 3.27Å; L125-L148 WeakPolarHBondContact O-CD2 3.28Å
126K97.5Very high98.3Very high132 Ų13250.6 Ų50.657%0.57424%0.243SC*.THydrogen-bonded Turntrans-62.3-15.3-170.3-61.9-172.7177.9-174.80115.5Q124 C150Q124-K126 PolarHBondContact O-N 3.16Å; K126-C150 PolarHBondContact O-SG 3.04Å; K126-C150 VanDerWaalsContact O-SG 3.41Å
127R98.3Very high98.3Very high152 Ų15253 Ų5357%0.57425%0.249SC*.THydrogen-bonded Turntrans-91.2-4.1176.1-66.3-173.5179.2179.51.5113.6S103 L105 E106 L125 K129S103-R127 WeakPolarHBondContact O-CD 3.39Å; L105-R127 CarbonylContact O-C 3.28Å; E106-R127 WeakPolarHBondContact CA-O 3.46Å; L125-R127 PolarHBondContact O-N 3.37Å; R127-K129 PolarHBondContact O-N 2.86Å
128L98.8Very high98.4Very high0 Ų049.4 Ų49.40%023%0.227CC..  trans-66.6122.3-175.2-159.572.2000110.2L105 L108 L125 L131 L148 C150 L151L105-L128 HydrophobicContact CB-CD1 4.13Å; L105-L128 WeakPolarHBondContact O-CA 3.49Å; L105-L128 PolarHBondContact O-N 3.11Å; L105-L128 VanDerWaalsContact O-N 3.14Å; L108-L128 HydrophobicContact CB-CD1 3.94Å; L125-L128 HydrophobicContact CB-CB 4.13Å; L125-L128 HydrophobicContact CB-CD2 4.48Å; L125-L128 HydrophobicContact CD1-CD2 4.37Å; L125-L128 WeakPolarHBondContact O-CB 3.5Å; L125-L128 PolarHBondContact O-N 3.14Å; L128-L131 HydrophobicContact CD2-CB 3.86Å; L128-L131 HydrophobicContact CD2-CD1 4.28Å; L128-L131 HydrophobicContact CD2-CD2 4.16Å; L128-L131 HydrophobicContact CD2-CG 4.33Å; L128-L148 HydrophobicContact CB-CD2 4.45Å; L128-L148 HydrophobicContact CD2-CD1 4.19Å; L128-C150 CarbonylContact O-C 3.4Å; L128-L151 HydrophobicContact CD2-CD1 4.46Å; L128-L151 HydrophobicContact CG-CD1 4.43Å; L128-L151 VanDerWaalsContact O-CA 3.28Å; L128-L151 WeakPolarHBondContact O-CA 3.36Å; L128-L151 PolarHBondContact O-N 2.97Å
129K98.9Very high98.3Very high88 Ų8854.3 Ų54.338%0.38325%0.249SC..  trans-102.9-31.6177.1-65.7173.6-176.6163.40112E106 R127 C150 L152 V153E106-K129 HydrophobicContact CB-CD 4.48Å; E106-K129 WeakPolarHBondContact O-CA 3.47Å; E106-K129 PolarHBondContact O-N 3.09Å; E106-K129 WeakPolarHBondContact OE2-CE 3.32Å; E106-K129 IonicContact OE2-NZ 2.74Å; E106-K129 PolarHBondContact OE2-NZ 2.9Å; R127-K129 PolarHBondContact O-N 2.86Å; K129-C150 WeakPolarHBondContact CA-O 3.12Å; K129-C150 HydrophobicContact CG-CB 4.47Å; K129-L152 HydrophobicContact CB-CD1 4.28Å; K129-L152 HydrophobicContact CB-CG 4.32Å; K129-L152 HydrophobicContact CG-CD1 4.47Å; K129-L152 WeakPolarHBondContact O-CA 3.1Å; K129-L152 WeakPolarHBondContact O-CB 3.48Å; K129-L152 PolarHBondContact O-N 3.4Å; K129-V153 PolarHBondContact O-N 3.02Å
130M98.9Very high98.4Very high54 Ų5455.6 Ų55.627%0.26626%0.257SS..EExtended strand (participates in β ladder)trans-136.2127.3-180174.4175.1-7700111.4E106 T107 L108 W109 V153E106-M130 PolarHBondContact O-N 2.94Å; T107-M130 WeakPolarHBondContact CA-O 3.34Å; T107-M130 HydrophobicContact CG2-CB 3.87Å; T107-M130 HydrophobicContact CG2-CG 3.95Å; T107-M130 HydrophobicContact CG2-SD 3.99Å; L108-M130 PolarHBondContact N-O 3.27Å; W109-M130 HydrophobicContact CZ2-SD 4.17Å; M130-V153 WeakPolarHBondContact CA-O 3.27Å; M130-V153 HydrophobicContact CB-CB 4.38Å; M130-V153 HydrophobicContact CE-CB 3.82Å; M130-V153 HydrophobicContact CE-CG1 3.86Å; M130-V153 HydrophobicContact CE-CG2 3.85Å; M130-V153 HydrophobicContact CG-CB 4.24Å; M130-V153 HydrophobicContact CG-CG1 4.4Å
131L98.9Very high98.4Very high0 Ų050.8 Ų50.80%024%0.235CC..EExtended strand (participates in β ladder)trans-127.3114.6174.9179.954.1000109.7L108 I122 L128 L133 I145 L151 V153 L154 L155L108-L131 HydrophobicContact CB-CD1 4.12Å; L108-L131 HydrophobicContact CD2-CD1 3.94Å; L108-L131 HydrophobicContact CG-CD1 4.11Å; I122-L131 HydrophobicContact CD1-CD2 4.43Å; I122-L131 HydrophobicContact CG1-CD2 4.5Å; L128-L131 HydrophobicContact CD2-CB 3.86Å; L128-L131 HydrophobicContact CD2-CD1 4.28Å; L128-L131 HydrophobicContact CD2-CD2 4.16Å; L128-L131 HydrophobicContact CD2-CG 4.33Å; L131-L133 HydrophobicContact CD1-CD1 4.26Å; L131-L133 HydrophobicContact CD1-CD2 4.21Å; L131-L133 HydrophobicContact CD1-CG 3.94Å; L131-L133 HydrophobicContact CD2-CD1 3.84Å; L131-L133 HydrophobicContact CD2-CG 4.41Å; L131-L133 HydrophobicContact CG-CD1 3.88Å; L131-L133 HydrophobicContact CG-CG 3.93Å; L131-I145 HydrophobicContact CD2-CD1 4.18Å; L131-L151 HydrophobicContact CB-CD1 4.12Å; L131-V153 PolarHBondContact N-O 3.3Å; L131-L154 HydrophobicContact CB-CD1 3.94Å; L131-L154 HydrophobicContact CD2-CD1 3.88Å; L131-L154 HydrophobicContact CG-CD1 3.95Å; L131-L155 PolarHBondContact O-N 3.44Å
132D98.9Very high98.4Very high1 Ų145.5 Ų45.51%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-111.5105.4177.9-174.6-0.7000110.6L108 W109 L110 R111 R134 L155L108-D132 PolarHBondContact O-N 2.96Å; W109-D132 HydrophobicContact CG-CB 4.36Å; L110-D132 CarbonylContact C-O 3.25Å; L110-D132 WeakPolarHBondContact CA-O 3.07Å; L110-D132 PolarHBondContact N-O 3.29Å; R111-D132 PolarHBondContact N-O 2.92Å; D132-R134 WeakPolarHBondContact OD1-CB 2.92Å; D132-R134 VanDerWaalsContact OD1-CG 3.25Å; D132-R134 WeakPolarHBondContact OD1-CG 3.41Å; D132-R134 IonicContact OD1-CZ 3.6Å; D132-R134 PolarHBondContact OD1-N 3.46Å; D132-R134 IonicContact OD1-NE 3.83Å; D132-R134 PolarHBondContact OD1-NE 3.26Å; D132-R134 IonicContact OD1-NH2 2.94Å; D132-R134 IonicContact OD2-CZ 3.74Å; D132-R134 IonicContact OD2-NE 3.62Å; D132-R134 PolarHBondContact OD2-NE 2.88Å; D132-R134 IonicContact OD2-NH2 2.91Å; D132-R134 PolarHBondContact OD2-NH2 3.45Å; D132-L155 HydrophobicContact CB-CD1 4.47Å
133L98.8Very high98.4Very high0 Ų049.2 Ų49.20%024%0.239CC..  trans-111.612.1-179.3-68.7166.9000112.2I95 L110 V118 L131 N136 I138 L141 L155 N159I95-L133 HydrophobicContact CD1-CD2 4.15Å; L110-L133 HydrophobicContact CB-CD2 4.07Å; L110-L133 HydrophobicContact CD1-CD2 3.67Å; V118-L133 HydrophobicContact CG2-CD1 4.03Å; L131-L133 HydrophobicContact CD1-CD1 4.26Å; L131-L133 HydrophobicContact CD1-CD2 4.21Å; L131-L133 HydrophobicContact CD1-CG 3.94Å; L131-L133 HydrophobicContact CD2-CD1 3.84Å; L131-L133 HydrophobicContact CD2-CG 4.41Å; L131-L133 HydrophobicContact CG-CD1 3.88Å; L131-L133 HydrophobicContact CG-CG 3.93Å; L133-N136 PolarHBondContact O-ND2 3.24Å; L133-I138 HydrophobicContact CB-CD1 3.78Å; L133-I138 HydrophobicContact CD1-CD1 4.08Å; L133-I138 HydrophobicContact CD2-CD1 3.95Å; L133-I138 HydrophobicContact CG-CD1 4.16Å; L133-L141 HydrophobicContact CD1-CD2 4.2Å; L133-L155 WeakPolarHBondContact CA-O 3.15Å; L133-L155 PolarHBondContact N-O 3.08Å; L133-N159 PolarHBondContact O-ND2 3.21Å
134R98.8Very high98.4Very high61 Ų6149.7 Ų49.723%0.2324%0.241CC..  trans-57155.6-175-66.1178.6-70.1178.1-0.5112.5R111 Y112 D132 N136 L155 S157R111-R134 WeakPolarHBondContact CA-O 3.35Å; R111-R134 HydrophobicContact CB-CB 4.38Å; R111-R134 HydrophobicContact CG-CB 3.89Å; R111-R134 WeakPolarHBondContact CG-O 3.42Å; Y112-R134 PolarHBondContact N-O 2.96Å; D132-R134 WeakPolarHBondContact OD1-CB 2.92Å; D132-R134 VanDerWaalsContact OD1-CG 3.25Å; D132-R134 WeakPolarHBondContact OD1-CG 3.41Å; D132-R134 IonicContact OD1-CZ 3.6Å; D132-R134 PolarHBondContact OD1-N 3.46Å; D132-R134 IonicContact OD1-NE 3.83Å; D132-R134 PolarHBondContact OD1-NE 3.26Å; D132-R134 IonicContact OD1-NH2 2.94Å; D132-R134 IonicContact OD2-CZ 3.74Å; D132-R134 IonicContact OD2-NE 3.62Å; D132-R134 PolarHBondContact OD2-NE 2.88Å; D132-R134 IonicContact OD2-NH2 2.91Å; D132-R134 PolarHBondContact OD2-NH2 3.45Å; R134-N136 PolarHBondContact O-N 3.36Å; R134-N136 PolarHBondContact O-ND2 2.88Å; R134-N136 VanDerWaalsContact O-ND2 3.14Å; R134-L155 HydrophobicContact CG-CB 3.69Å; R134-L155 PolarHBondContact N-O 3.43Å; R134-S157 CarbonylContact C-O 3.21Å; R134-S157 WeakPolarHBondContact CA-O 3.35Å; R134-S157 VanDerWaalsContact CD-OG 3.23Å; R134-S157 WeakPolarHBondContact CD-OG 3.45Å; R134-S157 VanDerWaalsContact CG-OG 3.26Å; R134-S157 WeakPolarHBondContact CG-OG 3.27Å
135E98.7Very high98.4Very high52 Ų5245.1 Ų45.124%0.24322%0.219CC..SBendtrans5655.4171.7-59.5-90.5-146.800111.7R111 Y112 N113 S157 Y158R111-E135 HydrophobicContact CG-CB 4.11Å; R111-E135 HydrophobicContact CG-CG 4.31Å; R111-E135 IonicContact NH2-OE1 3.49Å; Y112-E135 WeakPolarHBondContact CA-O 3.38Å; Y112-E135 HydrophobicContact CD1-CB 3.47Å; Y112-E135 VanDerWaalsContact CD1-CB 3.47Å; Y112-E135 HydrophobicContact CD1-CG 3.94Å; Y112-E135 HydrophobicContact CD2-CB 4.37Å; Y112-E135 HydrophobicContact CD2-CG 4.49Å; Y112-E135 HydrophobicContact CE1-CB 3.56Å; Y112-E135 HydrophobicContact CE1-CG 3.47Å; Y112-E135 VanDerWaalsContact CE1-CG 3.47Å; Y112-E135 WeakPolarHBondContact CE1-OE1 3.22Å; Y112-E135 HydrophobicContact CE2-CG 4.16Å; Y112-E135 HydrophobicContact CG-CB 3.88Å; Y112-E135 HydrophobicContact CG-CG 4.4Å; Y112-E135 VanDerWaalsContact CZ-OE1 3.24Å; Y112-E135 PolarHBondContact N-O 3.39Å; Y112-E135 PolarHBondContact OH-OE1 3.39Å; N113-E135 PolarHBondContact N-O 3.39Å; E135-S157 PolarHBondContact N-O 3.26Å; E135-Y158 VanDerWaalsContact CA-O 3.26Å; E135-Y158 WeakPolarHBondContact CA-O 3.25Å; E135-Y158 HydrophobicContact CG-CD2 4.45Å; E135-Y158 HydrophobicContact CG-CG 4.42Å; E135-Y158 PolarHBondContact N-O 3.35Å
136N98.8Very high98.4Very high11 Ų1145.7 Ų45.76%0.05923%0.225CC..SBendtrans-130.9-160.2176.1-86.4-75.9000108.8L110 N113 R114 I115 L133 R134 I138 Y158 N159L110-N136 PolarHBondContact O-ND2 3.38Å; N113-N136 VanDerWaalsContact CA-OD1 3.28Å; N113-N136 WeakPolarHBondContact CA-OD1 3.42Å; N113-N136 WeakPolarHBondContact CB-OD1 3.28Å; N113-N136 PolarHBondContact N-OD1 3.12Å; N113-N136 PolarHBondContact O-OD1 2.9Å; R114-N136 PolarHBondContact N-OD1 3.22Å; I115-N136 HydrophobicContact CB-CB 4.26Å; I115-N136 WeakPolarHBondContact CB-OD1 3.27Å; I115-N136 WeakPolarHBondContact CG1-OD1 3.47Å; I115-N136 PolarHBondContact N-OD1 2.95Å; L133-N136 PolarHBondContact O-ND2 3.24Å; R134-N136 PolarHBondContact O-N 3.36Å; R134-N136 PolarHBondContact O-ND2 2.88Å; R134-N136 VanDerWaalsContact O-ND2 3.14Å; N136-I138 HydrophobicContact CB-CD1 4.18Å; N136-I138 HydrophobicContact CB-CG1 4.09Å; N136-Y158 PolarHBondContact N-O 3.26Å; N136-N159 WeakPolarHBondContact CA-OD1 3.41Å; N136-N159 WeakPolarHBondContact CB-OD1 3.41Å; N136-N159 PolarHBondContact O-OD1 3.17Å
137K98.3Very high98.4Very high108 Ų10841.4 Ų41.447%0.4721%0.214SC..  trans-124.427.7-179.2-59.4-175.2177.9-172.40111.8I115 T116 Q139 N159I115-K137 CarbonylContact O-C 3.5Å; I115-K137 VanDerWaalsContact O-CA 3.29Å; I115-K137 WeakPolarHBondContact O-CA 3.23Å; I115-K137 PolarHBondContact O-N 3.03Å; T116-K137 WeakPolarHBondContact CA-O 3.49Å; T116-K137 HydrophobicContact CG2-CB 4.14Å; K137-Q139 PolarHBondContact O-N 3.31Å; K137-N159 PolarHBondContact N-OD1 3.47Å
138I98.6Very high98.4Very high1 Ų134.2 Ų34.21%0.00519%0.187CC..  trans-71.1128.4-170.8-59.4167000109.8I115 T116 V118 L133 N136 A140 L141 N159 H160 L161I115-I138 HydrophobicContact CB-CG1 4.36Å; I115-I138 HydrophobicContact CG2-CD1 4.21Å; I115-I138 HydrophobicContact CG2-CG1 3.95Å; I115-I138 WeakPolarHBondContact O-CG1 3.49Å; I115-I138 PolarHBondContact O-N 3.38Å; T116-I138 WeakPolarHBondContact O-CA 3.32Å; V118-I138 HydrophobicContact CG2-CD1 3.89Å; V118-I138 HydrophobicContact CG2-CG1 4.41Å; V118-I138 HydrophobicContact CG2-CG2 4.15Å; L133-I138 HydrophobicContact CB-CD1 3.78Å; L133-I138 HydrophobicContact CD1-CD1 4.08Å; L133-I138 HydrophobicContact CD2-CD1 3.95Å; L133-I138 HydrophobicContact CG-CD1 4.16Å; N136-I138 HydrophobicContact CB-CD1 4.18Å; N136-I138 HydrophobicContact CB-CG1 4.09Å; I138-A140 VanDerWaalsContact CG2-O 3.27Å; I138-A140 WeakPolarHBondContact CG2-O 3.29Å; I138-L141 HydrophobicContact CG2-CD2 4.34Å; I138-N159 HydrophobicContact CB-CB 4.32Å; I138-N159 WeakPolarHBondContact CB-OD1 3.33Å; I138-N159 WeakPolarHBondContact CG1-OD1 3.48Å; I138-N159 PolarHBondContact N-OD1 2.87Å; I138-H160 CarbonylContact O-C 3.22Å; I138-H160 VanDerWaalsContact O-CA 3.32Å; I138-H160 WeakPolarHBondContact O-CA 3.42Å; I138-H160 PolarHBondContact O-N 2.91Å; I138-L161 HydrophobicContact CB-CD2 4.46Å; I138-L161 HydrophobicContact CG2-CD2 3.79Å; I138-L161 PolarHBondContact O-N 3.37Å
139Q97.2Very high98.3Very high112 Ų11237.3 Ų37.352%0.52321%0.209SC..  trans-97.6-26.4-178.1-63.6176.437.900113.7T116 K137 H160 L161 R162T116-Q139 PolarHBondContact O-N 3.18Å; K137-Q139 PolarHBondContact O-N 3.31Å; Q139-H160 WeakPolarHBondContact CA-O 3.5Å; Q139-H160 HydrophobicContact CG-CB 4.25Å; Q139-L161 WeakPolarHBondContact O-CA 3.42Å; Q139-R162 PolarHBondContact O-N 3.19Å
140A97.6Very high98.2Very high54 Ų5435.6 Ų35.645%0.44621%0.208SC..  trans-153.9153.1177.600000110.9I138I138-A140 VanDerWaalsContact CG2-O 3.27Å; I138-A140 WeakPolarHBondContact CG2-O 3.29Å
141L98.3Very high98.2Very high12 Ų1233 Ų336%0.06320%0.195CC..  trans-99.7139.1165.9-64.6177.7000109.5V118 L133 I138 L154 L161 P165 F179V118-L141 HydrophobicContact CB-CD2 4.38Å; V118-L141 HydrophobicContact CG2-CD2 3.93Å; L133-L141 HydrophobicContact CD1-CD2 4.2Å; I138-L141 HydrophobicContact CG2-CD2 4.34Å; L141-L154 HydrophobicContact CD1-CD2 4.2Å; L141-L161 HydrophobicContact CG-CD2 4.09Å; L141-P165 HydrophobicContact CB-CG 3.93Å; L141-F179 HydrophobicContact CD1-CE1 3.87Å; L141-F179 HydrophobicContact CD1-CZ 4.19Å
142P98.1Very high98.2Very high11 Ų1136.3 Ų36.37%0.07121%0.212CC..  trans-70.4154.7179.430.1-36.4000111.3V118 E120 I122 S144 I145V118-P142 HydrophobicContact CB-CG 4.33Å; V118-P142 HydrophobicContact CG1-CG 3.97Å; V118-P142 WeakPolarHBondContact O-CD 3.27Å; V118-P142 WeakPolarHBondContact O-CG 3.32Å; E120-P142 HydrophobicContact CG-CB 4.23Å; E120-P142 WeakPolarHBondContact OE1-CB 3.4Å; I122-P142 HydrophobicContact CG2-CG 3.64Å; P142-S144 WeakPolarHBondContact CG-OG 3.44Å; P142-S144 PolarHBondContact O-N 2.98Å; P142-I145 WeakPolarHBondContact O-CB 3.3Å; P142-I145 VanDerWaalsContact O-CG2 3.29Å; P142-I145 WeakPolarHBondContact O-CG2 3.4Å; P142-I145 PolarHBondContact O-N 3.15Å; P142-I145 VanDerWaalsContact O-N 3.12Å
143S98Very high98.2Very high78 Ų7836.8 Ų36.855%0.54522%0.215SC..G310 helixtrans-62.2-28.5177.267.80000112.5I145 G146 A167S143-I145 PolarHBondContact O-N 2.85Å; S143-G146 PolarHBondContact O-N 3.46Å; S143-A167 WeakPolarHBondContact O-CB 3.17Å
144S98.3Very high98.2Very high20 Ų2036.8 Ų36.814%0.1422%0.215CC..G310 helixtrans-57.2-14.9174.266.70000114.7E120 I122 G123 P142 G146 A147E120-S144 WeakPolarHBondContact CA-OG 3.27Å; E120-S144 WeakPolarHBondContact O-CB 3.21Å; E120-S144 PolarHBondContact O-OG 2.97Å; E120-S144 WeakPolarHBondContact OE2-CB 3.37Å; E120-S144 PolarHBondContact OE2-N 3.26Å; E120-S144 PolarHBondContact OE2-OG 2.99Å; I122-S144 VanDerWaalsContact CG2-OG 3.28Å; I122-S144 WeakPolarHBondContact CG2-OG 3.32Å; G123-S144 VanDerWaalsContact CA-O 3.31Å; G123-S144 WeakPolarHBondContact CA-O 2.98Å; P142-S144 WeakPolarHBondContact CG-OG 3.44Å; P142-S144 PolarHBondContact O-N 2.98Å; S144-G146 PolarHBondContact O-N 3.04Å; S144-A147 WeakPolarHBondContact O-CB 3.11Å; S144-A147 PolarHBondContact O-N 2.95Å
145I98.3Very high98.3Very high0 Ų035 Ų350%021%0.21CC..G310 helixtrans-56.5-32.3175.2-159.674.8000111.5I122 L131 P142 S143 A147 L148 P165 C171I122-I145 HydrophobicContact CG1-CD1 4.38Å; I122-I145 HydrophobicContact CG2-CD1 4.33Å; L131-I145 HydrophobicContact CD2-CD1 4.18Å; P142-I145 WeakPolarHBondContact O-CB 3.3Å; P142-I145 VanDerWaalsContact O-CG2 3.29Å; P142-I145 WeakPolarHBondContact O-CG2 3.4Å; P142-I145 PolarHBondContact O-N 3.15Å; P142-I145 VanDerWaalsContact O-N 3.12Å; S143-I145 PolarHBondContact O-N 2.85Å; I145-A147 PolarHBondContact O-N 2.99Å; I145-A147 VanDerWaalsContact O-N 3.13Å; I145-L148 HydrophobicContact CD1-CD1 3.52Å; I145-L148 HydrophobicContact CD1-CG 4.48Å; I145-L148 HydrophobicContact CG1-CD1 4.18Å; I145-L148 WeakPolarHBondContact O-CB 3.35Å; I145-L148 WeakPolarHBondContact O-CG 3.34Å; I145-L148 PolarHBondContact O-N 3.42Å; I145-L148 VanDerWaalsContact O-N 3.09Å; I145-P165 HydrophobicContact CG2-CG 3.76Å; I145-C171 PolarHBondContact O-SG 2.81Å
146G98.2Very high98.2Very high12 Ų1232.5 Ų32.512%0.12420%0.198CC..G310 helixtrans-64.1-14.117700000114.6S143 S144 L148 A167S143-G146 PolarHBondContact O-N 3.46Å; S144-G146 PolarHBondContact O-N 3.04Å; G146-L148 VanDerWaalsContact C-N 3.26Å; G146-L148 PolarHBondContact O-N 3.42Å; G146-A167 WeakPolarHBondContact CA-O 3.42Å
147A98.2Very high98.2Very high43 Ų4332 Ų3236%0.35520%0.196SC..G310 helixtrans-78.4-8.2174.900000113.4S144 I145 S149S144-A147 WeakPolarHBondContact O-CB 3.11Å; S144-A147 PolarHBondContact O-N 2.95Å; I145-A147 PolarHBondContact O-N 2.99Å; I145-A147 VanDerWaalsContact O-N 3.13Å; A147-S149 PolarHBondContact O-N 3.34Å
148L98.5Very high98.3Very high0 Ų031.2 Ų31.20%019%0.191CC..  trans-79.967.4179.4-58.5-176.7000111.3I122 L125 L128 I145 G146 C150 L151I122-L148 HydrophobicContact CG1-CD1 4.4Å; I122-L148 WeakPolarHBondContact O-CD2 3.5Å; L125-L148 HydrophobicContact CB-CD2 4.12Å; L125-L148 VanDerWaalsContact O-CD2 3.27Å; L125-L148 WeakPolarHBondContact O-CD2 3.28Å; L128-L148 HydrophobicContact CB-CD2 4.45Å; L128-L148 HydrophobicContact CD2-CD1 4.19Å; I145-L148 HydrophobicContact CD1-CD1 3.52Å; I145-L148 HydrophobicContact CD1-CG 4.48Å; I145-L148 HydrophobicContact CG1-CD1 4.18Å; I145-L148 WeakPolarHBondContact O-CB 3.35Å; I145-L148 WeakPolarHBondContact O-CG 3.34Å; I145-L148 PolarHBondContact O-N 3.42Å; I145-L148 VanDerWaalsContact O-N 3.09Å; G146-L148 VanDerWaalsContact C-N 3.26Å; G146-L148 PolarHBondContact O-N 3.42Å; L148-C150 PolarHBondContact O-N 3.31Å; L148-L151 HydrophobicContact CB-CB 3.94Å; L148-L151 HydrophobicContact CB-CD2 4.28Å; L148-L151 HydrophobicContact CD1-CD1 4.45Å; L148-L151 HydrophobicContact CD1-CD2 4.01Å; L148-L151 VanDerWaalsContact O-CB 3.24Å; L148-L151 WeakPolarHBondContact O-CB 3.35Å; L148-L151 PolarHBondContact O-N 3.47Å
149S95.8Very high98.3Very high65 Ų6531.5 Ų31.546%0.45519%0.192SC..THydrogen-bonded Turntrans-62.7-15.8-173.457.70000115.2A147 E173A147-S149 PolarHBondContact O-N 3.34Å; S149-E173 WeakPolarHBondContact O-CG 3.48Å
150C98.2Very high98.3Very high53 Ų5330 Ų3036%0.35819%0.185SC..THydrogen-bonded Turntrans-99.52.8177.2-65.90000113.7K126 L128 K129 L148 L152K126-C150 PolarHBondContact O-SG 3.04Å; K126-C150 VanDerWaalsContact O-SG 3.41Å; L128-C150 CarbonylContact O-C 3.4Å; K129-C150 WeakPolarHBondContact CA-O 3.12Å; K129-C150 HydrophobicContact CG-CB 4.47Å; L148-C150 PolarHBondContact O-N 3.31Å; C150-L152 PolarHBondContact O-N 3.14Å
151L98.8Very high98.4Very high0 Ų027.5 Ų27.50%016%0.164CC..  trans-71117.3-171.6-166.668.3000111.1L128 L131 L148 L154 E173 L174L128-L151 HydrophobicContact CD2-CD1 4.46Å; L128-L151 HydrophobicContact CG-CD1 4.43Å; L128-L151 VanDerWaalsContact O-CA 3.28Å; L128-L151 WeakPolarHBondContact O-CA 3.36Å; L128-L151 PolarHBondContact O-N 2.97Å; L131-L151 HydrophobicContact CB-CD1 4.12Å; L148-L151 HydrophobicContact CB-CB 3.94Å; L148-L151 HydrophobicContact CB-CD2 4.28Å; L148-L151 HydrophobicContact CD1-CD1 4.45Å; L148-L151 HydrophobicContact CD1-CD2 4.01Å; L148-L151 VanDerWaalsContact O-CB 3.24Å; L148-L151 WeakPolarHBondContact O-CB 3.35Å; L148-L151 PolarHBondContact O-N 3.47Å; L151-L154 HydrophobicContact CD2-CB 4.02Å; L151-L154 HydrophobicContact CD2-CD2 4.42Å; L151-E173 CarbonylContact O-C 3.17Å; L151-E173 VanDerWaalsContact O-C 3.25Å; L151-L174 HydrophobicContact CB-CD2 4.41Å; L151-L174 HydrophobicContact CD2-CD2 4.04Å; L151-L174 HydrophobicContact CG-CD2 3.9Å; L151-L174 WeakPolarHBondContact O-CA 3.2Å; L151-L174 PolarHBondContact O-N 3.21Å; L151-L174 VanDerWaalsContact O-N 3.11Å
152L98.9Very high98.3Very high68 Ų6834.5 Ų34.536%0.35619%0.189SC..  trans-97.7-35.7178.4-58.2178.8000112K129 C150 E173 S175 Q176K129-L152 HydrophobicContact CB-CD1 4.28Å; K129-L152 HydrophobicContact CB-CG 4.32Å; K129-L152 HydrophobicContact CG-CD1 4.47Å; K129-L152 WeakPolarHBondContact O-CA 3.1Å; K129-L152 WeakPolarHBondContact O-CB 3.48Å; K129-L152 PolarHBondContact O-N 3.4Å; C150-L152 PolarHBondContact O-N 3.14Å; L152-E173 HydrophobicContact CD2-CB 3.9Å; L152-E173 WeakPolarHBondContact CD2-O 3.3Å; L152-S175 PolarHBondContact O-N 3.45Å; L152-S175 PolarHBondContact O-OG 3.12Å; L152-Q176 PolarHBondContact O-N 3.27Å; L152-Q176 VanDerWaalsContact O-N 3.09Å
153V98.9Very high98.3Very high12 Ų1237.2 Ų37.27%0.07321%0.209CC..EExtended strand (participates in β ladder)trans-135.6120.3-173.9-179.60000110.5K129 M130 L131 L155 Q176K129-V153 PolarHBondContact O-N 3.02Å; M130-V153 WeakPolarHBondContact CA-O 3.27Å; M130-V153 HydrophobicContact CB-CB 4.38Å; M130-V153 HydrophobicContact CE-CB 3.82Å; M130-V153 HydrophobicContact CE-CG1 3.86Å; M130-V153 HydrophobicContact CE-CG2 3.85Å; M130-V153 HydrophobicContact CG-CB 4.24Å; M130-V153 HydrophobicContact CG-CG1 4.4Å; L131-V153 PolarHBondContact N-O 3.3Å; V153-L155 HydrophobicContact CG1-CD1 4.31Å; V153-L155 HydrophobicContact CG1-CD2 3.82Å; V153-L155 HydrophobicContact CG1-CG 3.78Å; V153-Q176 WeakPolarHBondContact CA-O 3.49Å; V153-Q176 HydrophobicContact CB-CB 4.42Å; V153-Q176 HydrophobicContact CG1-CB 4.08Å; V153-Q176 HydrophobicContact CG2-CB 4.09Å; V153-Q176 HydrophobicContact CG2-CG 4.22Å
154L98.9Very high98.2Very high0 Ų033.9 Ų33.90%019%0.186CC..EExtended strand (participates in β ladder)trans-121113.7171.2179.659.4000109.8L131 L141 L151 I168 L174 Q176 L177 D178 F179L131-L154 HydrophobicContact CB-CD1 3.94Å; L131-L154 HydrophobicContact CD2-CD1 3.88Å; L131-L154 HydrophobicContact CG-CD1 3.95Å; L141-L154 HydrophobicContact CD1-CD2 4.2Å; L151-L154 HydrophobicContact CD2-CB 4.02Å; L151-L154 HydrophobicContact CD2-CD2 4.42Å; L154-I168 HydrophobicContact CD2-CD1 3.68Å; L154-L174 HydrophobicContact CB-CD2 4.04Å; L154-Q176 PolarHBondContact N-O 2.88Å; L154-L177 HydrophobicContact CB-CD1 3.85Å; L154-L177 HydrophobicContact CD2-CD1 3.75Å; L154-L177 HydrophobicContact CG-CD1 4.01Å; L154-L177 WeakPolarHBondContact O-CA 3.39Å; L154-D178 PolarHBondContact O-N 3.36Å; L154-F179 HydrophobicContact CD2-CZ 4.43Å
155L98.9Very high98.2Very high22 Ų2233.9 Ų33.912%0.11519%0.186CC..EExtended strand (participates in β ladder)trans-111.4113.6177.8-51.4179000109.6L131 D132 L133 R134 V153 D178L131-L155 PolarHBondContact O-N 3.44Å; D132-L155 HydrophobicContact CB-CD1 4.47Å; L133-L155 WeakPolarHBondContact CA-O 3.15Å; L133-L155 PolarHBondContact N-O 3.08Å; R134-L155 HydrophobicContact CG-CB 3.69Å; R134-L155 PolarHBondContact N-O 3.43Å; V153-L155 HydrophobicContact CG1-CD1 4.31Å; V153-L155 HydrophobicContact CG1-CD2 3.82Å; V153-L155 HydrophobicContact CG1-CG 3.78Å; L155-D178 HydrophobicContact CD2-CB 3.72Å
156C98.5Very high98.1Very high0 Ų038.1 Ų38.10%022%0.215CC..  trans-129.718.5-177.1-750000112.5N159 L161 D178 F179 N182C156-N159 PolarHBondContact O-ND2 3.08Å; C156-L161 HydrophobicContact CB-CD1 3.9Å; C156-D178 CarbonylContact C-O 3.27Å; C156-D178 WeakPolarHBondContact CA-O 3.49Å; C156-D178 PolarHBondContact N-O 3.34Å; C156-F179 HydrophobicContact CB-CD1 3.68Å; C156-F179 HydrophobicContact CB-CE1 3.79Å; C156-N182 PolarHBondContact O-ND2 2.89Å
157S98.6Very high98.1Very high2 Ų238.1 Ų38.11%0.01421%0.214CC..  trans-67.6154.7-179.849.70000114.5R134 E135 N159 D178 Q180R134-S157 CarbonylContact C-O 3.21Å; R134-S157 WeakPolarHBondContact CA-O 3.35Å; R134-S157 VanDerWaalsContact CD-OG 3.23Å; R134-S157 WeakPolarHBondContact CD-OG 3.45Å; R134-S157 VanDerWaalsContact CG-OG 3.26Å; R134-S157 WeakPolarHBondContact CG-OG 3.27Å; E135-S157 PolarHBondContact N-O 3.26Å; S157-N159 PolarHBondContact O-ND2 3.27Å; S157-D178 VanDerWaalsContact CB-OD2 3.24Å; S157-D178 WeakPolarHBondContact CB-OD2 3.41Å; S157-D178 PolarHBondContact N-O 2.85Å; S157-D178 PolarHBondContact OG-OD2 2.97Å; S157-Q180 CarbonylContact C-O 3.16Å; S157-Q180 WeakPolarHBondContact CA-O 3.46Å; S157-Q180 WeakPolarHBondContact CB-O 3.49Å
158Y98.7Very high98.1Very high91 Ų9136.1 Ų36.136%0.35720%0.197SC..SBendtrans57.260.2-174.5-58.2-88.1000112E135 N136 Q180 H181E135-Y158 VanDerWaalsContact CA-O 3.26Å; E135-Y158 WeakPolarHBondContact CA-O 3.25Å; E135-Y158 HydrophobicContact CG-CD2 4.45Å; E135-Y158 HydrophobicContact CG-CG 4.42Å; E135-Y158 PolarHBondContact N-O 3.35Å; N136-Y158 PolarHBondContact N-O 3.26Å; Y158-Q180 PolarHBondContact N-O 2.9Å; Y158-Q180 VanDerWaalsContact N-O 3.07Å; Y158-H181 WeakPolarHBondContact CA-O 3.27Å; Y158-H181 HydrophobicContact CD1-CB 3.55Å; Y158-H181 AromaticContact CD1-CG 3.79Å; Y158-H181 HydrophobicContact CD2-CB 4.33Å; Y158-H181 HydrophobicContact CE1-CB 3.7Å; Y158-H181 AromaticContact CE1-CD2 3.42Å; Y158-H181 VanDerWaalsContact CE1-CD2 3.42Å; Y158-H181 WeakPolarHBondContact CE1-CD2 3.19Å; Y158-H181 AromaticContact CE1-CG 3.36Å; Y158-H181 AromaticContact CE1-ND1 3.78Å; Y158-H181 AromaticContact CE1-NE2 3.87Å; Y158-H181 HydrophobicContact CE2-CB 4.47Å; Y158-H181 AromaticContact CE2-CD2 3.76Å; Y158-H181 HydrophobicContact CG-CB 3.89Å; Y158-H181 AromaticContact CZ-CD2 3.18Å; Y158-H181 AromaticContact CZ-CG 3.67Å; Y158-H181 AromaticContact CZ-NE2 3.63Å; Y158-H181 PolarHBondContact N-O 3.3Å; Y158-H181 PolarHBondContact OH-CD2 3.01Å; Y158-H181 PolarHBondContact OH-NE2 2.95Å; Y158-H181 VanDerWaalsContact OH-NE2 3.14Å
159N98.8Very high98.1Very high7 Ų736.1 Ų36.14%0.03720%0.197CC..SBendtrans-135.3-165.9173.9-85.1-77000109.1L133 N136 K137 I138 C156 S157 L161 H181 N182L133-N159 PolarHBondContact O-ND2 3.21Å; N136-N159 WeakPolarHBondContact CA-OD1 3.41Å; N136-N159 WeakPolarHBondContact CB-OD1 3.41Å; N136-N159 PolarHBondContact O-OD1 3.17Å; K137-N159 PolarHBondContact N-OD1 3.47Å; I138-N159 HydrophobicContact CB-CB 4.32Å; I138-N159 WeakPolarHBondContact CB-OD1 3.33Å; I138-N159 WeakPolarHBondContact CG1-OD1 3.48Å; I138-N159 PolarHBondContact N-OD1 2.87Å; C156-N159 PolarHBondContact O-ND2 3.08Å; S157-N159 PolarHBondContact O-ND2 3.27Å; N159-L161 HydrophobicContact CB-CG 4.35Å; N159-H181 PolarHBondContact N-O 2.8Å; N159-N182 VanDerWaalsContact CA-OD1 3.3Å; N159-N182 WeakPolarHBondContact CA-OD1 3.22Å; N159-N182 WeakPolarHBondContact CB-OD1 3.23Å; N159-N182 PolarHBondContact N-OD1 2.99Å; N159-N182 PolarHBondContact O-OD1 3.43Å
160H98.3Very high98.3Very high81 Ų8136.6 Ų36.638%0.37520%0.195SC..  trans-117.130.7178.7-57.8-59.1000111.8I138 Q139 R162 N182 E183I138-H160 CarbonylContact O-C 3.22Å; I138-H160 VanDerWaalsContact O-CA 3.32Å; I138-H160 WeakPolarHBondContact O-CA 3.42Å; I138-H160 PolarHBondContact O-N 2.91Å; Q139-H160 WeakPolarHBondContact CA-O 3.5Å; Q139-H160 HydrophobicContact CG-CB 4.25Å; H160-R162 PolarHBondContact O-N 3.38Å; H160-N182 PolarHBondContact N-OD1 2.82Å; H160-E183 IonicContact ND1-OE1 3.18Å
161L98.5Very high98.3Very high1 Ų134.1 Ų34.11%0.00518%0.178CC..  trans-63.4122-177.6-64.4176000110.1I138 Q139 L141 C156 N159 F179 N182 E183 L184I138-L161 HydrophobicContact CB-CD2 4.46Å; I138-L161 HydrophobicContact CG2-CD2 3.79Å; I138-L161 PolarHBondContact O-N 3.37Å; Q139-L161 WeakPolarHBondContact O-CA 3.42Å; L141-L161 HydrophobicContact CG-CD2 4.09Å; C156-L161 HydrophobicContact CB-CD1 3.9Å; N159-L161 HydrophobicContact CB-CG 4.35Å; L161-F179 HydrophobicContact CD1-CD1 3.61Å; L161-F179 HydrophobicContact CD1-CE1 3.78Å; L161-N182 HydrophobicContact CB-CB 4.1Å; L161-N182 VanDerWaalsContact CB-OD1 3.27Å; L161-N182 WeakPolarHBondContact CB-OD1 3.15Å; L161-N182 WeakPolarHBondContact CG-OD1 3.11Å; L161-N182 PolarHBondContact N-OD1 2.8Å; L161-E183 CarbonylContact O-C 3.12Å; L161-E183 VanDerWaalsContact O-CA 3.28Å; L161-E183 WeakPolarHBondContact O-CA 3.47Å; L161-E183 PolarHBondContact O-N 3.46Å; L161-L184 HydrophobicContact CB-CD2 3.95Å; L161-L184 PolarHBondContact O-N 2.78Å; L161-L184 VanDerWaalsContact O-N 3.12Å
162R97.6Very high98.2Very high158 Ų15837.1 Ų37.160%0.59620%0.197SC*.SBendtrans-91.3-22.7176.6-63.3-177177.3-157.1-2113.5Q139 H160 E183 L185Q139-R162 PolarHBondContact O-N 3.19Å; H160-R162 PolarHBondContact O-N 3.38Å; R162-E183 HydrophobicContact CG-CB 4.38Å; R162-L185 PolarHBondContact O-N 3.38Å
163S97.3Very high98.2Very high68 Ų6838.1 Ų38.148%0.47620%0.199SC..  trans-150.5154.7175.961.80000110.2L184S163-L184 VanDerWaalsContact CA-CD2 3.48Å
164A96.1Very high98.2Very high9 Ų937.5 Ų37.57%0.07420%0.196CC..  trans-94.6133.8163.800000108.8F179 P188A164-F179 HydrophobicContact CB-CD2 4.43Å; A164-F179 HydrophobicContact CB-CE2 3.77Å; A164-F179 HydrophobicContact CB-CZ 4.09Å; A164-P188 HydrophobicContact CB-CG 4.29Å
165P97.5Very high98.2Very high20 Ų2039 Ų3913%0.1321%0.206CC..  trans-66.4141.7-179.527.8-34.7000110.6L141 I145 A167 I168L141-P165 HydrophobicContact CB-CG 3.93Å; I145-P165 HydrophobicContact CG2-CG 3.76Å; P165-A167 PolarHBondContact O-N 2.92Å; P165-A167 VanDerWaalsContact O-N 3.15Å; P165-I168 WeakPolarHBondContact O-CB 3.32Å; P165-I168 WeakPolarHBondContact O-CG2 3.24Å; P165-I168 PolarHBondContact O-N 3.07Å
166S98Very high98.2Very high88 Ų8840.8 Ų40.862%0.61521%0.214SC*.G310 helixtrans-59.1-28.1177.258.40000113I168 G169 S190S166-I168 PolarHBondContact O-N 3.04Å; S166-I168 VanDerWaalsContact O-N 3.07Å; S166-G169 PolarHBondContact O-N 2.78Å; S166-S190 WeakPolarHBondContact CA-OG 3.49Å; S166-S190 WeakPolarHBondContact O-CB 3.08Å; S166-S190 PolarHBondContact O-OG 3.16Å
167A98.3Very high98.2Very high12 Ų1240.8 Ų40.810%0.09921%0.214CC..G310 helixtrans-61.4-13.4174.500000114S143 G146 P165 G169 D170S143-A167 WeakPolarHBondContact O-CB 3.17Å; G146-A167 WeakPolarHBondContact CA-O 3.42Å; P165-A167 PolarHBondContact O-N 2.92Å; P165-A167 VanDerWaalsContact O-N 3.15Å; A167-G169 PolarHBondContact O-N 2.91Å; A167-G169 VanDerWaalsContact O-N 3.17Å; A167-D170 WeakPolarHBondContact O-CB 3.43Å; A167-D170 PolarHBondContact O-N 2.84Å
168I98.2Very high98.2Very high1 Ų141.7 Ų41.71%0.00522%0.219CC..G310 helixtrans-57.6-30.2175.1-164.458.8000112.4L154 P165 S166 D170 C171 L174 L177 P188L154-I168 HydrophobicContact CD2-CD1 3.68Å; P165-I168 WeakPolarHBondContact O-CB 3.32Å; P165-I168 WeakPolarHBondContact O-CG2 3.24Å; P165-I168 PolarHBondContact O-N 3.07Å; S166-I168 PolarHBondContact O-N 3.04Å; S166-I168 VanDerWaalsContact O-N 3.07Å; I168-D170 PolarHBondContact O-N 3.49Å; I168-C171 WeakPolarHBondContact O-CB 3.23Å; I168-C171 PolarHBondContact O-N 3.29Å; I168-L174 HydrophobicContact CD1-CD1 3.85Å; I168-L174 HydrophobicContact CG1-CD1 4.23Å; I168-L177 HydrophobicContact CD1-CD1 4.29Å; I168-L177 HydrophobicContact CG1-CD1 4.44Å; I168-L177 HydrophobicContact CG1-CD2 4.13Å; I168-P188 HydrophobicContact CG2-CG 3.95Å
169G98.2Very high98.2Very high0 Ų037.5 Ų37.50%020%0.202CC..G310 helixtrans-68.5-12176.800000114.3S166 A167 C171 S190 K193S166-G169 PolarHBondContact O-N 2.78Å; A167-G169 PolarHBondContact O-N 2.91Å; A167-G169 VanDerWaalsContact O-N 3.17Å; G169-C171 VanDerWaalsContact C-N 3.34Å; G169-S190 VanDerWaalsContact CA-O 3.28Å; G169-S190 WeakPolarHBondContact CA-O 3.3Å; G169-K193 WeakPolarHBondContact O-CB 3.21Å; G169-K193 VanDerWaalsContact O-CD 3.3Å; G169-K193 WeakPolarHBondContact O-CD 3.14Å
170D98.4Very high98.2Very high76 Ų7638.3 Ų38.341%0.40621%0.206SC..G310 helixtrans-86.2-11.1176.8-56-29.7000111.8A167 I168 T172 K193A167-D170 WeakPolarHBondContact O-CB 3.43Å; A167-D170 PolarHBondContact O-N 2.84Å; I168-D170 PolarHBondContact O-N 3.49Å; D170-T172 PolarHBondContact O-N 3.29Å; D170-K193 IonicContact OD1-NZ 2.85Å; D170-K193 PolarHBondContact OD1-NZ 2.99Å
171C98.5Very high98.2Very high0 Ų036.9 Ų36.90%020%0.199CC..  trans-80.160.9169.8-59.60000111.3I145 I168 G169 E173 L174 L194I145-C171 PolarHBondContact O-SG 2.81Å; I168-C171 WeakPolarHBondContact O-CB 3.23Å; I168-C171 PolarHBondContact O-N 3.29Å; G169-C171 VanDerWaalsContact C-N 3.34Å; C171-E173 PolarHBondContact O-N 2.66Å; C171-L174 HydrophobicContact CB-CD1 3.54Å; C171-L174 HydrophobicContact CB-CG 3.78Å; C171-L174 WeakPolarHBondContact O-CB 3.46Å; C171-L174 WeakPolarHBondContact O-CG 3.47Å; C171-L174 PolarHBondContact O-N 2.95Å; C171-L194 VanDerWaalsContact O-CD2 3.28Å; C171-L194 WeakPolarHBondContact O-CD2 3.32Å
172T98.1Very high98.2Very high64 Ų6437.3 Ų37.339%0.39320%0.202SC..THydrogen-bonded Turntrans-63.1-15.9-16855.20000115.5D170 L174 N196D170-T172 PolarHBondContact O-N 3.29Å; T172-L174 VanDerWaalsContact C-N 3.31Å; T172-N196 PolarHBondContact O-ND2 2.85Å
173E98.4Very high98.3Very high88 Ų8832.2 Ų32.241%0.41119%0.185SC..THydrogen-bonded Turntrans-83.6-4176.3-62.2-55.7125.200113.5S149 L151 L152 C171 S175S149-E173 WeakPolarHBondContact O-CG 3.48Å; L151-E173 CarbonylContact O-C 3.17Å; L151-E173 VanDerWaalsContact O-C 3.25Å; L152-E173 HydrophobicContact CD2-CB 3.9Å; L152-E173 WeakPolarHBondContact CD2-O 3.3Å; C171-E173 PolarHBondContact O-N 2.66Å; E173-S175 PolarHBondContact O-N 3.3Å
174L98.7Very high98.3Very high0 Ų029 Ų290%016%0.162CC..  trans-58.5125.2-179.7-82.2172.7000111.5L151 L154 I168 C171 T172 L177 L194 N196 L197L151-L174 HydrophobicContact CB-CD2 4.41Å; L151-L174 HydrophobicContact CD2-CD2 4.04Å; L151-L174 HydrophobicContact CG-CD2 3.9Å; L151-L174 WeakPolarHBondContact O-CA 3.2Å; L151-L174 PolarHBondContact O-N 3.21Å; L151-L174 VanDerWaalsContact O-N 3.11Å; L154-L174 HydrophobicContact CB-CD2 4.04Å; I168-L174 HydrophobicContact CD1-CD1 3.85Å; I168-L174 HydrophobicContact CG1-CD1 4.23Å; C171-L174 HydrophobicContact CB-CD1 3.54Å; C171-L174 HydrophobicContact CB-CG 3.78Å; C171-L174 WeakPolarHBondContact O-CB 3.46Å; C171-L174 WeakPolarHBondContact O-CG 3.47Å; C171-L174 PolarHBondContact O-N 2.95Å; T172-L174 VanDerWaalsContact C-N 3.31Å; L174-L177 HydrophobicContact CD1-CD1 4.45Å; L174-L194 HydrophobicContact CB-CD1 4.23Å; L174-L194 HydrophobicContact CB-CD2 4.34Å; L174-L194 HydrophobicContact CD1-CD1 3.86Å; L174-L194 HydrophobicContact CD1-CD2 4.32Å; L174-N196 CarbonylContact O-C 3.22Å; L174-N196 VanDerWaalsContact O-C 3.27Å; L174-N196 WeakPolarHBondContact O-CB 3.41Å; L174-L197 HydrophobicContact CB-CD1 4.46Å; L174-L197 PolarHBondContact O-N 3.37Å
175S98.6Very high98.4Very high32 Ų3233.8 Ų33.822%0.22419%0.186CC..SBendtrans-109.4-28.6172.262.50000112.1L152 E173 N196 T198 R199L152-S175 PolarHBondContact O-N 3.45Å; L152-S175 PolarHBondContact O-OG 3.12Å; E173-S175 PolarHBondContact O-N 3.3Å; S175-N196 WeakPolarHBondContact CA-O 3.26Å; S175-T198 PolarHBondContact O-N 3.37Å; S175-T198 PolarHBondContact O-OG1 3.43Å; S175-R199 PolarHBondContact O-N 3.12Å; S175-R199 VanDerWaalsContact O-N 3.11Å
176Q98.7Very high98.3Very high58 Ų5833.9 Ų33.927%0.27119%0.191SC..EExtended strand (participates in β ladder)trans-132.2123.5177.1-53.6-173.51000110.5L152 V153 L154 R199L152-Q176 PolarHBondContact O-N 3.27Å; L152-Q176 VanDerWaalsContact O-N 3.09Å; V153-Q176 WeakPolarHBondContact CA-O 3.49Å; V153-Q176 HydrophobicContact CB-CB 4.42Å; V153-Q176 HydrophobicContact CG1-CB 4.08Å; V153-Q176 HydrophobicContact CG2-CB 4.09Å; V153-Q176 HydrophobicContact CG2-CG 4.22Å; L154-Q176 PolarHBondContact N-O 2.88Å; Q176-R199 WeakPolarHBondContact CA-O 3.35Å; Q176-R199 HydrophobicContact CB-CB 4.34Å; Q176-R199 HydrophobicContact CG-CB 4.12Å; Q176-R199 HydrophobicContact CG-CG 4.37Å
177L98.7Very high98.3Very high1 Ų130.5 Ų30.51%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-131115.7177-178.459.9000109L154 I168 L174 F179 I191 L194 L197 R199 L200 G201L154-L177 HydrophobicContact CB-CD1 3.85Å; L154-L177 HydrophobicContact CD2-CD1 3.75Å; L154-L177 HydrophobicContact CG-CD1 4.01Å; L154-L177 WeakPolarHBondContact O-CA 3.39Å; I168-L177 HydrophobicContact CD1-CD1 4.29Å; I168-L177 HydrophobicContact CG1-CD1 4.44Å; I168-L177 HydrophobicContact CG1-CD2 4.13Å; L174-L177 HydrophobicContact CD1-CD1 4.45Å; L177-F179 HydrophobicContact CD1-CD2 4.28Å; L177-F179 HydrophobicContact CD1-CE1 4.25Å; L177-F179 HydrophobicContact CD1-CE2 3.65Å; L177-F179 HydrophobicContact CD1-CZ 3.63Å; L177-F179 HydrophobicContact CD2-CD2 4.32Å; L177-F179 HydrophobicContact CD2-CE2 3.76Å; L177-F179 HydrophobicContact CD2-CZ 4.48Å; L177-F179 HydrophobicContact CG-CD2 4.07Å; L177-F179 HydrophobicContact CG-CE2 3.75Å; L177-F179 HydrophobicContact CG-CZ 4.26Å; L177-I191 HydrophobicContact CD2-CD1 3.62Å; L177-L194 HydrophobicContact CD2-CD1 4.03Å; L177-L197 HydrophobicContact CB-CD1 3.74Å; L177-R199 PolarHBondContact N-O 2.71Å; L177-L200 HydrophobicContact CB-CD1 4.26Å; L177-L200 HydrophobicContact CD2-CD1 4.21Å; L177-L200 HydrophobicContact CG-CD1 4.28Å; L177-L200 CarbonylContact O-C 3.32Å; L177-L200 VanDerWaalsContact O-CA 3.3Å; L177-L200 WeakPolarHBondContact O-CA 3.23Å; L177-G201 PolarHBondContact O-N 2.89Å
178D98.7Very high98.3Very high21 Ų2131.1 Ų31.111%0.11217%0.168CC..EExtended strand (participates in β ladder)trans-120.8113.4-176.8-177.518.6000111.6L154 L155 C156 S157 Q180L154-D178 PolarHBondContact O-N 3.36Å; L155-D178 HydrophobicContact CD2-CB 3.72Å; C156-D178 CarbonylContact C-O 3.27Å; C156-D178 WeakPolarHBondContact CA-O 3.49Å; C156-D178 PolarHBondContact N-O 3.34Å; S157-D178 VanDerWaalsContact CB-OD2 3.24Å; S157-D178 WeakPolarHBondContact CB-OD2 3.41Å; S157-D178 PolarHBondContact N-O 2.85Å; S157-D178 PolarHBondContact OG-OD2 2.97Å; D178-Q180 WeakPolarHBondContact OD1-CG 3.49Å; D178-Q180 PolarHBondContact OD1-N 3.12Å
179F98.6Very high98.3Very high2 Ų236.5 Ų36.51%0.00920%0.197CC..  trans-12015.8174.9-66.9-49.9000113L141 L154 C156 L161 A164 L177 N182 L184 G201 L202 N205L141-F179 HydrophobicContact CD1-CE1 3.87Å; L141-F179 HydrophobicContact CD1-CZ 4.19Å; L154-F179 HydrophobicContact CD2-CZ 4.43Å; C156-F179 HydrophobicContact CB-CD1 3.68Å; C156-F179 HydrophobicContact CB-CE1 3.79Å; L161-F179 HydrophobicContact CD1-CD1 3.61Å; L161-F179 HydrophobicContact CD1-CE1 3.78Å; A164-F179 HydrophobicContact CB-CD2 4.43Å; A164-F179 HydrophobicContact CB-CE2 3.77Å; A164-F179 HydrophobicContact CB-CZ 4.09Å; L177-F179 HydrophobicContact CD1-CD2 4.28Å; L177-F179 HydrophobicContact CD1-CE1 4.25Å; L177-F179 HydrophobicContact CD1-CE2 3.65Å; L177-F179 HydrophobicContact CD1-CZ 3.63Å; L177-F179 HydrophobicContact CD2-CD2 4.32Å; L177-F179 HydrophobicContact CD2-CE2 3.76Å; L177-F179 HydrophobicContact CD2-CZ 4.48Å; L177-F179 HydrophobicContact CG-CD2 4.07Å; L177-F179 HydrophobicContact CG-CE2 3.75Å; L177-F179 HydrophobicContact CG-CZ 4.26Å; F179-N182 WeakPolarHBondContact O-CB 3.5Å; F179-N182 PolarHBondContact O-ND2 2.83Å; F179-L184 HydrophobicContact CB-CD1 3.57Å; F179-L184 HydrophobicContact CD2-CD1 4.15Å; F179-L184 HydrophobicContact CG-CD1 3.99Å; F179-G201 CarbonylContact C-O 3.21Å; F179-G201 WeakPolarHBondContact CA-O 3.12Å; F179-G201 PolarHBondContact N-O 3.14Å; F179-L202 HydrophobicContact CB-CD2 4.45Å; F179-N205 PolarHBondContact O-ND2 3.35Å
180Q98.5Very high98.3Very high24 Ų2437.4 Ų37.411%0.11220%0.203CC..  trans-60.1156.2-179.472-178.229.400112.4S157 Y158 D178 N182 G201 R203S157-Q180 CarbonylContact C-O 3.16Å; S157-Q180 WeakPolarHBondContact CA-O 3.46Å; S157-Q180 WeakPolarHBondContact CB-O 3.49Å; Y158-Q180 PolarHBondContact N-O 2.9Å; Y158-Q180 VanDerWaalsContact N-O 3.07Å; D178-Q180 WeakPolarHBondContact OD1-CG 3.49Å; D178-Q180 PolarHBondContact OD1-N 3.12Å; Q180-N182 PolarHBondContact O-ND2 3.36Å; Q180-G201 PolarHBondContact N-O 2.93Å; Q180-G201 VanDerWaalsContact N-O 3.17Å; Q180-R203 CarbonylContact C-O 3.16Å; Q180-R203 WeakPolarHBondContact CA-O 3.23Å; Q180-R203 HydrophobicContact CB-CG 3.6Å; Q180-R203 WeakPolarHBondContact CB-O 3.46Å; Q180-R203 HydrophobicContact CG-CG 4.48Å; Q180-R203 VanDerWaalsContact OE1-CZ 3.24Å
181H98.7Very high98.3Very high51 Ų5133.9 Ų33.924%0.23618%0.184CC..SBendtrans54.157.6-179.5-64.7-80.5000112.3Y158 N159 R203 Y204Y158-H181 WeakPolarHBondContact CA-O 3.27Å; Y158-H181 HydrophobicContact CD1-CB 3.55Å; Y158-H181 AromaticContact CD1-CG 3.79Å; Y158-H181 HydrophobicContact CD2-CB 4.33Å; Y158-H181 HydrophobicContact CE1-CB 3.7Å; Y158-H181 AromaticContact CE1-CD2 3.42Å; Y158-H181 VanDerWaalsContact CE1-CD2 3.42Å; Y158-H181 WeakPolarHBondContact CE1-CD2 3.19Å; Y158-H181 AromaticContact CE1-CG 3.36Å; Y158-H181 AromaticContact CE1-ND1 3.78Å; Y158-H181 AromaticContact CE1-NE2 3.87Å; Y158-H181 HydrophobicContact CE2-CB 4.47Å; Y158-H181 AromaticContact CE2-CD2 3.76Å; Y158-H181 HydrophobicContact CG-CB 3.89Å; Y158-H181 AromaticContact CZ-CD2 3.18Å; Y158-H181 AromaticContact CZ-CG 3.67Å; Y158-H181 AromaticContact CZ-NE2 3.63Å; Y158-H181 PolarHBondContact N-O 3.3Å; Y158-H181 PolarHBondContact OH-CD2 3.01Å; Y158-H181 PolarHBondContact OH-NE2 2.95Å; Y158-H181 VanDerWaalsContact OH-NE2 3.14Å; N159-H181 PolarHBondContact N-O 2.8Å; H181-R203 PolarHBondContact N-O 2.68Å; H181-Y204 WeakPolarHBondContact CA-O 3.42Å; H181-Y204 AromaticContact CE1-CD2 3.23Å; H181-Y204 WeakPolarHBondContact CE1-CD2 3.4Å; H181-Y204 AromaticContact CE1-CG 3.37Å; H181-Y204 PolarHBondContact N-O 3.48Å; H181-Y204 VanDerWaalsContact ND1-CB 3.34Å; H181-Y204 WeakPolarHBondContact ND1-CB 3.25Å; H181-Y204 AromaticContact ND1-CD2 3.99Å; H181-Y204 AromaticContact ND1-CG 3.73Å; H181-Y204 AromaticContact NE2-CD2 3.43Å; H181-Y204 WeakPolarHBondContact NE2-CD2 2.98Å; H181-Y204 AromaticContact NE2-CG 3.98Å
182N98.7Very high98.3Very high11 Ų1134 Ų346%0.05919%0.186CC..SBendtrans-132.9-163.2174-85.5-79.3000109.2C156 N159 H160 L161 F179 Q180 L184 Y204 N205C156-N182 PolarHBondContact O-ND2 2.89Å; N159-N182 VanDerWaalsContact CA-OD1 3.3Å; N159-N182 WeakPolarHBondContact CA-OD1 3.22Å; N159-N182 WeakPolarHBondContact CB-OD1 3.23Å; N159-N182 PolarHBondContact N-OD1 2.99Å; N159-N182 PolarHBondContact O-OD1 3.43Å; H160-N182 PolarHBondContact N-OD1 2.82Å; L161-N182 HydrophobicContact CB-CB 4.1Å; L161-N182 VanDerWaalsContact CB-OD1 3.27Å; L161-N182 WeakPolarHBondContact CB-OD1 3.15Å; L161-N182 WeakPolarHBondContact CG-OD1 3.11Å; L161-N182 PolarHBondContact N-OD1 2.8Å; F179-N182 WeakPolarHBondContact O-CB 3.5Å; F179-N182 PolarHBondContact O-ND2 2.83Å; Q180-N182 PolarHBondContact O-ND2 3.36Å; N182-L184 HydrophobicContact CB-CG 4.29Å; N182-Y204 PolarHBondContact N-O 3.27Å; N182-N205 WeakPolarHBondContact CA-OD1 3.2Å; N182-N205 WeakPolarHBondContact CB-OD1 3.17Å; N182-N205 PolarHBondContact N-OD1 2.95Å; N182-N205 PolarHBondContact O-OD1 2.92Å
183E98.4Very high98.4Very high51 Ų5135.7 Ų35.724%0.23819%0.188CC..  trans-119.529.7179.8-59.5-172.7-140.700111.9H160 L161 R162 L185 N205 K206H160-E183 IonicContact ND1-OE1 3.18Å; L161-E183 CarbonylContact O-C 3.12Å; L161-E183 VanDerWaalsContact O-CA 3.28Å; L161-E183 WeakPolarHBondContact O-CA 3.47Å; L161-E183 PolarHBondContact O-N 3.46Å; R162-E183 HydrophobicContact CG-CB 4.38Å; E183-L185 PolarHBondContact O-N 3.47Å; E183-N205 PolarHBondContact N-OD1 3.38Å; E183-K206 HydrophobicContact CB-CD 4.31Å; E183-K206 IonicContact OE2-NZ 3.42Å; E183-K206 PolarHBondContact OE2-NZ 3.31Å
184L98.4Very high98.4Very high0 Ų031.5 Ų31.50%017%0.168CC..  trans-64.3127.9-175.2-63.7179.9000110.8L161 S163 F179 N182 I187 N205 K206 L207L161-L184 HydrophobicContact CB-CD2 3.95Å; L161-L184 PolarHBondContact O-N 2.78Å; L161-L184 VanDerWaalsContact O-N 3.12Å; S163-L184 VanDerWaalsContact CA-CD2 3.48Å; F179-L184 HydrophobicContact CB-CD1 3.57Å; F179-L184 HydrophobicContact CD2-CD1 4.15Å; F179-L184 HydrophobicContact CG-CD1 3.99Å; N182-L184 HydrophobicContact CB-CG 4.29Å; L184-I187 HydrophobicContact CD1-CD1 3.79Å; L184-N205 HydrophobicContact CB-CB 4.18Å; L184-N205 VanDerWaalsContact CB-OD1 3.3Å; L184-N205 WeakPolarHBondContact CB-OD1 3.07Å; L184-N205 WeakPolarHBondContact CG-OD1 3.28Å; L184-N205 PolarHBondContact N-OD1 3.17Å; L184-K206 CarbonylContact O-C 3.45Å; L184-K206 VanDerWaalsContact O-CA 3.27Å; L184-K206 WeakPolarHBondContact O-CA 3.5Å; L184-K206 PolarHBondContact O-N 3.22Å; L184-L207 HydrophobicContact CB-CD2 3.87Å; L184-L207 PolarHBondContact O-N 3.06Å; L184-L207 VanDerWaalsContact O-N 3.13Å
185L97.3Very high98.3Very high109 Ų10936.5 Ų36.557%0.57119%0.192SC*.SBendtrans-86.2-23.1174.5-62.1174.6000113R162 E183 K206 T208R162-L185 PolarHBondContact O-N 3.38Å; E183-L185 PolarHBondContact O-N 3.47Å; L185-K206 HydrophobicContact CD2-CB 3.99Å; L185-T208 PolarHBondContact O-N 2.9Å
186G96.9Very high98.3Very high23 Ų2337.3 Ų37.324%0.23719%0.193CC..  trans-169.4173.2-17900000111.6
187I97.9Very high98.3Very high17 Ų1734.5 Ų34.59%0.08718%0.18CC..  trans-116.4134.9176.8-59.1-59.9000108.5L184 I191 L202 L207 I210 P211L184-I187 HydrophobicContact CD1-CD1 3.79Å; I187-I191 HydrophobicContact CG2-CB 3.8Å; I187-I191 HydrophobicContact CG2-CD1 4.24Å; I187-I191 HydrophobicContact CG2-CG1 3.97Å; I187-I191 HydrophobicContact CG2-CG2 3.88Å; I187-L202 HydrophobicContact CD1-CD2 3.5Å; I187-L202 VanDerWaalsContact CD1-CD2 3.5Å; I187-L202 HydrophobicContact CG1-CD1 4.24Å; I187-L202 HydrophobicContact CG1-CD2 4.02Å; I187-L207 HydrophobicContact CD1-CD2 4.19Å; I187-L207 HydrophobicContact CG1-CD2 4.05Å; I187-I210 HydrophobicContact CG1-CD1 4.47Å; I187-P211 HydrophobicContact CB-CG 4.25Å; I187-P211 HydrophobicContact CG2-CG 4.22Å; I187-P211 WeakPolarHBondContact O-CG 3.05Å
188P98Very high98.3Very high24 Ų2436.3 Ų36.316%0.15619%0.192CC..  trans-67.3146.4-178.128.2-36.3000112A164 I168 S190 I191A164-P188 HydrophobicContact CB-CG 4.29Å; I168-P188 HydrophobicContact CG2-CG 3.95Å; P188-S190 PolarHBondContact O-N 2.96Å; P188-I191 WeakPolarHBondContact O-CB 3.37Å; P188-I191 VanDerWaalsContact O-CG2 3.29Å; P188-I191 WeakPolarHBondContact O-CG2 3.1Å; P188-I191 PolarHBondContact O-N 2.61Å
189D98.5Very high98.2Very high115 Ų11542.5 Ų42.562%0.61521%0.213SC*.G310 helixtrans-56.2-24.9177.4-73.5-30.5000113.6I191 G192 P211 S213D189-I191 PolarHBondContact O-N 2.93Å; D189-I191 VanDerWaalsContact O-N 3.13Å; D189-G192 PolarHBondContact O-N 3.23Å; D189-P211 WeakPolarHBondContact OD1-CB 3.31Å; D189-S213 WeakPolarHBondContact CA-OG 3.32Å; D189-S213 VanDerWaalsContact O-CB 3.23Å; D189-S213 WeakPolarHBondContact O-CB 3.38Å; D189-S213 PolarHBondContact O-OG 3.18Å
190S98.5Very high98.2Very high18 Ų1843.1 Ų43.113%0.12622%0.217CC..G310 helixtrans-64.5-13.7177.1610000113.7S166 G169 P188 G192 K193S166-S190 WeakPolarHBondContact CA-OG 3.49Å; S166-S190 WeakPolarHBondContact O-CB 3.08Å; S166-S190 PolarHBondContact O-OG 3.16Å; G169-S190 VanDerWaalsContact CA-O 3.28Å; G169-S190 WeakPolarHBondContact CA-O 3.3Å; P188-S190 PolarHBondContact O-N 2.96Å; S190-G192 PolarHBondContact O-N 3.44Å; S190-G192 VanDerWaalsContact O-N 3.15Å; S190-K193 WeakPolarHBondContact O-CB 3.31Å; S190-K193 WeakPolarHBondContact O-CG 3.2Å; S190-K193 PolarHBondContact O-N 2.92Å
191I98.4Very high98.2Very high2 Ų242.7 Ų42.71%0.0122%0.219CC..G310 helixtrans-54.5-31.9173.7-163.773.8000111.9L177 I187 P188 D189 K193 L194 P211 L214 C217L177-I191 HydrophobicContact CD2-CD1 3.62Å; I187-I191 HydrophobicContact CG2-CB 3.8Å; I187-I191 HydrophobicContact CG2-CD1 4.24Å; I187-I191 HydrophobicContact CG2-CG1 3.97Å; I187-I191 HydrophobicContact CG2-CG2 3.88Å; P188-I191 WeakPolarHBondContact O-CB 3.37Å; P188-I191 VanDerWaalsContact O-CG2 3.29Å; P188-I191 WeakPolarHBondContact O-CG2 3.1Å; P188-I191 PolarHBondContact O-N 2.61Å; D189-I191 PolarHBondContact O-N 2.93Å; D189-I191 VanDerWaalsContact O-N 3.13Å; I191-K193 PolarHBondContact O-N 3.41Å; I191-K193 VanDerWaalsContact O-N 3.07Å; I191-L194 HydrophobicContact CD1-CD1 3.65Å; I191-L194 HydrophobicContact CD1-CG 4.47Å; I191-L194 WeakPolarHBondContact O-CB 3.21Å; I191-L194 WeakPolarHBondContact O-CG 3.26Å; I191-L194 PolarHBondContact O-N 3.16Å; I191-P211 HydrophobicContact CG2-CG 3.57Å; I191-L214 HydrophobicContact CG1-CD1 4.16Å; I191-L214 HydrophobicContact CG2-CB 4.31Å; I191-L214 HydrophobicContact CG2-CD1 4.31Å; I191-C217 PolarHBondContact O-SG 2.86Å
192G98.3Very high98.2Very high4 Ų440.4 Ų40.44%0.04121%0.208CC..G310 helixtrans-67.5-3.7177.500000115.2D189 S190 S213 N216D189-G192 PolarHBondContact O-N 3.23Å; S190-G192 PolarHBondContact O-N 3.44Å; S190-G192 VanDerWaalsContact O-N 3.15Å; G192-S213 WeakPolarHBondContact CA-O 3.39Å; G192-N216 WeakPolarHBondContact O-CB 3.5Å; G192-N216 PolarHBondContact O-ND2 3.07Å
193K98.6Very high98.2Very high98 Ų9843.9 Ų43.943%0.42622%0.221SC..G310 helixtrans-82.7-13.1169.6-62.9-178.9-177.8-176.90112.8G169 D170 S190 I191 H195G169-K193 WeakPolarHBondContact O-CB 3.21Å; G169-K193 VanDerWaalsContact O-CD 3.3Å; G169-K193 WeakPolarHBondContact O-CD 3.14Å; D170-K193 IonicContact OD1-NZ 2.85Å; D170-K193 PolarHBondContact OD1-NZ 2.99Å; S190-K193 WeakPolarHBondContact O-CB 3.31Å; S190-K193 WeakPolarHBondContact O-CG 3.2Å; S190-K193 PolarHBondContact O-N 2.92Å; I191-K193 PolarHBondContact O-N 3.41Å; I191-K193 VanDerWaalsContact O-N 3.07Å; K193-H195 VanDerWaalsContact C-N 3.28Å; K193-H195 PolarHBondContact O-CE1 3.32Å; K193-H195 PolarHBondContact O-N 3.13Å; K193-H195 PolarHBondContact O-ND1 3.27Å
194L98.5Very high98.2Very high0 Ų045.3 Ų45.30%023%0.225CC..  trans-85.561.4-175.1-54.7-171.2000111.9C171 L174 L177 I191 N196 L197C171-L194 VanDerWaalsContact O-CD2 3.28Å; C171-L194 WeakPolarHBondContact O-CD2 3.32Å; L174-L194 HydrophobicContact CB-CD1 4.23Å; L174-L194 HydrophobicContact CB-CD2 4.34Å; L174-L194 HydrophobicContact CD1-CD1 3.86Å; L174-L194 HydrophobicContact CD1-CD2 4.32Å; L177-L194 HydrophobicContact CD2-CD1 4.03Å; I191-L194 HydrophobicContact CD1-CD1 3.65Å; I191-L194 HydrophobicContact CD1-CG 4.47Å; I191-L194 WeakPolarHBondContact O-CB 3.21Å; I191-L194 WeakPolarHBondContact O-CG 3.26Å; I191-L194 PolarHBondContact O-N 3.16Å; L194-N196 PolarHBondContact O-N 3.4Å; L194-L197 HydrophobicContact CB-CB 4.15Å; L194-L197 WeakPolarHBondContact O-CB 3.08Å; L194-L197 PolarHBondContact O-N 3.34Å
195H97.8Very high98.2Very high105 Ų10545.8 Ų45.849%0.48623%0.227SC..THydrogen-bonded Turntrans-61.7-15.5-175.7-50.693.2000114.5K193 K219K193-H195 VanDerWaalsContact C-N 3.28Å; K193-H195 PolarHBondContact O-CE1 3.32Å; K193-H195 PolarHBondContact O-N 3.13Å; K193-H195 PolarHBondContact O-ND1 3.27Å; H195-K219 WeakPolarHBondContact O-CD 3.14Å; H195-K219 WeakPolarHBondContact O-CE 3.24Å
196N98.1Very high98.3Very high49 Ų4944.7 Ų44.726%0.26222%0.217SC..THydrogen-bonded Turntrans-89.6-4.1177.5-73.5-39.2000113.9T172 L174 S175 L194 T198 K219T172-N196 PolarHBondContact O-ND2 2.85Å; L174-N196 CarbonylContact O-C 3.22Å; L174-N196 VanDerWaalsContact O-C 3.27Å; L174-N196 WeakPolarHBondContact O-CB 3.41Å; S175-N196 WeakPolarHBondContact CA-O 3.26Å; L194-N196 PolarHBondContact O-N 3.4Å; N196-T198 PolarHBondContact O-N 2.94Å; N196-K219 PolarHBondContact OD1-NZ 3.4Å
197L98.4Very high98.4Very high0 Ų043.6 Ų43.60%021%0.206CC..  trans-68.3117.3-173-160.370.7000111.5L174 L177 L194 L200 C217 K219 L220L174-L197 HydrophobicContact CB-CD1 4.46Å; L174-L197 PolarHBondContact O-N 3.37Å; L177-L197 HydrophobicContact CB-CD1 3.74Å; L194-L197 HydrophobicContact CB-CB 4.15Å; L194-L197 WeakPolarHBondContact O-CB 3.08Å; L194-L197 PolarHBondContact O-N 3.34Å; L197-L200 HydrophobicContact CD2-CB 3.9Å; L197-L200 HydrophobicContact CD2-CD1 4.24Å; L197-L200 HydrophobicContact CD2-CD2 4.08Å; L197-L200 HydrophobicContact CD2-CG 4.29Å; L197-C217 HydrophobicContact CB-CB 4.48Å; L197-K219 CarbonylContact O-C 3.37Å; L197-L220 HydrophobicContact CD2-CD2 4.36Å; L197-L220 HydrophobicContact CG-CD2 4.24Å; L197-L220 PolarHBondContact O-N 3.25Å
198T98.2Very high98.3Very high39 Ų3946.6 Ų46.624%0.23923%0.225CC..  trans-105.6-25.6174.958.50000112.1S175 N196 K219S175-T198 PolarHBondContact O-N 3.37Å; S175-T198 PolarHBondContact O-OG1 3.43Å; N196-T198 PolarHBondContact O-N 2.94Å; T198-K219 HydrophobicContact CG2-CB 4.05Å
199R98.2Very high98.3Very high150 Ų15048.5 Ų48.557%0.56624%0.239SC*.EExtended strand (participates in β ladder)trans-131.3125.3178.5-60.3-176.4179.7176.6-3.5111.5S175 Q176 L177S175-R199 PolarHBondContact O-N 3.12Å; S175-R199 VanDerWaalsContact O-N 3.11Å; Q176-R199 WeakPolarHBondContact CA-O 3.35Å; Q176-R199 HydrophobicContact CB-CB 4.34Å; Q176-R199 HydrophobicContact CG-CB 4.12Å; Q176-R199 HydrophobicContact CG-CG 4.37Å; L177-R199 PolarHBondContact N-O 2.71Å
200L98.5Very high98.3Very high15 Ų1543.3 Ų43.38%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-130.3106.7177.1178.254000109.8L177 L197 L202 L214 L220L177-L200 HydrophobicContact CB-CD1 4.26Å; L177-L200 HydrophobicContact CD2-CD1 4.21Å; L177-L200 HydrophobicContact CG-CD1 4.28Å; L177-L200 CarbonylContact O-C 3.32Å; L177-L200 VanDerWaalsContact O-CA 3.3Å; L177-L200 WeakPolarHBondContact O-CA 3.23Å; L197-L200 HydrophobicContact CD2-CB 3.9Å; L197-L200 HydrophobicContact CD2-CD1 4.24Å; L197-L200 HydrophobicContact CD2-CD2 4.08Å; L197-L200 HydrophobicContact CD2-CG 4.29Å; L200-L202 HydrophobicContact CD1-CD1 4.29Å; L200-L202 HydrophobicContact CD1-CD2 4.07Å; L200-L202 HydrophobicContact CD1-CG 3.99Å; L200-L202 HydrophobicContact CD2-CD1 3.85Å; L200-L202 HydrophobicContact CD2-CG 4.38Å; L200-L202 HydrophobicContact CG-CD1 3.86Å; L200-L202 HydrophobicContact CG-CD2 4.46Å; L200-L202 HydrophobicContact CG-CG 3.84Å; L200-L214 HydrophobicContact CD2-CD1 3.61Å; L200-L214 HydrophobicContact CD2-CD2 4.26Å; L200-L220 HydrophobicContact CB-CD2 3.81Å
201G98.2Very high98.2Very high16 Ų1643 Ų4317%0.16521%0.209CC..EExtended strand (participates in β ladder)trans-90.4112.5178.800000111.7L177 F179 Q180L177-G201 PolarHBondContact O-N 2.89Å; F179-G201 CarbonylContact C-O 3.21Å; F179-G201 WeakPolarHBondContact CA-O 3.12Å; F179-G201 PolarHBondContact N-O 3.14Å; Q180-G201 PolarHBondContact N-O 2.93Å; Q180-G201 VanDerWaalsContact N-O 3.17Å
202L98.5Very high98.2Very high2 Ų247.7 Ų47.71%0.0124%0.238CC..  trans-129.1-5.7-177.2-68.8179.1000114.9F179 I187 L200 N205 L207 I210 I225 N228F179-L202 HydrophobicContact CB-CD2 4.45Å; I187-L202 HydrophobicContact CD1-CD2 3.5Å; I187-L202 VanDerWaalsContact CD1-CD2 3.5Å; I187-L202 HydrophobicContact CG1-CD1 4.24Å; I187-L202 HydrophobicContact CG1-CD2 4.02Å; L200-L202 HydrophobicContact CD1-CD1 4.29Å; L200-L202 HydrophobicContact CD1-CD2 4.07Å; L200-L202 HydrophobicContact CD1-CG 3.99Å; L200-L202 HydrophobicContact CD2-CD1 3.85Å; L200-L202 HydrophobicContact CD2-CG 4.38Å; L200-L202 HydrophobicContact CG-CD1 3.86Å; L200-L202 HydrophobicContact CG-CD2 4.46Å; L200-L202 HydrophobicContact CG-CG 3.84Å; L202-N205 PolarHBondContact O-ND2 3.44Å; L202-L207 HydrophobicContact CB-CD1 4Å; L202-L207 HydrophobicContact CD1-CD1 4.26Å; L202-L207 HydrophobicContact CD2-CD1 4.38Å; L202-L207 HydrophobicContact CG-CD1 4.44Å; L202-I210 HydrophobicContact CD1-CD1 4.03Å; L202-I225 HydrophobicContact CB-CG2 4.21Å; L202-I225 HydrophobicContact CD1-CG2 4.27Å; L202-N228 PolarHBondContact O-ND2 3Å; L202-N228 VanDerWaalsContact O-ND2 3.14Å
203R98.4Very high98.2Very high85 Ų8548.6 Ų48.632%0.32124%0.243SC..  trans-59.1154.2-178.464.2176.7168.6-177.3-8.8113.4Q180 H181 N205 E226Q180-R203 CarbonylContact C-O 3.16Å; Q180-R203 WeakPolarHBondContact CA-O 3.23Å; Q180-R203 HydrophobicContact CB-CG 3.6Å; Q180-R203 WeakPolarHBondContact CB-O 3.46Å; Q180-R203 HydrophobicContact CG-CG 4.48Å; Q180-R203 VanDerWaalsContact OE1-CZ 3.24Å; H181-R203 PolarHBondContact N-O 2.68Å; R203-N205 PolarHBondContact O-ND2 3.44Å; R203-E226 CarbonylContact C-O 3.33Å; R203-E226 WeakPolarHBondContact CA-O 3.13Å; R203-E226 HydrophobicContact CB-CB 4.02Å; R203-E226 VanDerWaalsContact CB-O 3.24Å; R203-E226 WeakPolarHBondContact CB-O 3.42Å
204Y98.7Very high98.2Very high81 Ų8144 Ų4432%0.31822%0.224SC..SBendtrans54.957.4178.2-62-75.9000112H181 N182 E226 G227H181-Y204 WeakPolarHBondContact CA-O 3.42Å; H181-Y204 AromaticContact CE1-CD2 3.23Å; H181-Y204 WeakPolarHBondContact CE1-CD2 3.4Å; H181-Y204 AromaticContact CE1-CG 3.37Å; H181-Y204 PolarHBondContact N-O 3.48Å; H181-Y204 VanDerWaalsContact ND1-CB 3.34Å; H181-Y204 WeakPolarHBondContact ND1-CB 3.25Å; H181-Y204 AromaticContact ND1-CD2 3.99Å; H181-Y204 AromaticContact ND1-CG 3.73Å; H181-Y204 AromaticContact NE2-CD2 3.43Å; H181-Y204 WeakPolarHBondContact NE2-CD2 2.98Å; H181-Y204 AromaticContact NE2-CG 3.98Å; N182-Y204 PolarHBondContact N-O 3.27Å; Y204-E226 HydrophobicContact CE2-CG 4.17Å; Y204-E226 PolarHBondContact N-O 3.28Å; Y204-E226 PolarHBondContact OH-OE1 2.97Å; Y204-G227 WeakPolarHBondContact CA-O 3.33Å; Y204-G227 PolarHBondContact N-O 2.81Å
205N98.7Very high98.2Very high9 Ų944.8 Ų44.85%0.04823%0.23CC..SBendtrans-124.4-161.6172.1-87.4-75.2000108.9F179 N182 E183 L184 L202 R203 L207 G227 N228F179-N205 PolarHBondContact O-ND2 3.35Å; N182-N205 WeakPolarHBondContact CA-OD1 3.2Å; N182-N205 WeakPolarHBondContact CB-OD1 3.17Å; N182-N205 PolarHBondContact N-OD1 2.95Å; N182-N205 PolarHBondContact O-OD1 2.92Å; E183-N205 PolarHBondContact N-OD1 3.38Å; L184-N205 HydrophobicContact CB-CB 4.18Å; L184-N205 VanDerWaalsContact CB-OD1 3.3Å; L184-N205 WeakPolarHBondContact CB-OD1 3.07Å; L184-N205 WeakPolarHBondContact CG-OD1 3.28Å; L184-N205 PolarHBondContact N-OD1 3.17Å; L202-N205 PolarHBondContact O-ND2 3.44Å; R203-N205 PolarHBondContact O-ND2 3.44Å; N205-L207 HydrophobicContact CB-CD1 4.46Å; N205-L207 HydrophobicContact CB-CG 3.98Å; N205-G227 PolarHBondContact N-O 3.48Å; N205-N228 VanDerWaalsContact CA-OD1 3.28Å; N205-N228 WeakPolarHBondContact CA-OD1 3.31Å; N205-N228 WeakPolarHBondContact CB-OD1 3.43Å; N205-N228 PolarHBondContact N-OD1 2.98Å; N205-N228 PolarHBondContact O-OD1 3.18Å
206K98.4Very high98.2Very high86 Ų8643.7 Ų43.737%0.37423%0.228SC..  trans-120.131.8176.2-59.5176.1-176.1168.70110.2E183 L184 L185 T208 N228E183-K206 HydrophobicContact CB-CD 4.31Å; E183-K206 IonicContact OE2-NZ 3.42Å; E183-K206 PolarHBondContact OE2-NZ 3.31Å; L184-K206 CarbonylContact O-C 3.45Å; L184-K206 VanDerWaalsContact O-CA 3.27Å; L184-K206 WeakPolarHBondContact O-CA 3.5Å; L184-K206 PolarHBondContact O-N 3.22Å; L185-K206 HydrophobicContact CD2-CB 3.99Å; K206-T208 PolarHBondContact O-N 3.22Å; K206-N228 PolarHBondContact N-OD1 3.46Å
207L98.6Very high98.2Very high0 Ų041.4 Ų41.40%022%0.215CC..  trans-66132.5-174.1-60.6173.5000109.6L184 I187 L202 N205 I210 N228 N229 M230L184-L207 HydrophobicContact CB-CD2 3.87Å; L184-L207 PolarHBondContact O-N 3.06Å; L184-L207 VanDerWaalsContact O-N 3.13Å; I187-L207 HydrophobicContact CD1-CD2 4.19Å; I187-L207 HydrophobicContact CG1-CD2 4.05Å; L202-L207 HydrophobicContact CB-CD1 4Å; L202-L207 HydrophobicContact CD1-CD1 4.26Å; L202-L207 HydrophobicContact CD2-CD1 4.38Å; L202-L207 HydrophobicContact CG-CD1 4.44Å; N205-L207 HydrophobicContact CB-CD1 4.46Å; N205-L207 HydrophobicContact CB-CG 3.98Å; L207-I210 HydrophobicContact CD1-CD1 4.09Å; L207-N228 HydrophobicContact CB-CB 4.12Å; L207-N228 VanDerWaalsContact CB-OD1 3.23Å; L207-N228 WeakPolarHBondContact CB-OD1 3.49Å; L207-N228 VanDerWaalsContact CG-OD1 3.22Å; L207-N228 WeakPolarHBondContact CG-OD1 3.22Å; L207-N228 PolarHBondContact N-OD1 3.32Å; L207-N229 CarbonylContact O-C 3.16Å; L207-N229 WeakPolarHBondContact O-CA 3.48Å; L207-N229 PolarHBondContact O-N 2.98Å; L207-M230 HydrophobicContact CB-CG 4.43Å; L207-M230 HydrophobicContact CB-SD 4.09Å; L207-M230 PolarHBondContact O-N 3.27Å
208T97.7Very high98.1Very high80 Ų8044.4 Ų44.449%0.49123%0.234SC..  trans-113.8-12.1173.853.40000112.4L185 K206 N229L185-T208 PolarHBondContact O-N 2.9Å; K206-T208 PolarHBondContact O-N 3.22Å; T208-N229 HydrophobicContact CG2-CB 4.09Å
209S97Very high98.1Very high64 Ų6446.8 Ų46.845%0.44824%0.241SC..  trans-152.6158.8176.558.10000111.3M230S209-M230 PolarHBondContact N-SD 2.91Å
210I97.8Very high98.1Very high7 Ų739.7 Ų39.74%0.03621%0.214CC..  trans-122.1135.5171.1-67.7-66.4000106.9I187 L202 L207 L214 F223 I225 M230 L233 P234 L237I187-I210 HydrophobicContact CG1-CD1 4.47Å; L202-I210 HydrophobicContact CD1-CD1 4.03Å; L207-I210 HydrophobicContact CD1-CD1 4.09Å; I210-L214 HydrophobicContact CG2-CB 4.1Å; I210-L214 HydrophobicContact CG2-CD2 3.48Å; I210-L214 VanDerWaalsContact CG2-CD2 3.48Å; I210-L214 HydrophobicContact CG2-CG 4.43Å; I210-F223 HydrophobicContact CG1-CZ 4.4Å; I210-I225 HydrophobicContact CD1-CG2 4.36Å; I210-M230 HydrophobicContact CB-CE 4.25Å; I210-M230 HydrophobicContact CG1-CE 3.57Å; I210-M230 HydrophobicContact CG1-SD 4.23Å; I210-L233 HydrophobicContact CG1-CD2 4.42Å; I210-P234 WeakPolarHBondContact O-CG 3.27Å; I210-L237 HydrophobicContact CG2-CD2 3.77Å
211P98Very high98Very high11 Ų1144.3 Ų44.37%0.07124%0.235CC..  trans-68.3142.5179.428.8-36.7000111.5I187 D189 I191 S213 L214I187-P211 HydrophobicContact CB-CG 4.25Å; I187-P211 HydrophobicContact CG2-CG 4.22Å; I187-P211 WeakPolarHBondContact O-CG 3.05Å; D189-P211 WeakPolarHBondContact OD1-CB 3.31Å; I191-P211 HydrophobicContact CG2-CG 3.57Å; P211-S213 PolarHBondContact O-N 3.21Å; P211-S213 VanDerWaalsContact O-N 3.16Å; P211-L214 WeakPolarHBondContact O-CB 3.33Å; P211-L214 PolarHBondContact O-N 3.45Å; P211-L214 VanDerWaalsContact O-N 3.11Å
212T97.7Very high98Very high101 Ų10147.9 Ų47.962%0.6225%0.248SC*.G310 helixtrans-57.9-29.7176.748.40000112.5L214 A215 P234T212-L214 PolarHBondContact O-N 3.18Å; T212-A215 WeakPolarHBondContact O-CB 3.17Å; T212-A215 PolarHBondContact O-N 3.24Å; T212-A215 VanDerWaalsContact O-N 3.16Å; T212-P234 HydrophobicContact CG2-CB 3.57Å; T212-P234 HydrophobicContact CG2-CG 4.19Å
213S98.3Very high98Very high22 Ų2248 Ų4815%0.15425%0.249CC..G310 helixtrans-64.2-19.3-18066.10000113.5D189 G192 P211 A215 N216D189-S213 WeakPolarHBondContact CA-OG 3.32Å; D189-S213 VanDerWaalsContact O-CB 3.23Å; D189-S213 WeakPolarHBondContact O-CB 3.38Å; D189-S213 PolarHBondContact O-OG 3.18Å; G192-S213 WeakPolarHBondContact CA-O 3.39Å; P211-S213 PolarHBondContact O-N 3.21Å; P211-S213 VanDerWaalsContact O-N 3.16Å; S213-A215 PolarHBondContact O-N 3.19Å; S213-A215 VanDerWaalsContact O-N 3.08Å; S213-N216 WeakPolarHBondContact O-CB 3.32Å; S213-N216 PolarHBondContact O-N 3.46Å
214L98.4Very high98Very high2 Ų244.8 Ų44.81%0.0124%0.237CC..G310 helixtrans-57.6-24.1173.6-175.963.6000112I191 L200 I210 P211 T212 N216 C217 L220 F223 L237I191-L214 HydrophobicContact CG1-CD1 4.16Å; I191-L214 HydrophobicContact CG2-CB 4.31Å; I191-L214 HydrophobicContact CG2-CD1 4.31Å; L200-L214 HydrophobicContact CD2-CD1 3.61Å; L200-L214 HydrophobicContact CD2-CD2 4.26Å; I210-L214 HydrophobicContact CG2-CB 4.1Å; I210-L214 HydrophobicContact CG2-CD2 3.48Å; I210-L214 VanDerWaalsContact CG2-CD2 3.48Å; I210-L214 HydrophobicContact CG2-CG 4.43Å; P211-L214 WeakPolarHBondContact O-CB 3.33Å; P211-L214 PolarHBondContact O-N 3.45Å; P211-L214 VanDerWaalsContact O-N 3.11Å; T212-L214 PolarHBondContact O-N 3.18Å; L214-N216 PolarHBondContact O-N 2.97Å; L214-C217 HydrophobicContact CD1-CB 4.11Å; L214-C217 WeakPolarHBondContact O-CB 3.43Å; L214-C217 PolarHBondContact O-N 3.06Å; L214-L220 HydrophobicContact CD1-CD1 4.15Å; L214-F223 HydrophobicContact CD2-CD2 4.35Å; L214-F223 HydrophobicContact CD2-CE2 3.67Å; L214-F223 HydrophobicContact CD2-CZ 4.48Å; L214-L237 HydrophobicContact CB-CD1 4.03Å; L214-L237 HydrophobicContact CG-CD1 4.36Å
215A97.5Very high98Very high16 Ų1640.9 Ų40.913%0.13222%0.222CC..G310 helixtrans-55.8-18.8172.800000114.2T212 S213 C217 L237 R240T212-A215 WeakPolarHBondContact O-CB 3.17Å; T212-A215 PolarHBondContact O-N 3.24Å; T212-A215 VanDerWaalsContact O-N 3.16Å; S213-A215 PolarHBondContact O-N 3.19Å; S213-A215 VanDerWaalsContact O-N 3.08Å; A215-C217 VanDerWaalsContact C-N 3.34Å; A215-L237 HydrophobicContact CB-CD1 3.97Å; A215-R240 HydrophobicContact CB-CB 3.77Å; A215-R240 HydrophobicContact CB-CG 3.97Å
216N98.1Very high98Very high83 Ų8341.9 Ų41.944%0.44423%0.227SC..G310 helixtrans-79.9-13.5176.2-65.2-13.2000113.4G192 S213 L214 T218G192-N216 WeakPolarHBondContact O-CB 3.5Å; G192-N216 PolarHBondContact O-ND2 3.07Å; S213-N216 WeakPolarHBondContact O-CB 3.32Å; S213-N216 PolarHBondContact O-N 3.46Å; L214-N216 PolarHBondContact O-N 2.97Å; N216-T218 PolarHBondContact O-N 2.91Å
217C98.1Very high98Very high0 Ų038.6 Ų38.60%022%0.217CC..  trans-82.957.4178.6-61.50000111I191 L197 L214 A215 K219 L220 L241I191-C217 PolarHBondContact O-SG 2.86Å; L197-C217 HydrophobicContact CB-CB 4.48Å; L214-C217 HydrophobicContact CD1-CB 4.11Å; L214-C217 WeakPolarHBondContact O-CB 3.43Å; L214-C217 PolarHBondContact O-N 3.06Å; A215-C217 VanDerWaalsContact C-N 3.34Å; C217-K219 PolarHBondContact O-N 2.68Å; C217-L220 HydrophobicContact CB-CD1 3.72Å; C217-L220 HydrophobicContact CB-CG 4.05Å; C217-L220 WeakPolarHBondContact O-CG 2.93Å; C217-L220 PolarHBondContact O-N 2.96Å; C217-L220 VanDerWaalsContact O-N 3.16Å; C217-L241 WeakPolarHBondContact O-CD2 3.41Å
218T97.2Very high98Very high64 Ų6438.8 Ų38.839%0.39322%0.218SC..THydrogen-bonded Turntrans-68.9-6.9-168.762.70000114.8N216 N243N216-T218 PolarHBondContact O-N 2.91Å; T218-N243 PolarHBondContact O-ND2 3.18Å
219K98Very high98.1Very high89 Ų8939 Ų3939%0.38722%0.216SC..THydrogen-bonded Turntrans-88-1.8175.7-60.1-173.3-1731750113.6H195 N196 L197 T198 C217 E221H195-K219 WeakPolarHBondContact O-CD 3.14Å; H195-K219 WeakPolarHBondContact O-CE 3.24Å; N196-K219 PolarHBondContact OD1-NZ 3.4Å; L197-K219 CarbonylContact O-C 3.37Å; T198-K219 HydrophobicContact CG2-CB 4.05Å; C217-K219 PolarHBondContact O-N 2.68Å; K219-E221 PolarHBondContact O-N 2.9Å
220L98.2Very high98.1Very high0 Ų035.9 Ų35.90%019%0.194CC..  trans-62128.5176.2-73170.4000110.7L197 L200 L214 C217 L241 N243 L244L197-L220 HydrophobicContact CD2-CD2 4.36Å; L197-L220 HydrophobicContact CG-CD2 4.24Å; L197-L220 PolarHBondContact O-N 3.25Å; L200-L220 HydrophobicContact CB-CD2 3.81Å; L214-L220 HydrophobicContact CD1-CD1 4.15Å; C217-L220 HydrophobicContact CB-CD1 3.72Å; C217-L220 HydrophobicContact CB-CG 4.05Å; C217-L220 WeakPolarHBondContact O-CG 2.93Å; C217-L220 PolarHBondContact O-N 2.96Å; C217-L220 VanDerWaalsContact O-N 3.16Å; L220-L241 HydrophobicContact CD1-CD1 4.41Å; L220-L241 HydrophobicContact CD1-CD2 4.25Å; L220-N243 CarbonylContact O-C 3.08Å; L220-N243 WeakPolarHBondContact O-CB 3.08Å; L220-L244 HydrophobicContact CB-CD2 4.15Å; L220-L244 PolarHBondContact O-N 3.43Å
221E97.1Very high98.1Very high112 Ų11238.4 Ų38.452%0.52321%0.212SC..SBendtrans-98.6-25.7177.5-64.9172-176.900112K219 L244 A245 T246K219-E221 PolarHBondContact O-N 2.9Å; E221-L244 WeakPolarHBondContact O-CA 3.39Å; E221-A245 PolarHBondContact O-N 3.45Å; E221-T246 PolarHBondContact O-N 3.3Å
222E98.2Very high98.1Very high92 Ų9244.1 Ų44.143%0.4324%0.238SC..EExtended strand (participates in β ladder)trans-131.6133.5177.4-179.6-176.7172.400109.5N224 L244 T246E222-N224 HydrophobicContact CG-CB 4.05Å; E222-N224 WeakPolarHBondContact OE1-CB 3.37Å; E222-N224 PolarHBondContact OE1-ND2 3.35Å; E222-L244 VanDerWaalsContact C-CD2 3.48Å; E222-T246 WeakPolarHBondContact CA-O 3.33Å; E222-T246 HydrophobicContact CG-CG2 4.15Å
223F98.3Very high98.1Very high5 Ų539.7 Ų39.72%0.02221%0.211CC..EExtended strand (participates in β ladder)trans-117.4105.5169.2-177.8-115.3000108.9I210 L214 I225 L233 L237 L238 L244 T246 I247 N248 L249I210-F223 HydrophobicContact CG1-CZ 4.4Å; L214-F223 HydrophobicContact CD2-CD2 4.35Å; L214-F223 HydrophobicContact CD2-CE2 3.67Å; L214-F223 HydrophobicContact CD2-CZ 4.48Å; F223-I225 HydrophobicContact CE1-CD1 3.98Å; F223-I225 HydrophobicContact CE1-CG1 4.36Å; F223-I225 HydrophobicContact CE1-CG2 4.24Å; F223-I225 HydrophobicContact CE2-CG2 3.86Å; F223-I225 HydrophobicContact CZ-CD1 4.07Å; F223-I225 HydrophobicContact CZ-CG2 3.66Å; F223-L233 HydrophobicContact CE1-CD1 3.93Å; F223-L233 HydrophobicContact CE1-CD2 4.12Å; F223-L233 HydrophobicContact CZ-CD2 4.22Å; F223-L237 HydrophobicContact CZ-CD2 4.29Å; F223-L238 HydrophobicContact CD1-CD2 3.62Å; F223-L238 HydrophobicContact CE1-CD2 4.01Å; F223-L238 HydrophobicContact CG-CD2 4.36Å; F223-L244 HydrophobicContact CB-CD1 3.8Å; F223-L244 HydrophobicContact CB-CD2 3.72Å; F223-L244 HydrophobicContact CB-CG 4.45Å; F223-T246 PolarHBondContact N-O 3.06Å; F223-I247 WeakPolarHBondContact O-CA 3.19Å; F223-N248 PolarHBondContact O-N 3.4Å; F223-L249 HydrophobicContact CD1-CD2 3.93Å; F223-L249 HydrophobicContact CE1-CD2 3.74Å
224N98.5Very high98Very high16 Ų1639.8 Ų39.89%0.08621%0.211CC..EExtended strand (participates in β ladder)trans-128.8110.6-172.8-173.2-18.8000111E222 E226 N248E222-N224 HydrophobicContact CG-CB 4.05Å; E222-N224 WeakPolarHBondContact OE1-CB 3.37Å; E222-N224 PolarHBondContact OE1-ND2 3.35Å; N224-E226 WeakPolarHBondContact OD1-CB 3.44Å; N224-E226 PolarHBondContact OD1-N 2.89Å; N224-E226 VanDerWaalsContact OD1-N 3.14Å; N224-N248 WeakPolarHBondContact CA-O 3.23Å; N224-N248 HydrophobicContact CB-CB 4.19Å
225I98.4Very high97.8Very high0 Ų045.1 Ų45.10%024%0.239CC..  trans-122.426.6177.862.3176.9000111.3L202 I210 F223 N228 M230 L233 N248 L249 N252 F254L202-I225 HydrophobicContact CB-CG2 4.21Å; L202-I225 HydrophobicContact CD1-CG2 4.27Å; I210-I225 HydrophobicContact CD1-CG2 4.36Å; F223-I225 HydrophobicContact CE1-CD1 3.98Å; F223-I225 HydrophobicContact CE1-CG1 4.36Å; F223-I225 HydrophobicContact CE1-CG2 4.24Å; F223-I225 HydrophobicContact CE2-CG2 3.86Å; F223-I225 HydrophobicContact CZ-CD1 4.07Å; F223-I225 HydrophobicContact CZ-CG2 3.66Å; I225-N228 PolarHBondContact O-ND2 2.97Å; I225-M230 HydrophobicContact CD1-CB 4.37Å; I225-M230 HydrophobicContact CD1-CE 4.19Å; I225-M230 HydrophobicContact CD1-CG 4.01Å; I225-L233 HydrophobicContact CD1-CD2 3.84Å; I225-N248 PolarHBondContact N-O 3.28Å; I225-L249 HydrophobicContact CD1-CD2 3.62Å; I225-L249 HydrophobicContact CG1-CD2 3.62Å; I225-N252 PolarHBondContact O-ND2 3.27Å; I225-F254 HydrophobicContact CD1-CE2 4.47Å; I225-F254 HydrophobicContact CD1-CZ 4.46Å
226E98.8Very high97.5Very high30 Ų3045.1 Ų45.114%0.1424%0.241CC..  trans-49.1139.5178.2170.4-178.4179.400112.2R203 Y204 N224 N228 N248 S250 R251R203-E226 CarbonylContact C-O 3.33Å; R203-E226 WeakPolarHBondContact CA-O 3.13Å; R203-E226 HydrophobicContact CB-CB 4.02Å; R203-E226 VanDerWaalsContact CB-O 3.24Å; R203-E226 WeakPolarHBondContact CB-O 3.42Å; Y204-E226 HydrophobicContact CE2-CG 4.17Å; Y204-E226 PolarHBondContact N-O 3.28Å; Y204-E226 PolarHBondContact OH-OE1 2.97Å; N224-E226 WeakPolarHBondContact OD1-CB 3.44Å; N224-E226 PolarHBondContact OD1-N 2.89Å; N224-E226 VanDerWaalsContact OD1-N 3.14Å; E226-N228 PolarHBondContact O-ND2 2.86Å; E226-N248 PolarHBondContact OE2-ND2 2.85Å; E226-S250 VanDerWaalsContact CA-O 3.24Å; E226-S250 WeakPolarHBondContact CA-O 3.34Å; E226-S250 WeakPolarHBondContact CG-OG 3.12Å; E226-R251 IonicContact OE1-NE 2.77Å
227G98.7Very high97.5Very high16 Ų1641.3 Ų41.317%0.16522%0.22CC..SBendtrans6850.3172.900000112.5Y204 N205 S250 R251Y204-G227 WeakPolarHBondContact CA-O 3.33Å; Y204-G227 PolarHBondContact N-O 2.81Å; N205-G227 PolarHBondContact N-O 3.48Å; G227-S250 PolarHBondContact N-O 3.44Å; G227-S250 VanDerWaalsContact N-O 3.12Å; G227-R251 WeakPolarHBondContact CA-O 3.4Å; G227-R251 PolarHBondContact N-O 3.42Å; G227-R251 VanDerWaalsContact N-O 3.12Å
228N98.8Very high97.5Very high5 Ų541.4 Ų41.43%0.02722%0.221CC..SBendtrans-126.8-172.1173.2-81-79.3000109.3L202 N205 K206 L207 I225 E226 M230 R251 N252L202-N228 PolarHBondContact O-ND2 3Å; L202-N228 VanDerWaalsContact O-ND2 3.14Å; N205-N228 VanDerWaalsContact CA-OD1 3.28Å; N205-N228 WeakPolarHBondContact CA-OD1 3.31Å; N205-N228 WeakPolarHBondContact CB-OD1 3.43Å; N205-N228 PolarHBondContact N-OD1 2.98Å; N205-N228 PolarHBondContact O-OD1 3.18Å; K206-N228 PolarHBondContact N-OD1 3.46Å; L207-N228 HydrophobicContact CB-CB 4.12Å; L207-N228 VanDerWaalsContact CB-OD1 3.23Å; L207-N228 WeakPolarHBondContact CB-OD1 3.49Å; L207-N228 VanDerWaalsContact CG-OD1 3.22Å; L207-N228 WeakPolarHBondContact CG-OD1 3.22Å; L207-N228 PolarHBondContact N-OD1 3.32Å; I225-N228 PolarHBondContact O-ND2 2.97Å; E226-N228 PolarHBondContact O-ND2 2.86Å; N228-M230 HydrophobicContact CB-CG 4Å; N228-R251 PolarHBondContact N-O 3.05Å; N228-N252 WeakPolarHBondContact CA-OD1 3.15Å; N228-N252 WeakPolarHBondContact CB-OD1 3.14Å; N228-N252 PolarHBondContact N-OD1 2.88Å; N228-N252 PolarHBondContact O-OD1 2.94Å; N228-N252 VanDerWaalsContact O-OD1 3.07Å
229N98.3Very high97.4Very high83 Ų8340.6 Ų40.644%0.44422%0.218SC..  trans-111.141.2-180-59.12.9000110L207 T208 D253L207-N229 CarbonylContact O-C 3.16Å; L207-N229 WeakPolarHBondContact O-CA 3.48Å; L207-N229 PolarHBondContact O-N 2.98Å; T208-N229 HydrophobicContact CG2-CB 4.09Å; N229-D253 WeakPolarHBondContact CA-OD2 3.24Å
230M98Very high97.3Very high0 Ų044.6 Ų44.60%023%0.23CC..  trans-88.7127.9-173.1-65.6-76.4-60.700110.9L207 S209 I210 I225 N228 Q232 L233 N252 D253 F254L207-M230 HydrophobicContact CB-CG 4.43Å; L207-M230 HydrophobicContact CB-SD 4.09Å; L207-M230 PolarHBondContact O-N 3.27Å; S209-M230 PolarHBondContact N-SD 2.91Å; I210-M230 HydrophobicContact CB-CE 4.25Å; I210-M230 HydrophobicContact CG1-CE 3.57Å; I210-M230 HydrophobicContact CG1-SD 4.23Å; I225-M230 HydrophobicContact CD1-CB 4.37Å; I225-M230 HydrophobicContact CD1-CE 4.19Å; I225-M230 HydrophobicContact CD1-CG 4.01Å; N228-M230 HydrophobicContact CB-CG 4Å; M230-Q232 WeakPolarHBondContact CE-O 3.48Å; M230-L233 HydrophobicContact CE-CD2 3.57Å; M230-N252 HydrophobicContact CB-CB 4.34Å; M230-N252 WeakPolarHBondContact CB-OD1 3.34Å; M230-N252 WeakPolarHBondContact CG-OD1 3.43Å; M230-N252 PolarHBondContact N-OD1 2.98Å; M230-N252 WeakPolarHBondContact O-CB 3.39Å; M230-D253 CarbonylContact O-C 3.44Å; M230-D253 VanDerWaalsContact O-C 3.32Å; M230-D253 WeakPolarHBondContact O-CA 3.45Å; M230-D253 PolarHBondContact O-N 3.38Å; M230-F254 HydrophobicContact CB-CE2 3.84Å; M230-F254 HydrophobicContact CB-CZ 4.04Å; M230-F254 PolarHBondContact O-N 3.5Å
231S97.6Very high97.2Very high59 Ų5944.7 Ų44.741%0.41323%0.231SC..SBendtrans-109.1-17.8174.1550000113.9D253 F254S231-D253 WeakPolarHBondContact CA-O 3.42Å; S231-D253 WeakPolarHBondContact CB-O 3.39Å; S231-F254 WeakPolarHBondContact O-CD1 3.48Å
232Q97.2Very high96.9Very high132 Ų13242.6 Ų42.662%0.61723%0.229SC*.  trans-153.9156.7179.760.7-177-13.900111.5M230M230-Q232 WeakPolarHBondContact CE-O 3.48Å
233L97.9Very high96.8Very high7 Ų742.5 Ų42.54%0.03723%0.231CC..  trans-108.4156.3167.5-62.7179.1000109.5I210 F223 I225 M230 L237 L238 L249 F254 P258I210-L233 HydrophobicContact CG1-CD2 4.42Å; F223-L233 HydrophobicContact CE1-CD1 3.93Å; F223-L233 HydrophobicContact CE1-CD2 4.12Å; F223-L233 HydrophobicContact CZ-CD2 4.22Å; I225-L233 HydrophobicContact CD1-CD2 3.84Å; M230-L233 HydrophobicContact CE-CD2 3.57Å; L233-L237 HydrophobicContact CB-CD2 4.47Å; L233-L237 HydrophobicContact CD2-CD2 4.49Å; L233-L238 HydrophobicContact CD1-CD1 3.77Å; L233-L238 HydrophobicContact CD1-CD2 4.07Å; L233-L238 HydrophobicContact CD1-CG 3.88Å; L233-L249 HydrophobicContact CD1-CD1 4.25Å; L233-L249 HydrophobicContact CD1-CD2 4.24Å; L233-F254 HydrophobicContact CD2-CZ 4.11Å; L233-F254 HydrophobicContact CG-CE1 4.08Å; L233-F254 HydrophobicContact CG-CZ 3.91Å; L233-P258 HydrophobicContact CB-CB 4.36Å; L233-P258 HydrophobicContact CD1-CB 4.04Å; L233-P258 HydrophobicContact CD1-CG 3.83Å; L233-P258 HydrophobicContact CG-CB 4.43Å; L233-P258 HydrophobicContact CG-CG 4.33Å
234P96.9Very high96.8Very high24 Ų2442.4 Ų42.416%0.15623%0.231CC..  trans-57.2142.5169.9-19.529.4000112.4I210 T212 G236 L237I210-P234 WeakPolarHBondContact O-CG 3.27Å; T212-P234 HydrophobicContact CG2-CB 3.57Å; T212-P234 HydrophobicContact CG2-CG 4.19Å; P234-G236 PolarHBondContact O-N 3.25Å; P234-L237 HydrophobicContact CB-CB 4.39Å; P234-L237 HydrophobicContact CG-CD2 4.42Å; P234-L237 VanDerWaalsContact O-CB 3.25Å; P234-L237 WeakPolarHBondContact O-CB 3.3Å; P234-L237 PolarHBondContact O-N 2.97Å; P234-L237 VanDerWaalsContact O-N 3.08Å
235D93.6Very high96.7Very high114 Ų11443.4 Ų43.461%0.6124%0.242SC*.THydrogen-bonded Turntrans-56.2126-176-66.4-12.5000112L237 Q259D235-L237 PolarHBondContact O-N 3.26Å; D235-Q259 WeakPolarHBondContact OD1-CB 3.44Å; D235-Q259 PolarHBondContact OD1-OE1 3.14Å
236G92.5Very high96.7Very high16 Ų1645.5 Ų45.517%0.16525%0.254CS..THydrogen-bonded Turntrans71.36.1177.100000115P234 L238 S239 R240 Q259P234-G236 PolarHBondContact O-N 3.25Å; G236-L238 PolarHBondContact O-N 2.95Å; G236-S239 WeakPolarHBondContact CA-OG 3.38Å; G236-S239 PolarHBondContact O-N 3.11Å; G236-S239 VanDerWaalsContact O-N 3.12Å; G236-S239 PolarHBondContact O-OG 3.14Å; G236-R240 PolarHBondContact O-N 3.17Å; G236-Q259 PolarHBondContact N-O 2.88Å
237L97.3Very high96.7Very high3 Ų344.1 Ų44.12%0.01625%0.248CC..Hα-helixtrans-50.6-54.8177172.963.2000111.3I210 L214 A215 F223 L233 P234 D235 S239 R240 L241I210-L237 HydrophobicContact CG2-CD2 3.77Å; L214-L237 HydrophobicContact CB-CD1 4.03Å; L214-L237 HydrophobicContact CG-CD1 4.36Å; A215-L237 HydrophobicContact CB-CD1 3.97Å; F223-L237 HydrophobicContact CZ-CD2 4.29Å; L233-L237 HydrophobicContact CB-CD2 4.47Å; L233-L237 HydrophobicContact CD2-CD2 4.49Å; P234-L237 HydrophobicContact CB-CB 4.39Å; P234-L237 HydrophobicContact CG-CD2 4.42Å; P234-L237 VanDerWaalsContact O-CB 3.25Å; P234-L237 WeakPolarHBondContact O-CB 3.3Å; P234-L237 PolarHBondContact O-N 2.97Å; P234-L237 VanDerWaalsContact O-N 3.08Å; D235-L237 PolarHBondContact O-N 3.26Å; L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 3.38Å; L237-R240 WeakPolarHBondContact O-CB 3.47Å; L237-R240 PolarHBondContact O-N 3.26Å; L237-R240 VanDerWaalsContact O-N 3.12Å; L237-L241 HydrophobicContact CD1-CD1 4.31Å; L237-L241 HydrophobicContact CG-CD1 4.42Å; L237-L241 PolarHBondContact O-N 3.25Å
238L97.5Very high96.7Very high3 Ų344 Ų442%0.01624%0.244CC..Hα-helixtrans-65.6-30.3-177.3-61.1177000112.3F223 L233 G236 R240 L241 L244 I247 P258 Q264F223-L238 HydrophobicContact CD1-CD2 3.62Å; F223-L238 HydrophobicContact CE1-CD2 4.01Å; F223-L238 HydrophobicContact CG-CD2 4.36Å; L233-L238 HydrophobicContact CD1-CD1 3.77Å; L233-L238 HydrophobicContact CD1-CD2 4.07Å; L233-L238 HydrophobicContact CD1-CG 3.88Å; G236-L238 PolarHBondContact O-N 2.95Å; L238-R240 PolarHBondContact O-N 3.27Å; L238-L241 PolarHBondContact O-N 2.99Å; L238-L244 HydrophobicContact CD2-CD1 4.11Å; L238-I247 HydrophobicContact CD1-CD1 4.18Å; L238-I247 HydrophobicContact CD2-CD1 4.24Å; L238-P258 HydrophobicContact CD1-CB 4.04Å; L238-P258 HydrophobicContact CD1-CG 4.05Å; L238-Q264 HydrophobicContact CB-CB 3.82Å; L238-Q264 HydrophobicContact CB-CG 3.89Å
239S95.3Very high96.7Very high46 Ų4643.9 Ų43.932%0.32224%0.243SC..Hα-helixtrans-69.5-20.4177.4740000113.7G236 L237G236-S239 WeakPolarHBondContact CA-OG 3.38Å; G236-S239 PolarHBondContact O-N 3.11Å; G236-S239 VanDerWaalsContact O-N 3.12Å; G236-S239 PolarHBondContact O-OG 3.14Å; L237-S239 VanDerWaalsContact C-N 3.26Å; L237-S239 PolarHBondContact O-N 3.38Å
240R95.9Very high96.8Very high173 Ų17339.9 Ų39.965%0.65322%0.222SC*.Hα-helixtrans-86.4-25176.7-67-73.3-170171.42112.5A215 G236 L237 L238 S242A215-R240 HydrophobicContact CB-CB 3.77Å; A215-R240 HydrophobicContact CB-CG 3.97Å; G236-R240 PolarHBondContact O-N 3.17Å; L237-R240 WeakPolarHBondContact O-CB 3.47Å; L237-R240 PolarHBondContact O-N 3.26Å; L237-R240 VanDerWaalsContact O-N 3.12Å; L238-R240 PolarHBondContact O-N 3.27Å; R240-S242 VanDerWaalsContact C-N 3.26Å; R240-S242 PolarHBondContact O-N 3.19Å
241L96.1Very high96.8Very high3 Ų344.2 Ų44.22%0.01624%0.238CC..  trans-85.267.5180-58.3178.7000110.3C217 L220 L237 L238 N243 L244C217-L241 WeakPolarHBondContact O-CD2 3.41Å; L220-L241 HydrophobicContact CD1-CD1 4.41Å; L220-L241 HydrophobicContact CD1-CD2 4.25Å; L237-L241 HydrophobicContact CD1-CD1 4.31Å; L237-L241 HydrophobicContact CG-CD1 4.42Å; L237-L241 PolarHBondContact O-N 3.25Å; L238-L241 PolarHBondContact O-N 2.99Å; L241-N243 PolarHBondContact O-N 3.4Å; L241-L244 HydrophobicContact CB-CD1 3.49Å; L241-L244 VanDerWaalsContact CB-CD1 3.49Å; L241-L244 HydrophobicContact CB-CG 3.67Å; L241-L244 HydrophobicContact CD1-CD1 3.83Å; L241-L244 HydrophobicContact CG-CD1 4.31Å; L241-L244 WeakPolarHBondContact O-CG 3.19Å; L241-L244 PolarHBondContact O-N 3.03Å
242S91.7Very high96.9Very high68 Ų6841.7 Ų41.748%0.47622%0.22SC..THydrogen-bonded Turntrans-65.4-12.1-169.159.50000115.8R240 C267R240-S242 VanDerWaalsContact C-N 3.26Å; R240-S242 PolarHBondContact O-N 3.19Å; S242-C267 PolarHBondContact O-SG 3.13Å
243N95.7Very high96.9Very high90 Ų9038.6 Ų38.648%0.48121%0.207SC..THydrogen-bonded Turntrans-993.3-179.8-69.7-1000113.3T218 L220 L241 A245T218-N243 PolarHBondContact O-ND2 3.18Å; L220-N243 CarbonylContact O-C 3.08Å; L220-N243 WeakPolarHBondContact O-CB 3.08Å; L241-N243 PolarHBondContact O-N 3.4Å; N243-A245 PolarHBondContact O-N 3.38Å; N243-A245 VanDerWaalsContact O-N 3.16Å
244L97.2Very high96.9Very high2 Ų238.3 Ų38.31%0.0121%0.206CC..  trans-65.8117179.9-71.4179.3000111.5L220 E221 E222 F223 L238 L241 I247 C267 V268L220-L244 HydrophobicContact CB-CD2 4.15Å; L220-L244 PolarHBondContact O-N 3.43Å; E221-L244 WeakPolarHBondContact O-CA 3.39Å; E222-L244 VanDerWaalsContact C-CD2 3.48Å; F223-L244 HydrophobicContact CB-CD1 3.8Å; F223-L244 HydrophobicContact CB-CD2 3.72Å; F223-L244 HydrophobicContact CB-CG 4.45Å; L238-L244 HydrophobicContact CD2-CD1 4.11Å; L241-L244 HydrophobicContact CB-CD1 3.49Å; L241-L244 VanDerWaalsContact CB-CD1 3.49Å; L241-L244 HydrophobicContact CB-CG 3.67Å; L241-L244 HydrophobicContact CD1-CD1 3.83Å; L241-L244 HydrophobicContact CG-CD1 4.31Å; L241-L244 WeakPolarHBondContact O-CG 3.19Å; L241-L244 PolarHBondContact O-N 3.03Å; L244-I247 HydrophobicContact CB-CG1 4.46Å; L244-I247 HydrophobicContact CD1-CD1 4.27Å; L244-I247 HydrophobicContact CD1-CG1 4.08Å; L244-C267 CarbonylContact O-C 3.39Å; L244-C267 VanDerWaalsContact O-C 3.31Å; L244-V268 HydrophobicContact CB-CG2 4.42Å; L244-V268 WeakPolarHBondContact O-CA 3.07Å; L244-V268 WeakPolarHBondContact O-CG2 3.3Å; L244-V268 PolarHBondContact O-N 3.36Å
245A98.1Very high97Very high38 Ų3840.1 Ų40.131%0.31422%0.219SC..SBendtrans-91.8-29.8166.800000111.3E221 N243 V269 T270E221-A245 PolarHBondContact O-N 3.45Å; N243-A245 PolarHBondContact O-N 3.38Å; N243-A245 VanDerWaalsContact O-N 3.16Å; A245-V269 HydrophobicContact CB-CG2 4.49Å; A245-V269 PolarHBondContact O-N 3.36Å; A245-T270 PolarHBondContact O-N 3.41Å
246T98.6Very high97.2Very high43 Ų4337.6 Ų37.626%0.26421%0.211SC..EExtended strand (participates in β ladder)trans-129.6130.4-177.9-61.10000111.6E221 E222 F223 T270E221-T246 PolarHBondContact O-N 3.3Å; E222-T246 WeakPolarHBondContact CA-O 3.33Å; E222-T246 HydrophobicContact CG-CG2 4.15Å; F223-T246 PolarHBondContact N-O 3.06Å; T246-T270 WeakPolarHBondContact CA-O 3.18Å; T246-T270 HydrophobicContact CG2-CG2 4.41Å
247I98.6Very high97.4Very high1 Ų137.4 Ų37.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-120.7117.8171.8-61.5-179.8000108F223 L238 L244 L249 F265 V268 T270 V271 N272F223-I247 WeakPolarHBondContact O-CA 3.19Å; L238-I247 HydrophobicContact CD1-CD1 4.18Å; L238-I247 HydrophobicContact CD2-CD1 4.24Å; L244-I247 HydrophobicContact CB-CG1 4.46Å; L244-I247 HydrophobicContact CD1-CD1 4.27Å; L244-I247 HydrophobicContact CD1-CG1 4.08Å; I247-L249 HydrophobicContact CG2-CD1 3.99Å; I247-L249 HydrophobicContact CG2-CD2 4Å; I247-L249 HydrophobicContact CG2-CG 3.74Å; I247-F265 HydrophobicContact CD1-CD1 4.08Å; I247-F265 HydrophobicContact CD1-CE1 3.97Å; I247-V268 HydrophobicContact CD1-CG1 4.33Å; I247-V268 HydrophobicContact CD1-CG2 3.59Å; I247-V268 HydrophobicContact CG1-CG1 4.22Å; I247-V268 HydrophobicContact CG1-CG2 4.04Å; I247-T270 PolarHBondContact N-O 2.87Å; I247-V271 WeakPolarHBondContact O-CA 3.22Å; I247-N272 PolarHBondContact O-N 2.79Å
248N98.8Very high97.3Very high15 Ų1537.6 Ų37.68%0.0821%0.207CC..EExtended strand (participates in β ladder)trans-123.4108.2175.8-171.93.6000110.7F223 N224 I225 E226 S250 N272F223-N248 PolarHBondContact O-N 3.4Å; N224-N248 WeakPolarHBondContact CA-O 3.23Å; N224-N248 HydrophobicContact CB-CB 4.19Å; I225-N248 PolarHBondContact N-O 3.28Å; E226-N248 PolarHBondContact OE2-ND2 2.85Å; N248-S250 WeakPolarHBondContact OD1-CB 3.49Å; N248-S250 PolarHBondContact OD1-N 3.07Å; N248-S250 VanDerWaalsContact OD1-N 3.13Å; N248-S250 PolarHBondContact OD1-OG 3.23Å; N248-N272 HydrophobicContact CB-CB 4.43Å
249L98.7Very high97Very high1 Ų143.2 Ų43.21%0.00523%0.233CC..  trans-116.717.6179.7-47.6177.6000110.9F223 I225 L233 I247 N252 F254 P258 N272 M273 N276F223-L249 HydrophobicContact CD1-CD2 3.93Å; F223-L249 HydrophobicContact CE1-CD2 3.74Å; I225-L249 HydrophobicContact CD1-CD2 3.62Å; I225-L249 HydrophobicContact CG1-CD2 3.62Å; L233-L249 HydrophobicContact CD1-CD1 4.25Å; L233-L249 HydrophobicContact CD1-CD2 4.24Å; I247-L249 HydrophobicContact CG2-CD1 3.99Å; I247-L249 HydrophobicContact CG2-CD2 4Å; I247-L249 HydrophobicContact CG2-CG 3.74Å; L249-N252 PolarHBondContact O-ND2 3.21Å; L249-F254 HydrophobicContact CB-CD2 4.31Å; L249-F254 HydrophobicContact CB-CE2 3.94Å; L249-F254 HydrophobicContact CD1-CE2 4.49Å; L249-F254 HydrophobicContact CD1-CZ 4.37Å; L249-P258 HydrophobicContact CD1-CG 3.77Å; L249-N272 PolarHBondContact N-O 3.15Å; L249-M273 HydrophobicContact CB-CE 4.45Å; L249-M273 HydrophobicContact CB-CG 4.32Å; L249-M273 HydrophobicContact CD1-CE 3.61Å; L249-M273 HydrophobicContact CD1-CG 4.44Å; L249-M273 HydrophobicContact CD1-SD 4.45Å; L249-N276 PolarHBondContact O-ND2 3.01Å
250S98.8Very high96.7Very high0 Ų042.8 Ų42.80%024%0.236CC..  trans-66161-175.264.90000113E226 G227 N248 N252 E274E226-S250 VanDerWaalsContact CA-O 3.24Å; E226-S250 WeakPolarHBondContact CA-O 3.34Å; E226-S250 WeakPolarHBondContact CG-OG 3.12Å; G227-S250 PolarHBondContact N-O 3.44Å; G227-S250 VanDerWaalsContact N-O 3.12Å; N248-S250 WeakPolarHBondContact OD1-CB 3.49Å; N248-S250 PolarHBondContact OD1-N 3.07Å; N248-S250 VanDerWaalsContact OD1-N 3.13Å; N248-S250 PolarHBondContact OD1-OG 3.23Å; S250-N252 PolarHBondContact O-N 3.36Å; S250-N252 PolarHBondContact O-ND2 3.29Å; S250-E274 CarbonylContact C-O 3.2Å; S250-E274 WeakPolarHBondContact CA-O 3.37Å; S250-E274 VanDerWaalsContact CB-CG 3.45Å; S250-E274 WeakPolarHBondContact CB-O 3.5Å
251R98.8Very high96.6Very high90 Ų9035.8 Ų35.834%0.3422%0.218SC..SBendtrans53.856.3176-57.7174.7-177-72.5-19.7111.6E226 G227 N228 E274 H275E226-R251 IonicContact OE1-NE 2.77Å; G227-R251 WeakPolarHBondContact CA-O 3.4Å; G227-R251 PolarHBondContact N-O 3.42Å; G227-R251 VanDerWaalsContact N-O 3.12Å; N228-R251 PolarHBondContact N-O 3.05Å; R251-E274 IonicContact CZ-OE1 3.29Å; R251-E274 PolarHBondContact N-O 2.88Å; R251-E274 IonicContact NE-OE1 3.12Å; R251-E274 IonicContact NH2-OE1 3.85Å; R251-E274 PolarHBondContact NH2-OE1 2.85Å; R251-H275 VanDerWaalsContact CA-O 3.22Å; R251-H275 WeakPolarHBondContact CA-O 3.35Å; R251-H275 HydrophobicContact CB-CB 4.49Å; R251-H275 HydrophobicContact CG-CB 3.84Å; R251-H275 PolarHBondContact N-O 3.15Å
252N98.7Very high96.6Very high6 Ų637.5 Ų37.53%0.03223%0.229CC..SBendtrans-139.5-171.1179.7-86.1-77.9000108.7I225 N228 M230 L249 S250 F254 H275 N276I225-N252 PolarHBondContact O-ND2 3.27Å; N228-N252 WeakPolarHBondContact CA-OD1 3.15Å; N228-N252 WeakPolarHBondContact CB-OD1 3.14Å; N228-N252 PolarHBondContact N-OD1 2.88Å; N228-N252 PolarHBondContact O-OD1 2.94Å; N228-N252 VanDerWaalsContact O-OD1 3.07Å; M230-N252 HydrophobicContact CB-CB 4.34Å; M230-N252 WeakPolarHBondContact CB-OD1 3.34Å; M230-N252 WeakPolarHBondContact CG-OD1 3.43Å; M230-N252 PolarHBondContact N-OD1 2.98Å; M230-N252 WeakPolarHBondContact O-CB 3.39Å; L249-N252 PolarHBondContact O-ND2 3.21Å; S250-N252 PolarHBondContact O-N 3.36Å; S250-N252 PolarHBondContact O-ND2 3.29Å; N252-F254 HydrophobicContact CB-CD2 3.7Å; N252-F254 HydrophobicContact CB-CE2 3.93Å; N252-H275 PolarHBondContact N-O 3.23Å; N252-N276 WeakPolarHBondContact CA-OD1 3.33Å; N252-N276 WeakPolarHBondContact CB-OD1 3.18Å; N252-N276 PolarHBondContact O-OD1 3.36Å
253D98.4Very high96.8Very high67 Ų6736.1 Ų36.136%0.35822%0.222SC..  trans-109.430.1-176.3-60.6-55.3000112N229 M230 S231 S255 Q277N229-D253 WeakPolarHBondContact CA-OD2 3.24Å; M230-D253 CarbonylContact O-C 3.44Å; M230-D253 VanDerWaalsContact O-C 3.32Å; M230-D253 WeakPolarHBondContact O-CA 3.45Å; M230-D253 PolarHBondContact O-N 3.38Å; S231-D253 WeakPolarHBondContact CA-O 3.42Å; S231-D253 WeakPolarHBondContact CB-O 3.39Å; D253-S255 PolarHBondContact O-N 3.12Å; D253-Q277 PolarHBondContact OD1-NE2 2.78Å
254F98.6Very high96.8Very high1 Ų132.1 Ų32.10%0.00420%0.2CC..  trans-70.5117.2179.8-74.5-86.6000110.6I225 M230 S231 L233 L249 N252 P258 N276 Q277 I278I225-F254 HydrophobicContact CD1-CE2 4.47Å; I225-F254 HydrophobicContact CD1-CZ 4.46Å; M230-F254 HydrophobicContact CB-CE2 3.84Å; M230-F254 HydrophobicContact CB-CZ 4.04Å; M230-F254 PolarHBondContact O-N 3.5Å; S231-F254 WeakPolarHBondContact O-CD1 3.48Å; L233-F254 HydrophobicContact CD2-CZ 4.11Å; L233-F254 HydrophobicContact CG-CE1 4.08Å; L233-F254 HydrophobicContact CG-CZ 3.91Å; L249-F254 HydrophobicContact CB-CD2 4.31Å; L249-F254 HydrophobicContact CB-CE2 3.94Å; L249-F254 HydrophobicContact CD1-CE2 4.49Å; L249-F254 HydrophobicContact CD1-CZ 4.37Å; N252-F254 HydrophobicContact CB-CD2 3.7Å; N252-F254 HydrophobicContact CB-CE2 3.93Å; F254-P258 HydrophobicContact CE1-CG 4.23Å; F254-N276 HydrophobicContact CB-CB 4.29Å; F254-N276 WeakPolarHBondContact CB-OD1 3.08Å; F254-N276 WeakPolarHBondContact CD2-OD1 3.43Å; F254-N276 PolarHBondContact N-OD1 3.14Å; F254-Q277 CarbonylContact O-C 3.25Å; F254-Q277 VanDerWaalsContact O-C 3.25Å; F254-Q277 WeakPolarHBondContact O-CA 3.33Å; F254-Q277 PolarHBondContact O-N 3Å; F254-I278 HydrophobicContact CB-CG1 4.31Å; F254-I278 WeakPolarHBondContact O-CG1 3.24Å; F254-I278 PolarHBondContact O-N 3.14Å
255S97.9Very high96.8Very high62 Ų6232.1 Ų32.143%0.43420%0.2SC..SBendtrans-87.5-10.5170.7640000113.4D253 Q277D253-S255 PolarHBondContact O-N 3.12Å; S255-Q277 WeakPolarHBondContact CA-O 3.42Å
256S97.4Very high96.7Very high62 Ų6233.1 Ų33.143%0.43420%0.202SC..SBendtrans-155.2163.2-179.360.70000111.4
257F97.1Very high96.5Very high11 Ų1133.3 Ų33.35%0.04821%0.205CC..PPolyproline II helixtrans-60.7147171.1-82-104.7000112.2F265 M273 I278 V281 P282 I285 F286 L297F257-F265 HydrophobicContact CD1-CZ 4.43Å; F257-M273 HydrophobicContact CD1-CE 4.38Å; F257-M273 HydrophobicContact CD1-SD 3.78Å; F257-M273 HydrophobicContact CE1-SD 3.53Å; F257-M273 VanDerWaalsContact CE1-SD 3.53Å; F257-M273 HydrophobicContact CG-SD 4.44Å; F257-M273 HydrophobicContact CZ-SD 4.02Å; F257-I278 HydrophobicContact CD2-CD1 4.41Å; F257-I278 HydrophobicContact CD2-CG2 3.85Å; F257-I278 HydrophobicContact CE2-CD1 4.31Å; F257-I278 HydrophobicContact CE2-CG2 3.76Å; F257-V281 HydrophobicContact CE2-CB 4.08Å; F257-V281 HydrophobicContact CE2-CG1 4.07Å; F257-V281 HydrophobicContact CE2-CG2 3.83Å; F257-V281 HydrophobicContact CZ-CB 4.45Å; F257-V281 HydrophobicContact CZ-CG1 4.04Å; F257-V281 HydrophobicContact CZ-CG2 4.08Å; F257-P282 HydrophobicContact CB-CG 4.04Å; F257-P282 VanDerWaalsContact CD2-CD 3.46Å; F257-P282 HydrophobicContact CD2-CG 4.39Å; F257-P282 HydrophobicContact CG-CG 4.38Å; F257-I285 HydrophobicContact CD1-CG1 4.27Å; F257-F286 HydrophobicContact CE1-CE1 4.38Å; F257-F286 HydrophobicContact CE1-CE2 4.33Å; F257-F286 AromaticContact CE1-CZ 3.65Å; F257-F286 HydrophobicContact CE1-CZ 3.65Å; F257-F286 HydrophobicContact CZ-CE2 4.46Å; F257-F286 HydrophobicContact CZ-CZ 4.14Å; F257-L297 HydrophobicContact CE2-CD2 4.41Å; F257-L297 HydrophobicContact CZ-CD1 4.39Å; F257-L297 HydrophobicContact CZ-CD2 3.77Å
258P95.7Very high96.5Very high8 Ų833.3 Ų33.35%0.05221%0.205CC..PPolyproline II helixtrans-56.8144.6174.7-26.934000114.2L233 L238 L249 F254 Q264 M273L233-P258 HydrophobicContact CB-CB 4.36Å; L233-P258 HydrophobicContact CD1-CB 4.04Å; L233-P258 HydrophobicContact CD1-CG 3.83Å; L233-P258 HydrophobicContact CG-CB 4.43Å; L233-P258 HydrophobicContact CG-CG 4.33Å; L238-P258 HydrophobicContact CD1-CB 4.04Å; L238-P258 HydrophobicContact CD1-CG 4.05Å; L249-P258 HydrophobicContact CD1-CG 3.77Å; F254-P258 HydrophobicContact CE1-CG 4.23Å; P258-Q264 PolarHBondContact O-NE2 2.96Å; P258-M273 HydrophobicContact CG-CE 4.31Å
259Q91.1Very high96.5Very high120 Ų12035 Ų3556%0.56122%0.216SC*.SBendtrans-72.6144.4177-57.9-164.930.100112.1D235 G236 Q264D235-Q259 WeakPolarHBondContact OD1-CB 3.44Å; D235-Q259 PolarHBondContact OD1-OE1 3.14Å; G236-Q259 PolarHBondContact N-O 2.88Å; Q259-Q264 PolarHBondContact O-OE1 3.27Å; Q259-Q264 VanDerWaalsContact O-OE1 3.05Å
260G89.7Confident96.5Very high38 Ų3836.9 Ų36.939%0.39223%0.227SC..SBendtrans135.2-4-177.100000114.1
261G94.2Very high96.5Very high26 Ų2636.9 Ų36.927%0.26823%0.227SC..G310 helixtrans64.7-16017400000113.8A263 Q264G261-A263 VanDerWaalsContact C-N 3.27Å; G261-A263 PolarHBondContact O-N 2.66Å; G261-Q264 VanDerWaalsContact N-NE2 3.15Å; G261-Q264 VanDerWaalsContact O-CG 3.32Å; G261-Q264 WeakPolarHBondContact O-CG 3.39Å; G261-Q264 PolarHBondContact O-N 2.9Å; G261-Q264 PolarHBondContact O-NE2 3.32Å
262P96.1Very high96.5Very high38 Ų3834 Ų3425%0.24722%0.218CC..G310 helixtrans-72.4-17.3-168.6-19.533.4000114.9Q264 F265 G284 I285 S287 R288P262-Q264 PolarHBondContact O-N 3.32Å; P262-F265 PolarHBondContact O-N 3.2Å; P262-G284 WeakPolarHBondContact CG-O 3.33Å; P262-I285 VanDerWaalsContact CA-O 3.31Å; P262-I285 WeakPolarHBondContact CA-O 3.23Å; P262-S287 WeakPolarHBondContact CB-OG 3.42Å; P262-S287 WeakPolarHBondContact CG-OG 3.32Å; P262-R288 HydrophobicContact CB-CB 4.21Å; P262-R288 HydrophobicContact CB-CG 4.02Å
263A95.4Very high96.5Very high39 Ų3933.8 Ų33.832%0.32222%0.217SC..G310 helixtrans-64.1-17.3177.900000113G261 F265 T266G261-A263 VanDerWaalsContact C-N 3.27Å; G261-A263 PolarHBondContact O-N 2.66Å; A263-F265 PolarHBondContact O-N 2.72Å; A263-T266 PolarHBondContact O-OG1 2.83Å
264Q96.2Very high96.5Very high6 Ų631.7 Ų31.73%0.02821%0.205CC..G310 helixtrans-67.3-23.2177.2-62179.19600113.5L238 P258 Q259 G261 P262L238-Q264 HydrophobicContact CB-CB 3.82Å; L238-Q264 HydrophobicContact CB-CG 3.89Å; P258-Q264 PolarHBondContact O-NE2 2.96Å; Q259-Q264 PolarHBondContact O-OE1 3.27Å; Q259-Q264 VanDerWaalsContact O-OE1 3.05Å; G261-Q264 VanDerWaalsContact N-NE2 3.15Å; G261-Q264 VanDerWaalsContact O-CG 3.32Å; G261-Q264 WeakPolarHBondContact O-CG 3.39Å; G261-Q264 PolarHBondContact O-N 2.9Å; G261-Q264 PolarHBondContact O-NE2 3.32Å; P262-Q264 PolarHBondContact O-N 3.32Å
265F96.6Very high96.5Very high3 Ų335.1 Ų35.11%0.01322%0.221CC..G310 helixtrans-115.214.4-169.1-57.4-72.2000113.6I247 F257 P262 A263 C267 V268 V271 I285 F286 A289I247-F265 HydrophobicContact CD1-CD1 4.08Å; I247-F265 HydrophobicContact CD1-CE1 3.97Å; F257-F265 HydrophobicContact CD1-CZ 4.43Å; P262-F265 PolarHBondContact O-N 3.2Å; A263-F265 PolarHBondContact O-N 2.72Å; F265-C267 PolarHBondContact O-N 2.67Å; F265-V268 HydrophobicContact CD1-CG2 4.31Å; F265-V268 PolarHBondContact O-N 3.39Å; F265-V271 HydrophobicContact CD1-CG2 3.72Å; F265-V271 HydrophobicContact CE1-CG1 4.41Å; F265-V271 HydrophobicContact CE1-CG2 3.85Å; F265-I285 HydrophobicContact CD2-CG1 4.26Å; F265-I285 WeakPolarHBondContact CD2-O 3.21Å; F265-I285 HydrophobicContact CE2-CD1 3.98Å; F265-I285 HydrophobicContact CE2-CG1 3.71Å; F265-F286 HydrophobicContact CB-CD1 4.33Å; F265-F286 HydrophobicContact CD1-CE1 4.16Å; F265-F286 HydrophobicContact CD2-CD1 4.04Å; F265-F286 HydrophobicContact CD2-CE1 4.1Å; F265-F286 HydrophobicContact CE1-CE1 4.26Å; F265-F286 HydrophobicContact CE2-CE1 4.22Å; F265-F286 HydrophobicContact CG-CD1 4.04Å; F265-F286 HydrophobicContact CG-CE1 4.08Å; F265-F286 HydrophobicContact CZ-CE1 4.29Å; F265-A289 HydrophobicContact CB-CB 3.79Å; F265-A289 VanDerWaalsContact O-CA 3.3Å; F265-A289 WeakPolarHBondContact O-CA 3.16Å; F265-A289 WeakPolarHBondContact O-CB 3.17Å
266T95Very high96.6Very high58 Ų5832.7 Ų32.736%0.35620%0.203SC..SBendtrans-62.4-38.4-170.8-59.70000114.4A263 R288A263-T266 PolarHBondContact O-OG1 2.83Å; T266-R288 WeakPolarHBondContact CA-O 3.22Å
267C95.6Very high96.6Very high47 Ų4733.6 Ų33.632%0.31820%0.201SC..SBendtrans-106.90.8-179.4-58.70000113S242 L244 F265 Q291S242-C267 PolarHBondContact O-SG 3.13Å; L244-C267 CarbonylContact O-C 3.39Å; L244-C267 VanDerWaalsContact O-C 3.31Å; F265-C267 PolarHBondContact O-N 2.67Å; C267-Q291 PolarHBondContact O-OE1 2.93Å
268V97.9Very high96.7Very high2 Ų233.1 Ų33.11%0.01220%0.199CC..  trans-78.2131.5-170.3-178.80000109.7L244 I247 F265 T270 V271 Q291 L292L244-V268 HydrophobicContact CB-CG2 4.42Å; L244-V268 WeakPolarHBondContact O-CA 3.07Å; L244-V268 WeakPolarHBondContact O-CG2 3.3Å; L244-V268 PolarHBondContact O-N 3.36Å; I247-V268 HydrophobicContact CD1-CG1 4.33Å; I247-V268 HydrophobicContact CD1-CG2 3.59Å; I247-V268 HydrophobicContact CG1-CG1 4.22Å; I247-V268 HydrophobicContact CG1-CG2 4.04Å; F265-V268 HydrophobicContact CD1-CG2 4.31Å; F265-V268 PolarHBondContact O-N 3.39Å; V268-T270 VanDerWaalsContact CG1-O 3.22Å; V268-T270 WeakPolarHBondContact CG1-O 3.46Å; V268-V271 HydrophobicContact CG1-CG2 3.54Å; V268-Q291 CarbonylContact O-C 3.01Å; V268-Q291 VanDerWaalsContact O-C 3.28Å; V268-L292 WeakPolarHBondContact O-CA 3.21Å; V268-L292 PolarHBondContact O-N 2.74Å; V268-L292 VanDerWaalsContact O-N 3.15Å
269V98.7Very high96.8Very high51 Ų5136.7 Ų36.731%0.30922%0.217SC..SBendtrans-96.8-39.3175-178.70000110.6A245 Q291 A293 T294A245-V269 HydrophobicContact CB-CG2 4.49Å; A245-V269 PolarHBondContact O-N 3.36Å; V269-Q291 WeakPolarHBondContact CA-O 3.46Å; V269-Q291 HydrophobicContact CG2-CB 4.22Å; V269-A293 HydrophobicContact CG1-CB 3.93Å; V269-A293 PolarHBondContact O-N 2.93Å; V269-T294 PolarHBondContact O-N 2.9Å
270T98.8Very high97.1Very high39 Ų3937.2 Ų37.224%0.23922%0.218CC..EExtended strand (participates in β ladder)trans-127.3125.7-176.5-59.90000111.3A245 T246 I247 V268 T294A245-T270 PolarHBondContact O-N 3.41Å; T246-T270 WeakPolarHBondContact CA-O 3.18Å; T246-T270 HydrophobicContact CG2-CG2 4.41Å; I247-T270 PolarHBondContact N-O 2.87Å; V268-T270 VanDerWaalsContact CG1-O 3.22Å; V268-T270 WeakPolarHBondContact CG1-O 3.46Å; T270-T294 WeakPolarHBondContact CA-O 3.43Å; T270-T294 HydrophobicContact CG2-CG2 4.19Å
271V98.8Very high97.5Very high0 Ų035.4 Ų35.40%020%0.199CC..EExtended strand (participates in β ladder)trans-118.6117.8169.6176.70000108.7I247 F265 V268 M273 F286 L292 T294 L295 N296I247-V271 WeakPolarHBondContact O-CA 3.22Å; F265-V271 HydrophobicContact CD1-CG2 3.72Å; F265-V271 HydrophobicContact CE1-CG1 4.41Å; F265-V271 HydrophobicContact CE1-CG2 3.85Å; V268-V271 HydrophobicContact CG1-CG2 3.54Å; V271-M273 HydrophobicContact CG1-CG 3.94Å; V271-M273 HydrophobicContact CG1-SD 4.17Å; V271-F286 HydrophobicContact CG2-CE1 4.47Å; V271-L292 HydrophobicContact CB-CD1 4.14Å; V271-L292 HydrophobicContact CG2-CD1 3.72Å; V271-T294 PolarHBondContact N-O 2.92Å; V271-L295 HydrophobicContact CB-CD1 3.95Å; V271-L295 HydrophobicContact CG1-CD1 3.98Å; V271-N296 PolarHBondContact O-N 2.84Å
272N98.9Very high97.7Very high30 Ų3036.6 Ų36.616%0.1620%0.202CC..EExtended strand (participates in β ladder)trans-116.7119.2172.2-172.73.7000110I247 N248 L249 E274 N296I247-N272 PolarHBondContact O-N 2.79Å; N248-N272 HydrophobicContact CB-CB 4.43Å; L249-N272 PolarHBondContact N-O 3.15Å; N272-E274 PolarHBondContact OD1-N 2.82Å; N272-N296 HydrophobicContact CB-CB 4.44Å; N272-N296 PolarHBondContact OD1-ND2 3.05Å
273M98.7Very high97.7Very high1 Ų141.9 Ų41.91%0.00522%0.221CC..  trans-131.330.4174-52.3-178.380.200110.3L249 F257 P258 V271 N276 I278 N296 L297 N300L249-M273 HydrophobicContact CB-CE 4.45Å; L249-M273 HydrophobicContact CB-CG 4.32Å; L249-M273 HydrophobicContact CD1-CE 3.61Å; L249-M273 HydrophobicContact CD1-CG 4.44Å; L249-M273 HydrophobicContact CD1-SD 4.45Å; F257-M273 HydrophobicContact CD1-CE 4.38Å; F257-M273 HydrophobicContact CD1-SD 3.78Å; F257-M273 HydrophobicContact CE1-SD 3.53Å; F257-M273 VanDerWaalsContact CE1-SD 3.53Å; F257-M273 HydrophobicContact CG-SD 4.44Å; F257-M273 HydrophobicContact CZ-SD 4.02Å; P258-M273 HydrophobicContact CG-CE 4.31Å; V271-M273 HydrophobicContact CG1-CG 3.94Å; V271-M273 HydrophobicContact CG1-SD 4.17Å; M273-N276 PolarHBondContact O-ND2 2.86Å; M273-I278 HydrophobicContact CB-CD1 3.95Å; M273-I278 HydrophobicContact CE-CD1 3.61Å; M273-I278 HydrophobicContact SD-CD1 3.99Å; M273-N296 PolarHBondContact N-O 3.09Å; M273-L297 HydrophobicContact CB-CD2 4.09Å; M273-N300 PolarHBondContact O-ND2 2.94Å
274E98.7Very high97.8Very high24 Ų2440.5 Ų40.511%0.11221%0.211CC..  trans-59.4156177.976.8155.9-163.500112.3S250 R251 N272 N276 K298S250-E274 CarbonylContact C-O 3.2Å; S250-E274 WeakPolarHBondContact CA-O 3.37Å; S250-E274 VanDerWaalsContact CB-CG 3.45Å; S250-E274 WeakPolarHBondContact CB-O 3.5Å; R251-E274 IonicContact CZ-OE1 3.29Å; R251-E274 PolarHBondContact N-O 2.88Å; R251-E274 IonicContact NE-OE1 3.12Å; R251-E274 IonicContact NH2-OE1 3.85Å; R251-E274 PolarHBondContact NH2-OE1 2.85Å; N272-E274 PolarHBondContact OD1-N 2.82Å; E274-N276 PolarHBondContact O-ND2 3.25Å; E274-K298 CarbonylContact C-O 3.5Å; E274-K298 WeakPolarHBondContact CA-O 3.5Å; E274-K298 HydrophobicContact CB-CB 4.06Å; E274-K298 WeakPolarHBondContact CB-O 3.36Å; E274-K298 IonicContact OE2-NZ 2.76Å
275H98.7Very high97.9Very high73 Ų7340.7 Ų40.734%0.33821%0.212SC..SBendtrans56.560.3173.6-15996.8000111.3R251 N252 K298 E299R251-H275 VanDerWaalsContact CA-O 3.22Å; R251-H275 WeakPolarHBondContact CA-O 3.35Å; R251-H275 HydrophobicContact CB-CB 4.49Å; R251-H275 HydrophobicContact CG-CB 3.84Å; R251-H275 PolarHBondContact N-O 3.15Å; N252-H275 PolarHBondContact N-O 3.23Å; H275-K298 PolarHBondContact N-O 3.3Å; H275-E299 WeakPolarHBondContact CA-O 3.33Å; H275-E299 IonicContact CE1-OE1 3.34Å; H275-E299 PolarHBondContact CE1-OE1 3.23Å; H275-E299 IonicContact CE1-OE2 3.44Å; H275-E299 IonicContact CG-OE2 2.85Å; H275-E299 PolarHBondContact N-O 3.16Å; H275-E299 VanDerWaalsContact N-O 3.11Å; H275-E299 IonicContact ND1-OE1 3.73Å; H275-E299 PolarHBondContact ND1-OE1 3.02Å; H275-E299 IonicContact ND1-OE2 3.76Å; H275-E299 PolarHBondContact ND1-OE2 3.38Å
276N98.8Very high97.9Very high11 Ų1140.8 Ų40.86%0.05921%0.213CC..SBendtrans-137.3-171.1175.9-83.3-75000108.7L249 N252 F254 M273 E274 I278 E299 N300L249-N276 PolarHBondContact O-ND2 3.01Å; N252-N276 WeakPolarHBondContact CA-OD1 3.33Å; N252-N276 WeakPolarHBondContact CB-OD1 3.18Å; N252-N276 PolarHBondContact O-OD1 3.36Å; F254-N276 HydrophobicContact CB-CB 4.29Å; F254-N276 WeakPolarHBondContact CB-OD1 3.08Å; F254-N276 WeakPolarHBondContact CD2-OD1 3.43Å; F254-N276 PolarHBondContact N-OD1 3.14Å; M273-N276 PolarHBondContact O-ND2 2.86Å; E274-N276 PolarHBondContact O-ND2 3.25Å; N276-I278 HydrophobicContact CB-CD1 4.38Å; N276-I278 HydrophobicContact CB-CG1 4.15Å; N276-E299 PolarHBondContact N-O 3.29Å; N276-E299 VanDerWaalsContact N-O 3.13Å; N276-N300 VanDerWaalsContact C-OD1 3.23Å; N276-N300 WeakPolarHBondContact CB-OD1 3.42Å; N276-N300 PolarHBondContact O-OD1 3.09Å
277Q98.5Very high98Very high81 Ų8140.7 Ų40.738%0.37921%0.214SC..  trans-114.328.9-178.6-65145.938.100111.1D253 F254 S255 N279D253-Q277 PolarHBondContact OD1-NE2 2.78Å; F254-Q277 CarbonylContact O-C 3.25Å; F254-Q277 VanDerWaalsContact O-C 3.25Å; F254-Q277 WeakPolarHBondContact O-CA 3.33Å; F254-Q277 PolarHBondContact O-N 3Å; S255-Q277 WeakPolarHBondContact CA-O 3.42Å; Q277-N279 PolarHBondContact O-N 3.04Å
278I98.7Very high98Very high0 Ų045.1 Ų45.10%022%0.224CC..  trans-73.6116.7-174.7-58.3172.2000109.1F254 F257 M273 N276 K280 N300 E301 L302F254-I278 HydrophobicContact CB-CG1 4.31Å; F254-I278 WeakPolarHBondContact O-CG1 3.24Å; F254-I278 PolarHBondContact O-N 3.14Å; F257-I278 HydrophobicContact CD2-CD1 4.41Å; F257-I278 HydrophobicContact CD2-CG2 3.85Å; F257-I278 HydrophobicContact CE2-CD1 4.31Å; F257-I278 HydrophobicContact CE2-CG2 3.76Å; M273-I278 HydrophobicContact CB-CD1 3.95Å; M273-I278 HydrophobicContact CE-CD1 3.61Å; M273-I278 HydrophobicContact SD-CD1 3.99Å; N276-I278 HydrophobicContact CB-CD1 4.38Å; N276-I278 HydrophobicContact CB-CG1 4.15Å; I278-K280 WeakPolarHBondContact CG2-O 3.37Å; I278-N300 HydrophobicContact CB-CB 4.47Å; I278-N300 WeakPolarHBondContact CB-OD1 3.46Å; I278-N300 WeakPolarHBondContact CG1-OD1 3.38Å; I278-N300 PolarHBondContact N-OD1 3.27Å; I278-E301 CarbonylContact O-C 3.56Å; I278-E301 WeakPolarHBondContact O-CA 3.46Å; I278-E301 PolarHBondContact O-N 3.44Å; I278-L302 HydrophobicContact CG2-CD2 4.06Å; I278-L302 PolarHBondContact O-N 3.23Å
279N97.7Very high98Very high84 Ų8445.4 Ų45.445%0.44923%0.227SC..  trans-94.1-13.5179.963.723.9000114.5Q277 E301Q277-N279 PolarHBondContact O-N 3.04Å; N279-E301 WeakPolarHBondContact CA-O 3.25Å; N279-E301 HydrophobicContact CB-CB 4.08Å
280K97.9Very high97.8Very high130 Ų13049 Ų4957%0.56524%0.24SC*.  trans-154.2139-178.2-173.7176.4179.7179.70112.6I278I278-K280 WeakPolarHBondContact CG2-O 3.37Å
281V98.1Very high97.7Very high0 Ų052.2 Ų52.20%025%0.252CS..PPolyproline II helixtrans-85.3122.6163.1-173.50000109F257 I285 F286 L297 L302 P306 W312F257-V281 HydrophobicContact CE2-CB 4.08Å; F257-V281 HydrophobicContact CE2-CG1 4.07Å; F257-V281 HydrophobicContact CE2-CG2 3.83Å; F257-V281 HydrophobicContact CZ-CB 4.45Å; F257-V281 HydrophobicContact CZ-CG1 4.04Å; F257-V281 HydrophobicContact CZ-CG2 4.08Å; V281-I285 HydrophobicContact CG1-CG2 3.6Å; V281-F286 HydrophobicContact CG1-CD2 4.46Å; V281-F286 HydrophobicContact CG1-CE2 4Å; V281-L297 HydrophobicContact CG2-CD1 3.82Å; V281-L302 HydrophobicContact CG2-CD1 4.36Å; V281-L302 HydrophobicContact CG2-CD2 4.02Å; V281-P306 HydrophobicContact CB-CG 4.03Å; V281-P306 HydrophobicContact CG1-CG 4.07Å; V281-W312 HydrophobicContact CG1-CH2 4.26Å; V281-W312 HydrophobicContact CG1-CZ2 3.92Å; V281-W312 HydrophobicContact CG2-CH2 4.45Å
282P97.6Very high97.7Very high51 Ų5152.3 Ų52.333%0.33125%0.253SS..PPolyproline II helixtrans-64.5142.9178.9-20.131.1000112.5F257 G284 I285F257-P282 HydrophobicContact CB-CG 4.04Å; F257-P282 VanDerWaalsContact CD2-CD 3.46Å; F257-P282 HydrophobicContact CD2-CG 4.39Å; F257-P282 HydrophobicContact CG-CG 4.38Å; P282-G284 PolarHBondContact O-N 3.12Å; P282-I285 HydrophobicContact CB-CB 4.22Å; P282-I285 WeakPolarHBondContact O-CB 3.4Å; P282-I285 VanDerWaalsContact O-CG2 3.3Å; P282-I285 WeakPolarHBondContact O-CG2 3.2Å; P282-I285 PolarHBondContact O-N 3.13Å
283F97.5Very high97.7Very high149 Ų14952 Ų5265%0.65425%0.254SS*.THydrogen-bonded Turntrans-58.7132.4174.9-177.3-84.3000110.4I285 L307 D308F283-I285 PolarHBondContact O-N 2.67Å; F283-L307 HydrophobicContact CD2-CB 4.3Å; F283-L307 HydrophobicContact CE2-CB 4.18Å; F283-D308 WeakPolarHBondContact CA-OD1 3.37Å; F283-D308 HydrophobicContact CD2-CB 3.93Å; F283-D308 WeakPolarHBondContact CD2-OD1 3.41Å; F283-D308 HydrophobicContact CE2-CB 3.54Å; F283-D308 HydrophobicContact CZ-CB 3.88Å
284G97.1Very high97.7Very high10 Ų1053.5 Ų53.510%0.10326%0.264CS..THydrogen-bonded Turntrans77.4-0.3176.700000114.9P262 P282 F286 S287 D308P262-G284 WeakPolarHBondContact CG-O 3.33Å; P282-G284 PolarHBondContact O-N 3.12Å; G284-F286 PolarHBondContact O-N 3.01Å; G284-F286 VanDerWaalsContact O-N 3.13Å; G284-S287 WeakPolarHBondContact O-CB 3.45Å; G284-S287 PolarHBondContact O-N 3.18Å; G284-S287 PolarHBondContact O-OG 2.88Å; G284-D308 WeakPolarHBondContact CA-OD2 3.46Å; G284-D308 VanDerWaalsContact N-CG 3.31Å; G284-D308 PolarHBondContact N-OD1 2.95Å; G284-D308 PolarHBondContact N-OD2 3.24Å
285I97.4Very high97.7Very high10 Ų1052.4 Ų52.45%0.05126%0.259CS..THydrogen-bonded Turntrans-59.8-31-172.6-164.759.1000112.9F257 P262 F265 V281 P282 F283F257-I285 HydrophobicContact CD1-CG1 4.27Å; P262-I285 VanDerWaalsContact CA-O 3.31Å; P262-I285 WeakPolarHBondContact CA-O 3.23Å; F265-I285 HydrophobicContact CD2-CG1 4.26Å; F265-I285 WeakPolarHBondContact CD2-O 3.21Å; F265-I285 HydrophobicContact CE2-CD1 3.98Å; F265-I285 HydrophobicContact CE2-CG1 3.71Å; V281-I285 HydrophobicContact CG1-CG2 3.6Å; P282-I285 HydrophobicContact CB-CB 4.22Å; P282-I285 WeakPolarHBondContact O-CB 3.4Å; P282-I285 VanDerWaalsContact O-CG2 3.3Å; P282-I285 WeakPolarHBondContact O-CG2 3.2Å; P282-I285 PolarHBondContact O-N 3.13Å; F283-I285 PolarHBondContact O-N 2.67Å
286F97.5Very high97.7Very high6 Ų650.1 Ų50.13%0.02625%0.249CC..THydrogen-bonded Turntrans-102.412.1176.5-58.9-55.5000113.8F257 F265 V271 V281 G284 R288 A289 L292 L295 W312F257-F286 HydrophobicContact CE1-CE1 4.38Å; F257-F286 HydrophobicContact CE1-CE2 4.33Å; F257-F286 AromaticContact CE1-CZ 3.65Å; F257-F286 HydrophobicContact CE1-CZ 3.65Å; F257-F286 HydrophobicContact CZ-CE2 4.46Å; F257-F286 HydrophobicContact CZ-CZ 4.14Å; F265-F286 HydrophobicContact CB-CD1 4.33Å; F265-F286 HydrophobicContact CD1-CE1 4.16Å; F265-F286 HydrophobicContact CD2-CD1 4.04Å; F265-F286 HydrophobicContact CD2-CE1 4.1Å; F265-F286 HydrophobicContact CE1-CE1 4.26Å; F265-F286 HydrophobicContact CE2-CE1 4.22Å; F265-F286 HydrophobicContact CG-CD1 4.04Å; F265-F286 HydrophobicContact CG-CE1 4.08Å; F265-F286 HydrophobicContact CZ-CE1 4.29Å; V271-F286 HydrophobicContact CG2-CE1 4.47Å; V281-F286 HydrophobicContact CG1-CD2 4.46Å; V281-F286 HydrophobicContact CG1-CE2 4Å; G284-F286 PolarHBondContact O-N 3.01Å; G284-F286 VanDerWaalsContact O-N 3.13Å; F286-R288 PolarHBondContact O-N 2.88Å; F286-A289 HydrophobicContact CB-CB 4Å; F286-A289 HydrophobicContact CD1-CB 4.21Å; F286-A289 WeakPolarHBondContact O-CB 3.06Å; F286-A289 PolarHBondContact O-N 2.91Å; F286-L292 HydrophobicContact CB-CD2 4.4Å; F286-L292 HydrophobicContact CD1-CD2 3.77Å; F286-L292 HydrophobicContact CD2-CD2 4.4Å; F286-L292 HydrophobicContact CE1-CD2 4.07Å; F286-L292 HydrophobicContact CG-CD2 3.94Å; F286-L292 HydrophobicContact CZ-CD2 4.48Å; F286-L295 HydrophobicContact CD2-CD2 4.31Å; F286-L295 HydrophobicContact CE2-CD1 4.14Å; F286-L295 HydrophobicContact CE2-CD2 3.63Å; F286-L295 HydrophobicContact CZ-CD1 3.71Å; F286-L295 HydrophobicContact CZ-CD2 4.06Å; F286-W312 HydrophobicContact CD2-CD2 4.27Å; F286-W312 AromaticContact CD2-CE2 3.67Å; F286-W312 AromaticContact CD2-CZ2 3.87Å; F286-W312 HydrophobicContact CD2-CZ2 3.87Å; F286-W312 AromaticContact CD2-NE1 3.67Å; F286-W312 HydrophobicContact CE2-CZ2 4.19Å
287S96.4Very high97.7Very high56 Ų5649.6 Ų49.639%0.39225%0.246SC..THydrogen-bonded Turntrans-60.3-19.2-177.458.50000114.8P262 G284P262-S287 WeakPolarHBondContact CB-OG 3.42Å; P262-S287 WeakPolarHBondContact CG-OG 3.32Å; G284-S287 WeakPolarHBondContact O-CB 3.45Å; G284-S287 PolarHBondContact O-N 3.18Å; G284-S287 PolarHBondContact O-OG 2.88Å
288R95.9Very high97.8Very high139 Ų13948.7 Ų48.753%0.52524%0.241SC..THydrogen-bonded Turntrans-110.74.5175.2-63.1-174.9178-171.4-0.8113.5P262 T266 F286 H290P262-R288 HydrophobicContact CB-CB 4.21Å; P262-R288 HydrophobicContact CB-CG 4.02Å; T266-R288 WeakPolarHBondContact CA-O 3.22Å; F286-R288 PolarHBondContact O-N 2.88Å; R288-H290 VanDerWaalsContact C-N 3.26Å; R288-H290 PolarHBondContact O-CD2 3.3Å; R288-H290 PolarHBondContact O-N 3.02Å
289A96.9Very high97.8Very high8 Ų851.9 Ų51.97%0.06626%0.256CS..  trans-8564.2-174.300000111.4F265 F286 Q291 L292F265-A289 HydrophobicContact CB-CB 3.79Å; F265-A289 VanDerWaalsContact O-CA 3.3Å; F265-A289 WeakPolarHBondContact O-CA 3.16Å; F265-A289 WeakPolarHBondContact O-CB 3.17Å; F286-A289 HydrophobicContact CB-CB 4Å; F286-A289 HydrophobicContact CD1-CB 4.21Å; F286-A289 WeakPolarHBondContact O-CB 3.06Å; F286-A289 PolarHBondContact O-N 2.91Å; A289-Q291 PolarHBondContact O-N 2.69Å; A289-Q291 VanDerWaalsContact O-N 3.15Å; A289-L292 HydrophobicContact CB-CB 3.86Å; A289-L292 HydrophobicContact CB-CD2 4.28Å; A289-L292 PolarHBondContact O-N 3.04Å
290H95.4Very high97.8Very high128 Ų12848.5 Ų48.559%0.59324%0.238SC*.THydrogen-bonded Turntrans-70.7-8.7-173-59.3-57.2000114.3R288 N314R288-H290 VanDerWaalsContact C-N 3.26Å; R288-H290 PolarHBondContact O-CD2 3.3Å; R288-H290 PolarHBondContact O-N 3.02Å; H290-N314 WeakPolarHBondContact CA-ND2 3.19Å; H290-N314 VanDerWaalsContact O-CG 3.28Å; H290-N314 PolarHBondContact O-ND2 2.98Å
291Q97.1Very high97.8Very high105 Ų10546.3 Ų46.349%0.49123%0.23SC..THydrogen-bonded Turntrans-112.9-2.8179.4-57.3-1752200112.9C267 V268 V269 A289 A293C267-Q291 PolarHBondContact O-OE1 2.93Å; V268-Q291 CarbonylContact O-C 3.01Å; V268-Q291 VanDerWaalsContact O-C 3.28Å; V269-Q291 WeakPolarHBondContact CA-O 3.46Å; V269-Q291 HydrophobicContact CG2-CB 4.22Å; A289-Q291 PolarHBondContact O-N 2.69Å; A289-Q291 VanDerWaalsContact O-N 3.15Å; Q291-A293 PolarHBondContact O-N 2.89Å
292L98.5Very high97.9Very high3 Ų346.4 Ų46.42%0.01623%0.23CC..  trans-64.8108.3-174.5-178.167.1000110.3V268 V271 F286 A289 T294 N314 V315V268-L292 WeakPolarHBondContact O-CA 3.21Å; V268-L292 PolarHBondContact O-N 2.74Å; V268-L292 VanDerWaalsContact O-N 3.15Å; V271-L292 HydrophobicContact CB-CD1 4.14Å; V271-L292 HydrophobicContact CG2-CD1 3.72Å; F286-L292 HydrophobicContact CB-CD2 4.4Å; F286-L292 HydrophobicContact CD1-CD2 3.77Å; F286-L292 HydrophobicContact CD2-CD2 4.4Å; F286-L292 HydrophobicContact CE1-CD2 4.07Å; F286-L292 HydrophobicContact CG-CD2 3.94Å; F286-L292 HydrophobicContact CZ-CD2 4.48Å; A289-L292 HydrophobicContact CB-CB 3.86Å; A289-L292 HydrophobicContact CB-CD2 4.28Å; A289-L292 PolarHBondContact O-N 3.04Å; L292-T294 WeakPolarHBondContact CD1-O 3.33Å; L292-N314 CarbonylContact O-C 3.03Å; L292-N314 WeakPolarHBondContact O-CB 3.09Å; L292-N314 VanDerWaalsContact O-O 3.09Å; L292-V315 HydrophobicContact CD2-CG2 4.09Å; L292-V315 HydrophobicContact CG-CG2 4.11Å; L292-V315 WeakPolarHBondContact O-CA 3.18Å; L292-V315 PolarHBondContact O-N 2.97Å; L292-V315 VanDerWaalsContact O-N 3.15Å
293A98.8Very high97.9Very high23 Ų2347.7 Ų47.719%0.1924%0.237CC..  trans-103.2-38.8179.900000111.6V269 Q291 V316 E317V269-A293 HydrophobicContact CG1-CB 3.93Å; V269-A293 PolarHBondContact O-N 2.93Å; Q291-A293 PolarHBondContact O-N 2.89Å; A293-V316 HydrophobicContact CB-CG2 4.29Å; A293-V316 PolarHBondContact O-N 2.92Å; A293-E317 PolarHBondContact O-N 3.29Å
294T98.9Very high97.9Very high33 Ų3343.2 Ų43.220%0.20222%0.224CC..EExtended strand (participates in β ladder)trans-121.1122.2-178-580000110.4V269 T270 V271 L292 E317V269-T294 PolarHBondContact O-N 2.9Å; T270-T294 WeakPolarHBondContact CA-O 3.43Å; T270-T294 HydrophobicContact CG2-CG2 4.19Å; V271-T294 PolarHBondContact N-O 2.92Å; L292-T294 WeakPolarHBondContact CD1-O 3.33Å; T294-E317 HydrophobicContact CG2-CB 4.17Å; T294-E317 PolarHBondContact OG1-OE2 2.96Å
295L98.9Very high98Very high1 Ų143.4 Ų43.41%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-125110.5174.9178.359.1000109.7V271 F286 L297 W312 E317 L318 N319V271-L295 HydrophobicContact CB-CD1 3.95Å; V271-L295 HydrophobicContact CG1-CD1 3.98Å; F286-L295 HydrophobicContact CD2-CD2 4.31Å; F286-L295 HydrophobicContact CE2-CD1 4.14Å; F286-L295 HydrophobicContact CE2-CD2 3.63Å; F286-L295 HydrophobicContact CZ-CD1 3.71Å; F286-L295 HydrophobicContact CZ-CD2 4.06Å; L295-L297 HydrophobicContact CD1-CD1 4.17Å; L295-L297 HydrophobicContact CD1-CD2 4.2Å; L295-L297 HydrophobicContact CD1-CG 3.96Å; L295-L297 HydrophobicContact CD2-CD1 4.09Å; L295-L297 HydrophobicContact CG-CD1 4.09Å; L295-L297 HydrophobicContact CG-CG 4.12Å; L295-W312 HydrophobicContact CD2-CE3 3.96Å; L295-W312 HydrophobicContact CD2-CH2 4.26Å; L295-W312 HydrophobicContact CD2-CZ3 3.77Å; L295-E317 PolarHBondContact N-O 2.76Å; L295-L318 HydrophobicContact CB-CD1 4.1Å; L295-L318 HydrophobicContact CD2-CD1 3.91Å; L295-L318 HydrophobicContact CG-CD1 4.03Å; L295-N319 PolarHBondContact O-N 3.07Å
296N98.9Very high98Very high25 Ų2543.5 Ų43.513%0.13422%0.224CC..EExtended strand (participates in β ladder)trans-110.6114176.6-173.38.1000111V271 N272 M273 K298 N319V271-N296 PolarHBondContact O-N 2.84Å; N272-N296 HydrophobicContact CB-CB 4.44Å; N272-N296 PolarHBondContact OD1-ND2 3.05Å; M273-N296 PolarHBondContact N-O 3.09Å; N296-K298 WeakPolarHBondContact OD1-CB 3.42Å; N296-K298 PolarHBondContact OD1-N 2.83Å; N296-N319 HydrophobicContact CB-CB 4.46Å
297L98.8Very high97.9Very high0 Ų050.5 Ų50.50%026%0.261CS..  trans-124.123.3176.9-60.1171.4000111F257 M273 V281 L295 N300 L302 N319 L320 N323F257-L297 HydrophobicContact CE2-CD2 4.41Å; F257-L297 HydrophobicContact CZ-CD1 4.39Å; F257-L297 HydrophobicContact CZ-CD2 3.77Å; M273-L297 HydrophobicContact CB-CD2 4.09Å; V281-L297 HydrophobicContact CG2-CD1 3.82Å; L295-L297 HydrophobicContact CD1-CD1 4.17Å; L295-L297 HydrophobicContact CD1-CD2 4.2Å; L295-L297 HydrophobicContact CD1-CG 3.96Å; L295-L297 HydrophobicContact CD2-CD1 4.09Å; L295-L297 HydrophobicContact CG-CD1 4.09Å; L295-L297 HydrophobicContact CG-CG 4.12Å; L297-N300 PolarHBondContact O-ND2 3.4Å; L297-L302 HydrophobicContact CB-CD1 3.98Å; L297-L302 HydrophobicContact CD1-CD1 4.01Å; L297-N319 CarbonylContact C-O 3.19Å; L297-N319 PolarHBondContact N-O 3.15Å; L297-L320 HydrophobicContact CB-CD2 4.16Å; L297-L320 HydrophobicContact CD1-CD2 4.11Å; L297-N323 PolarHBondContact O-ND2 3.31Å
298K98.8Very high98Very high61 Ų6148.5 Ų48.527%0.26525%0.246SC..  trans-54.4148176.2168.3178.2173.5-139.50111.6E274 H275 N296 N300 N319 S321E274-K298 CarbonylContact C-O 3.5Å; E274-K298 WeakPolarHBondContact CA-O 3.5Å; E274-K298 HydrophobicContact CB-CB 4.06Å; E274-K298 WeakPolarHBondContact CB-O 3.36Å; E274-K298 IonicContact OE2-NZ 2.76Å; H275-K298 PolarHBondContact N-O 3.3Å; N296-K298 WeakPolarHBondContact OD1-CB 3.42Å; N296-K298 PolarHBondContact OD1-N 2.83Å; K298-N300 PolarHBondContact O-ND2 3.19Å; K298-N300 VanDerWaalsContact O-ND2 3.09Å; K298-N319 PolarHBondContact N-O 2.77Å; K298-S321 CarbonylContact C-O 3.05Å; K298-S321 WeakPolarHBondContact CA-O 3.33Å; K298-S321 WeakPolarHBondContact CD-OG 3.49Å; K298-S321 VanDerWaalsContact CG-OG 3.24Å; K298-S321 WeakPolarHBondContact CG-OG 3.39Å
299E98.7Very high98.1Very high68 Ų6841.9 Ų41.932%0.31822%0.221SC..SBendtrans56.161.9170.8-162.5173.6-176.400111.1H275 N276 S321 T322H275-E299 WeakPolarHBondContact CA-O 3.33Å; H275-E299 IonicContact CE1-OE1 3.34Å; H275-E299 PolarHBondContact CE1-OE1 3.23Å; H275-E299 IonicContact CE1-OE2 3.44Å; H275-E299 IonicContact CG-OE2 2.85Å; H275-E299 PolarHBondContact N-O 3.16Å; H275-E299 VanDerWaalsContact N-O 3.11Å; H275-E299 IonicContact ND1-OE1 3.73Å; H275-E299 PolarHBondContact ND1-OE1 3.02Å; H275-E299 IonicContact ND1-OE2 3.76Å; H275-E299 PolarHBondContact ND1-OE2 3.38Å; N276-E299 PolarHBondContact N-O 3.29Å; N276-E299 VanDerWaalsContact N-O 3.13Å; E299-S321 PolarHBondContact N-O 3.37Å; E299-T322 WeakPolarHBondContact CA-O 3.29Å; E299-T322 HydrophobicContact CB-CG2 4.21Å; E299-T322 HydrophobicContact CG-CG2 4.08Å; E299-T322 PolarHBondContact N-O 2.8Å; E299-T322 VanDerWaalsContact N-O 3.16Å
300N98.8Very high98.1Very high12 Ų1241.8 Ų41.86%0.06422%0.221CC..SBendtrans-136-170.5177.2-87.6-82.6000109M273 N276 I278 L297 K298 L302 T322 N323M273-N300 PolarHBondContact O-ND2 2.94Å; N276-N300 VanDerWaalsContact C-OD1 3.23Å; N276-N300 WeakPolarHBondContact CB-OD1 3.42Å; N276-N300 PolarHBondContact O-OD1 3.09Å; I278-N300 HydrophobicContact CB-CB 4.47Å; I278-N300 WeakPolarHBondContact CB-OD1 3.46Å; I278-N300 WeakPolarHBondContact CG1-OD1 3.38Å; I278-N300 PolarHBondContact N-OD1 3.27Å; L297-N300 PolarHBondContact O-ND2 3.4Å; K298-N300 PolarHBondContact O-ND2 3.19Å; K298-N300 VanDerWaalsContact O-ND2 3.09Å; N300-L302 HydrophobicContact CB-CG 4.4Å; N300-T322 PolarHBondContact N-O 2.94Å; N300-N323 WeakPolarHBondContact CA-OD1 3.36Å; N300-N323 VanDerWaalsContact CB-OD1 3.23Å; N300-N323 WeakPolarHBondContact CB-OD1 3.49Å; N300-N323 PolarHBondContact O-OD1 3.16Å
301E98.6Very high98.1Very high85 Ų8538.8 Ų38.840%0.39721%0.212SC..  trans-110.725.4-176.8-60.6-177.2-177.900112.3I278 N279 T303I278-E301 CarbonylContact O-C 3.56Å; I278-E301 WeakPolarHBondContact O-CA 3.46Å; I278-E301 PolarHBondContact O-N 3.44Å; N279-E301 WeakPolarHBondContact CA-O 3.25Å; N279-E301 HydrophobicContact CB-CB 4.08Å; E301-T303 PolarHBondContact O-N 2.94Å; E301-T303 VanDerWaalsContact O-N 3.16Å
302L98.7Very high98.2Very high1 Ų134.2 Ų34.21%0.00519%0.19CC..  trans-64.4118.8-173.8-62.2176000111.1I278 V281 L297 N300 L320 N323 Q324 L325I278-L302 HydrophobicContact CG2-CD2 4.06Å; I278-L302 PolarHBondContact O-N 3.23Å; V281-L302 HydrophobicContact CG2-CD1 4.36Å; V281-L302 HydrophobicContact CG2-CD2 4.02Å; L297-L302 HydrophobicContact CB-CD1 3.98Å; L297-L302 HydrophobicContact CD1-CD1 4.01Å; N300-L302 HydrophobicContact CB-CG 4.4Å; L302-L320 HydrophobicContact CD1-CD2 4.06Å; L302-N323 HydrophobicContact CB-CB 4.21Å; L302-N323 WeakPolarHBondContact CB-OD1 3.38Å; L302-N323 VanDerWaalsContact CG-OD1 3.3Å; L302-N323 WeakPolarHBondContact CG-OD1 3.48Å; L302-N323 PolarHBondContact N-OD1 3.13Å; L302-Q324 CarbonylContact O-C 3.44Å; L302-Q324 VanDerWaalsContact O-CA 3.29Å; L302-Q324 WeakPolarHBondContact O-CA 3.35Å; L302-Q324 PolarHBondContact O-N 3.16Å; L302-L325 HydrophobicContact CB-CD2 4.1Å; L302-L325 PolarHBondContact O-N 2.89Å
303T98.1Very high98.1Very high78 Ų7841.6 Ų41.648%0.47922%0.217SC..  trans-88.5-23.1175.361.60000112.9E301 Q324E301-T303 PolarHBondContact O-N 2.94Å; E301-T303 VanDerWaalsContact O-N 3.16Å; T303-Q324 HydrophobicContact CG2-CB 4.35Å
304S98.1Very high98.1Very high55 Ų5543.5 Ų43.539%0.38522%0.224SC..  trans-161.1154.2179.459.90000111.7
305L98.3Very high98.1Very high14 Ų1442 Ų427%0.07322%0.215CC..  trans-77.3156.2164.5-62-178.8000111V309 W312 L320 L325 L328 P329L305-V309 HydrophobicContact CB-CG2 4.48Å; L305-V309 HydrophobicContact CD1-CG2 4.15Å; L305-W312 HydrophobicContact CD2-CH2 4.27Å; L305-W312 HydrophobicContact CD2-CZ3 4.48Å; L305-L320 HydrophobicContact CD1-CD1 3.82Å; L305-L320 HydrophobicContact CD2-CD1 3.85Å; L305-L320 HydrophobicContact CD2-CD2 3.82Å; L305-L320 HydrophobicContact CG-CD1 4.31Å; L305-L325 HydrophobicContact CG-CD2 4.49Å; L305-L328 HydrophobicContact CD1-CD2 3.91Å; L305-P329 HydrophobicContact CB-CG 4.29Å; L305-P329 HydrophobicContact CD1-CG 4.49Å
306P97.7Very high98.1Very high12 Ų1243.8 Ų43.88%0.07823%0.226CC..  trans-76.3158.2-179.232.9-33.2000111.5V281 D308 V309 W312V281-P306 HydrophobicContact CB-CG 4.03Å; V281-P306 HydrophobicContact CG1-CG 4.07Å; P306-D308 WeakPolarHBondContact CB-OD1 3.48Å; P306-D308 PolarHBondContact O-N 3.11Å; P306-D308 VanDerWaalsContact O-N 3.13Å; P306-V309 WeakPolarHBondContact O-CB 3.44Å; P306-V309 PolarHBondContact O-N 2.99Å; P306-V309 VanDerWaalsContact O-N 3.09Å; P306-W312 HydrophobicContact CG-CH2 4.18Å; P306-W312 HydrophobicContact CG-CZ2 3.56Å
307L96.1Very high98.1Very high153 Ų15346.5 Ų46.580%0.80124%0.238SC*.THydrogen-bonded Turntrans-63-19.8-176.4-66.2176.1000113.8F283F283-L307 HydrophobicContact CD2-CB 4.3Å; F283-L307 HydrophobicContact CE2-CB 4.18Å
308D97Very high98.1Very high14 Ų1446.6 Ų46.68%0.07524%0.239CC..THydrogen-bonded Turntrans-99.218.9177.767.5-49.2000113.5F283 G284 P306 G310 T311F283-D308 WeakPolarHBondContact CA-OD1 3.37Å; F283-D308 HydrophobicContact CD2-CB 3.93Å; F283-D308 WeakPolarHBondContact CD2-OD1 3.41Å; F283-D308 HydrophobicContact CE2-CB 3.54Å; F283-D308 HydrophobicContact CZ-CB 3.88Å; G284-D308 WeakPolarHBondContact CA-OD2 3.46Å; G284-D308 VanDerWaalsContact N-CG 3.31Å; G284-D308 PolarHBondContact N-OD1 2.95Å; G284-D308 PolarHBondContact N-OD2 3.24Å; P306-D308 WeakPolarHBondContact CB-OD1 3.48Å; P306-D308 PolarHBondContact O-N 3.11Å; P306-D308 VanDerWaalsContact O-N 3.13Å; D308-G310 PolarHBondContact O-N 2.86Å; D308-T311 HydrophobicContact CB-CG2 4.1Å; D308-T311 WeakPolarHBondContact O-CB 3.17Å; D308-T311 WeakPolarHBondContact O-CG2 3.3Å; D308-T311 PolarHBondContact O-N 2.91Å; D308-T311 PolarHBondContact O-OG1 2.82Å
309V98.1Very high98.1Very high0 Ų045 Ų450%023%0.233CC..G310 helixtrans-52.3-31176.9720000112.3L305 P306 T311 W312 P329 D331 L335L305-V309 HydrophobicContact CB-CG2 4.48Å; L305-V309 HydrophobicContact CD1-CG2 4.15Å; P306-V309 WeakPolarHBondContact O-CB 3.44Å; P306-V309 PolarHBondContact O-N 2.99Å; P306-V309 VanDerWaalsContact O-N 3.09Å; V309-T311 PolarHBondContact O-N 2.94Å; V309-W312 HydrophobicContact CG2-CD2 3.77Å; V309-W312 HydrophobicContact CG2-CE3 3.52Å; V309-W312 HydrophobicContact CG2-CH2 3.95Å; V309-W312 HydrophobicContact CG2-CZ2 4.17Å; V309-W312 HydrophobicContact CG2-CZ3 3.62Å; V309-W312 WeakPolarHBondContact O-CB 3.22Å; V309-W312 VanDerWaalsContact O-CG 3.27Å; V309-W312 PolarHBondContact O-N 2.94Å; V309-P329 HydrophobicContact CB-CG 4.45Å; V309-P329 HydrophobicContact CG1-CB 4.31Å; V309-P329 HydrophobicContact CG1-CG 3.39Å; V309-D331 HydrophobicContact CG1-CB 4.23Å; V309-L335 HydrophobicContact CG2-CD1 4.48Å; V309-L335 WeakPolarHBondContact O-CD1 3.23Å
310G97.4Very high98.1Very high7 Ų741.8 Ų41.87%0.07222%0.218CC..G310 helixtrans-64.5-6.2177.300000114.8D308 K334D308-G310 PolarHBondContact O-N 2.86Å; G310-K334 VanDerWaalsContact O-CB 3.25Å; G310-K334 WeakPolarHBondContact O-CB 3.46Å
311T96.7Very high98.1Very high64 Ų6441.5 Ų41.539%0.39322%0.217SC..G310 helixtrans-82.4-13.5171.7670000113.3D308 V309 R313D308-T311 HydrophobicContact CB-CG2 4.1Å; D308-T311 WeakPolarHBondContact O-CB 3.17Å; D308-T311 WeakPolarHBondContact O-CG2 3.3Å; D308-T311 PolarHBondContact O-N 2.91Å; D308-T311 PolarHBondContact O-OG1 2.82Å; V309-T311 PolarHBondContact O-N 2.94Å; T311-R313 PolarHBondContact O-N 3.45Å
312W97.9Very high98.1Very high9 Ų939.7 Ų39.73%0.03421%0.212CC..  trans-78.741.8-176.4-54.3-3.5000112.7V281 F286 L295 L305 P306 V309 N314 V315 L318 L335V281-W312 HydrophobicContact CG1-CH2 4.26Å; V281-W312 HydrophobicContact CG1-CZ2 3.92Å; V281-W312 HydrophobicContact CG2-CH2 4.45Å; F286-W312 HydrophobicContact CD2-CD2 4.27Å; F286-W312 AromaticContact CD2-CE2 3.67Å; F286-W312 AromaticContact CD2-CZ2 3.87Å; F286-W312 HydrophobicContact CD2-CZ2 3.87Å; F286-W312 AromaticContact CD2-NE1 3.67Å; F286-W312 HydrophobicContact CE2-CZ2 4.19Å; L295-W312 HydrophobicContact CD2-CE3 3.96Å; L295-W312 HydrophobicContact CD2-CH2 4.26Å; L295-W312 HydrophobicContact CD2-CZ3 3.77Å; L305-W312 HydrophobicContact CD2-CH2 4.27Å; L305-W312 HydrophobicContact CD2-CZ3 4.48Å; P306-W312 HydrophobicContact CG-CH2 4.18Å; P306-W312 HydrophobicContact CG-CZ2 3.56Å; V309-W312 HydrophobicContact CG2-CD2 3.77Å; V309-W312 HydrophobicContact CG2-CE3 3.52Å; V309-W312 HydrophobicContact CG2-CH2 3.95Å; V309-W312 HydrophobicContact CG2-CZ2 4.17Å; V309-W312 HydrophobicContact CG2-CZ3 3.62Å; V309-W312 WeakPolarHBondContact O-CB 3.22Å; V309-W312 VanDerWaalsContact O-CG 3.27Å; V309-W312 PolarHBondContact O-N 2.94Å; W312-N314 PolarHBondContact O-N 3.13Å; W312-N314 VanDerWaalsContact O-N 3.07Å; W312-V315 HydrophobicContact CB-CG2 3.87Å; W312-V315 WeakPolarHBondContact O-CB 3.46Å; W312-V315 WeakPolarHBondContact O-CG2 3.39Å; W312-V315 PolarHBondContact O-N 3.04Å; W312-V315 VanDerWaalsContact O-N 3.09Å; W312-L318 HydrophobicContact CZ3-CD1 4.29Å; W312-L318 HydrophobicContact CZ3-CD2 4.42Å; W312-L335 HydrophobicContact CB-CD2 4.48Å; W312-L335 HydrophobicContact CB-CG 4.31Å
313R96.9Very high98.1Very high158 Ų15840 Ų4060%0.59621%0.214SC*.THydrogen-bonded Turntrans-64.5-18.9-165.9-61.5-176.5-179.8-175.9-0.2114.9T311 N337T311-R313 PolarHBondContact O-N 3.45Å; R313-N337 WeakPolarHBondContact O-CB 3.41Å; R313-N337 PolarHBondContact O-ND2 3.09Å
314N97.9Very high98.1Very high63 Ų6340.1 Ų40.134%0.33721%0.209SC..THydrogen-bonded Turntrans-93.6-8.8-179-60-53.2000113.2H290 L292 W312 V316H290-N314 WeakPolarHBondContact CA-ND2 3.19Å; H290-N314 VanDerWaalsContact O-CG 3.28Å; H290-N314 PolarHBondContact O-ND2 2.98Å; L292-N314 CarbonylContact O-C 3.03Å; L292-N314 WeakPolarHBondContact O-CB 3.09Å; L292-N314 VanDerWaalsContact O-O 3.09Å; W312-N314 PolarHBondContact O-N 3.13Å; W312-N314 VanDerWaalsContact O-N 3.07Å; N314-V316 PolarHBondContact O-N 2.96Å
315V98.8Very high98.1Very high1 Ų137.5 Ų37.51%0.00619%0.19CC..  trans-65.4127.1180178.40000109.2L292 W312 E317 L318 N337 L338L292-V315 HydrophobicContact CD2-CG2 4.09Å; L292-V315 HydrophobicContact CG-CG2 4.11Å; L292-V315 WeakPolarHBondContact O-CA 3.18Å; L292-V315 PolarHBondContact O-N 2.97Å; L292-V315 VanDerWaalsContact O-N 3.15Å; W312-V315 HydrophobicContact CB-CG2 3.87Å; W312-V315 WeakPolarHBondContact O-CB 3.46Å; W312-V315 WeakPolarHBondContact O-CG2 3.39Å; W312-V315 PolarHBondContact O-N 3.04Å; W312-V315 VanDerWaalsContact O-N 3.09Å; V315-E317 WeakPolarHBondContact CG1-O 3.36Å; V315-L318 HydrophobicContact CG1-CB 3.99Å; V315-N337 CarbonylContact O-C 3.22Å; V315-L338 HydrophobicContact CG1-CD1 3.86Å; V315-L338 WeakPolarHBondContact O-CA 3.37Å; V315-L338 PolarHBondContact O-N 2.64Å
316V98.9Very high98.1Very high40 Ų4045.8 Ų45.824%0.24222%0.22CC..SBendtrans-102.6-37.9176.8-1800000109.9A293 N314 N337 E339 M340A293-V316 HydrophobicContact CB-CG2 4.29Å; A293-V316 PolarHBondContact O-N 2.92Å; N314-V316 PolarHBondContact O-N 2.96Å; V316-N337 HydrophobicContact CG2-CB 4.48Å; V316-E339 HydrophobicContact CG1-CB 3.91Å; V316-E339 HydrophobicContact CG1-CG 3.85Å; V316-E339 PolarHBondContact O-N 2.94Å; V316-M340 PolarHBondContact O-N 2.98Å
317E98.9Very high98.1Very high82 Ų8250.5 Ų50.538%0.38324%0.243SC..EExtended strand (participates in β ladder)trans-126.8117.6-179.4-60.7178.1174.900109.9A293 T294 L295 V315 M340A293-E317 PolarHBondContact O-N 3.29Å; T294-E317 HydrophobicContact CG2-CB 4.17Å; T294-E317 PolarHBondContact OG1-OE2 2.96Å; L295-E317 PolarHBondContact N-O 2.76Å; V315-E317 WeakPolarHBondContact CG1-O 3.36Å; E317-M340 HydrophobicContact CB-CB 4.46Å; E317-M340 HydrophobicContact CG-CB 4.15Å
318L98.9Very high98.2Very high1 Ų143.6 Ų43.61%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-121.5112.7177.4-179.454.9000109.7L295 W312 V315 L320 I332 L335 L338 M340 L341 I342L295-L318 HydrophobicContact CB-CD1 4.1Å; L295-L318 HydrophobicContact CD2-CD1 3.91Å; L295-L318 HydrophobicContact CG-CD1 4.03Å; W312-L318 HydrophobicContact CZ3-CD1 4.29Å; W312-L318 HydrophobicContact CZ3-CD2 4.42Å; V315-L318 HydrophobicContact CG1-CB 3.99Å; L318-L320 HydrophobicContact CD1-CD1 4.31Å; L318-L320 HydrophobicContact CD1-CD2 4.09Å; L318-L320 HydrophobicContact CD1-CG 3.98Å; L318-L320 HydrophobicContact CD2-CD1 3.94Å; L318-L320 HydrophobicContact CD2-CG 4.47Å; L318-L320 HydrophobicContact CG-CD1 3.96Å; L318-L320 HydrophobicContact CG-CG 3.96Å; L318-I332 HydrophobicContact CD2-CD1 4.49Å; L318-L335 HydrophobicContact CD2-CD2 4.01Å; L318-L338 HydrophobicContact CB-CD1 3.71Å; L318-M340 PolarHBondContact N-O 3.12Å; L318-L341 HydrophobicContact CB-CD1 4.14Å; L318-L341 HydrophobicContact CD2-CD1 3.99Å; L318-L341 HydrophobicContact CG-CD1 4.09Å; L318-I342 PolarHBondContact O-N 3.15Å
319N98.9Very high98.3Very high29 Ų2944.7 Ų44.716%0.15522%0.215CC..EExtended strand (participates in β ladder)trans-111116.7175.2-169.4-11000110.8L295 N296 L297 K298 S321 I342L295-N319 PolarHBondContact O-N 3.07Å; N296-N319 HydrophobicContact CB-CB 4.46Å; L297-N319 CarbonylContact C-O 3.19Å; L297-N319 PolarHBondContact N-O 3.15Å; K298-N319 PolarHBondContact N-O 2.77Å; N319-S321 WeakPolarHBondContact OD1-CB 3.45Å; N319-S321 PolarHBondContact OD1-N 2.96Å; N319-S321 PolarHBondContact OD1-OG 2.89Å; N319-I342 HydrophobicContact CB-CB 4.33Å; N319-I342 HydrophobicContact CB-CD1 4.48Å
320L98.9Very high98.2Very high0 Ų049.9 Ų49.90%024%0.242CC..  trans-123.914-179.9-62.7169.7000111.1L297 L302 L305 L318 N323 L325 I342 V343 N346L297-L320 HydrophobicContact CB-CD2 4.16Å; L297-L320 HydrophobicContact CD1-CD2 4.11Å; L302-L320 HydrophobicContact CD1-CD2 4.06Å; L305-L320 HydrophobicContact CD1-CD1 3.82Å; L305-L320 HydrophobicContact CD2-CD1 3.85Å; L305-L320 HydrophobicContact CD2-CD2 3.82Å; L305-L320 HydrophobicContact CG-CD1 4.31Å; L318-L320 HydrophobicContact CD1-CD1 4.31Å; L318-L320 HydrophobicContact CD1-CD2 4.09Å; L318-L320 HydrophobicContact CD1-CG 3.98Å; L318-L320 HydrophobicContact CD2-CD1 3.94Å; L318-L320 HydrophobicContact CD2-CG 4.47Å; L318-L320 HydrophobicContact CG-CD1 3.96Å; L318-L320 HydrophobicContact CG-CG 3.96Å; L320-N323 PolarHBondContact O-ND2 2.91Å; L320-L325 HydrophobicContact CB-CD1 3.95Å; L320-L325 HydrophobicContact CD1-CD1 4.02Å; L320-L325 HydrophobicContact CG-CD1 4.44Å; L320-I342 WeakPolarHBondContact CA-O 3.43Å; L320-I342 PolarHBondContact N-O 2.94Å; L320-V343 HydrophobicContact CB-CG1 4.1Å; L320-V343 HydrophobicContact CD1-CG1 4.5Å; L320-N346 PolarHBondContact O-ND2 3.05Å
321S98.8Very high98.2Very high6 Ų653 Ų534%0.04226%0.257CS..  trans-61.3151.7-176.554.90000112.5K298 E299 N319 N323 I342 S344K298-S321 CarbonylContact C-O 3.05Å; K298-S321 WeakPolarHBondContact CA-O 3.33Å; K298-S321 WeakPolarHBondContact CD-OG 3.49Å; K298-S321 VanDerWaalsContact CG-OG 3.24Å; K298-S321 WeakPolarHBondContact CG-OG 3.39Å; E299-S321 PolarHBondContact N-O 3.37Å; N319-S321 WeakPolarHBondContact OD1-CB 3.45Å; N319-S321 PolarHBondContact OD1-N 2.96Å; N319-S321 PolarHBondContact OD1-OG 2.89Å; S321-N323 PolarHBondContact O-ND2 3.41Å; S321-I342 PolarHBondContact N-O 3.15Å; S321-S344 CarbonylContact C-O 3.09Å; S321-S344 WeakPolarHBondContact CA-O 3.42Å; S321-S344 WeakPolarHBondContact CB-O 3.28Å; S321-S344 WeakPolarHBondContact CB-OG 3.17Å
322T98.7Very high98.3Very high47 Ų4749.9 Ų49.929%0.28824%0.239SC..SBendtrans55.864.1-179.7-49.60000111.5E299 N300 S344 N345E299-T322 WeakPolarHBondContact CA-O 3.29Å; E299-T322 HydrophobicContact CB-CG2 4.21Å; E299-T322 HydrophobicContact CG-CG2 4.08Å; E299-T322 PolarHBondContact N-O 2.8Å; E299-T322 VanDerWaalsContact N-O 3.16Å; N300-T322 PolarHBondContact N-O 2.94Å; T322-S344 PolarHBondContact N-O 3.21Å; T322-N345 WeakPolarHBondContact CA-O 3.43Å; T322-N345 PolarHBondContact N-O 3.01Å; T322-N345 PolarHBondContact OG1-ND2 2.78Å
323N98.8Very high98.3Very high8 Ų850.4 Ų50.44%0.04324%0.242CC..SBendtrans-136.6-167.1175.7-86.9-81.1000109.3L297 N300 L302 L320 S321 L325 N345 N346L297-N323 PolarHBondContact O-ND2 3.31Å; N300-N323 WeakPolarHBondContact CA-OD1 3.36Å; N300-N323 VanDerWaalsContact CB-OD1 3.23Å; N300-N323 WeakPolarHBondContact CB-OD1 3.49Å; N300-N323 PolarHBondContact O-OD1 3.16Å; L302-N323 HydrophobicContact CB-CB 4.21Å; L302-N323 WeakPolarHBondContact CB-OD1 3.38Å; L302-N323 VanDerWaalsContact CG-OD1 3.3Å; L302-N323 WeakPolarHBondContact CG-OD1 3.48Å; L302-N323 PolarHBondContact N-OD1 3.13Å; L320-N323 PolarHBondContact O-ND2 2.91Å; S321-N323 PolarHBondContact O-ND2 3.41Å; N323-L325 HydrophobicContact CB-CG 4.25Å; N323-N345 PolarHBondContact N-O 2.68Å; N323-N346 WeakPolarHBondContact CA-OD1 3.39Å; N323-N346 WeakPolarHBondContact CB-OD1 3.14Å; N323-N346 PolarHBondContact O-OD1 3.17Å
324Q98.6Very high98.4Very high80 Ų8046.8 Ų46.837%0.37423%0.231SC..  trans-11528.1-178.7-54-179.417.600112.2L302 T303 R326 N346 Y347L302-Q324 CarbonylContact O-C 3.44Å; L302-Q324 VanDerWaalsContact O-CA 3.29Å; L302-Q324 WeakPolarHBondContact O-CA 3.35Å; L302-Q324 PolarHBondContact O-N 3.16Å; T303-Q324 HydrophobicContact CG2-CB 4.35Å; Q324-R326 PolarHBondContact O-N 3.25Å; Q324-N346 PolarHBondContact N-OD1 3.19Å; Q324-Y347 HydrophobicContact CB-CD2 4.13Å; Q324-Y347 HydrophobicContact CB-CE2 3.84Å; Q324-Y347 HydrophobicContact CG-CE2 4.03Å
325L98.7Very high98.4Very high0 Ų043.8 Ų43.80%022%0.215CC..  trans-69.9127.1-175.5-59.9174.8000110.6L302 L305 L320 N323 V343 N346 Y347 L348L302-L325 HydrophobicContact CB-CD2 4.1Å; L302-L325 PolarHBondContact O-N 2.89Å; L305-L325 HydrophobicContact CG-CD2 4.49Å; L320-L325 HydrophobicContact CB-CD1 3.95Å; L320-L325 HydrophobicContact CD1-CD1 4.02Å; L320-L325 HydrophobicContact CG-CD1 4.44Å; N323-L325 HydrophobicContact CB-CG 4.25Å; L325-V343 HydrophobicContact CD1-CG1 3.84Å; L325-N346 HydrophobicContact CB-CB 4.31Å; L325-N346 WeakPolarHBondContact CB-OD1 3.21Å; L325-N346 WeakPolarHBondContact CG-OD1 3.19Å; L325-N346 PolarHBondContact N-OD1 2.96Å; L325-Y347 CarbonylContact O-C 3.49Å; L325-Y347 VanDerWaalsContact O-C 3.23Å; L325-Y347 WeakPolarHBondContact O-CA 3.18Å; L325-Y347 PolarHBondContact O-N 2.86Å; L325-L348 HydrophobicContact CB-CD2 4.18Å; L325-L348 PolarHBondContact O-N 3.28Å
326R98.4Very high98.3Very high187 Ų18747.9 Ų47.971%0.70623%0.233SC*.  trans-97.5-20176.2-63.7-177.8-179-168.1-0.4113.8Q324Q324-R326 PolarHBondContact O-N 3.25Å
327M97.8Very high98.3Very high112 Ų11248.3 Ų48.355%0.55224%0.235SC*.  trans-156153.5177.558.6-179.660.200110.4L348M327-L348 VanDerWaalsContact CA-CD2 3.49Å
328L98.2Very high98.3Very high7 Ų744.4 Ų44.44%0.03722%0.216CC..  trans-93.7141.3160.2-63176.2000108.8L305 L341 V343 L348 L351 P352L305-L328 HydrophobicContact CD1-CD2 3.91Å; L328-L341 HydrophobicContact CD1-CD2 4.35Å; L328-V343 HydrophobicContact CD1-CG2 4.31Å; L328-V343 HydrophobicContact CD2-CG1 4.19Å; L328-L348 HydrophobicContact CG-CD1 4.35Å; L328-L348 HydrophobicContact CG-CD2 4.38Å; L328-L351 HydrophobicContact CD1-CD2 4.15Å; L328-P352 HydrophobicContact CB-CG 4.11Å
329P97.5Very high98.3Very high38 Ų3847.5 Ų47.525%0.24723%0.231CC..  trans-72.1153.8176.731.5-36.2000111.7L305 V309 D331 I332L305-P329 HydrophobicContact CB-CG 4.29Å; L305-P329 HydrophobicContact CD1-CG 4.49Å; V309-P329 HydrophobicContact CB-CG 4.45Å; V309-P329 HydrophobicContact CG1-CB 4.31Å; V309-P329 HydrophobicContact CG1-CG 3.39Å; P329-D331 PolarHBondContact O-N 3.42Å; P329-I332 WeakPolarHBondContact O-CB 3.37Å; P329-I332 WeakPolarHBondContact O-CG2 3.24Å; P329-I332 PolarHBondContact O-N 3.01Å; P329-I332 VanDerWaalsContact O-N 3.1Å
330D97.4Very high98.3Very high108 Ų10848.5 Ų48.558%0.57824%0.235SC*.G310 helixtrans-62.4-28.8-179.2-69-37.8000113.1I332 D333 P352 S354D330-I332 PolarHBondContact O-N 3.24Å; D330-I332 VanDerWaalsContact O-N 3.07Å; D330-D333 PolarHBondContact O-N 2.88Å; D330-P352 WeakPolarHBondContact OD1-CB 3.39Å; D330-S354 VanDerWaalsContact O-CB 3.3Å; D330-S354 WeakPolarHBondContact O-CB 3.41Å; D330-S354 PolarHBondContact O-OG 3.2Å
331D97.5Very high98.3Very high72 Ų7248.5 Ų48.539%0.38524%0.235SC..G310 helixtrans-68.7-0.2176.7-78.5-15.2000114V309 P329 D333 K334V309-D331 HydrophobicContact CG1-CB 4.23Å; P329-D331 PolarHBondContact O-N 3.42Å; D331-D333 PolarHBondContact O-N 2.98Å; D331-D333 VanDerWaalsContact O-N 3.15Å; D331-K334 HydrophobicContact CB-CG 4.44Å; D331-K334 WeakPolarHBondContact O-CB 3.11Å; D331-K334 WeakPolarHBondContact O-CG 3.49Å; D331-K334 PolarHBondContact O-N 2.68Å
332I98Very high98.3Very high0 Ų049.5 Ų49.50%024%0.24CC..G310 helixtrans-56.3-28171-161.669.3000111.1L318 P329 D330 K334 L335 P352 L358L318-I332 HydrophobicContact CD2-CD1 4.49Å; P329-I332 WeakPolarHBondContact O-CB 3.37Å; P329-I332 WeakPolarHBondContact O-CG2 3.24Å; P329-I332 PolarHBondContact O-N 3.01Å; P329-I332 VanDerWaalsContact O-N 3.1Å; D330-I332 PolarHBondContact O-N 3.24Å; D330-I332 VanDerWaalsContact O-N 3.07Å; I332-K334 PolarHBondContact O-N 2.88Å; I332-K334 VanDerWaalsContact O-N 3.12Å; I332-L335 HydrophobicContact CD1-CD1 4.43Å; I332-L335 HydrophobicContact CD1-CD2 3.88Å; I332-L335 PolarHBondContact O-N 3.1Å; I332-L335 VanDerWaalsContact O-N 3.15Å; I332-P352 HydrophobicContact CG2-CG 3.87Å; I332-L358 WeakPolarHBondContact O-CD2 3.3Å
333D97.9Very high98.3Very high20 Ų2047.3 Ų47.311%0.10723%0.226CC..G310 helixtrans-60.6-20175.477-26.8000113.9D330 D331 L335 Q336 S354 N357D330-D333 PolarHBondContact O-N 2.88Å; D331-D333 PolarHBondContact O-N 2.98Å; D331-D333 VanDerWaalsContact O-N 3.15Å; D333-L335 PolarHBondContact O-N 3.07Å; D333-Q336 PolarHBondContact O-NE2 2.96Å; D333-S354 WeakPolarHBondContact CB-O 3.47Å; D333-N357 HydrophobicContact CB-CB 3.87Å
334K98.3Very high98.3Very high82 Ų8247.7 Ų47.736%0.35723%0.229SC..G310 helixtrans-75.7-12.4179.5-51.1-52.8175.2-134.10112.9G310 D331 I332 Q336G310-K334 VanDerWaalsContact O-CB 3.25Å; G310-K334 WeakPolarHBondContact O-CB 3.46Å; D331-K334 HydrophobicContact CB-CG 4.44Å; D331-K334 WeakPolarHBondContact O-CB 3.11Å; D331-K334 WeakPolarHBondContact O-CG 3.49Å; D331-K334 PolarHBondContact O-N 2.68Å; I332-K334 PolarHBondContact O-N 2.88Å; I332-K334 VanDerWaalsContact O-N 3.12Å; K334-Q336 PolarHBondContact O-N 2.77Å
335L98.4Very high98.3Very high0 Ų046.8 Ų46.80%023%0.227CC..  trans-79.159.9177.3-72.862.9000110.4V309 W312 L318 I332 D333 N337 L338 L358V309-L335 HydrophobicContact CG2-CD1 4.48Å; V309-L335 WeakPolarHBondContact O-CD1 3.23Å; W312-L335 HydrophobicContact CB-CD2 4.48Å; W312-L335 HydrophobicContact CB-CG 4.31Å; L318-L335 HydrophobicContact CD2-CD2 4.01Å; I332-L335 HydrophobicContact CD1-CD1 4.43Å; I332-L335 HydrophobicContact CD1-CD2 3.88Å; I332-L335 PolarHBondContact O-N 3.1Å; I332-L335 VanDerWaalsContact O-N 3.15Å; D333-L335 PolarHBondContact O-N 3.07Å; L335-N337 PolarHBondContact O-N 3.24Å; L335-L338 HydrophobicContact CB-CB 4.1Å; L335-L338 HydrophobicContact CB-CD2 4.38Å; L335-L338 HydrophobicContact CD2-CD2 4.25Å; L335-L338 WeakPolarHBondContact O-CB 3.41Å; L335-L338 PolarHBondContact O-N 2.93Å; L335-L358 HydrophobicContact CB-CD2 4.21Å; L335-L358 VanDerWaalsContact O-CD2 3.28Å; L335-L358 WeakPolarHBondContact O-CD2 3.41Å
336Q98.1Very high98.3Very high86 Ų8647 Ų4740%0.40223%0.228SC..THydrogen-bonded Turntrans-66.2-10.8-172.1-70.4-69.6-45.400114.6D333 K334 N357 K360D333-Q336 PolarHBondContact O-NE2 2.96Å; K334-Q336 PolarHBondContact O-N 2.77Å; Q336-N357 PolarHBondContact NE2-O 2.95Å; Q336-K360 WeakPolarHBondContact O-CD 3.15Å
337N98.4Very high98.3Very high50 Ų5043.3 Ų43.327%0.26722%0.215SC..THydrogen-bonded Turntrans-94.1-4.8173.1-72.5-45.3000114R313 V315 V316 L335 E339 K360R313-N337 WeakPolarHBondContact O-CB 3.41Å; R313-N337 PolarHBondContact O-ND2 3.09Å; V315-N337 CarbonylContact O-C 3.22Å; V316-N337 HydrophobicContact CG2-CB 4.48Å; L335-N337 PolarHBondContact O-N 3.24Å; N337-E339 PolarHBondContact O-N 2.76Å; N337-K360 PolarHBondContact OD1-NZ 3.44Å
338L98.8Very high98.4Very high0 Ų038 Ų380%019%0.189CC..  trans-66.7122.9-174.3-161.968.4000111V315 L318 L335 M340 L341 L358 K360 L361V315-L338 HydrophobicContact CG1-CD1 3.86Å; V315-L338 WeakPolarHBondContact O-CA 3.37Å; V315-L338 PolarHBondContact O-N 2.64Å; L318-L338 HydrophobicContact CB-CD1 3.71Å; L335-L338 HydrophobicContact CB-CB 4.1Å; L335-L338 HydrophobicContact CB-CD2 4.38Å; L335-L338 HydrophobicContact CD2-CD2 4.25Å; L335-L338 WeakPolarHBondContact O-CB 3.41Å; L335-L338 PolarHBondContact O-N 2.93Å; L338-M340 WeakPolarHBondContact CD1-O 3.45Å; L338-L341 HydrophobicContact CD2-CB 3.85Å; L338-L341 HydrophobicContact CD2-CD1 4.23Å; L338-L341 HydrophobicContact CD2-CD2 4.18Å; L338-L341 HydrophobicContact CD2-CG 4.3Å; L338-L341 HydrophobicContact CG-CB 4.49Å; L338-L358 HydrophobicContact CB-CD2 4.32Å; L338-L358 HydrophobicContact CD2-CD1 4.08Å; L338-L358 HydrophobicContact CD2-CD2 4.44Å; L338-K360 CarbonylContact O-C 3.57Å; L338-K360 VanDerWaalsContact O-C 3.26Å; L338-L361 HydrophobicContact CD2-CD1 4.21Å; L338-L361 HydrophobicContact CG-CD1 4.05Å; L338-L361 WeakPolarHBondContact O-CA 3.47Å; L338-L361 PolarHBondContact O-N 3.17Å; L338-L361 VanDerWaalsContact O-N 3.17Å
339E98.9Very high98.4Very high65 Ų6542.8 Ų42.830%0.30421%0.21SC..  trans-108.4-28.1175.7-65.1-166.3171.600111.8V316 N337 K360 K362 E363V316-E339 HydrophobicContact CG1-CB 3.91Å; V316-E339 HydrophobicContact CG1-CG 3.85Å; V316-E339 PolarHBondContact O-N 2.94Å; N337-E339 PolarHBondContact O-N 2.76Å; E339-K360 HydrophobicContact CG-CB 4.21Å; E339-K362 HydrophobicContact CB-CD 4.41Å; E339-K362 WeakPolarHBondContact O-CA 3.38Å; E339-K362 PolarHBondContact O-N 3.15Å; E339-K362 IonicContact OE1-NZ 2.82Å; E339-K362 PolarHBondContact OE1-NZ 3.04Å; E339-K362 VanDerWaalsContact OE1-NZ 3.17Å; E339-K362 WeakPolarHBondContact OE2-CE 3.3Å; E339-K362 IonicContact OE2-NZ 3.22Å; E339-K362 PolarHBondContact OE2-NZ 3.31Å; E339-E363 PolarHBondContact O-N 3.28Å
340M98.9Very high98.4Very high51 Ų5149.1 Ų49.125%0.25123%0.228SC..EExtended strand (participates in β ladder)trans-133.2121.4-179.8-176.5-178.8-69.400110.4V316 E317 L318 L338 I342 E363V316-M340 PolarHBondContact O-N 2.98Å; E317-M340 HydrophobicContact CB-CB 4.46Å; E317-M340 HydrophobicContact CG-CB 4.15Å; L318-M340 PolarHBondContact N-O 3.12Å; L338-M340 WeakPolarHBondContact CD1-O 3.45Å; M340-I342 HydrophobicContact CG-CD1 4.1Å; M340-I342 HydrophobicContact CG-CG1 3.86Å; M340-I342 HydrophobicContact SD-CD1 3.77Å; M340-I342 HydrophobicContact SD-CG1 4.22Å; M340-E363 WeakPolarHBondContact CA-O 3.35Å; M340-E363 HydrophobicContact CG-CB 4.24Å; M340-E363 HydrophobicContact CG-CG 4.45Å
341L98.9Very high98.5Very high0 Ų044.2 Ų44.20%020%0.202CC..EExtended strand (participates in β ladder)trans-123.7110.8174.7179.154.9000109.1L318 L328 L338 V343 L358 L361 E363 L364 D365L318-L341 HydrophobicContact CB-CD1 4.14Å; L318-L341 HydrophobicContact CD2-CD1 3.99Å; L318-L341 HydrophobicContact CG-CD1 4.09Å; L328-L341 HydrophobicContact CD1-CD2 4.35Å; L338-L341 HydrophobicContact CD2-CB 3.85Å; L338-L341 HydrophobicContact CD2-CD1 4.23Å; L338-L341 HydrophobicContact CD2-CD2 4.18Å; L338-L341 HydrophobicContact CD2-CG 4.3Å; L338-L341 HydrophobicContact CG-CB 4.49Å; L341-V343 HydrophobicContact CD1-CG2 3.57Å; L341-V343 HydrophobicContact CD2-CG2 4.28Å; L341-V343 HydrophobicContact CG-CG2 3.62Å; L341-L358 HydrophobicContact CD2-CD1 4.36Å; L341-L361 HydrophobicContact CB-CD1 3.86Å; L341-E363 PolarHBondContact N-O 3Å; L341-L364 HydrophobicContact CB-CD1 4.04Å; L341-L364 HydrophobicContact CD2-CD1 3.91Å; L341-L364 HydrophobicContact CG-CD1 3.99Å; L341-L364 WeakPolarHBondContact O-CA 3.43Å; L341-D365 PolarHBondContact O-N 3.04Å
342I98.9Very high98.5Very high27 Ų2741.1 Ų41.114%0.13819%0.186CC..EExtended strand (participates in β ladder)trans-111.6113.5179.6-51.1179.2000108.4L318 N319 L320 S321 M340 D365L318-I342 PolarHBondContact O-N 3.15Å; N319-I342 HydrophobicContact CB-CB 4.33Å; N319-I342 HydrophobicContact CB-CD1 4.48Å; L320-I342 WeakPolarHBondContact CA-O 3.43Å; L320-I342 PolarHBondContact N-O 2.94Å; S321-I342 PolarHBondContact N-O 3.15Å; M340-I342 HydrophobicContact CG-CD1 4.1Å; M340-I342 HydrophobicContact CG-CG1 3.86Å; M340-I342 HydrophobicContact SD-CD1 3.77Å; M340-I342 HydrophobicContact SD-CG1 4.22Å; I342-D365 HydrophobicContact CB-CB 4.41Å; I342-D365 HydrophobicContact CG1-CB 4.43Å; I342-D365 HydrophobicContact CG2-CB 4.03Å; I342-D365 WeakPolarHBondContact CG2-OD2 3.27Å
343V98.7Very high98.5Very high0 Ų044.2 Ų44.20%021%0.206CC..  trans-133.523.1-178.4-146.40000111L320 L325 L328 L341 N346 L348 D365 L366 N369L320-V343 HydrophobicContact CB-CG1 4.1Å; L320-V343 HydrophobicContact CD1-CG1 4.5Å; L325-V343 HydrophobicContact CD1-CG1 3.84Å; L328-V343 HydrophobicContact CD1-CG2 4.31Å; L328-V343 HydrophobicContact CD2-CG1 4.19Å; L341-V343 HydrophobicContact CD1-CG2 3.57Å; L341-V343 HydrophobicContact CD2-CG2 4.28Å; L341-V343 HydrophobicContact CG-CG2 3.62Å; V343-N346 PolarHBondContact O-ND2 3.25Å; V343-N346 VanDerWaalsContact O-ND2 3.11Å; V343-L348 HydrophobicContact CB-CD1 4.19Å; V343-L348 HydrophobicContact CG1-CD1 3.88Å; V343-D365 PolarHBondContact N-O 2.75Å; V343-L366 HydrophobicContact CB-CD2 4.17Å; V343-L366 HydrophobicContact CG2-CD2 4.29Å; V343-N369 PolarHBondContact O-ND2 2.68Å
344S98.8Very high98.5Very high16 Ų1644.1 Ų44.111%0.11221%0.207CC..  trans-61.4157177.238.90000112.9S321 T322 N346 D365 E367S321-S344 CarbonylContact C-O 3.09Å; S321-S344 WeakPolarHBondContact CA-O 3.42Å; S321-S344 WeakPolarHBondContact CB-O 3.28Å; S321-S344 WeakPolarHBondContact CB-OG 3.17Å; T322-S344 PolarHBondContact N-O 3.21Å; S344-N346 PolarHBondContact O-ND2 3.27Å; S344-N346 VanDerWaalsContact O-ND2 3.11Å; S344-D365 WeakPolarHBondContact CB-OD1 3.3Å; S344-D365 WeakPolarHBondContact CB-OD2 3.38Å; S344-D365 PolarHBondContact N-O 3.02Å; S344-D365 PolarHBondContact OG-OD2 3.27Å; S344-E367 CarbonylContact C-O 3.1Å; S344-E367 WeakPolarHBondContact CA-O 3.44Å; S344-E367 VanDerWaalsContact CB-O 3.24Å; S344-E367 WeakPolarHBondContact CB-O 3.25Å
345N98.7Very high98.6Very high61 Ų6140.2 Ų40.233%0.32619%0.19SC..SBendtrans53.162.4-179.4-168.617.1000112.3T322 N323 E367 E368T322-N345 WeakPolarHBondContact CA-O 3.43Å; T322-N345 PolarHBondContact N-O 3.01Å; T322-N345 PolarHBondContact OG1-ND2 2.78Å; N323-N345 PolarHBondContact N-O 2.68Å; N345-E367 PolarHBondContact N-O 2.99Å; N345-E368 WeakPolarHBondContact CA-O 3.4Å; N345-E368 HydrophobicContact CB-CB 4.19Å; N345-E368 PolarHBondContact N-O 3.04Å
346N98.8Very high98.5Very high4 Ų440.2 Ų40.22%0.02119%0.19CC..SBendtrans-138.1-170.9177.2-86.7-83.9000109.1L320 N323 Q324 L325 V343 S344 L348 E368 N369L320-N346 PolarHBondContact O-ND2 3.05Å; N323-N346 WeakPolarHBondContact CA-OD1 3.39Å; N323-N346 WeakPolarHBondContact CB-OD1 3.14Å; N323-N346 PolarHBondContact O-OD1 3.17Å; Q324-N346 PolarHBondContact N-OD1 3.19Å; L325-N346 HydrophobicContact CB-CB 4.31Å; L325-N346 WeakPolarHBondContact CB-OD1 3.21Å; L325-N346 WeakPolarHBondContact CG-OD1 3.19Å; L325-N346 PolarHBondContact N-OD1 2.96Å; V343-N346 PolarHBondContact O-ND2 3.25Å; V343-N346 VanDerWaalsContact O-ND2 3.11Å; S344-N346 PolarHBondContact O-ND2 3.27Å; S344-N346 VanDerWaalsContact O-ND2 3.11Å; N346-L348 HydrophobicContact CB-CG 4.34Å; N346-E368 PolarHBondContact N-O 3.42Å; N346-E368 VanDerWaalsContact N-O 3.16Å; N346-N369 WeakPolarHBondContact CA-OD1 3.49Å; N346-N369 WeakPolarHBondContact CB-OD1 3.48Å; N346-N369 PolarHBondContact O-OD1 3.33Å
347Y98.6Very high98.6Very high110 Ų11039.1 Ų39.143%0.43119%0.187SC..  trans-112.531.4-179.2-53.3-59.4000112.3Q324 L325 K349Q324-Y347 HydrophobicContact CB-CD2 4.13Å; Q324-Y347 HydrophobicContact CB-CE2 3.84Å; Q324-Y347 HydrophobicContact CG-CE2 4.03Å; L325-Y347 CarbonylContact O-C 3.49Å; L325-Y347 VanDerWaalsContact O-C 3.23Å; L325-Y347 WeakPolarHBondContact O-CA 3.18Å; L325-Y347 PolarHBondContact O-N 2.86Å; Y347-K349 PolarHBondContact O-N 3.35Å
348L98.7Very high98.6Very high0 Ų036.8 Ų36.80%018%0.175CC..  trans-69.1123-177.4-59.4179.8000110.4L325 M327 L328 V343 N346 L351 L366 N369 E370 L371L325-L348 HydrophobicContact CB-CD2 4.18Å; L325-L348 PolarHBondContact O-N 3.28Å; M327-L348 VanDerWaalsContact CA-CD2 3.49Å; L328-L348 HydrophobicContact CG-CD1 4.35Å; L328-L348 HydrophobicContact CG-CD2 4.38Å; V343-L348 HydrophobicContact CB-CD1 4.19Å; V343-L348 HydrophobicContact CG1-CD1 3.88Å; N346-L348 HydrophobicContact CB-CG 4.34Å; L348-L351 HydrophobicContact CD1-CD2 4.31Å; L348-L366 HydrophobicContact CD1-CD2 4.06Å; L348-N369 HydrophobicContact CB-CB 4.31Å; L348-N369 VanDerWaalsContact CB-OD1 3.23Å; L348-N369 WeakPolarHBondContact CB-OD1 3.37Å; L348-N369 VanDerWaalsContact CG-OD1 3.25Å; L348-N369 WeakPolarHBondContact CG-OD1 3.31Å; L348-N369 PolarHBondContact N-OD1 3.11Å; L348-E370 CarbonylContact O-C 3.49Å; L348-E370 VanDerWaalsContact O-CA 3.27Å; L348-E370 WeakPolarHBondContact O-CA 3.28Å; L348-E370 PolarHBondContact O-N 3.25Å; L348-L371 HydrophobicContact CB-CD2 4Å; L348-L371 PolarHBondContact O-N 3.11Å
349K98.4Very high98.5Very high109 Ų10940.5 Ų40.547%0.47419%0.191SC..SBendtrans-90.4-24.9172.9-65.8-168.2174.9-163.60114.3Y347 E370 L371 E372Y347-K349 PolarHBondContact O-N 3.35Å; K349-E370 WeakPolarHBondContact CA-O 3.24Å; K349-E370 HydrophobicContact CG-CB 4.16Å; K349-L371 WeakPolarHBondContact O-CA 3.32Å; K349-E372 PolarHBondContact O-N 3.16Å; K349-E372 VanDerWaalsContact O-N 3.11Å
350R98.2Very high98.5Very high170 Ų17041.7 Ų41.764%0.64220%0.195SC*.  trans-153.1157.2179.561.9-179.7175.8-176.2-0.2109.8
351L98.3Very high98.5Very high5 Ų539.3 Ų39.33%0.02618%0.183CC..  trans-93.8149.1162.8-60.3175000110.1L328 L348 V355 L366 L371 L374 P375 I378L328-L351 HydrophobicContact CD1-CD2 4.15Å; L348-L351 HydrophobicContact CD1-CD2 4.31Å; L351-V355 HydrophobicContact CB-CG1 4.26Å; L351-V355 HydrophobicContact CD1-CG1 4.29Å; L351-L366 HydrophobicContact CD1-CD1 3.47Å; L351-L366 VanDerWaalsContact CD1-CD1 3.47Å; L351-L366 HydrophobicContact CD2-CD1 4.01Å; L351-L366 HydrophobicContact CD2-CD2 3.74Å; L351-L366 HydrophobicContact CG-CD1 4.16Å; L351-L371 HydrophobicContact CD2-CD2 4.5Å; L351-L371 HydrophobicContact CG-CD2 4.27Å; L351-L374 HydrophobicContact CD1-CD2 4.13Å; L351-P375 HydrophobicContact CB-CG 4.03Å; L351-I378 HydrophobicContact CD1-CD1 4.49Å
352P98.1Very high98.5Very high8 Ų843.3 Ų43.35%0.05220%0.201CC..  trans-65.5138167.129.3-34.5000109.6L328 D330 I332 S354 V355L328-P352 HydrophobicContact CB-CG 4.11Å; D330-P352 WeakPolarHBondContact OD1-CB 3.39Å; I332-P352 HydrophobicContact CG2-CG 3.87Å; P352-S354 PolarHBondContact O-N 2.83Å; P352-V355 WeakPolarHBondContact O-CB 3.18Å; P352-V355 VanDerWaalsContact O-CG1 3.27Å; P352-V355 WeakPolarHBondContact O-CG1 3.44Å; P352-V355 PolarHBondContact O-N 2.99Å
353P98.5Very high98.5Very high65 Ų6543.8 Ų43.842%0.42220%0.202SC..G310 helixtrans-53.1-29.4174.8-29.437000113.5V355 G356 E377P353-V355 PolarHBondContact O-N 2.79Å; P353-V355 VanDerWaalsContact O-N 3.1Å; P353-G356 PolarHBondContact O-N 3.2Å; P353-E377 HydrophobicContact CB-CG 4.09Å; P353-E377 WeakPolarHBondContact O-CB 3.11Å
354S98.2Very high98.5Very high18 Ų1843.8 Ų43.813%0.12620%0.202CC..G310 helixtrans-61.3-17.4178.6740000113.7D330 D333 P352 G356 N357D330-S354 VanDerWaalsContact O-CB 3.3Å; D330-S354 WeakPolarHBondContact O-CB 3.41Å; D330-S354 PolarHBondContact O-OG 3.2Å; D333-S354 WeakPolarHBondContact CB-O 3.47Å; P352-S354 PolarHBondContact O-N 2.83Å; S354-G356 PolarHBondContact O-N 3.44Å; S354-G356 VanDerWaalsContact O-N 3.15Å; S354-N357 VanDerWaalsContact O-CB 3.3Å; S354-N357 WeakPolarHBondContact O-CB 3.4Å; S354-N357 PolarHBondContact O-N 2.81Å
355V98.4Very high98.5Very high0 Ų043.8 Ų43.80%020%0.201CC..G310 helixtrans-55.2-32.6173.476.50000112L351 P352 P353 N357 L358 P375 I378 L381L351-V355 HydrophobicContact CB-CG1 4.26Å; L351-V355 HydrophobicContact CD1-CG1 4.29Å; P352-V355 WeakPolarHBondContact O-CB 3.18Å; P352-V355 VanDerWaalsContact O-CG1 3.27Å; P352-V355 WeakPolarHBondContact O-CG1 3.44Å; P352-V355 PolarHBondContact O-N 2.99Å; P353-V355 PolarHBondContact O-N 2.79Å; P353-V355 VanDerWaalsContact O-N 3.1Å; V355-N357 PolarHBondContact O-N 2.79Å; V355-L358 HydrophobicContact CG2-CD1 3.91Å; V355-L358 WeakPolarHBondContact O-CB 3.15Å; V355-L358 WeakPolarHBondContact O-CG 3.5Å; V355-L358 PolarHBondContact O-N 3.01Å; V355-L358 VanDerWaalsContact O-N 3.11Å; V355-P375 HydrophobicContact CG1-CG 4.16Å; V355-I378 HydrophobicContact CG1-CD1 4.38Å; V355-L381 WeakPolarHBondContact O-CD2 3.4Å
356G98.2Very high98.5Very high0 Ų040.9 Ų40.90%019%0.185CC..G310 helixtrans-63.1-11176.500000114.8P353 S354 K359 E377 F380P353-G356 PolarHBondContact O-N 3.2Å; S354-G356 PolarHBondContact O-N 3.44Å; S354-G356 VanDerWaalsContact O-N 3.15Å; G356-K359 PolarHBondContact O-NZ 2.95Å; G356-E377 WeakPolarHBondContact CA-O 3.35Å; G356-F380 VanDerWaalsContact O-CB 3.3Å; G356-F380 WeakPolarHBondContact O-CB 3.49Å
357N98.3Very high98.5Very high63 Ų6342.7 Ų42.734%0.33719%0.194SC..G310 helixtrans-88.7-2.2177.1-66.6-26.6000113.6D333 Q336 S354 V355 K359D333-N357 HydrophobicContact CB-CB 3.87Å; Q336-N357 PolarHBondContact NE2-O 2.95Å; S354-N357 VanDerWaalsContact O-CB 3.3Å; S354-N357 WeakPolarHBondContact O-CB 3.4Å; S354-N357 PolarHBondContact O-N 2.81Å; V355-N357 PolarHBondContact O-N 2.79Å; N357-K359 VanDerWaalsContact C-N 3.27Å; N357-K359 PolarHBondContact O-N 2.79Å
358L98.6Very high98.5Very high1 Ų142.6 Ų42.61%0.00520%0.197CC..  trans-77.372.1175.6-64.6173.3000111.3I332 L335 L338 L341 V355 K360 L361 L381I332-L358 WeakPolarHBondContact O-CD2 3.3Å; L335-L358 HydrophobicContact CB-CD2 4.21Å; L335-L358 VanDerWaalsContact O-CD2 3.28Å; L335-L358 WeakPolarHBondContact O-CD2 3.41Å; L338-L358 HydrophobicContact CB-CD2 4.32Å; L338-L358 HydrophobicContact CD2-CD1 4.08Å; L338-L358 HydrophobicContact CD2-CD2 4.44Å; L341-L358 HydrophobicContact CD2-CD1 4.36Å; V355-L358 HydrophobicContact CG2-CD1 3.91Å; V355-L358 WeakPolarHBondContact O-CB 3.15Å; V355-L358 WeakPolarHBondContact O-CG 3.5Å; V355-L358 PolarHBondContact O-N 3.01Å; V355-L358 VanDerWaalsContact O-N 3.11Å; L358-K360 PolarHBondContact O-N 3.01Å; L358-L361 HydrophobicContact CB-CB 4Å; L358-L361 HydrophobicContact CB-CD2 4.39Å; L358-L361 HydrophobicContact CD1-CD2 4.15Å; L358-L361 VanDerWaalsContact O-CB 3.27Å; L358-L361 WeakPolarHBondContact O-CB 3.27Å; L358-L361 PolarHBondContact O-N 2.95Å; L358-L381 HydrophobicContact CB-CD2 4.05Å; L358-L381 VanDerWaalsContact O-CD2 3.28Å; L358-L381 WeakPolarHBondContact O-CD2 3.49Å
359K97.7Very high98.5Very high77 Ų7743.1 Ų43.134%0.33520%0.2SC..THydrogen-bonded Turntrans-63-18-169-57-52.6179.4-165.70115.3G356 N357 F380 N383G356-K359 PolarHBondContact O-NZ 2.95Å; N357-K359 VanDerWaalsContact C-N 3.27Å; N357-K359 PolarHBondContact O-N 2.79Å; K359-F380 PolarHBondContact NZ-O 3.1Å; K359-N383 PolarHBondContact O-ND2 3.42Å
360K98.6Very high98.5Very high91 Ų9140.5 Ų40.540%0.39619%0.189SC..THydrogen-bonded Turntrans-94.4-4.5176.7-63.9-165.8-170174.50114Q336 N337 L338 E339 L358 K362Q336-K360 WeakPolarHBondContact O-CD 3.15Å; N337-K360 PolarHBondContact OD1-NZ 3.44Å; L338-K360 CarbonylContact O-C 3.57Å; L338-K360 VanDerWaalsContact O-C 3.26Å; E339-K360 HydrophobicContact CG-CB 4.21Å; L358-K360 PolarHBondContact O-N 3.01Å; K360-K362 PolarHBondContact O-N 3.06Å
361L98.8Very high98.5Very high0 Ų032.4 Ų32.40%016%0.159CC..  trans-62.9125.5-174.6-158.669.6000110.7L338 L341 L358 L364 L381 N383 L384L338-L361 HydrophobicContact CD2-CD1 4.21Å; L338-L361 HydrophobicContact CG-CD1 4.05Å; L338-L361 WeakPolarHBondContact O-CA 3.47Å; L338-L361 PolarHBondContact O-N 3.17Å; L338-L361 VanDerWaalsContact O-N 3.17Å; L341-L361 HydrophobicContact CB-CD1 3.86Å; L358-L361 HydrophobicContact CB-CB 4Å; L358-L361 HydrophobicContact CB-CD2 4.39Å; L358-L361 HydrophobicContact CD1-CD2 4.15Å; L358-L361 VanDerWaalsContact O-CB 3.27Å; L358-L361 WeakPolarHBondContact O-CB 3.27Å; L358-L361 PolarHBondContact O-N 2.95Å; L361-L364 HydrophobicContact CD2-CB 3.94Å; L361-L364 HydrophobicContact CD2-CD1 4.32Å; L361-L364 HydrophobicContact CD2-CD2 4.31Å; L361-L364 HydrophobicContact CD2-CG 4.42Å; L361-L381 HydrophobicContact CB-CD2 4.21Å; L361-L381 HydrophobicContact CD2-CD1 4.02Å; L361-L381 HydrophobicContact CD2-CD2 4.36Å; L361-N383 CarbonylContact O-C 3.12Å; L361-N383 VanDerWaalsContact O-C 3.25Å; L361-L384 HydrophobicContact CB-CD1 4.35Å; L361-L384 HydrophobicContact CD2-CD1 4.09Å; L361-L384 HydrophobicContact CG-CD1 3.98Å; L361-L384 WeakPolarHBondContact O-CA 3.27Å; L361-L384 PolarHBondContact O-N 2.97Å
362K98.9Very high98.5Very high85 Ų8537.3 Ų37.337%0.3718%0.182SC..  trans-110.6-30.2179.3-68.2173.7-170.61630111.6E339 K360 N385 K386E339-K362 HydrophobicContact CB-CD 4.41Å; E339-K362 WeakPolarHBondContact O-CA 3.38Å; E339-K362 PolarHBondContact O-N 3.15Å; E339-K362 IonicContact OE1-NZ 2.82Å; E339-K362 PolarHBondContact OE1-NZ 3.04Å; E339-K362 VanDerWaalsContact OE1-NZ 3.17Å; E339-K362 WeakPolarHBondContact OE2-CE 3.3Å; E339-K362 IonicContact OE2-NZ 3.22Å; E339-K362 PolarHBondContact OE2-NZ 3.31Å; K360-K362 PolarHBondContact O-N 3.06Å; K362-N385 WeakPolarHBondContact O-CA 3.39Å; K362-N385 WeakPolarHBondContact O-CB 3.44Å; K362-N385 PolarHBondContact O-N 3.18Å; K362-K386 PolarHBondContact O-N 3.05Å
363E98.9Very high98.5Very high37 Ų3740.6 Ų40.617%0.17320%0.201CC..EExtended strand (participates in β ladder)trans-136.3123.5-179.2-175.8155.3167.200109.9E339 M340 L341 K386E339-E363 PolarHBondContact O-N 3.28Å; M340-E363 WeakPolarHBondContact CA-O 3.35Å; M340-E363 HydrophobicContact CG-CB 4.24Å; M340-E363 HydrophobicContact CG-CG 4.45Å; L341-E363 PolarHBondContact N-O 3Å; E363-K386 HydrophobicContact CG-CB 4.14Å; E363-K386 HydrophobicContact CG-CD 4.39Å; E363-K386 IonicContact OE1-NZ 2.68Å; E363-K386 PolarHBondContact OE1-NZ 3.16Å; E363-K386 WeakPolarHBondContact OE2-CE 3.43Å; E363-K386 IonicContact OE2-NZ 2.9Å; E363-K386 PolarHBondContact OE2-NZ 3.2Å
364L98.9Very high98.5Very high0 Ų037.6 Ų37.60%018%0.182CC..EExtended strand (participates in β ladder)trans-124.9108.7174.1179.257.3000108.5L341 L361 L366 I378 L381 L384 K386 L387 L388L341-L364 HydrophobicContact CB-CD1 4.04Å; L341-L364 HydrophobicContact CD2-CD1 3.91Å; L341-L364 HydrophobicContact CG-CD1 3.99Å; L341-L364 WeakPolarHBondContact O-CA 3.43Å; L361-L364 HydrophobicContact CD2-CB 3.94Å; L361-L364 HydrophobicContact CD2-CD1 4.32Å; L361-L364 HydrophobicContact CD2-CD2 4.31Å; L361-L364 HydrophobicContact CD2-CG 4.42Å; L364-L366 HydrophobicContact CD1-CD1 4.08Å; L364-L366 HydrophobicContact CD1-CD2 4.14Å; L364-L366 HydrophobicContact CD1-CG 3.94Å; L364-L366 HydrophobicContact CD2-CD1 3.85Å; L364-L366 HydrophobicContact CG-CD1 3.77Å; L364-L366 HydrophobicContact CG-CG 3.96Å; L364-I378 HydrophobicContact CD2-CD1 3.67Å; L364-L381 HydrophobicContact CD2-CD1 4.35Å; L364-L384 HydrophobicContact CB-CD1 3.9Å; L364-L384 HydrophobicContact CB-CD2 4.49Å; L364-K386 PolarHBondContact N-O 3.01Å; L364-L387 HydrophobicContact CB-CD1 4.15Å; L364-L387 HydrophobicContact CD2-CD1 3.9Å; L364-L387 HydrophobicContact CG-CD1 4.11Å; L364-L388 PolarHBondContact O-N 3.11Å
365D98.9Very high98.5Very high16 Ų1637.5 Ų37.59%0.08618%0.181CC..EExtended strand (participates in β ladder)trans-106.8119.1177178.712.9000110.5L341 I342 V343 S344 E367 L388L341-D365 PolarHBondContact O-N 3.04Å; I342-D365 HydrophobicContact CB-CB 4.41Å; I342-D365 HydrophobicContact CG1-CB 4.43Å; I342-D365 HydrophobicContact CG2-CB 4.03Å; I342-D365 WeakPolarHBondContact CG2-OD2 3.27Å; V343-D365 PolarHBondContact N-O 2.75Å; S344-D365 WeakPolarHBondContact CB-OD1 3.3Å; S344-D365 WeakPolarHBondContact CB-OD2 3.38Å; S344-D365 PolarHBondContact N-O 3.02Å; S344-D365 PolarHBondContact OG-OD2 3.27Å; D365-E367 WeakPolarHBondContact OD1-CB 3.16Å; D365-E367 WeakPolarHBondContact OD1-CG 3.38Å; D365-E367 PolarHBondContact OD1-N 2.83Å; D365-L388 HydrophobicContact CB-CB 4.39Å; D365-L388 HydrophobicContact CB-CD1 4.05Å; D365-L388 HydrophobicContact CB-CG 4.46Å
366L98.8Very high98.5Very high0 Ų040.8 Ų40.80%020%0.204CC..  trans-133.217.9-177.8-61.7167000110.8V343 L348 L351 L364 N369 L371 L388 V389 N392V343-L366 HydrophobicContact CB-CD2 4.17Å; V343-L366 HydrophobicContact CG2-CD2 4.29Å; L348-L366 HydrophobicContact CD1-CD2 4.06Å; L351-L366 HydrophobicContact CD1-CD1 3.47Å; L351-L366 VanDerWaalsContact CD1-CD1 3.47Å; L351-L366 HydrophobicContact CD2-CD1 4.01Å; L351-L366 HydrophobicContact CD2-CD2 3.74Å; L351-L366 HydrophobicContact CG-CD1 4.16Å; L364-L366 HydrophobicContact CD1-CD1 4.08Å; L364-L366 HydrophobicContact CD1-CD2 4.14Å; L364-L366 HydrophobicContact CD1-CG 3.94Å; L364-L366 HydrophobicContact CD2-CD1 3.85Å; L364-L366 HydrophobicContact CG-CD1 3.77Å; L364-L366 HydrophobicContact CG-CG 3.96Å; L366-N369 PolarHBondContact O-ND2 2.99Å; L366-N369 VanDerWaalsContact O-ND2 3.15Å; L366-L371 HydrophobicContact CB-CD1 3.93Å; L366-L371 HydrophobicContact CD1-CD1 3.99Å; L366-L371 HydrophobicContact CG-CD1 4.43Å; L366-L388 CarbonylContact C-O 3.47Å; L366-L388 WeakPolarHBondContact CA-O 3.23Å; L366-L388 WeakPolarHBondContact CB-O 3.35Å; L366-L388 PolarHBondContact N-O 3.23Å; L366-V389 HydrophobicContact CB-CG1 4.11Å; L366-V389 HydrophobicContact CD1-CG1 4.05Å; L366-N392 PolarHBondContact O-ND2 2.94Å
367E98.4Very high98.5Very high41 Ų4143.9 Ų43.919%0.19222%0.218CC..  trans-55.3150.9177.5-64.2-174.6155.300110.8S344 N345 D365 N369 L388 Q390 R411S344-E367 CarbonylContact C-O 3.1Å; S344-E367 WeakPolarHBondContact CA-O 3.44Å; S344-E367 VanDerWaalsContact CB-O 3.24Å; S344-E367 WeakPolarHBondContact CB-O 3.25Å; N345-E367 PolarHBondContact N-O 2.99Å; D365-E367 WeakPolarHBondContact OD1-CB 3.16Å; D365-E367 WeakPolarHBondContact OD1-CG 3.38Å; D365-E367 PolarHBondContact OD1-N 2.83Å; E367-N369 PolarHBondContact O-ND2 3.26Å; E367-L388 HydrophobicContact CG-CB 3.61Å; E367-L388 PolarHBondContact N-O 3.21Å; E367-Q390 CarbonylContact C-O 3.29Å; E367-Q390 VanDerWaalsContact CA-O 3.28Å; E367-Q390 WeakPolarHBondContact CA-O 3.28Å; E367-Q390 HydrophobicContact CB-CB 4.34Å; E367-Q390 HydrophobicContact CG-CB 3.77Å; E367-R411 VanDerWaalsContact OE1-CD 3.27Å; E367-R411 WeakPolarHBondContact OE1-CD 3.27Å; E367-R411 IonicContact OE1-NH1 3.96Å; E367-R411 PolarHBondContact OE1-NH1 3.15Å
368E98.4Very high98.5Very high108 Ų10840.9 Ų40.951%0.50520%0.202SC..SBendtrans54.858.5176.7-60.1-178.8-177.500112.9N345 N346 Q390 S391N345-E368 WeakPolarHBondContact CA-O 3.4Å; N345-E368 HydrophobicContact CB-CB 4.19Å; N345-E368 PolarHBondContact N-O 3.04Å; N346-E368 PolarHBondContact N-O 3.42Å; N346-E368 VanDerWaalsContact N-O 3.16Å; E368-Q390 PolarHBondContact N-O 3.21Å; E368-S391 VanDerWaalsContact CA-O 3.31Å; E368-S391 WeakPolarHBondContact CA-O 3.23Å; E368-S391 PolarHBondContact N-O 2.73Å
369N98.8Very high98.5Very high11 Ų1140.8 Ų40.86%0.05920%0.202CC..SBendtrans-128-170.2174-88.5-84.2000110.3V343 N346 L348 L366 E367 L371 S391 N392V343-N369 PolarHBondContact O-ND2 2.68Å; N346-N369 WeakPolarHBondContact CA-OD1 3.49Å; N346-N369 WeakPolarHBondContact CB-OD1 3.48Å; N346-N369 PolarHBondContact O-OD1 3.33Å; L348-N369 HydrophobicContact CB-CB 4.31Å; L348-N369 VanDerWaalsContact CB-OD1 3.23Å; L348-N369 WeakPolarHBondContact CB-OD1 3.37Å; L348-N369 VanDerWaalsContact CG-OD1 3.25Å; L348-N369 WeakPolarHBondContact CG-OD1 3.31Å; L348-N369 PolarHBondContact N-OD1 3.11Å; L366-N369 PolarHBondContact O-ND2 2.99Å; L366-N369 VanDerWaalsContact O-ND2 3.15Å; E367-N369 PolarHBondContact O-ND2 3.26Å; N369-L371 HydrophobicContact CB-CG 4.2Å; N369-S391 PolarHBondContact N-O 2.93Å; N369-N392 WeakPolarHBondContact CA-OD1 3.25Å; N369-N392 WeakPolarHBondContact CB-OD1 3.11Å; N369-N392 PolarHBondContact O-OD1 3.06Å
370E98.5Very high98.5Very high54 Ų5441.1 Ų41.125%0.25220%0.203SC..  trans-110.927.7177-61.7-167.9-151.400112.5L348 K349 E372 K393L348-E370 CarbonylContact O-C 3.49Å; L348-E370 VanDerWaalsContact O-CA 3.27Å; L348-E370 WeakPolarHBondContact O-CA 3.28Å; L348-E370 PolarHBondContact O-N 3.25Å; K349-E370 WeakPolarHBondContact CA-O 3.24Å; K349-E370 HydrophobicContact CG-CB 4.16Å; E370-E372 PolarHBondContact O-N 3.26Å; E370-K393 HydrophobicContact CB-CD 4.28Å; E370-K393 IonicContact OE2-NZ 2.72Å; E370-K393 PolarHBondContact OE2-NZ 2.82Å
371L98.7Very high98.5Very high0 Ų036.8 Ų36.80%019%0.185CC..  trans-63.8119.8-171.9-63.9172.3000110.8L348 K349 L351 L366 N369 L374 N392 K393 L394L348-L371 HydrophobicContact CB-CD2 4Å; L348-L371 PolarHBondContact O-N 3.11Å; K349-L371 WeakPolarHBondContact O-CA 3.32Å; L351-L371 HydrophobicContact CD2-CD2 4.5Å; L351-L371 HydrophobicContact CG-CD2 4.27Å; L366-L371 HydrophobicContact CB-CD1 3.93Å; L366-L371 HydrophobicContact CD1-CD1 3.99Å; L366-L371 HydrophobicContact CG-CD1 4.43Å; N369-L371 HydrophobicContact CB-CG 4.2Å; L371-L374 HydrophobicContact CD1-CD2 4.13Å; L371-N392 HydrophobicContact CB-CB 4.26Å; L371-N392 WeakPolarHBondContact CB-OD1 3.03Å; L371-N392 VanDerWaalsContact CG-OD1 3.26Å; L371-N392 WeakPolarHBondContact CG-OD1 3.26Å; L371-N392 PolarHBondContact N-OD1 2.98Å; L371-K393 CarbonylContact O-C 3.47Å; L371-K393 VanDerWaalsContact O-CA 3.24Å; L371-K393 WeakPolarHBondContact O-CA 3.17Å; L371-K393 WeakPolarHBondContact O-CB 3.46Å; L371-K393 PolarHBondContact O-N 3.46Å; L371-L394 HydrophobicContact CB-CD2 4.01Å; L371-L394 PolarHBondContact O-N 3.21Å; L371-L394 VanDerWaalsContact O-N 3.13Å
372E98Very high98.4Very high108 Ų10841.3 Ų41.351%0.50520%0.204SC..SBendtrans-86.2-30.8176.7-64.5171.9-169.500111.3K349 E370K349-E372 PolarHBondContact O-N 3.16Å; K349-E372 VanDerWaalsContact O-N 3.11Å; E370-E372 PolarHBondContact O-N 3.26Å
373V97.9Very high98.4Very high77 Ų7741.2 Ų41.247%0.46721%0.208SC..  trans-151.6148.9179.968.70000111
374L98.4Very high98.4Very high2 Ų239.5 Ų39.51%0.0120%0.2CC..  trans-92.8134.3164.4-63.4176.9000109.8L351 L371 L387 V389 L394 L397 P398L351-L374 HydrophobicContact CD1-CD2 4.13Å; L371-L374 HydrophobicContact CD1-CD2 4.13Å; L374-L387 HydrophobicContact CD1-CD2 4.41Å; L374-V389 HydrophobicContact CD1-CG1 4.29Å; L374-V389 HydrophobicContact CD2-CG1 4.13Å; L374-L394 HydrophobicContact CD1-CD1 4.23Å; L374-L394 HydrophobicContact CG-CD1 4.13Å; L374-L394 HydrophobicContact CG-CD2 4.05Å; L374-L397 HydrophobicContact CD1-CD2 3.8Å; L374-P398 HydrophobicContact CB-CG 4.24Å
375P98.3Very high98.4Very high17 Ų1741.7 Ų41.711%0.1121%0.212CC..  trans-63.3145.7176.828-34.7000110.9L351 V355 E377 I378L351-P375 HydrophobicContact CB-CG 4.03Å; V355-P375 HydrophobicContact CG1-CG 4.16Å; P375-E377 WeakPolarHBondContact CB-OE2 3.46Å; P375-E377 PolarHBondContact O-N 3.15Å; P375-E377 VanDerWaalsContact O-N 3.15Å; P375-I378 VanDerWaalsContact O-CB 3.3Å; P375-I378 WeakPolarHBondContact O-CB 3.4Å; P375-I378 WeakPolarHBondContact O-CG2 3.44Å; P375-I378 PolarHBondContact O-N 2.91Å
376S98.3Very high98.4Very high68 Ų6844.3 Ų44.348%0.47622%0.222SC..G310 helixtrans-59.1-28.2178.8-62.60000112.6I378 G379 T400S376-I378 PolarHBondContact O-N 3.41Å; S376-I378 VanDerWaalsContact O-N 3.16Å; S376-G379 PolarHBondContact O-N 3.49Å; S376-T400 VanDerWaalsContact O-CB 3.29Å; S376-T400 WeakPolarHBondContact O-CB 3.18Å; S376-T400 PolarHBondContact O-OG1 3.47Å
377E98.4Very high98.4Very high65 Ų6544.3 Ų44.330%0.30422%0.222SC..G310 helixtrans-63.3-14.9176.4-66.376.8-174.300113.1P353 G356 P375 G379 F380P353-E377 HydrophobicContact CB-CG 4.09Å; P353-E377 WeakPolarHBondContact O-CB 3.11Å; G356-E377 WeakPolarHBondContact CA-O 3.35Å; P375-E377 WeakPolarHBondContact CB-OE2 3.46Å; P375-E377 PolarHBondContact O-N 3.15Å; P375-E377 VanDerWaalsContact O-N 3.15Å; E377-G379 PolarHBondContact O-N 2.79Å; E377-G379 VanDerWaalsContact O-N 3.16Å; E377-F380 HydrophobicContact CB-CD2 3.93Å; E377-F380 HydrophobicContact CB-CE2 4.1Å; E377-F380 HydrophobicContact CG-CD2 4.09Å; E377-F380 HydrophobicContact CG-CE2 3.77Å; E377-F380 VanDerWaalsContact O-CB 3.27Å; E377-F380 WeakPolarHBondContact O-CB 3.48Å; E377-F380 WeakPolarHBondContact O-CG 3.3Å; E377-F380 PolarHBondContact O-N 2.97Å
378I98.4Very high98.4Very high0 Ų042.9 Ų42.90%022%0.216CC..G310 helixtrans-53.5-35.5171.7-161.474.4000111.1L351 V355 L364 P375 S376 F380 L381 P398 L404L351-I378 HydrophobicContact CD1-CD1 4.49Å; V355-I378 HydrophobicContact CG1-CD1 4.38Å; L364-I378 HydrophobicContact CD2-CD1 3.67Å; P375-I378 VanDerWaalsContact O-CB 3.3Å; P375-I378 WeakPolarHBondContact O-CB 3.4Å; P375-I378 WeakPolarHBondContact O-CG2 3.44Å; P375-I378 PolarHBondContact O-N 2.91Å; S376-I378 PolarHBondContact O-N 3.41Å; S376-I378 VanDerWaalsContact O-N 3.16Å; I378-F380 PolarHBondContact O-N 2.77Å; I378-L381 HydrophobicContact CD1-CD1 3.54Å; I378-L381 HydrophobicContact CG1-CD1 4.19Å; I378-L381 WeakPolarHBondContact O-CB 3.41Å; I378-L381 WeakPolarHBondContact O-CG 3.41Å; I378-L381 PolarHBondContact O-N 2.76Å; I378-L381 VanDerWaalsContact O-N 3.1Å; I378-P398 HydrophobicContact CG2-CG 3.69Å; I378-L404 WeakPolarHBondContact O-CD2 3.29Å
379G98.1Very high98.4Very high0 Ų037.8 Ų37.80%019%0.192CC..G310 helixtrans-67.1-0.4176.500000114.9S376 E377 T400 N403S376-G379 PolarHBondContact O-N 3.49Å; E377-G379 PolarHBondContact O-N 2.79Å; E377-G379 VanDerWaalsContact O-N 3.16Å; G379-T400 WeakPolarHBondContact CA-O 3.28Å; G379-N403 WeakPolarHBondContact O-CB 3.27Å
380F98.4Very high98.3Very high84 Ų8438 Ų3837%0.36819%0.193SC..G310 helixtrans-91.30.1172.6-57.5-23000113.4G356 K359 E377 I378 F382G356-F380 VanDerWaalsContact O-CB 3.3Å; G356-F380 WeakPolarHBondContact O-CB 3.49Å; K359-F380 PolarHBondContact NZ-O 3.1Å; E377-F380 HydrophobicContact CB-CD2 3.93Å; E377-F380 HydrophobicContact CB-CE2 4.1Å; E377-F380 HydrophobicContact CG-CD2 4.09Å; E377-F380 HydrophobicContact CG-CE2 3.77Å; E377-F380 VanDerWaalsContact O-CB 3.27Å; E377-F380 WeakPolarHBondContact O-CB 3.48Å; E377-F380 WeakPolarHBondContact O-CG 3.3Å; E377-F380 PolarHBondContact O-N 2.97Å; I378-F380 PolarHBondContact O-N 2.77Å; F380-F382 VanDerWaalsContact C-N 3.31Å; F380-F382 VanDerWaalsContact O-CD2 3.28Å; F380-F382 WeakPolarHBondContact O-CD2 3.48Å; F380-F382 WeakPolarHBondContact O-CE2 3.48Å; F380-F382 PolarHBondContact O-N 3.16Å
381L98.5Very high98.3Very high0 Ų036.9 Ų36.90%019%0.191CC..  trans-86.960.9177-60.3176.2000111.6V355 L358 L361 L364 I378 N383 L384 L404V355-L381 WeakPolarHBondContact O-CD2 3.4Å; L358-L381 HydrophobicContact CB-CD2 4.05Å; L358-L381 VanDerWaalsContact O-CD2 3.28Å; L358-L381 WeakPolarHBondContact O-CD2 3.49Å; L361-L381 HydrophobicContact CB-CD2 4.21Å; L361-L381 HydrophobicContact CD2-CD1 4.02Å; L361-L381 HydrophobicContact CD2-CD2 4.36Å; L364-L381 HydrophobicContact CD2-CD1 4.35Å; I378-L381 HydrophobicContact CD1-CD1 3.54Å; I378-L381 HydrophobicContact CG1-CD1 4.19Å; I378-L381 WeakPolarHBondContact O-CB 3.41Å; I378-L381 WeakPolarHBondContact O-CG 3.41Å; I378-L381 PolarHBondContact O-N 2.76Å; I378-L381 VanDerWaalsContact O-N 3.1Å; L381-N383 PolarHBondContact O-N 2.99Å; L381-L384 HydrophobicContact CB-CB 3.99Å; L381-L384 HydrophobicContact CB-CD2 4.44Å; L381-L384 HydrophobicContact CD1-CD1 4.45Å; L381-L384 HydrophobicContact CD1-CD2 4.12Å; L381-L384 VanDerWaalsContact O-CB 3.23Å; L381-L384 WeakPolarHBondContact O-CB 3.3Å; L381-L384 PolarHBondContact O-N 3.05Å; L381-L404 HydrophobicContact CB-CD2 3.9Å; L381-L404 VanDerWaalsContact O-CD2 3.3Å; L381-L404 WeakPolarHBondContact O-CD2 3.29Å
382F97.1Very high98.3Very high95 Ų9537.4 Ų37.442%0.41719%0.193SC..THydrogen-bonded Turntrans-57.6-21.7-172.5-53-70.9000115.2F380 N403 S406F380-F382 VanDerWaalsContact C-N 3.31Å; F380-F382 VanDerWaalsContact O-CD2 3.28Å; F380-F382 WeakPolarHBondContact O-CD2 3.48Å; F380-F382 WeakPolarHBondContact O-CE2 3.48Å; F380-F382 PolarHBondContact O-N 3.16Å; F382-N403 WeakPolarHBondContact CD1-O 3.46Å; F382-N403 HydrophobicContact CE1-CB 4.24Å; F382-S406 VanDerWaalsContact O-CB 3.25Å; F382-S406 WeakPolarHBondContact O-CB 3.47Å; F382-S406 PolarHBondContact O-OG 3.29Å
383N98Very high98.3Very high83 Ų8336.5 Ų36.544%0.44419%0.188SC..THydrogen-bonded Turntrans-941.2179-69.4-46000114K359 L361 L381 N385K359-N383 PolarHBondContact O-ND2 3.42Å; L361-N383 CarbonylContact O-C 3.12Å; L361-N383 VanDerWaalsContact O-C 3.25Å; L381-N383 PolarHBondContact O-N 2.99Å; N383-N385 PolarHBondContact O-N 2.98Å
384L98.7Very high98.3Very high0 Ų032.9 Ų32.90%017%0.166CC..  trans-67.9120.6-177.2-161.571.2000110L361 L364 L381 L387 L404 S406 L407L361-L384 HydrophobicContact CB-CD1 4.35Å; L361-L384 HydrophobicContact CD2-CD1 4.09Å; L361-L384 HydrophobicContact CG-CD1 3.98Å; L361-L384 WeakPolarHBondContact O-CA 3.27Å; L361-L384 PolarHBondContact O-N 2.97Å; L364-L384 HydrophobicContact CB-CD1 3.9Å; L364-L384 HydrophobicContact CB-CD2 4.49Å; L381-L384 HydrophobicContact CB-CB 3.99Å; L381-L384 HydrophobicContact CB-CD2 4.44Å; L381-L384 HydrophobicContact CD1-CD1 4.45Å; L381-L384 HydrophobicContact CD1-CD2 4.12Å; L381-L384 VanDerWaalsContact O-CB 3.23Å; L381-L384 WeakPolarHBondContact O-CB 3.3Å; L381-L384 PolarHBondContact O-N 3.05Å; L384-L387 HydrophobicContact CD2-CB 3.88Å; L384-L387 HydrophobicContact CD2-CD1 4.13Å; L384-L387 HydrophobicContact CD2-CG 4.41Å; L384-L404 HydrophobicContact CB-CD2 4.36Å; L384-L404 HydrophobicContact CD2-CD1 4.15Å; L384-S406 CarbonylContact O-C 3.45Å; L384-L407 HydrophobicContact CD2-CD1 4.25Å; L384-L407 HydrophobicContact CG-CD1 4.24Å; L384-L407 WeakPolarHBondContact O-CA 3.33Å; L384-L407 PolarHBondContact O-N 2.79Å; L384-L407 VanDerWaalsContact O-N 3.08Å
385N98.7Very high98.3Very high47 Ų4736.3 Ų36.325%0.25119%0.187SC..  trans-95.1-34.2176.9-67.5-45.1000111.9K362 N383 S406 K408 E409K362-N385 WeakPolarHBondContact O-CA 3.39Å; K362-N385 WeakPolarHBondContact O-CB 3.44Å; K362-N385 PolarHBondContact O-N 3.18Å; N383-N385 PolarHBondContact O-N 2.98Å; N385-S406 PolarHBondContact OD1-O 2.89Å; N385-K408 PolarHBondContact O-N 2.79Å; N385-E409 PolarHBondContact O-N 2.81Å
386K98.9Very high98.2Very high70 Ų7038.1 Ų38.130%0.30420%0.199SC..EExtended strand (participates in β ladder)trans-131.2128.4179.9-55.3-167-161.2142.80111K362 E363 L364 L388 E409K362-K386 PolarHBondContact O-N 3.05Å; E363-K386 HydrophobicContact CG-CB 4.14Å; E363-K386 HydrophobicContact CG-CD 4.39Å; E363-K386 IonicContact OE1-NZ 2.68Å; E363-K386 PolarHBondContact OE1-NZ 3.16Å; E363-K386 WeakPolarHBondContact OE2-CE 3.43Å; E363-K386 IonicContact OE2-NZ 2.9Å; E363-K386 PolarHBondContact OE2-NZ 3.2Å; L364-K386 PolarHBondContact N-O 3.01Å; K386-L388 HydrophobicContact CB-CD2 4.27Å; K386-E409 WeakPolarHBondContact CA-O 3.37Å; K386-E409 HydrophobicContact CB-CB 4.48Å; K386-E409 HydrophobicContact CG-CB 4.13Å
387L98.8Very high98.2Very high0 Ų035.2 Ų35.20%018%0.179CC..EExtended strand (participates in β ladder)trans-123109.6170.2-179.560.5000108.3L364 L374 L384 V389 I401 L404 L407 E409 L410 R411L364-L387 HydrophobicContact CB-CD1 4.15Å; L364-L387 HydrophobicContact CD2-CD1 3.9Å; L364-L387 HydrophobicContact CG-CD1 4.11Å; L374-L387 HydrophobicContact CD1-CD2 4.41Å; L384-L387 HydrophobicContact CD2-CB 3.88Å; L384-L387 HydrophobicContact CD2-CD1 4.13Å; L384-L387 HydrophobicContact CD2-CG 4.41Å; L387-V389 HydrophobicContact CD1-CG1 3.9Å; L387-V389 HydrophobicContact CG-CG1 4.12Å; L387-I401 HydrophobicContact CD2-CD1 3.72Å; L387-L404 HydrophobicContact CD2-CD1 4.23Å; L387-L407 HydrophobicContact CB-CD1 3.89Å; L387-E409 PolarHBondContact N-O 2.97Å; L387-L410 HydrophobicContact CB-CD1 4Å; L387-L410 HydrophobicContact CD2-CD1 3.86Å; L387-L410 HydrophobicContact CG-CD1 4.04Å; L387-L410 WeakPolarHBondContact O-CA 3.36Å; L387-R411 PolarHBondContact O-N 3.1Å
388L98.8Very high98.2Very high12 Ų1232.9 Ų32.96%0.06317%0.169CC..EExtended strand (participates in β ladder)trans-110.2110.8-178.9-38.7-179.6000108.3L364 D365 L366 E367 K386 E409 R411L364-L388 PolarHBondContact O-N 3.11Å; D365-L388 HydrophobicContact CB-CB 4.39Å; D365-L388 HydrophobicContact CB-CD1 4.05Å; D365-L388 HydrophobicContact CB-CG 4.46Å; L366-L388 CarbonylContact C-O 3.47Å; L366-L388 WeakPolarHBondContact CA-O 3.23Å; L366-L388 WeakPolarHBondContact CB-O 3.35Å; L366-L388 PolarHBondContact N-O 3.23Å; E367-L388 HydrophobicContact CG-CB 3.61Å; E367-L388 PolarHBondContact N-O 3.21Å; K386-L388 HydrophobicContact CB-CD2 4.27Å; L388-E409 HydrophobicContact CD2-CG 4.32Å; L388-R411 HydrophobicContact CD2-CB 4.29Å; L388-R411 HydrophobicContact CD2-CG 3.82Å
389V98.4Very high98.2Very high0 Ų041.8 Ų41.80%020%0.202CC..  trans-133.925.8-178.2-64.20000111L366 L374 L387 N392 L394 R411 V412 N415L366-V389 HydrophobicContact CB-CG1 4.11Å; L366-V389 HydrophobicContact CD1-CG1 4.05Å; L374-V389 HydrophobicContact CD1-CG1 4.29Å; L374-V389 HydrophobicContact CD2-CG1 4.13Å; L387-V389 HydrophobicContact CD1-CG1 3.9Å; L387-V389 HydrophobicContact CG-CG1 4.12Å; V389-N392 PolarHBondContact O-ND2 3.22Å; V389-L394 HydrophobicContact CB-CD1 4.08Å; V389-L394 HydrophobicContact CG2-CD1 3.89Å; V389-R411 CarbonylContact C-O 3.38Å; V389-R411 WeakPolarHBondContact CA-O 3.19Å; V389-R411 WeakPolarHBondContact CG2-O 3.1Å; V389-R411 PolarHBondContact N-O 3.02Å; V389-V412 HydrophobicContact CG2-CB 3.81Å; V389-V412 HydrophobicContact CG2-CG2 3.89Å; V389-N415 PolarHBondContact O-ND2 2.96Å
390Q97.1Very high98.2Very high17 Ų1743.4 Ų43.48%0.07921%0.213CC..  trans-57.3151.8174.8-170.372.117.600111E367 E368 N392 R411 G413 E414 N436E367-Q390 CarbonylContact C-O 3.29Å; E367-Q390 VanDerWaalsContact CA-O 3.28Å; E367-Q390 WeakPolarHBondContact CA-O 3.28Å; E367-Q390 HydrophobicContact CB-CB 4.34Å; E367-Q390 HydrophobicContact CG-CB 3.77Å; E368-Q390 PolarHBondContact N-O 3.21Å; Q390-N392 PolarHBondContact O-ND2 2.87Å; Q390-R411 HydrophobicContact CB-CB 4.48Å; Q390-R411 PolarHBondContact N-O 2.9Å; Q390-G413 WeakPolarHBondContact CA-O 3.44Å; Q390-G413 VanDerWaalsContact CD-CA 3.44Å; Q390-G413 PolarHBondContact NE2-O 2.81Å; Q390-G413 VanDerWaalsContact OE1-C 3.22Å; Q390-G413 PolarHBondContact OE1-O 2.62Å; Q390-E414 HydrophobicContact CG-CB 4.48Å; Q390-E414 VanDerWaalsContact NE2-CG 3.27Å; Q390-E414 PolarHBondContact NE2-OE1 3.13Å; Q390-N436 PolarHBondContact NE2-ND2 3.08Å
391S98.2Very high98.2Very high29 Ų2939.4 Ų39.420%0.20320%0.195CC..SBendtrans56.557.6172.3-46.90000112E368 N369 G413 E414E368-S391 VanDerWaalsContact CA-O 3.31Å; E368-S391 WeakPolarHBondContact CA-O 3.23Å; E368-S391 PolarHBondContact N-O 2.73Å; N369-S391 PolarHBondContact N-O 2.93Å; S391-G413 PolarHBondContact N-O 3.05Å; S391-G413 VanDerWaalsContact N-O 3.15Å; S391-E414 WeakPolarHBondContact CA-O 3.16Å; S391-E414 PolarHBondContact N-O 3.28Å; S391-E414 VanDerWaalsContact OG-CD 3.23Å; S391-E414 PolarHBondContact OG-OE2 3.06Å
392N98.7Very high98.1Very high11 Ų1139.6 Ų39.66%0.05920%0.197CC..SBendtrans-130.6-166.7179-88.8-82.8000110.2L366 N369 L371 V389 Q390 L394 E414 N415L366-N392 PolarHBondContact O-ND2 2.94Å; N369-N392 WeakPolarHBondContact CA-OD1 3.25Å; N369-N392 WeakPolarHBondContact CB-OD1 3.11Å; N369-N392 PolarHBondContact O-OD1 3.06Å; L371-N392 HydrophobicContact CB-CB 4.26Å; L371-N392 WeakPolarHBondContact CB-OD1 3.03Å; L371-N392 VanDerWaalsContact CG-OD1 3.26Å; L371-N392 WeakPolarHBondContact CG-OD1 3.26Å; L371-N392 PolarHBondContact N-OD1 2.98Å; V389-N392 PolarHBondContact O-ND2 3.22Å; Q390-N392 PolarHBondContact O-ND2 2.87Å; N392-L394 HydrophobicContact CB-CG 4.29Å; N392-E414 PolarHBondContact N-O 3.35Å; N392-E414 VanDerWaalsContact N-O 3.16Å; N392-N415 WeakPolarHBondContact CA-OD1 3.31Å; N392-N415 WeakPolarHBondContact CB-OD1 3.35Å; N392-N415 PolarHBondContact O-OD1 3.04Å
393K98.1Very high98.1Very high90 Ų9038.3 Ų38.339%0.39119%0.194SC..  trans-115.322.9-179-60176.5-176.8170.50112.2E370 L371 T395 N415E370-K393 HydrophobicContact CB-CD 4.28Å; E370-K393 IonicContact OE2-NZ 2.72Å; E370-K393 PolarHBondContact OE2-NZ 2.82Å; L371-K393 CarbonylContact O-C 3.47Å; L371-K393 VanDerWaalsContact O-CA 3.24Å; L371-K393 WeakPolarHBondContact O-CA 3.17Å; L371-K393 WeakPolarHBondContact O-CB 3.46Å; L371-K393 PolarHBondContact O-N 3.46Å; K393-T395 PolarHBondContact O-N 3.16Å; K393-N415 PolarHBondContact N-OD1 2.77Å
394L98.5Very high98.1Very high0 Ų034.4 Ų34.40%017%0.173CC..  trans-67.4131.2-174.3-60.1174.2000110.7L371 L374 V389 N392 L397 V412 N415 N416 L417L371-L394 HydrophobicContact CB-CD2 4.01Å; L371-L394 PolarHBondContact O-N 3.21Å; L371-L394 VanDerWaalsContact O-N 3.13Å; L374-L394 HydrophobicContact CD1-CD1 4.23Å; L374-L394 HydrophobicContact CG-CD1 4.13Å; L374-L394 HydrophobicContact CG-CD2 4.05Å; V389-L394 HydrophobicContact CB-CD1 4.08Å; V389-L394 HydrophobicContact CG2-CD1 3.89Å; N392-L394 HydrophobicContact CB-CG 4.29Å; L394-L397 HydrophobicContact CD1-CD2 4.43Å; L394-V412 HydrophobicContact CD1-CG2 4.18Å; L394-N415 HydrophobicContact CB-CB 4.37Å; L394-N415 VanDerWaalsContact CB-OD1 3.23Å; L394-N415 WeakPolarHBondContact CB-OD1 3.37Å; L394-N415 WeakPolarHBondContact CG-OD1 3.42Å; L394-N415 PolarHBondContact N-OD1 3.08Å; L394-N416 CarbonylContact O-C 3.52Å; L394-N416 VanDerWaalsContact O-CA 3.32Å; L394-N416 WeakPolarHBondContact O-CA 3.22Å; L394-N416 PolarHBondContact O-N 3.16Å; L394-L417 HydrophobicContact CB-CD2 4.2Å; L394-L417 PolarHBondContact O-N 3.18Å
395T97.8Very high98Very high75 Ų7538 Ų3846%0.4620%0.195SC..SBendtrans-97.8-21.817457.90000113.2K393 N416 L417 T418K393-T395 PolarHBondContact O-N 3.16Å; T395-N416 WeakPolarHBondContact CA-O 3.06Å; T395-N416 HydrophobicContact CG2-CB 4.37Å; T395-L417 WeakPolarHBondContact O-CA 3.22Å; T395-T418 PolarHBondContact O-N 2.91Å; T395-T418 PolarHBondContact O-OG1 3.37Å
396C97.3Very high97.9Very high54 Ų5437.1 Ų37.137%0.36519%0.193SC..  trans-154.4162.1175.162.60000110.7
397L98.1Very high97.9Very high8 Ų833.8 Ų33.84%0.04218%0.178CC..  trans-96.8144.9164.6-66.2176.2000109.6L374 L394 L410 V412 L417 L420 P421L374-L397 HydrophobicContact CD1-CD2 3.8Å; L394-L397 HydrophobicContact CD1-CD2 4.43Å; L397-L410 HydrophobicContact CD1-CD2 4.2Å; L397-V412 HydrophobicContact CD1-CG1 4.37Å; L397-V412 HydrophobicContact CD2-CG2 4.03Å; L397-V412 HydrophobicContact CG-CG2 4.43Å; L397-L417 HydrophobicContact CG-CD2 4.41Å; L397-L420 HydrophobicContact CD1-CD2 3.88Å; L397-P421 HydrophobicContact CB-CG 4.1Å
398P98Very high97.9Very high16 Ų1638.4 Ų38.410%0.10420%0.198CC..  trans-66.3144.9174.729.1-34.7000110.3L374 I378 T400 I401L374-P398 HydrophobicContact CB-CG 4.24Å; I378-P398 HydrophobicContact CG2-CG 3.69Å; P398-T400 PolarHBondContact O-N 3.31Å; P398-T400 VanDerWaalsContact O-N 3.14Å; P398-I401 VanDerWaalsContact O-CB 3.24Å; P398-I401 WeakPolarHBondContact O-CB 3.46Å; P398-I401 VanDerWaalsContact O-CG2 3.23Å; P398-I401 WeakPolarHBondContact O-CG2 3.38Å; P398-I401 PolarHBondContact O-N 2.8Å
399R98.1Very high97.9Very high186 Ų18639.4 Ų39.470%0.70220%0.203SC*.G310 helixtrans-56.7-30.7177.5-68-175.7-175.3-168-0.8113.2I401 G402 P421 E423R399-I401 PolarHBondContact O-N 3.11Å; R399-G402 PolarHBondContact O-N 2.92Å; R399-P421 HydrophobicContact CG-CB 4.36Å; R399-E423 HydrophobicContact CB-CG 4.39Å; R399-E423 WeakPolarHBondContact CD-OE1 3.46Å; R399-E423 WeakPolarHBondContact CG-OE2 3.19Å; R399-E423 VanDerWaalsContact O-CB 3.24Å; R399-E423 WeakPolarHBondContact O-CB 3.32Å
400T98Very high97.9Very high35 Ų3539.4 Ų39.422%0.21520%0.203CC..G310 helixtrans-64.1-8.1175.954.30000113.6S376 G379 P398 G402 N403S376-T400 VanDerWaalsContact O-CB 3.29Å; S376-T400 WeakPolarHBondContact O-CB 3.18Å; S376-T400 PolarHBondContact O-OG1 3.47Å; G379-T400 WeakPolarHBondContact CA-O 3.28Å; P398-T400 PolarHBondContact O-N 3.31Å; P398-T400 VanDerWaalsContact O-N 3.14Å; T400-G402 PolarHBondContact O-N 2.9Å; T400-N403 VanDerWaalsContact O-CB 3.26Å; T400-N403 WeakPolarHBondContact O-CB 3.37Å; T400-N403 PolarHBondContact O-N 2.81Å
401I97.9Very high97.9Very high0 Ų042.3 Ų42.30%021%0.213CC..G310 helixtrans-53.5-34.1170.8-162.575.5000111.6L387 P398 R399 N403 L404 P421 L427L387-I401 HydrophobicContact CD2-CD1 3.72Å; P398-I401 VanDerWaalsContact O-CB 3.24Å; P398-I401 WeakPolarHBondContact O-CB 3.46Å; P398-I401 VanDerWaalsContact O-CG2 3.23Å; P398-I401 WeakPolarHBondContact O-CG2 3.38Å; P398-I401 PolarHBondContact O-N 2.8Å; R399-I401 PolarHBondContact O-N 3.11Å; I401-N403 PolarHBondContact O-N 3.13Å; I401-N403 VanDerWaalsContact O-N 3.13Å; I401-L404 HydrophobicContact CD1-CD1 3.48Å; I401-L404 VanDerWaalsContact CD1-CD1 3.48Å; I401-L404 HydrophobicContact CD1-CG 4.46Å; I401-L404 HydrophobicContact CG1-CD1 4.21Å; I401-L404 WeakPolarHBondContact O-CB 3.19Å; I401-L404 WeakPolarHBondContact O-CG 3.5Å; I401-L404 PolarHBondContact O-N 3.18Å; I401-P421 HydrophobicContact CG2-CG 3.59Å; I401-L427 WeakPolarHBondContact O-CD2 3.13Å
402G97Very high97.9Very high3 Ų341 Ų413%0.03120%0.203CC..G310 helixtrans-61.9-19.717700000114.4R399 T400 L404 E423 T426R399-G402 PolarHBondContact O-N 2.92Å; T400-G402 PolarHBondContact O-N 2.9Å; G402-L404 PolarHBondContact O-N 2.84Å; G402-E423 VanDerWaalsContact CA-O 3.29Å; G402-E423 WeakPolarHBondContact CA-O 3.38Å; G402-T426 VanDerWaalsContact C-OG1 3.28Å; G402-T426 WeakPolarHBondContact CA-OG1 3.08Å; G402-T426 PolarHBondContact O-OG1 3.39Å
403N97.8Very high97.8Very high69 Ų6940.4 Ų40.437%0.36920%0.201SC..G310 helixtrans-74.2-9.4176.5-62.7-12000113.1G379 F382 T400 I401 V405G379-N403 WeakPolarHBondContact O-CB 3.27Å; F382-N403 WeakPolarHBondContact CD1-O 3.46Å; F382-N403 HydrophobicContact CE1-CB 4.24Å; T400-N403 VanDerWaalsContact O-CB 3.26Å; T400-N403 WeakPolarHBondContact O-CB 3.37Å; T400-N403 PolarHBondContact O-N 2.81Å; I401-N403 PolarHBondContact O-N 3.13Å; I401-N403 VanDerWaalsContact O-N 3.13Å; N403-V405 PolarHBondContact O-N 3Å
404L98.1Very high97.8Very high0 Ų040.7 Ų40.70%020%0.203CC..  trans-77.561.2179-59.1-177.9000111.5I378 L381 L384 L387 I401 G402 S406 L407 L427I378-L404 WeakPolarHBondContact O-CD2 3.29Å; L381-L404 HydrophobicContact CB-CD2 3.9Å; L381-L404 VanDerWaalsContact O-CD2 3.3Å; L381-L404 WeakPolarHBondContact O-CD2 3.29Å; L384-L404 HydrophobicContact CB-CD2 4.36Å; L384-L404 HydrophobicContact CD2-CD1 4.15Å; L387-L404 HydrophobicContact CD2-CD1 4.23Å; I401-L404 HydrophobicContact CD1-CD1 3.48Å; I401-L404 VanDerWaalsContact CD1-CD1 3.48Å; I401-L404 HydrophobicContact CD1-CG 4.46Å; I401-L404 HydrophobicContact CG1-CD1 4.21Å; I401-L404 WeakPolarHBondContact O-CB 3.19Å; I401-L404 WeakPolarHBondContact O-CG 3.5Å; I401-L404 PolarHBondContact O-N 3.18Å; G402-L404 PolarHBondContact O-N 2.84Å; L404-S406 PolarHBondContact O-N 2.92Å; L404-L407 HydrophobicContact CB-CB 3.95Å; L404-L407 HydrophobicContact CB-CD2 4.34Å; L404-L407 HydrophobicContact CD1-CD1 4.4Å; L404-L407 HydrophobicContact CD1-CD2 4.07Å; L404-L407 WeakPolarHBondContact O-CB 3.03Å; L404-L407 PolarHBondContact O-N 3.15Å; L404-L427 HydrophobicContact CB-CD2 3.98Å; L404-L427 VanDerWaalsContact O-CD2 3.31Å; L404-L427 WeakPolarHBondContact O-CD2 3.39Å
405V95.4Very high97.8Very high75 Ų7540.9 Ų40.946%0.45520%0.204SC..THydrogen-bonded Turntrans-58-23.5-172.2-63.80000114.5N403 N429N403-V405 PolarHBondContact O-N 3Å; V405-N429 PolarHBondContact O-ND2 2.87Å
406S97.6Very high97.8Very high30 Ų3040.7 Ų40.721%0.2120%0.201CC..THydrogen-bonded Turntrans-87.9-5.1176.8-58.20000114.3F382 L384 N385 L404 K408F382-S406 VanDerWaalsContact O-CB 3.25Å; F382-S406 WeakPolarHBondContact O-CB 3.47Å; F382-S406 PolarHBondContact O-OG 3.29Å; L384-S406 CarbonylContact O-C 3.45Å; N385-S406 PolarHBondContact OD1-O 2.89Å; L404-S406 PolarHBondContact O-N 2.92Å; S406-K408 PolarHBondContact O-N 3.43Å
407L98.6Very high97.8Very high0 Ų038.1 Ų38.10%018%0.183CC..  trans-66.2127-170.4-162.171.1000111L384 L387 L404 L410 L427 N429 L430L384-L407 HydrophobicContact CD2-CD1 4.25Å; L384-L407 HydrophobicContact CG-CD1 4.24Å; L384-L407 WeakPolarHBondContact O-CA 3.33Å; L384-L407 PolarHBondContact O-N 2.79Å; L384-L407 VanDerWaalsContact O-N 3.08Å; L387-L407 HydrophobicContact CB-CD1 3.89Å; L404-L407 HydrophobicContact CB-CB 3.95Å; L404-L407 HydrophobicContact CB-CD2 4.34Å; L404-L407 HydrophobicContact CD1-CD1 4.4Å; L404-L407 HydrophobicContact CD1-CD2 4.07Å; L404-L407 WeakPolarHBondContact O-CB 3.03Å; L404-L407 PolarHBondContact O-N 3.15Å; L407-L410 HydrophobicContact CD2-CB 3.97Å; L407-L410 HydrophobicContact CD2-CD1 4.39Å; L407-L410 HydrophobicContact CD2-CD2 4.43Å; L407-L410 HydrophobicContact CD2-CG 4.5Å; L407-L427 HydrophobicContact CB-CD2 4.29Å; L407-L427 HydrophobicContact CD2-CD1 4.08Å; L407-L427 HydrophobicContact CD2-CD2 4.43Å; L407-N429 CarbonylContact O-C 3.44Å; L407-L430 HydrophobicContact CD2-CD1 4.3Å; L407-L430 HydrophobicContact CG-CD1 4.33Å; L407-L430 VanDerWaalsContact O-CA 3.22Å; L407-L430 WeakPolarHBondContact O-CA 3.39Å; L407-L430 PolarHBondContact O-N 3.21Å
408K98.4Very high97.7Very high96 Ų9641.5 Ų41.542%0.41720%0.204SC..  trans-111.5-31.4179.5-63177.1-173.6171.90111.9N385 S406 N429 K431 S432N385-K408 PolarHBondContact O-N 2.79Å; S406-K408 PolarHBondContact O-N 3.43Å; K408-N429 WeakPolarHBondContact CA-O 3.26Å; K408-K431 WeakPolarHBondContact O-CA 3.38Å; K408-K431 PolarHBondContact O-N 3.35Å; K408-S432 PolarHBondContact O-N 3.44Å
409E98.3Very high97.6Very high33 Ų3343.1 Ų43.115%0.15422%0.216CC..EExtended strand (participates in β ladder)trans-133.1123-179-172.7168-171.900110.3N385 K386 L387 L388 R411 S432N385-E409 PolarHBondContact O-N 2.81Å; K386-E409 WeakPolarHBondContact CA-O 3.37Å; K386-E409 HydrophobicContact CB-CB 4.48Å; K386-E409 HydrophobicContact CG-CB 4.13Å; L387-E409 PolarHBondContact N-O 2.97Å; L388-E409 HydrophobicContact CD2-CG 4.32Å; E409-R411 HydrophobicContact CG-CG 4.29Å; E409-R411 IonicContact OE1-CZ 3.94Å; E409-R411 IonicContact OE1-NE 2.86Å; E409-R411 PolarHBondContact OE1-NE 2.9Å; E409-R411 IonicContact OE1-NH2 3.67Å; E409-R411 PolarHBondContact OE1-NH2 2.96Å; E409-S432 WeakPolarHBondContact CA-O 3.26Å
410L98.5Very high97.4Very high0 Ų034.7 Ų34.70%019%0.185CC..EExtended strand (participates in β ladder)trans-122.9117.3173.5178.556.9000108.7L387 L397 L407 V412 L430 S432 L433 Y434L387-L410 HydrophobicContact CB-CD1 4Å; L387-L410 HydrophobicContact CD2-CD1 3.86Å; L387-L410 HydrophobicContact CG-CD1 4.04Å; L387-L410 WeakPolarHBondContact O-CA 3.36Å; L397-L410 HydrophobicContact CD1-CD2 4.2Å; L407-L410 HydrophobicContact CD2-CB 3.97Å; L407-L410 HydrophobicContact CD2-CD1 4.39Å; L407-L410 HydrophobicContact CD2-CD2 4.43Å; L407-L410 HydrophobicContact CD2-CG 4.5Å; L410-V412 HydrophobicContact CG-CG1 4.35Å; L410-L430 HydrophobicContact CB-CD1 3.84Å; L410-S432 PolarHBondContact N-O 3.04Å; L410-L433 HydrophobicContact CB-CD1 4.02Å; L410-L433 HydrophobicContact CD2-CD1 3.87Å; L410-L433 HydrophobicContact CG-CD1 3.98Å; L410-L433 WeakPolarHBondContact O-CA 3.45Å; L410-Y434 PolarHBondContact O-N 2.9Å
411R98.4Very high97.4Very high79 Ų7933.7 Ų33.730%0.29818%0.179SC..EExtended strand (participates in β ladder)trans-113.5116.4173-57.4-171-176.7-178.8-2.2110.3E367 L387 L388 V389 Q390 E409 Y434E367-R411 VanDerWaalsContact OE1-CD 3.27Å; E367-R411 WeakPolarHBondContact OE1-CD 3.27Å; E367-R411 IonicContact OE1-NH1 3.96Å; E367-R411 PolarHBondContact OE1-NH1 3.15Å; L387-R411 PolarHBondContact O-N 3.1Å; L388-R411 HydrophobicContact CD2-CB 4.29Å; L388-R411 HydrophobicContact CD2-CG 3.82Å; V389-R411 CarbonylContact C-O 3.38Å; V389-R411 WeakPolarHBondContact CA-O 3.19Å; V389-R411 WeakPolarHBondContact CG2-O 3.1Å; V389-R411 PolarHBondContact N-O 3.02Å; Q390-R411 HydrophobicContact CB-CB 4.48Å; Q390-R411 PolarHBondContact N-O 2.9Å; E409-R411 HydrophobicContact CG-CG 4.29Å; E409-R411 IonicContact OE1-CZ 3.94Å; E409-R411 IonicContact OE1-NE 2.86Å; E409-R411 PolarHBondContact OE1-NE 2.9Å; E409-R411 IonicContact OE1-NH2 3.67Å; E409-R411 PolarHBondContact OE1-NH2 2.96Å; R411-Y434 HydrophobicContact CG-CD2 3.72Å; R411-Y434 HydrophobicContact CG-CE2 4.46Å; R411-Y434 HydrophobicContact CG-CG 4.2Å
412V97.8Very high97.3Very high0 Ų039.4 Ų39.40%021%0.206CC..  trans-145.126.1-177.862.60000110.4V389 L394 L397 L410 L417 Y434 I435 N438V389-V412 HydrophobicContact CG2-CB 3.81Å; V389-V412 HydrophobicContact CG2-CG2 3.89Å; L394-V412 HydrophobicContact CD1-CG2 4.18Å; L397-V412 HydrophobicContact CD1-CG1 4.37Å; L397-V412 HydrophobicContact CD2-CG2 4.03Å; L397-V412 HydrophobicContact CG-CG2 4.43Å; L410-V412 HydrophobicContact CG-CG1 4.35Å; V412-L417 HydrophobicContact CB-CD1 4.41Å; V412-L417 HydrophobicContact CG1-CD1 3.99Å; V412-L417 HydrophobicContact CG2-CD1 3.59Å; V412-L417 HydrophobicContact CG2-CD2 4.24Å; V412-L417 HydrophobicContact CG2-CG 4.12Å; V412-Y434 CarbonylContact C-O 3.2Å; V412-Y434 PolarHBondContact N-O 2.92Å; V412-I435 HydrophobicContact CG1-CG2 3.69Å; V412-N438 PolarHBondContact O-ND2 3.14Å
413G96.6Very high97.3Very high0 Ų042.1 Ų42.10%022%0.217CC..  trans-71.7174.2166.800000112.2Q390 S391 N415 Y434 N436Q390-G413 WeakPolarHBondContact CA-O 3.44Å; Q390-G413 VanDerWaalsContact CD-CA 3.44Å; Q390-G413 PolarHBondContact NE2-O 2.81Å; Q390-G413 VanDerWaalsContact OE1-C 3.22Å; Q390-G413 PolarHBondContact OE1-O 2.62Å; S391-G413 PolarHBondContact N-O 3.05Å; S391-G413 VanDerWaalsContact N-O 3.15Å; G413-N415 VanDerWaalsContact C-N 3.26Å; G413-N415 PolarHBondContact O-N 3.28Å; G413-N415 PolarHBondContact O-ND2 3Å; G413-Y434 PolarHBondContact N-O 2.97Å; G413-Y434 VanDerWaalsContact N-O 3.14Å; G413-N436 CarbonylContact C-O 3.55Å; G413-N436 VanDerWaalsContact C-O 3.29Å; G413-N436 WeakPolarHBondContact CA-O 3.17Å
414E97.6Very high97.1Very high95 Ų9538.8 Ų38.844%0.44420%0.2SC..SBendtrans49.149.8-177.5-67.7170.1-112.100111.6Q390 S391 N392 N436 D437Q390-E414 HydrophobicContact CG-CB 4.48Å; Q390-E414 VanDerWaalsContact NE2-CG 3.27Å; Q390-E414 PolarHBondContact NE2-OE1 3.13Å; S391-E414 WeakPolarHBondContact CA-O 3.16Å; S391-E414 PolarHBondContact N-O 3.28Å; S391-E414 VanDerWaalsContact OG-CD 3.23Å; S391-E414 PolarHBondContact OG-OE2 3.06Å; N392-E414 PolarHBondContact N-O 3.35Å; N392-E414 VanDerWaalsContact N-O 3.16Å; E414-N436 PolarHBondContact N-O 3.19Å; E414-D437 WeakPolarHBondContact CA-O 3.43Å; E414-D437 HydrophobicContact CB-CB 4.37Å; E414-D437 HydrophobicContact CG-CB 3.64Å; E414-D437 PolarHBondContact N-O 2.98Å
415N98.3Very high96.8Very high4 Ų439 Ų392%0.02120%0.202CC..SBendtrans-130.6-171.4178.2-88.3-83.1000109.1V389 N392 K393 L394 G413 L417 D437 N438 P439V389-N415 PolarHBondContact O-ND2 2.96Å; N392-N415 WeakPolarHBondContact CA-OD1 3.31Å; N392-N415 WeakPolarHBondContact CB-OD1 3.35Å; N392-N415 PolarHBondContact O-OD1 3.04Å; K393-N415 PolarHBondContact N-OD1 2.77Å; L394-N415 HydrophobicContact CB-CB 4.37Å; L394-N415 VanDerWaalsContact CB-OD1 3.23Å; L394-N415 WeakPolarHBondContact CB-OD1 3.37Å; L394-N415 WeakPolarHBondContact CG-OD1 3.42Å; L394-N415 PolarHBondContact N-OD1 3.08Å; G413-N415 VanDerWaalsContact C-N 3.26Å; G413-N415 PolarHBondContact O-N 3.28Å; G413-N415 PolarHBondContact O-ND2 3Å; N415-L417 HydrophobicContact CB-CG 4.34Å; N415-D437 PolarHBondContact N-O 2.94Å; N415-N438 WeakPolarHBondContact CA-OD1 3.24Å; N415-N438 VanDerWaalsContact CB-OD1 3.24Å; N415-N438 WeakPolarHBondContact CB-OD1 3.37Å; N415-N438 PolarHBondContact O-OD1 3.15Å; N415-N438 VanDerWaalsContact O-OD1 3.14Å; N415-P439 WeakPolarHBondContact O-CD 3.19Å
416N97.2Very high96.7Very high72 Ų7238.8 Ų38.839%0.38520%0.201SC..  trans-113.633.6177-66.8-47.1000111.8L394 T395 T418 N438L394-N416 CarbonylContact O-C 3.52Å; L394-N416 VanDerWaalsContact O-CA 3.32Å; L394-N416 WeakPolarHBondContact O-CA 3.22Å; L394-N416 PolarHBondContact O-N 3.16Å; T395-N416 WeakPolarHBondContact CA-O 3.06Å; T395-N416 HydrophobicContact CG2-CB 4.37Å; N416-T418 PolarHBondContact O-N 2.99Å; N416-N438 PolarHBondContact N-OD1 3.21Å
417L97.8Very high96.7Very high0 Ų037.4 Ų37.40%019%0.191CC..  trans-58.3128.4-176-66-176.9000110.9L394 T395 L397 V412 N415 L420 N438 S440 L441L394-L417 HydrophobicContact CB-CD2 4.2Å; L394-L417 PolarHBondContact O-N 3.18Å; T395-L417 WeakPolarHBondContact O-CA 3.22Å; L397-L417 HydrophobicContact CG-CD2 4.41Å; V412-L417 HydrophobicContact CB-CD1 4.41Å; V412-L417 HydrophobicContact CG1-CD1 3.99Å; V412-L417 HydrophobicContact CG2-CD1 3.59Å; V412-L417 HydrophobicContact CG2-CD2 4.24Å; V412-L417 HydrophobicContact CG2-CG 4.12Å; N415-L417 HydrophobicContact CB-CG 4.34Å; L417-L420 HydrophobicContact CD1-CD2 3.78Å; L417-N438 HydrophobicContact CB-CB 4.31Å; L417-N438 VanDerWaalsContact CB-OD1 3.24Å; L417-N438 WeakPolarHBondContact CB-OD1 3.42Å; L417-N438 VanDerWaalsContact CG-OD1 3.3Å; L417-N438 WeakPolarHBondContact CG-OD1 3.4Å; L417-N438 PolarHBondContact N-OD1 3.16Å; L417-S440 CarbonylContact O-C 3.6Å; L417-L441 WeakPolarHBondContact O-CA 3.23Å; L417-L441 WeakPolarHBondContact O-CB 3.24Å; L417-L441 PolarHBondContact O-N 2.89Å; L417-L441 VanDerWaalsContact O-N 3.1Å
418T96.3Very high96.3Very high78 Ų7844.2 Ų44.248%0.47922%0.223SC..SBendtrans-88.4-30.1172.8590000112T395 N416T395-T418 PolarHBondContact O-N 2.91Å; T395-T418 PolarHBondContact O-OG1 3.37Å; N416-T418 PolarHBondContact O-N 2.99Å
419S95.1Very high96.2Very high51 Ų5143.3 Ų43.336%0.35722%0.222SC..  trans-157.6162177.960.10000110.6
420L95.4Very high96.1Very high8 Ų841.7 Ų41.74%0.04222%0.215CC..  trans-97.7143.9161.9-64.8171.3000109L397 L417 I435 L444 P445 L448L397-L420 HydrophobicContact CD1-CD2 3.88Å; L417-L420 HydrophobicContact CD1-CD2 3.78Å; L420-I435 HydrophobicContact CD1-CD1 4.04Å; L420-I435 HydrophobicContact CD1-CG2 4.29Å; L420-I435 HydrophobicContact CD2-CG2 4.48Å; L420-L444 HydrophobicContact CD1-CD2 3.94Å; L420-P445 HydrophobicContact CB-CG 3.98Å; L420-L448 HydrophobicContact CD1-CD1 4.02Å
421P96.7Very high95.9Very high15 Ų1546 Ų4610%0.09723%0.233CC..  trans-66.9146.6173.928.2-33.8000111.1L397 R399 I401 E423 V424L397-P421 HydrophobicContact CB-CG 4.1Å; R399-P421 HydrophobicContact CG-CB 4.36Å; I401-P421 HydrophobicContact CG2-CG 3.59Å; P421-E423 WeakPolarHBondContact CB-OE2 3.3Å; P421-E423 PolarHBondContact O-N 3.5Å; P421-V424 WeakPolarHBondContact O-CB 2.83Å; P421-V424 WeakPolarHBondContact O-CG1 3.35Å; P421-V424 PolarHBondContact O-N 2.75Å; P421-V424 VanDerWaalsContact O-N 3.1Å
422E95.6Very high95.6Very high120 Ų12043.1 Ų43.156%0.56123%0.226SC*.G310 helixtrans-58.1-32.4177.1-66.5173.5-175.200111.3V424 G425 E447E422-V424 PolarHBondContact O-N 3.46Å; E422-G425 PolarHBondContact O-N 3.22Å; E422-E447 HydrophobicContact CB-CG 4.13Å; E422-E447 VanDerWaalsContact O-CB 3.23Å; E422-E447 WeakPolarHBondContact O-CB 3.43Å
423E97.1Very high95.5Very high59 Ų5943.1 Ų43.128%0.27623%0.226SC..G310 helixtrans-61.3-14.3178.3-64.286.416900113.8R399 G402 P421 G425 T426R399-E423 HydrophobicContact CB-CG 4.39Å; R399-E423 WeakPolarHBondContact CD-OE1 3.46Å; R399-E423 WeakPolarHBondContact CG-OE2 3.19Å; R399-E423 VanDerWaalsContact O-CB 3.24Å; R399-E423 WeakPolarHBondContact O-CB 3.32Å; G402-E423 VanDerWaalsContact CA-O 3.29Å; G402-E423 WeakPolarHBondContact CA-O 3.38Å; P421-E423 WeakPolarHBondContact CB-OE2 3.3Å; P421-E423 PolarHBondContact O-N 3.5Å; E423-G425 PolarHBondContact O-N 3.14Å; E423-G425 VanDerWaalsContact O-N 3.14Å; E423-T426 WeakPolarHBondContact O-CB 3.24Å; E423-T426 PolarHBondContact O-N 3.5Å; E423-T426 PolarHBondContact O-OG1 3.35Å
424V94.4Very high95.4Very high0 Ų045.8 Ų45.80%024%0.236CC..G310 helixtrans-55.3-29.9170.7750000111.9P421 E422 T426 L427 P445 L448 C451P421-V424 WeakPolarHBondContact O-CB 2.83Å; P421-V424 WeakPolarHBondContact O-CG1 3.35Å; P421-V424 PolarHBondContact O-N 2.75Å; P421-V424 VanDerWaalsContact O-N 3.1Å; E422-V424 PolarHBondContact O-N 3.46Å; V424-T426 PolarHBondContact O-N 2.89Å; V424-T426 VanDerWaalsContact O-N 3.16Å; V424-L427 HydrophobicContact CG2-CD1 3.88Å; V424-L427 WeakPolarHBondContact O-CB 3.22Å; V424-L427 WeakPolarHBondContact O-CG 3.49Å; V424-L427 PolarHBondContact O-N 3.48Å; V424-L427 VanDerWaalsContact O-N 3.15Å; V424-P445 HydrophobicContact CG1-CG 3.9Å; V424-L448 HydrophobicContact CB-CD2 4.39Å; V424-L448 HydrophobicContact CG1-CD2 3.58Å; V424-L448 HydrophobicContact CG1-CG 3.69Å; V424-L448 HydrophobicContact CG2-CD2 3.86Å; V424-C451 PolarHBondContact O-SG 2.9Å
425G91.6Very high95.3Very high4 Ų441.3 Ų41.34%0.04122%0.215CC..G310 helixtrans-65.2-14.3176.900000114.8E422 E423 L427 E447 L450E422-G425 PolarHBondContact O-N 3.22Å; E423-G425 PolarHBondContact O-N 3.14Å; E423-G425 VanDerWaalsContact O-N 3.14Å; G425-L427 VanDerWaalsContact C-N 3.31Å; G425-E447 WeakPolarHBondContact CA-O 3.45Å; G425-L450 WeakPolarHBondContact O-CB 3.1Å
426T94.3Very high95Very high71 Ų7142 Ų4244%0.43622%0.219SC..G310 helixtrans-84.5-517766.70000113.2G402 E423 V424 E428G402-T426 VanDerWaalsContact C-OG1 3.28Å; G402-T426 WeakPolarHBondContact CA-OG1 3.08Å; G402-T426 PolarHBondContact O-OG1 3.39Å; E423-T426 WeakPolarHBondContact O-CB 3.24Å; E423-T426 PolarHBondContact O-N 3.5Å; E423-T426 PolarHBondContact O-OG1 3.35Å; V424-T426 PolarHBondContact O-N 2.89Å; V424-T426 VanDerWaalsContact O-N 3.16Å; T426-E428 PolarHBondContact O-N 2.88Å
427L96.1Very high94.9Very high0 Ų041.1 Ų41.10%021%0.214CC..  trans-78.169.6177.9-59.7175.9000111.3I401 L404 L407 V424 G425 N429 L430I401-L427 WeakPolarHBondContact O-CD2 3.13Å; L404-L427 HydrophobicContact CB-CD2 3.98Å; L404-L427 VanDerWaalsContact O-CD2 3.31Å; L404-L427 WeakPolarHBondContact O-CD2 3.39Å; L407-L427 HydrophobicContact CB-CD2 4.29Å; L407-L427 HydrophobicContact CD2-CD1 4.08Å; L407-L427 HydrophobicContact CD2-CD2 4.43Å; V424-L427 HydrophobicContact CG2-CD1 3.88Å; V424-L427 WeakPolarHBondContact O-CB 3.22Å; V424-L427 WeakPolarHBondContact O-CG 3.49Å; V424-L427 PolarHBondContact O-N 3.48Å; V424-L427 VanDerWaalsContact O-N 3.15Å; G425-L427 VanDerWaalsContact C-N 3.31Å; L427-N429 PolarHBondContact O-N 2.92Å; L427-N429 VanDerWaalsContact O-N 3.08Å; L427-L430 HydrophobicContact CB-CB 3.82Å; L427-L430 HydrophobicContact CB-CD2 4.33Å; L427-L430 HydrophobicContact CD1-CD2 4.02Å; L427-L430 VanDerWaalsContact O-CB 3.26Å; L427-L430 WeakPolarHBondContact O-CB 3.28Å; L427-L430 PolarHBondContact O-N 2.8Å
428E90.8Very high94.8Very high144 Ų14441.1 Ų41.167%0.67321%0.214SC*.THydrogen-bonded Turntrans-57.1-28.5-173.8-65.1-179177.600114T426 A453T426-E428 PolarHBondContact O-N 2.88Å; E428-A453 WeakPolarHBondContact O-CB 3.49Å
429N95.6Very high94.7Very high76 Ų7641.1 Ų41.141%0.40622%0.215SC..THydrogen-bonded Turntrans-92.7-1.4-179.3-72.3-68.8000114.2V405 L407 K408 L427 K431V405-N429 PolarHBondContact O-ND2 2.87Å; L407-N429 CarbonylContact O-C 3.44Å; K408-N429 WeakPolarHBondContact CA-O 3.26Å; L427-N429 PolarHBondContact O-N 2.92Å; L427-N429 VanDerWaalsContact O-N 3.08Å; N429-K431 PolarHBondContact O-N 3.29Å
430L96.1Very high94.7Very high0 Ų041 Ų410%021%0.214CC..  trans-67.8117.9-175.2-172.168.7000110L407 L410 L427 L433 A453 L454L407-L430 HydrophobicContact CD2-CD1 4.3Å; L407-L430 HydrophobicContact CG-CD1 4.33Å; L407-L430 VanDerWaalsContact O-CA 3.22Å; L407-L430 WeakPolarHBondContact O-CA 3.39Å; L407-L430 PolarHBondContact O-N 3.21Å; L410-L430 HydrophobicContact CB-CD1 3.84Å; L427-L430 HydrophobicContact CB-CB 3.82Å; L427-L430 HydrophobicContact CB-CD2 4.33Å; L427-L430 HydrophobicContact CD1-CD2 4.02Å; L427-L430 VanDerWaalsContact O-CB 3.26Å; L427-L430 WeakPolarHBondContact O-CB 3.28Å; L427-L430 PolarHBondContact O-N 2.8Å; L430-L433 HydrophobicContact CD2-CB 4.16Å; L430-L433 HydrophobicContact CD2-CD1 4.48Å; L430-L433 HydrophobicContact CD2-CD2 4.48Å; L430-A453 CarbonylContact O-C 3.54Å; L430-L454 HydrophobicContact CD2-CD1 4.01Å; L430-L454 HydrophobicContact CG-CD1 3.87Å; L430-L454 WeakPolarHBondContact O-CA 3.23Å; L430-L454 PolarHBondContact O-N 3.14Å
431K94.4Very high94.6Very high89 Ų8940.6 Ų40.639%0.38721%0.212SC..  trans-102.5-33.9179.7-65.7-169.4168.5-143.50113.1K408 N429 A453 E455 I456K408-K431 WeakPolarHBondContact O-CA 3.38Å; K408-K431 PolarHBondContact O-N 3.35Å; N429-K431 PolarHBondContact O-N 3.29Å; K431-A453 WeakPolarHBondContact CA-O 3.23Å; K431-A453 HydrophobicContact CG-CB 4.45Å; K431-E455 IonicContact NZ-OE1 3.84Å; K431-E455 PolarHBondContact NZ-OE1 3.05Å; K431-E455 WeakPolarHBondContact O-CA 3.24Å; K431-E455 PolarHBondContact O-N 3.29Å; K431-I456 PolarHBondContact O-N 3.19Å
432S93.9Very high94.4Very high19 Ų1944.6 Ų44.613%0.13323%0.23CC..EExtended strand (participates in β ladder)trans-134.3122.5-176.1-55.10000110.5K408 E409 L410 I456K408-S432 PolarHBondContact O-N 3.44Å; E409-S432 WeakPolarHBondContact CA-O 3.26Å; L410-S432 PolarHBondContact N-O 3.04Å; S432-I456 WeakPolarHBondContact CA-O 3.4Å
433L95.3Very high94.1Very high0 Ų042.5 Ų42.50%023%0.225CC..EExtended strand (participates in β ladder)trans-122.7114.2178.1177.358.5000109.3L410 L430 I435 L448 L454 I456 M457 S458L410-L433 HydrophobicContact CB-CD1 4.02Å; L410-L433 HydrophobicContact CD2-CD1 3.87Å; L410-L433 HydrophobicContact CG-CD1 3.98Å; L410-L433 WeakPolarHBondContact O-CA 3.45Å; L430-L433 HydrophobicContact CD2-CB 4.16Å; L430-L433 HydrophobicContact CD2-CD1 4.48Å; L430-L433 HydrophobicContact CD2-CD2 4.48Å; L433-I435 HydrophobicContact CD1-CG2 3.62Å; L433-I435 HydrophobicContact CD2-CG2 4.32Å; L433-I435 HydrophobicContact CG-CG2 3.81Å; L433-L448 HydrophobicContact CD2-CD2 3.58Å; L433-L454 HydrophobicContact CB-CD1 3.77Å; L433-I456 PolarHBondContact N-O 3.15Å; L433-M457 HydrophobicContact CB-CG 4.43Å; L433-M457 HydrophobicContact CD2-CG 4.38Å; L433-M457 HydrophobicContact CD2-SD 4.47Å; L433-M457 CarbonylContact O-C 3.51Å; L433-M457 VanDerWaalsContact O-CA 3.28Å; L433-M457 WeakPolarHBondContact O-CA 3.39Å; L433-S458 PolarHBondContact O-N 3.35Å
434Y94.8Very high93.8Very high57 Ų5740.2 Ų40.222%0.22422%0.215CC..EExtended strand (participates in β ladder)trans-108.2113.9175.1-61.7-98.7000108.9L410 R411 V412 G413L410-Y434 PolarHBondContact O-N 2.9Å; R411-Y434 HydrophobicContact CG-CD2 3.72Å; R411-Y434 HydrophobicContact CG-CE2 4.46Å; R411-Y434 HydrophobicContact CG-CG 4.2Å; V412-Y434 CarbonylContact C-O 3.2Å; V412-Y434 PolarHBondContact N-O 2.92Å; G413-Y434 PolarHBondContact N-O 2.97Å; G413-Y434 VanDerWaalsContact N-O 3.14Å
435I94.5Very high93.7Very high0 Ų041 Ų410%022%0.22CC..  trans-128.414.217964.1178000111.8V412 L420 L433 N438 L441 L444 S458 I459 C462V412-I435 HydrophobicContact CG1-CG2 3.69Å; L420-I435 HydrophobicContact CD1-CD1 4.04Å; L420-I435 HydrophobicContact CD1-CG2 4.29Å; L420-I435 HydrophobicContact CD2-CG2 4.48Å; L433-I435 HydrophobicContact CD1-CG2 3.62Å; L433-I435 HydrophobicContact CD2-CG2 4.32Å; L433-I435 HydrophobicContact CG-CG2 3.81Å; I435-N438 PolarHBondContact O-ND2 3.05Å; I435-L441 HydrophobicContact CB-CD2 4.49Å; I435-L441 HydrophobicContact CD1-CD2 3.95Å; I435-L441 HydrophobicContact CG1-CD2 4.48Å; I435-L444 HydrophobicContact CD1-CD2 3.51Å; I435-S458 CarbonylContact C-O 3.53Å; I435-S458 WeakPolarHBondContact CG1-O 3.18Å; I435-S458 PolarHBondContact N-O 3.38Å; I435-I459 HydrophobicContact CD1-CG2 3.74Å; I435-I459 HydrophobicContact CG1-CB 4.45Å; I435-I459 HydrophobicContact CG1-CG2 3.77Å; I435-C462 PolarHBondContact O-SG 2.89Å
436N92.4Very high93.5Very high20 Ų2047.2 Ų47.211%0.10724%0.243CC..  trans-56.7157.2179.852.7-80.2000112.4Q390 G413 E414 N438 S458 E460Q390-N436 PolarHBondContact NE2-ND2 3.08Å; G413-N436 CarbonylContact C-O 3.55Å; G413-N436 VanDerWaalsContact C-O 3.29Å; G413-N436 WeakPolarHBondContact CA-O 3.17Å; E414-N436 PolarHBondContact N-O 3.19Å; N436-N438 VanDerWaalsContact C-N 3.3Å; N436-N438 PolarHBondContact O-N 2.93Å; N436-S458 PolarHBondContact N-O 2.88Å; N436-S458 PolarHBondContact OD1-OG 3.14Å; N436-E460 CarbonylContact C-O 3.55Å; N436-E460 WeakPolarHBondContact CA-O 3.49Å; N436-E460 HydrophobicContact CB-CB 4.01Å; N436-E460 WeakPolarHBondContact CB-O 3.41Å
437D95.2Very high93.3Very high52 Ų5244.6 Ų44.628%0.27823%0.226SC..SBendtrans57.739.7175-54-77.5000113.3E414 N415 P439 E460 N461E414-D437 WeakPolarHBondContact CA-O 3.43Å; E414-D437 HydrophobicContact CB-CB 4.37Å; E414-D437 HydrophobicContact CG-CB 3.64Å; E414-D437 PolarHBondContact N-O 2.98Å; N415-D437 PolarHBondContact N-O 2.94Å; D437-P439 WeakPolarHBondContact O-CD 3.42Å; D437-E460 PolarHBondContact N-O 2.99Å; D437-N461 VanDerWaalsContact OD1-CB 3.22Å; D437-N461 WeakPolarHBondContact OD1-CB 3.48Å; D437-N461 PolarHBondContact OD1-ND2 3.22Å
438N95.9Very high92.9Very high0 Ų044.6 Ų44.60%023%0.226CC..  trans-104.792.9166.7-81-80.7000109.9V412 N415 N416 L417 I435 N436 S440 L441 P463V412-N438 PolarHBondContact O-ND2 3.14Å; N415-N438 WeakPolarHBondContact CA-OD1 3.24Å; N415-N438 VanDerWaalsContact CB-OD1 3.24Å; N415-N438 WeakPolarHBondContact CB-OD1 3.37Å; N415-N438 PolarHBondContact O-OD1 3.15Å; N415-N438 VanDerWaalsContact O-OD1 3.14Å; N416-N438 PolarHBondContact N-OD1 3.21Å; L417-N438 HydrophobicContact CB-CB 4.31Å; L417-N438 VanDerWaalsContact CB-OD1 3.24Å; L417-N438 WeakPolarHBondContact CB-OD1 3.42Å; L417-N438 VanDerWaalsContact CG-OD1 3.3Å; L417-N438 WeakPolarHBondContact CG-OD1 3.4Å; L417-N438 PolarHBondContact N-OD1 3.16Å; I435-N438 PolarHBondContact O-ND2 3.05Å; N436-N438 VanDerWaalsContact C-N 3.3Å; N436-N438 PolarHBondContact O-N 2.93Å; N438-S440 PolarHBondContact O-N 3Å; N438-S440 VanDerWaalsContact O-N 3.12Å; N438-L441 HydrophobicContact CB-CB 3.75Å; N438-L441 HydrophobicContact CB-CD2 4.22Å; N438-L441 WeakPolarHBondContact O-CB 3.24Å; N438-L441 PolarHBondContact O-N 3.32Å; N438-L441 VanDerWaalsContact O-N 3.11Å; N438-P463 WeakPolarHBondContact O-CD 3.38Å
439P94.2Very high92.6Very high78 Ų7838.9 Ų38.951%0.50620%0.203SC..THydrogen-bonded Turntrans-71.6-10.3-170.929.9-36.5000113.9N415 D437 P463N415-P439 WeakPolarHBondContact O-CD 3.19Å; D437-P439 WeakPolarHBondContact O-CD 3.42Å; P439-P463 VanDerWaalsContact O-CG 3.24Å; P439-P463 WeakPolarHBondContact O-CG 3.23Å
440S93.9Very high92.2Very high48 Ų4840.1 Ų40.134%0.33621%0.209SC..THydrogen-bonded Turntrans-100.5-1176.1-62.10000113.2L417 N438 H442L417-S440 CarbonylContact O-C 3.6Å; N438-S440 PolarHBondContact O-N 3Å; N438-S440 VanDerWaalsContact O-N 3.12Å; S440-H442 PolarHBondContact O-CE1 3.1Å; S440-H442 PolarHBondContact O-N 3.24Å; S440-H442 PolarHBondContact O-ND1 3.02Å
441L94.4Very high91.9Very high0 Ų040.2 Ų40.20%021%0.21CC..  trans-89.499.5-174.3-172.463.6000110.7L417 I435 N438 T443 L444 P463 L464L417-L441 WeakPolarHBondContact O-CA 3.23Å; L417-L441 WeakPolarHBondContact O-CB 3.24Å; L417-L441 PolarHBondContact O-N 2.89Å; L417-L441 VanDerWaalsContact O-N 3.1Å; I435-L441 HydrophobicContact CB-CD2 4.49Å; I435-L441 HydrophobicContact CD1-CD2 3.95Å; I435-L441 HydrophobicContact CG1-CD2 4.48Å; N438-L441 HydrophobicContact CB-CB 3.75Å; N438-L441 HydrophobicContact CB-CD2 4.22Å; N438-L441 WeakPolarHBondContact O-CB 3.24Å; N438-L441 PolarHBondContact O-N 3.32Å; N438-L441 VanDerWaalsContact O-N 3.11Å; L441-T443 WeakPolarHBondContact CD1-O 3.35Å; L441-L444 HydrophobicContact CD2-CD2 4.08Å; L441-P463 WeakPolarHBondContact O-CD 3.38Å; L441-L464 HydrophobicContact CG-CD2 4.21Å; L441-L464 WeakPolarHBondContact O-CD2 3.34Å
442H91.8Very high91.4Very high100 Ų10043.8 Ų43.846%0.46323%0.228SC..  trans-99-17.1-174-65.285.1000114.4S440 S465S440-H442 PolarHBondContact O-CE1 3.1Å; S440-H442 PolarHBondContact O-N 3.24Å; S440-H442 PolarHBondContact O-ND1 3.02Å; H442-S465 PolarHBondContact O-N 2.61Å; H442-S465 PolarHBondContact O-OG 3.13Å
443T90.3Very high91.2Very high76 Ų7644.3 Ų44.347%0.46623%0.233SC..  trans-144.2150.1-174.856.30000110.7L441L441-T443 WeakPolarHBondContact CD1-O 3.35Å
444L90.2Very high90.8Very high10 Ų1044.5 Ų44.55%0.05223%0.234CC..  trans-113142.3170.4-64.3177.6000109.5L420 I435 L441 L448 L464 P468 I471L420-L444 HydrophobicContact CD1-CD2 3.94Å; I435-L444 HydrophobicContact CD1-CD2 3.51Å; L441-L444 HydrophobicContact CD2-CD2 4.08Å; L444-L448 HydrophobicContact CB-CD1 4.04Å; L444-L448 HydrophobicContact CD1-CD1 4.46Å; L444-L448 HydrophobicContact CD2-CD1 4.23Å; L444-L448 HydrophobicContact CG-CD1 4.47Å; L444-L464 HydrophobicContact CD1-CD1 3.83Å; L444-L464 HydrophobicContact CD1-CD2 4.47Å; L444-L464 HydrophobicContact CD2-CD2 4.17Å; L444-L464 HydrophobicContact CG-CD1 4.14Å; L444-L464 HydrophobicContact CG-CD2 3.85Å; L444-P468 HydrophobicContact CB-CG 4.44Å; L444-P468 WeakPolarHBondContact O-CG 3.39Å; L444-I471 HydrophobicContact CB-CD1 4.16Å; L444-I471 HydrophobicContact CD1-CD1 4.44Å
445P91.4Very high90.4Very high17 Ų1745.9 Ų45.911%0.1124%0.243CC..  trans-67.4141.2173.327.7-32.9000110.6L420 V424 E447 L448L420-P445 HydrophobicContact CB-CG 3.98Å; V424-P445 HydrophobicContact CG1-CG 3.9Å; P445-E447 WeakPolarHBondContact CB-OE2 3.3Å; P445-E447 PolarHBondContact O-N 2.98Å; P445-L448 HydrophobicContact CG-CD1 4.2Å; P445-L448 HydrophobicContact CG-CG 4.19Å; P445-L448 PolarHBondContact O-N 3.15Å
446Y87.4Confident90Very high134 Ų13448 Ų4853%0.52525%0.254SS..G310 helixtrans-68.4-22.2-179.868.7-87.2000111.6L448 A449Y446-L448 PolarHBondContact O-N 2.86Å; Y446-L448 VanDerWaalsContact O-N 3.14Å; Y446-A449 VanDerWaalsContact O-CB 3.24Å; Y446-A449 WeakPolarHBondContact O-CB 3.38Å; Y446-A449 PolarHBondContact O-N 3.26Å
447E91.5Very high89.8Confident16 Ų1647 Ų478%0.07525%0.249CC..G310 helixtrans-58.6-21.4175-67.583.2175.300112.8E422 G425 P445 A449 L450E422-E447 HydrophobicContact CB-CG 4.13Å; E422-E447 VanDerWaalsContact O-CB 3.23Å; E422-E447 WeakPolarHBondContact O-CB 3.43Å; G425-E447 WeakPolarHBondContact CA-O 3.45Å; P445-E447 WeakPolarHBondContact CB-OE2 3.3Å; P445-E447 PolarHBondContact O-N 2.98Å; E447-A449 PolarHBondContact O-N 3.11Å; E447-A449 VanDerWaalsContact O-N 3.13Å; E447-L450 HydrophobicContact CB-CD1 4.25Å; E447-L450 HydrophobicContact CG-CD1 4.37Å; E447-L450 WeakPolarHBondContact O-CA 3.39Å; E447-L450 WeakPolarHBondContact O-CB 3.41Å; E447-L450 WeakPolarHBondContact O-CG 3.39Å; E447-L450 PolarHBondContact O-N 2.97Å
448L87.7Confident89.4Confident1 Ų145 Ų451%0.00524%0.238CC..G310 helixtrans-56.5-26.7170.6-84.2168.2000112.9L420 V424 L433 L444 P445 Y446 L450 C451 I471L420-L448 HydrophobicContact CD1-CD1 4.02Å; V424-L448 HydrophobicContact CB-CD2 4.39Å; V424-L448 HydrophobicContact CG1-CD2 3.58Å; V424-L448 HydrophobicContact CG1-CG 3.69Å; V424-L448 HydrophobicContact CG2-CD2 3.86Å; L433-L448 HydrophobicContact CD2-CD2 3.58Å; L444-L448 HydrophobicContact CB-CD1 4.04Å; L444-L448 HydrophobicContact CD1-CD1 4.46Å; L444-L448 HydrophobicContact CD2-CD1 4.23Å; L444-L448 HydrophobicContact CG-CD1 4.47Å; P445-L448 HydrophobicContact CG-CD1 4.2Å; P445-L448 HydrophobicContact CG-CG 4.19Å; P445-L448 PolarHBondContact O-N 3.15Å; Y446-L448 PolarHBondContact O-N 2.86Å; Y446-L448 VanDerWaalsContact O-N 3.14Å; L448-L450 PolarHBondContact O-N 2.55Å; L448-C451 WeakPolarHBondContact O-CB 3.44Å; L448-C451 PolarHBondContact O-N 3.1Å; L448-C451 VanDerWaalsContact O-N 3.15Å; L448-I471 HydrophobicContact CB-CD1 3.7Å; L448-I471 HydrophobicContact CB-CG1 4.09Å; L448-I471 HydrophobicContact CD1-CD1 4.09Å
449A84.2Confident88.9Confident23 Ų2345 Ų4519%0.1924%0.238CC..G310 helixtrans-64.8-17.7173.600000113Y446 E447 C451 E470 I471Y446-A449 VanDerWaalsContact O-CB 3.24Å; Y446-A449 WeakPolarHBondContact O-CB 3.38Å; Y446-A449 PolarHBondContact O-N 3.26Å; E447-A449 PolarHBondContact O-N 3.11Å; E447-A449 VanDerWaalsContact O-N 3.13Å; A449-C451 VanDerWaalsContact C-N 3.32Å; A449-E470 HydrophobicContact CB-CB 3.76Å; A449-I471 HydrophobicContact CB-CG1 4.25Å
450L87.8Confident88.5Confident103 Ų10344.1 Ų44.154%0.53923%0.228SC..G310 helixtrans-79.9-12.7176.6-54.5176000112.7G425 E447 L448 Q452G425-L450 WeakPolarHBondContact O-CB 3.1Å; E447-L450 HydrophobicContact CB-CD1 4.25Å; E447-L450 HydrophobicContact CG-CD1 4.37Å; E447-L450 WeakPolarHBondContact O-CA 3.39Å; E447-L450 WeakPolarHBondContact O-CB 3.41Å; E447-L450 WeakPolarHBondContact O-CG 3.39Å; E447-L450 PolarHBondContact O-N 2.97Å; L448-L450 PolarHBondContact O-N 2.55Å; L450-Q452 VanDerWaalsContact C-N 3.26Å; L450-Q452 PolarHBondContact O-N 3.12Å
451C88.6Confident88.1Confident2 Ų244.8 Ų44.81%0.01423%0.228CC..  trans-73.576.7173.6-63.70000110.6V424 L448 A449 A453 L454V424-C451 PolarHBondContact O-SG 2.9Å; L448-C451 WeakPolarHBondContact O-CB 3.44Å; L448-C451 PolarHBondContact O-N 3.1Å; L448-C451 VanDerWaalsContact O-N 3.15Å; A449-C451 VanDerWaalsContact C-N 3.32Å; C451-A453 PolarHBondContact O-N 3.07Å; C451-A453 VanDerWaalsContact O-N 3.15Å; C451-L454 HydrophobicContact CB-CB 3.94Å; C451-L454 HydrophobicContact CB-CD2 4.42Å; C451-L454 VanDerWaalsContact O-CB 3.23Å; C451-L454 WeakPolarHBondContact O-CB 3.37Å; C451-L454 PolarHBondContact O-N 2.76Å
452Q83.6Confident87.7Confident163 Ų16345.4 Ų45.476%0.76223%0.232SC*.THydrogen-bonded Turntrans-61.6-26.7-171.5-62.7179.811.400114.2L450 L454L450-Q452 VanDerWaalsContact C-N 3.26Å; L450-Q452 PolarHBondContact O-N 3.12Å; Q452-L454 VanDerWaalsContact C-N 3.34Å
453A89.6Confident87.6Confident30 Ų3043.3 Ų43.325%0.24823%0.227CC..THydrogen-bonded Turntrans-84.1-4.6177.600000113.7E428 L430 K431 C451 E455E428-A453 WeakPolarHBondContact O-CB 3.49Å; L430-A453 CarbonylContact O-C 3.54Å; K431-A453 WeakPolarHBondContact CA-O 3.23Å; K431-A453 HydrophobicContact CG-CB 4.45Å; C451-A453 PolarHBondContact O-N 3.07Å; C451-A453 VanDerWaalsContact O-N 3.15Å; A453-E455 PolarHBondContact O-N 3.42Å; A453-E455 VanDerWaalsContact O-N 3.16Å
454L87.2Confident87.4Confident4 Ų441 Ų412%0.02121%0.212CC..  trans-66.7117.9-173.6-163.766.7000109.8L430 L433 C451 Q452 M457 P476L430-L454 HydrophobicContact CD2-CD1 4.01Å; L430-L454 HydrophobicContact CG-CD1 3.87Å; L430-L454 WeakPolarHBondContact O-CA 3.23Å; L430-L454 PolarHBondContact O-N 3.14Å; L433-L454 HydrophobicContact CB-CD1 3.77Å; C451-L454 HydrophobicContact CB-CB 3.94Å; C451-L454 HydrophobicContact CB-CD2 4.42Å; C451-L454 VanDerWaalsContact O-CB 3.23Å; C451-L454 WeakPolarHBondContact O-CB 3.37Å; C451-L454 PolarHBondContact O-N 2.76Å; Q452-L454 VanDerWaalsContact C-N 3.34Å; L454-M457 HydrophobicContact CD2-CB 4.36Å; L454-M457 HydrophobicContact CD2-SD 4.41Å; L454-P476 HydrophobicContact CB-CB 4.03Å; L454-P476 HydrophobicContact CD2-CB 3.9Å; L454-P476 HydrophobicContact CD2-CG 3.78Å; L454-P476 HydrophobicContact CG-CB 3.75Å; L454-P476 HydrophobicContact CG-CG 4.21Å; L454-P476 WeakPolarHBondContact O-CA 3.24Å; L454-P476 WeakPolarHBondContact O-CB 3.42Å
455E86.5Confident86.9Confident86 Ų8644.7 Ų44.740%0.40224%0.238SC..  trans-104.3-41.4-177.6-71.7169.3-152.100110.2K431 A453 S477 L478K431-E455 IonicContact NZ-OE1 3.84Å; K431-E455 PolarHBondContact NZ-OE1 3.05Å; K431-E455 WeakPolarHBondContact O-CA 3.24Å; K431-E455 PolarHBondContact O-N 3.29Å; A453-E455 PolarHBondContact O-N 3.42Å; A453-E455 VanDerWaalsContact O-N 3.16Å; E455-S477 WeakPolarHBondContact CA-OG 3.17Å; E455-S477 PolarHBondContact O-OG 3.48Å; E455-L478 WeakPolarHBondContact O-CB 3.47Å; E455-L478 PolarHBondContact O-N 3.34Å
456I85.3Confident86.2Confident44 Ų4450.7 Ų50.723%0.22627%0.265CS..EExtended strand (participates in β ladder)trans-124.9127.2-174.6-57.4174.1000109.5K431 S432 L433 L478 I480K431-I456 PolarHBondContact O-N 3.19Å; S432-I456 WeakPolarHBondContact CA-O 3.4Å; L433-I456 PolarHBondContact N-O 3.15Å; I456-L478 WeakPolarHBondContact CA-O 3.48Å; I456-I480 HydrophobicContact CG2-CD1 4.13Å
457M88.1Confident85.7Confident0 Ų045.4 Ų45.40%025%0.245CC..EExtended strand (participates in β ladder)trans-130.5117.5168.7-169178.463.300110.5L433 L454 I459 I471 P476 L478 V479 I480L433-M457 HydrophobicContact CB-CG 4.43Å; L433-M457 HydrophobicContact CD2-CG 4.38Å; L433-M457 HydrophobicContact CD2-SD 4.47Å; L433-M457 CarbonylContact O-C 3.51Å; L433-M457 VanDerWaalsContact O-CA 3.28Å; L433-M457 WeakPolarHBondContact O-CA 3.39Å; L454-M457 HydrophobicContact CD2-CB 4.36Å; L454-M457 HydrophobicContact CD2-SD 4.41Å; M457-I459 HydrophobicContact CE-CG2 3.91Å; M457-I459 HydrophobicContact CG-CG2 3.82Å; M457-I459 HydrophobicContact SD-CG2 4.1Å; M457-I471 HydrophobicContact CE-CG2 4.09Å; M457-P476 HydrophobicContact CB-CB 4.42Å; M457-P476 HydrophobicContact CB-CG 3.86Å; M457-P476 HydrophobicContact CE-CG 4.21Å; M457-P476 HydrophobicContact SD-CG 4.42Å; M457-L478 PolarHBondContact N-O 3.15Å; M457-V479 HydrophobicContact CE-CG1 3.99Å; M457-V479 HydrophobicContact CE-CG2 3.94Å; M457-V479 WeakPolarHBondContact O-CA 3.33Å; M457-I480 PolarHBondContact O-N 3.28Å
458S87.5Confident85.1Confident9 Ų945.5 Ų45.56%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-99.5116.3175.5-176.10000110.2L433 I435 N436L433-S458 PolarHBondContact O-N 3.35Å; I435-S458 CarbonylContact C-O 3.53Å; I435-S458 WeakPolarHBondContact CG1-O 3.18Å; I435-S458 PolarHBondContact N-O 3.38Å; N436-S458 PolarHBondContact N-O 2.88Å; N436-S458 PolarHBondContact OD1-OG 3.14Å
459I85.7Confident84.5Confident0 Ų048.7 Ų48.70%027%0.268CS..  trans-125.516.4-177.162.9172.1000112.6I435 M457 C462 L464 I467 V479 I480 Q481I435-I459 HydrophobicContact CD1-CG2 3.74Å; I435-I459 HydrophobicContact CG1-CB 4.45Å; I435-I459 HydrophobicContact CG1-CG2 3.77Å; M457-I459 HydrophobicContact CE-CG2 3.91Å; M457-I459 HydrophobicContact CG-CG2 3.82Å; M457-I459 HydrophobicContact SD-CG2 4.1Å; I459-C462 PolarHBondContact O-N 2.87Å; I459-L464 HydrophobicContact CB-CD1 4.13Å; I459-L464 HydrophobicContact CD1-CD1 3.93Å; I459-I467 HydrophobicContact CD1-CD1 3.65Å; I459-I467 HydrophobicContact CD1-CG1 4.47Å; I459-V479 HydrophobicContact CD1-CG1 3.72Å; I459-V479 HydrophobicContact CG1-CG1 4.06Å; I459-I480 PolarHBondContact N-O 3.17Å; I459-I480 VanDerWaalsContact N-O 3.15Å; I459-Q481 HydrophobicContact CD1-CB 4.19Å; I459-Q481 HydrophobicContact CD1-CG 4.19Å; I459-Q481 HydrophobicContact CG1-CB 3.9Å; I459-Q481 HydrophobicContact CG1-CG 4.01Å
460E84.9Confident84.2Confident61 Ų6152.1 Ų52.129%0.28528%0.28SS..THydrogen-bonded Turntrans-55.5143.5179.7173.8165.4-162.800111.5N436 D437 C462 S482N436-E460 CarbonylContact C-O 3.55Å; N436-E460 WeakPolarHBondContact CA-O 3.49Å; N436-E460 HydrophobicContact CB-CB 4.01Å; N436-E460 WeakPolarHBondContact CB-O 3.41Å; D437-E460 PolarHBondContact N-O 2.99Å; E460-C462 PolarHBondContact O-N 3.41Å; E460-S482 WeakPolarHBondContact CG-OG 3.31Å; E460-S482 VanDerWaalsContact OE1-CB 3.3Å; E460-S482 WeakPolarHBondContact OE1-CB 3.23Å; E460-S482 PolarHBondContact OE1-OG 3.28Å
461N86.2Confident83.5Confident62 Ų6247.3 Ų47.333%0.33226%0.255SS..THydrogen-bonded Turntrans56.322.5179-58.1-31.3000116.2D437D437-N461 VanDerWaalsContact OD1-CB 3.22Å; D437-N461 WeakPolarHBondContact OD1-CB 3.48Å; D437-N461 PolarHBondContact OD1-ND2 3.22Å
462C86.8Confident82.5Confident13 Ų1348.9 Ų48.99%0.08827%0.265CS..  trans-96.6130.2166.5-63.60000110.4I435 I459 E460 L464I435-C462 PolarHBondContact O-SG 2.89Å; I459-C462 PolarHBondContact O-N 2.87Å; E460-C462 PolarHBondContact O-N 3.41Å; C462-L464 HydrophobicContact CB-CD1 4.35Å; C462-L464 HydrophobicContact CB-CD2 4.44Å; C462-L464 HydrophobicContact CB-CG 3.9Å; C462-L464 PolarHBondContact O-N 3.23Å
463P89.3Confident81.6Confident56 Ų5643 Ų4336%0.36424%0.244SC..  trans-78.154.9178.934.9-37.1000112N438 P439 L441 S465N438-P463 WeakPolarHBondContact O-CD 3.38Å; P439-P463 VanDerWaalsContact O-CG 3.24Å; P439-P463 WeakPolarHBondContact O-CG 3.23Å; L441-P463 WeakPolarHBondContact O-CD 3.38Å; P463-S465 PolarHBondContact O-N 3.02Å
464L85.1Confident80Confident28 Ų2843.8 Ų43.815%0.14726%0.255CS..  trans-66.6119.3180-63.9175.7000110.1L441 L444 I459 C462 I467L441-L464 HydrophobicContact CG-CD2 4.21Å; L441-L464 WeakPolarHBondContact O-CD2 3.34Å; L444-L464 HydrophobicContact CD1-CD1 3.83Å; L444-L464 HydrophobicContact CD1-CD2 4.47Å; L444-L464 HydrophobicContact CD2-CD2 4.17Å; L444-L464 HydrophobicContact CG-CD1 4.14Å; L444-L464 HydrophobicContact CG-CD2 3.85Å; I459-L464 HydrophobicContact CB-CD1 4.13Å; I459-L464 HydrophobicContact CD1-CD1 3.93Å; C462-L464 HydrophobicContact CB-CD1 4.35Å; C462-L464 HydrophobicContact CB-CD2 4.44Å; C462-L464 HydrophobicContact CB-CG 3.9Å; C462-L464 PolarHBondContact O-N 3.23Å; L464-I467 HydrophobicContact CD1-CG1 4.43Å
465S80.3Confident78.6Confident87 Ų8743.9 Ų43.961%0.60826%0.256SS*.SBendtrans-65.8-44.3176.454.90000111.7H442 P463H442-S465 PolarHBondContact O-N 2.61Å; H442-S465 PolarHBondContact O-OG 3.13Å; P463-S465 PolarHBondContact O-N 3.02Å
466Q76.5Confident77.2Confident143 Ų14339.8 Ų39.867%0.66824%0.238SC*.  trans-151.3150.7175.5-61.9-174.42.100109.5
467I77.2Confident75.7Confident22 Ų2240.2 Ų40.211%0.11324%0.244CC..  trans-95.8125.8166.3-58.8173.7000106.5I459 L464 I471 T472 W503I459-I467 HydrophobicContact CD1-CD1 3.65Å; I459-I467 HydrophobicContact CD1-CG1 4.47Å; L464-I467 HydrophobicContact CD1-CG1 4.43Å; I467-I471 HydrophobicContact CG2-CB 4.08Å; I467-I471 HydrophobicContact CG2-CD1 4.44Å; I467-I471 HydrophobicContact CG2-CG2 4.17Å; I467-T472 HydrophobicContact CB-CG2 4.35Å; I467-T472 HydrophobicContact CG2-CG2 3.89Å; I467-W503 HydrophobicContact CD1-CH2 4.15Å; I467-W503 HydrophobicContact CD1-CZ2 3.98Å; I467-W503 HydrophobicContact CG1-CZ2 4.29Å
468P78.1Confident74.1Confident19 Ų1943.1 Ų43.112%0.12326%0.259CS..  trans-48.8130.6176.6-2831.5000112.1L444 E470 I471 T472L444-P468 HydrophobicContact CB-CG 4.44Å; L444-P468 WeakPolarHBondContact O-CG 3.39Å; P468-E470 WeakPolarHBondContact CB-OE2 3.16Å; P468-E470 PolarHBondContact O-N 3.15Å; P468-E470 VanDerWaalsContact O-N 3.11Å; P468-I471 HydrophobicContact CB-CD1 4.16Å; P468-I471 HydrophobicContact CB-CG1 4.17Å; P468-I471 HydrophobicContact CG-CD1 3.92Å; P468-I471 HydrophobicContact CG-CG1 4.48Å; P468-I471 WeakPolarHBondContact O-CB 3.04Å; P468-I471 PolarHBondContact O-N 2.85Å; P468-T472 PolarHBondContact O-N 3.44Å
469P75.3Confident72.8Confident67 Ų6743 Ų4344%0.43526%0.259SS..Hα-helixtrans-53.7-32.8-179.2-27.635000113.6I471 T472 A473P469-I471 VanDerWaalsContact C-N 3.3Å; P469-I471 PolarHBondContact O-N 2.9Å; P469-T472 WeakPolarHBondContact CA-OG1 3.07Å; P469-T472 CarbonylContact O-C 3.32Å; P469-T472 PolarHBondContact O-N 3.07Å; P469-T472 PolarHBondContact O-OG1 2.99Å; P469-A473 VanDerWaalsContact O-CB 3.31Å; P469-A473 WeakPolarHBondContact O-CB 3.48Å; P469-A473 PolarHBondContact O-N 3.23Å
470E78.1Confident71.3Confident96 Ų9645.3 Ų45.345%0.44927%0.27SS..Hα-helixtrans-57.6-42.1177.6-62.873.3-161.600111.4A449 P468 T472 A473 G474A449-E470 HydrophobicContact CB-CB 3.76Å; P468-E470 WeakPolarHBondContact CB-OE2 3.16Å; P468-E470 PolarHBondContact O-N 3.15Å; P468-E470 VanDerWaalsContact O-N 3.11Å; E470-T472 VanDerWaalsContact C-N 3.33Å; E470-A473 PolarHBondContact O-N 3.14Å; E470-G474 PolarHBondContact O-N 3.28Å; E470-G474 VanDerWaalsContact O-N 3.14Å
471I73Confident69.6Low2 Ų244 Ų441%0.0126%0.264CS..Hα-helixtrans-67.8-36.7176.8-58.1177.3000110L444 L448 A449 M457 I467 P468 P469 G475L444-I471 HydrophobicContact CB-CD1 4.16Å; L444-I471 HydrophobicContact CD1-CD1 4.44Å; L448-I471 HydrophobicContact CB-CD1 3.7Å; L448-I471 HydrophobicContact CB-CG1 4.09Å; L448-I471 HydrophobicContact CD1-CD1 4.09Å; A449-I471 HydrophobicContact CB-CG1 4.25Å; M457-I471 HydrophobicContact CE-CG2 4.09Å; I467-I471 HydrophobicContact CG2-CB 4.08Å; I467-I471 HydrophobicContact CG2-CD1 4.44Å; I467-I471 HydrophobicContact CG2-CG2 4.17Å; P468-I471 HydrophobicContact CB-CD1 4.16Å; P468-I471 HydrophobicContact CB-CG1 4.17Å; P468-I471 HydrophobicContact CG-CD1 3.92Å; P468-I471 HydrophobicContact CG-CG1 4.48Å; P468-I471 WeakPolarHBondContact O-CB 3.04Å; P468-I471 PolarHBondContact O-N 2.85Å; P469-I471 VanDerWaalsContact C-N 3.3Å; P469-I471 PolarHBondContact O-N 2.9Å; I471-G475 WeakPolarHBondContact O-CA 3.24Å; I471-G475 PolarHBondContact O-N 3.2Å
472T67.9Low67.5Low35 Ų3542 Ų4222%0.21526%0.255CS..Hα-helixtrans-79.5-23.2178.763.40000114.2I467 P468 P469 E470 V494I467-T472 HydrophobicContact CB-CG2 4.35Å; I467-T472 HydrophobicContact CG2-CG2 3.89Å; P468-T472 PolarHBondContact O-N 3.44Å; P469-T472 WeakPolarHBondContact CA-OG1 3.07Å; P469-T472 CarbonylContact O-C 3.32Å; P469-T472 PolarHBondContact O-N 3.07Å; P469-T472 PolarHBondContact O-OG1 2.99Å; E470-T472 VanDerWaalsContact C-N 3.33Å; T472-V494 WeakPolarHBondContact O-CG1 3.4Å
473A64.9Low65.2Low40 Ų4042.9 Ų42.933%0.33127%0.266SS..Hα-helixtrans-88.9-30.6-177.200000112.6P469 E470P469-A473 VanDerWaalsContact O-CB 3.31Å; P469-A473 WeakPolarHBondContact O-CB 3.48Å; P469-A473 PolarHBondContact O-N 3.23Å; E470-A473 PolarHBondContact O-N 3.14Å
474G56.1Low62.7Low46 Ų4649.3 Ų49.347%0.47428%0.284SS..Hα-helixtrans-143.65.5-176.300000115.9E470E470-G474 PolarHBondContact O-N 3.28Å; E470-G474 VanDerWaalsContact O-N 3.14Å
475G57.8Low60.2Low5 Ų553 Ų535%0.05231%0.308CS..SBendtrans-83.8-152.4-177.500000114.5I471I471-G475 WeakPolarHBondContact O-CA 3.24Å; I471-G475 PolarHBondContact O-N 3.2Å
476P57.4Low58Low1 Ų155.3 Ų55.31%0.00631%0.313CS..  trans-64.9145-164.123.8-32.9000114.5L454 M457 L478 V479L454-P476 HydrophobicContact CB-CB 4.03Å; L454-P476 HydrophobicContact CD2-CB 3.9Å; L454-P476 HydrophobicContact CD2-CG 3.78Å; L454-P476 HydrophobicContact CG-CB 3.75Å; L454-P476 HydrophobicContact CG-CG 4.21Å; L454-P476 WeakPolarHBondContact O-CA 3.24Å; L454-P476 WeakPolarHBondContact O-CB 3.42Å; M457-P476 HydrophobicContact CB-CB 4.42Å; M457-P476 HydrophobicContact CB-CG 3.86Å; M457-P476 HydrophobicContact CE-CG 4.21Å; M457-P476 HydrophobicContact SD-CG 4.42Å; P476-L478 PolarHBondContact O-N 2.83Å; P476-V479 HydrophobicContact CG-CG2 3.91Å
477S54.3Low55.9Low52 Ų5255.8 Ų55.836%0.36432%0.321SS..SBendtrans-61.3-28-17945.60000114.1E455 S493 V494E455-S477 WeakPolarHBondContact CA-OG 3.17Å; E455-S477 PolarHBondContact O-OG 3.48Å; S477-S493 WeakPolarHBondContact O-CA 3.43Å; S477-V494 PolarHBondContact O-N 2.85Å
478L54.7Low53.6Low61 Ų6160.9 Ų60.932%0.31935%0.345SS..EExtended strand (participates in β ladder)trans-135.4113.1-179.4-172.168.7000110.3E455 I456 M457 P476 I480E455-L478 WeakPolarHBondContact O-CB 3.47Å; E455-L478 PolarHBondContact O-N 3.34Å; I456-L478 WeakPolarHBondContact CA-O 3.48Å; M457-L478 PolarHBondContact N-O 3.15Å; P476-L478 PolarHBondContact O-N 2.83Å; L478-I480 HydrophobicContact CD2-CD1 4.2Å; L478-I480 HydrophobicContact CD2-CG1 4.13Å; L478-I480 HydrophobicContact CG-CG1 4.07Å
479V58.8Low51.6Low8 Ų865 Ų655%0.04837%0.37CS..EExtended strand (participates in β ladder)trans-103.8112.6169.3-177.80000107.8M457 I459 P476 F492 V494M457-V479 HydrophobicContact CE-CG1 3.99Å; M457-V479 HydrophobicContact CE-CG2 3.94Å; M457-V479 WeakPolarHBondContact O-CA 3.33Å; I459-V479 HydrophobicContact CD1-CG1 3.72Å; I459-V479 HydrophobicContact CG1-CG1 4.06Å; P476-V479 HydrophobicContact CG-CG2 3.91Å; V479-F492 HydrophobicContact CB-CB 4.4Å; V479-F492 PolarHBondContact N-O 3.06Å; V479-F492 PolarHBondContact O-N 2.82Å; V479-F492 VanDerWaalsContact O-O 3.1Å; V479-V494 HydrophobicContact CG2-CG2 3.88Å
480I54.4Low49.9Very low47 Ų4766.3 Ų66.324%0.24137%0.366CS..EExtended strand (participates in β ladder)trans-90.6112176.8-56.1174.7000107.2I456 M457 I459 L478I456-I480 HydrophobicContact CG2-CD1 4.13Å; M457-I480 PolarHBondContact O-N 3.28Å; I459-I480 PolarHBondContact N-O 3.17Å; I459-I480 VanDerWaalsContact N-O 3.15Å; L478-I480 HydrophobicContact CD2-CD1 4.2Å; L478-I480 HydrophobicContact CD2-CG1 4.13Å; L478-I480 HydrophobicContact CG-CG1 4.07Å
481Q50.5Low48Very low35 Ų3564.7 Ų64.716%0.16436%0.364CS..EExtended strand (participates in β ladder)trans-138.8100175.7-171.7-179.417.600109I459 R490 F492I459-Q481 HydrophobicContact CD1-CB 4.19Å; I459-Q481 HydrophobicContact CD1-CG 4.19Å; I459-Q481 HydrophobicContact CG1-CB 3.9Å; I459-Q481 HydrophobicContact CG1-CG 4.01Å; Q481-R490 CarbonylContact C-O 3.49Å; Q481-R490 CarbonylContact O-C 3.31Å; Q481-F492 HydrophobicContact CB-CD2 4.2Å; Q481-F492 HydrophobicContact CB-CE2 4.28Å
482S41.3Very low46.7Very low20 Ų2065.7 Ų65.714%0.1437%0.369CS..EExtended strand (participates in β ladder)trans-70.3133.6164.692.80000108.2E460E460-S482 WeakPolarHBondContact CG-OG 3.31Å; E460-S482 VanDerWaalsContact OE1-CB 3.3Å; E460-S482 WeakPolarHBondContact OE1-CB 3.23Å; E460-S482 PolarHBondContact OE1-OG 3.28Å
483G39.4Very low45.4Very low30 Ų3067 Ų6731%0.30938%0.379SS..EExtended strand (participates in β ladder)trans-116.9130.7178.600000109.8V485G483-V485 PolarHBondContact O-N 3.49Å
484Y35.5Very low44.4Very low191 Ų19166.1 Ų66.175%0.74937%0.37SS*.THydrogen-bonded Turntrans-71.638.5175.8-87.8-83.6000114.3
485V33.2Very low43.6Very low107 Ų10767.5 Ų67.565%0.64837%0.37SS*.THydrogen-bonded Turntrans-108.290.9164.1-168.10000107.4G483G483-V485 PolarHBondContact O-N 3.49Å
486N34.4Very low42.8Very low135 Ų13573.5 Ų73.572%0.72240%0.395SS*.THydrogen-bonded Turntrans71.946.1172.8-57.4-29.3000117.4M488N486-M488 PolarHBondContact O-N 3.3Å
487N31.8Very low42Very low153 Ų15381 Ų8182%0.81844%0.435SS*.THydrogen-bonded Turntrans52.533.5168.9-71.3-7.3000114.9
488M28.1Very low41.1Very low128 Ų12879.7 Ų79.763%0.63143%0.428SS*.EExtended strand (participates in β ladder)trans-111120.4172.1-78.8-171.7-121.800110.7N486 R490N486-M488 PolarHBondContact O-N 3.3Å; M488-R490 PolarHBondContact O-N 3.28Å
489V36.2Very low40.3Very low105 Ų10579.5 Ų79.564%0.63644%0.44SS*.EExtended strand (participates in β ladder)trans-63.4113.4165.1-179.50000107.6
490R39.8Very low39.2Very low96 Ų9684.9 Ų84.936%0.36247%0.473SS..EExtended strand (participates in β ladder)trans-95.993.3172.8-72.8-170.9178.3-167.1-2108.9Q481 M488 F492Q481-R490 CarbonylContact C-O 3.49Å; Q481-R490 CarbonylContact O-C 3.31Å; M488-R490 PolarHBondContact O-N 3.28Å; R490-F492 HydrophobicContact CB-CD2 4.45Å; R490-F492 HydrophobicContact CB-CE1 4.43Å; R490-F492 HydrophobicContact CB-CE2 3.86Å; R490-F492 HydrophobicContact CB-CZ 3.86Å; R490-F492 HydrophobicContact CG-CZ 4.48Å; R490-F492 PolarHBondContact O-N 3.3Å
491C38.8Very low38.3Very low61 Ų6186 Ų8641%0.41248%0.479SS..EExtended strand (participates in β ladder)trans-72.6113.4165-62.90000108.1
492F44.7Very low37.7Very low24 Ų2487.7 Ų87.711%0.10550%0.495CS..EExtended strand (participates in β ladder)trans-92.5106.3170.5-62.8-71.7000107.9V479 Q481 R490 V494 W503 I506V479-F492 HydrophobicContact CB-CB 4.4Å; V479-F492 PolarHBondContact N-O 3.06Å; V479-F492 PolarHBondContact O-N 2.82Å; V479-F492 VanDerWaalsContact O-O 3.1Å; Q481-F492 HydrophobicContact CB-CD2 4.2Å; Q481-F492 HydrophobicContact CB-CE2 4.28Å; R490-F492 HydrophobicContact CB-CD2 4.45Å; R490-F492 HydrophobicContact CB-CE1 4.43Å; R490-F492 HydrophobicContact CB-CE2 3.86Å; R490-F492 HydrophobicContact CB-CZ 3.86Å; R490-F492 HydrophobicContact CG-CZ 4.48Å; R490-F492 PolarHBondContact O-N 3.3Å; F492-V494 PolarHBondContact O-N 3.43Å; F492-W503 HydrophobicContact CE2-CZ3 4.2Å; F492-W503 HydrophobicContact CZ-CZ3 4.05Å; F492-I506 HydrophobicContact CD1-CB 4.45Å; F492-I506 HydrophobicContact CD1-CG2 3.26Å; F492-I506 HydrophobicContact CE1-CB 4.18Å; F492-I506 HydrophobicContact CE1-CG2 3.4Å; F492-I506 HydrophobicContact CG-CG2 4.42Å
493S41.2Very low37.5Very low61 Ų6192.8 Ų92.843%0.42751%0.511SS..  trans-76.9113157.967.40000106.6S477 P495S477-S493 WeakPolarHBondContact O-CA 3.43Å; S493-P495 VanDerWaalsContact O-CD 3.23Å; S493-P495 WeakPolarHBondContact O-CD 2.93Å
494V44.6Very low37.3Very low23 Ų2399.3 Ų99.314%0.13953%0.533CS..  trans-83.2109.2171.4-1800000106.4T472 S477 V479 F492 K496T472-V494 WeakPolarHBondContact O-CG1 3.4Å; S477-V494 PolarHBondContact O-N 2.85Å; V479-V494 HydrophobicContact CG2-CG2 3.88Å; F492-V494 PolarHBondContact O-N 3.43Å; V494-K496 PolarHBondContact O-N 3.01Å
495P38Very low37.2Very low74 Ų7493 Ų9348%0.48152%0.517SS..  trans-67.9134.2176-8.224.9000107.9S493 N497 A498S493-P495 VanDerWaalsContact O-CD 3.23Å; S493-P495 WeakPolarHBondContact O-CD 2.93Å; P495-N497 PolarHBondContact O-N 3.39Å; P495-A498 HydrophobicContact CG-CB 4.42Å; P495-A498 PolarHBondContact O-N 3.14Å
496K42.3Very low37.4Very low131 Ų13189.7 Ų89.757%0.5750%0.495SS*.THydrogen-bonded Turntrans-57.716.1-176.7-87.3-167.3172.3-171.50116.8V494V494-K496 PolarHBondContact O-N 3.01Å
497N39.8Very low37.4Very low159 Ų15985.8 Ų85.885%0.8548%0.479SS*.THydrogen-bonded Turntrans-153.720.5178.2-82.6-39.4000114.5P495 G499P495-N497 PolarHBondContact O-N 3.39Å; N497-G499 PolarHBondContact O-N 3.44Å
498A36.3Very low37.2Very low25 Ų2588 Ų8821%0.20748%0.477CS..  trans-85.6105.7178.500000110.4P495 L501P495-A498 HydrophobicContact CG-CB 4.42Å; P495-A498 PolarHBondContact O-N 3.14Å; A498-L501 HydrophobicContact CB-CD1 3.8Å
499G37.2Very low37.4Very low57 Ų5786.1 Ų86.159%0.58848%0.476SS*.  trans-53.1153.3171.600000112.2N497 L501N497-G499 PolarHBondContact O-N 3.44Å; G499-L501 PolarHBondContact O-N 3.11Å
500T36.4Very low37.2Very low120 Ų12083.3 Ų83.374%0.73646%0.463SS*.  trans-17.182.9-179.2440000115.5S502T500-S502 PolarHBondContact O-N 2.8Å
501L35Very low36.8Very low71 Ų7183.9 Ų83.937%0.37248%0.481SS..  trans-81.4109.4172.8-77163.4000108.3A498 G499 I506A498-L501 HydrophobicContact CB-CD1 3.8Å; G499-L501 PolarHBondContact O-N 3.11Å; L501-I506 HydrophobicContact CB-CD1 3.95Å; L501-I506 HydrophobicContact CB-CG1 3.64Å; L501-I506 HydrophobicContact CD1-CG1 4.14Å; L501-I506 HydrophobicContact CG-CG1 4.37Å
502S37.4Very low36.4Very low71 Ų7186.1 Ų86.150%0.49749%0.492SS..  trans-61.3145.4162.278.80000109.2T500 H504 S505T500-S502 PolarHBondContact O-N 2.8Å; S502-H504 PolarHBondContact O-N 3.22Å; S502-S505 WeakPolarHBondContact O-CB 3.47Å; S502-S505 PolarHBondContact O-N 2.69Å
503W38.1Very low35.8Very low126 Ų12687.9 Ų87.948%0.47751%0.505SS..Hα-helixtrans-47.2-28.1-174.7-81.695.1000115.6I467 F492 S505I467-W503 HydrophobicContact CD1-CH2 4.15Å; I467-W503 HydrophobicContact CD1-CZ2 3.98Å; I467-W503 HydrophobicContact CG1-CZ2 4.29Å; F492-W503 HydrophobicContact CE2-CZ3 4.2Å; F492-W503 HydrophobicContact CZ-CZ3 4.05Å; W503-S505 VanDerWaalsContact C-N 3.32Å; W503-S505 PolarHBondContact O-N 2.77Å
504H34.7Very low35.4Very low167 Ų16788.4 Ų88.477%0.77351%0.513SS*.Hα-helixtrans-67.8-30.1177.4-71.685.4000113.1S502S502-H504 PolarHBondContact O-N 3.22Å
505S34.2Very low34.7Very low58 Ų5892.9 Ų92.941%0.40654%0.54SS..Hα-helixtrans-82.8-22.6-174.8-54.40000113.2S502 W503 S507S502-S505 WeakPolarHBondContact O-CB 3.47Å; S502-S505 PolarHBondContact O-N 2.69Å; W503-S505 VanDerWaalsContact C-N 3.32Å; W503-S505 PolarHBondContact O-N 2.77Å; S505-S507 VanDerWaalsContact C-N 3.32Å; S505-S507 PolarHBondContact O-N 2.92Å
506I37.1Very low34.4Very low38 Ų3897.8 Ų97.820%0.19556%0.555CS.*Hα-helixtrans-77.3-22.4-177.7-49.5-178.4000111.6F492 L501 Y508 C509F492-I506 HydrophobicContact CD1-CB 4.45Å; F492-I506 HydrophobicContact CD1-CG2 3.26Å; F492-I506 HydrophobicContact CE1-CB 4.18Å; F492-I506 HydrophobicContact CE1-CG2 3.4Å; F492-I506 HydrophobicContact CG-CG2 4.42Å; L501-I506 HydrophobicContact CB-CD1 3.95Å; L501-I506 HydrophobicContact CB-CG1 3.64Å; L501-I506 HydrophobicContact CD1-CG1 4.14Å; L501-I506 HydrophobicContact CG-CG1 4.37Å; I506-Y508 PolarHBondContact O-N 3.23Å; I506-C509 PolarHBondContact O-N 2.97Å
507S33Very low33.8Very low54 Ų5496.4 Ų96.438%0.37856%0.557SS.*THydrogen-bonded Turntrans-56.7-23.8177-172.30000113.9S505S505-S507 VanDerWaalsContact C-N 3.32Å; S505-S507 PolarHBondContact O-N 2.92Å
508Y29.1Very low33.2Very low200 Ų200100.1 Ų100.178%0.78456%0.559SS**THydrogen-bonded Turntrans-89.3-23.6-175.8-95.6-88.2000114.5I506 A510I506-Y508 PolarHBondContact O-N 3.23Å; Y508-A510 VanDerWaalsContact C-N 3.31Å; Y508-A510 PolarHBondContact O-N 3.03Å
509C30.9Very low32.9Very low88 Ų88104.6 Ų104.660%0.59559%0.586SS**THydrogen-bonded Turntrans-75.6-20.6176.8-83.60000113I506 C511 V512I506-C509 PolarHBondContact O-N 2.97Å; C509-C511 PolarHBondContact O-N 2.82Å; C509-C511 VanDerWaalsContact O-N 3.17Å; C509-V512 PolarHBondContact O-N 3.5Å
510A33.5Very low32.6Very low45 Ų45109.5 Ų109.537%0.37260%0.598SS.*Hα-helixtrans-62-22.9-178.100000114.2Y508 V512Y508-A510 VanDerWaalsContact C-N 3.31Å; Y508-A510 PolarHBondContact O-N 3.03Å; A510-V512 VanDerWaalsContact C-N 3.26Å; A510-V512 PolarHBondContact O-N 3.46Å
511C30.2Very low32.3Very low108 Ų108110.1 Ų110.173%0.7360%0.601SS**Hα-helixtrans-69.8-16.8-179.8-78.10000114.4C509C509-C511 PolarHBondContact O-N 2.82Å; C509-C511 VanDerWaalsContact O-N 3.17Å
512V30.6Very low31.8Very low109 Ų109117.8 Ų117.866%0.66163%0.625SS**Hα-helixtrans-94.8-23.8-174-175.40000113.1C509 A510 T515C509-V512 PolarHBondContact O-N 3.5Å; A510-V512 VanDerWaalsContact C-N 3.26Å; A510-V512 PolarHBondContact O-N 3.46Å; V512-T515 PolarHBondContact O-OG1 2.82Å
513V32.5Very low31.7Very low60 Ų60120.1 Ų120.136%0.36464%0.639SS.*Hα-helixtrans-89.8-21.7-175.6-174.60000112.8T515 F516V513-T515 PolarHBondContact O-N 3.34Å; V513-F516 PolarHBondContact O-N 2.87Å; V513-F516 VanDerWaalsContact O-N 3.15Å
514A31.6Very low31.4Very low72 Ų72127.7 Ų127.760%0.59568%0.676SS**THydrogen-bonded Turntrans-60.8-18.4-178.400000114.3
515T31.1Very low31.2Very low117 Ų117125.8 Ų125.872%0.71867%0.671SS**THydrogen-bonded Turntrans-82-11.2178.4200000115.1V512 V513V512-T515 PolarHBondContact O-OG1 2.82Å; V513-T515 PolarHBondContact O-N 3.34Å
516F32.4Very low31.1Very low178 Ų178129.3 Ų129.378%0.78169%0.685SS**THydrogen-bonded Turntrans-108.8-11.3-174-85.6-80.5000116.6V513V513-F516 PolarHBondContact O-N 2.87Å; V513-F516 VanDerWaalsContact O-N 3.15Å
517V29.3Very low30.8Very low101 Ų101134.4 Ų134.461%0.61271%0.712SS**SBendtrans-110.34.2-172.3-167.30000114
518W27.6Very low30.6Very low238 Ų238139.1 Ų139.190%0.90273%0.731SS**G310 helixtrans-73-8.1-177.4-107.938.3000119.4L520W518-L520 PolarHBondContact O-N 3.31Å
519P29.9Very low30.7Very low118 Ų118135.3 Ų135.377%0.76673%0.728SS**G310 helixtrans-87.17.9179.518.8-8.7000116.9
520L31.2Very low30.7Very low160 Ų160138.5 Ų138.584%0.83874%0.737SS**G310 helixtrans-114.54.3-175.6-84.9164.8000117.5W518W518-L520 PolarHBondContact O-N 3.31Å
521V28.3Very low30.5Very low134 Ų134145.1 Ų145.181%0.81276%0.763SS**  trans-109.193.5171.8-171.80000108.8
522R26.1Very low30.5Very low231 Ų231148 Ų14887%0.87277%0.766SS**  trans-69.7133.4164.5-74.2-171179-1680.9108.3
523P35Very low30.5Very low121 Ų121151.3 Ų151.379%0.78678%0.775SS**  trans-72.2137.2176.430-30.2000109.5
524F31.5Very low30.3Very low285 Ų285159.5 Ų159.5100%1.2581%0.812SS**  trans-60.20163.6-81-83.8000111.2

Retrieved 524 of 524 residues in 271.3 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).